smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CC(=O)CO4)CC3)c2c1C ZINC001164388337 718827785 /nfs/dbraw/zinc/82/77/85/718827785.db2.gz AQABKBCEMARKPO-UHFFFAOYSA-N 0 0 400.548 3.232 20 0 HGADRN O=C1Nc2ccccc2[C@H]2CN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@H]12 ZINC001164403210 718856574 /nfs/dbraw/zinc/85/65/74/718856574.db2.gz ICJILAXKQTZMQO-RTWAWAEBSA-N 0 0 411.509 3.207 20 0 HGADRN C(c1nc2sc3c(c2c(N2CC[C@@H]4CCCO[C@H]4C2)n1)CCC3)N1CCOCC1 ZINC001164421097 718902244 /nfs/dbraw/zinc/90/22/44/718902244.db2.gz ORTGNXIWKRVRLK-RDJZCZTQSA-N 0 0 414.575 3.018 20 0 HGADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164434817 718972369 /nfs/dbraw/zinc/97/23/69/718972369.db2.gz VUPHYAHDORQHSA-KDOFPFPSSA-N 0 0 411.836 3.377 20 0 HGADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164435018 718975276 /nfs/dbraw/zinc/97/52/76/718975276.db2.gz XOFYJGOKWQUEMP-MAUKXSAKSA-N 0 0 411.836 3.377 20 0 HGADRN C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC001164636476 719238882 /nfs/dbraw/zinc/23/88/82/719238882.db2.gz TUWSCDWGBIDRFK-UONOGXRCSA-N 0 0 417.560 3.021 20 0 HGADRN Cc1nc(Cl)cc(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC001164645149 719292642 /nfs/dbraw/zinc/29/26/42/719292642.db2.gz CWFARTZFKCBKFS-DAYGRLMNSA-N 0 0 410.852 3.331 20 0 HGADRN Nc1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cnc1Cl ZINC001164648795 719294663 /nfs/dbraw/zinc/29/46/63/719294663.db2.gz GAHBMGFJNRDESB-BBWFWOEESA-N 0 0 410.852 3.210 20 0 HGADRN COc1ccc(C(F)(F)N2CC[C@@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)c(Cl)n1 ZINC001164648006 719298750 /nfs/dbraw/zinc/29/87/50/719298750.db2.gz FPXVBUGMYWLFHG-RAIGVLPGSA-N 0 0 400.813 3.336 20 0 HGADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@H]3O2)n1 ZINC001164649881 719300099 /nfs/dbraw/zinc/30/00/99/719300099.db2.gz HZJGGYKKGGYTOV-KXUCPTDWSA-N 0 0 403.842 3.012 20 0 HGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164654230 719303477 /nfs/dbraw/zinc/30/34/77/719303477.db2.gz QTGZNBURTTYSLS-SGIREYDYSA-N 0 0 403.832 3.025 20 0 HGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)C[C@H]2CCCO[C@@H]21 ZINC001164656130 719303514 /nfs/dbraw/zinc/30/35/14/719303514.db2.gz WFQSVDXFRXXKFT-DWQUBVKVSA-N 0 0 424.879 3.367 20 0 HGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)C[C@H]2CCCO[C@@H]21 ZINC001164646847 719303526 /nfs/dbraw/zinc/30/35/26/719303526.db2.gz CBGRSRIKUNXLIO-KFNAQCHYSA-N 0 0 403.832 3.025 20 0 HGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2F)C[C@H]2CCCO[C@H]21 ZINC001164647928 719303588 /nfs/dbraw/zinc/30/35/88/719303588.db2.gz FGULXZPNHWTWSG-JDSLSITLSA-N 0 0 403.832 3.025 20 0 HGADRN CC(C)n1nc(CN(C)C)c2c1CN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CC2 ZINC001164650441 719314959 /nfs/dbraw/zinc/31/49/59/719314959.db2.gz DLQCWNXBSRLLNY-SFHVURJKSA-N 0 0 424.593 3.355 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)C[C@H]2CCCO[C@@H]21 ZINC001164654834 719324686 /nfs/dbraw/zinc/32/46/86/719324686.db2.gz NALMJJSTGLUJLE-VMGRFDJRSA-N 0 0 417.859 3.319 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)C[C@@H]2CCCO[C@H]12 ZINC001164652098 719324702 /nfs/dbraw/zinc/32/47/02/719324702.db2.gz BIFHMUZXDMWDFJ-QEORTHHSSA-N 0 0 417.859 3.319 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)C[C@H]2CCCO[C@@H]21 ZINC001164652096 719324771 /nfs/dbraw/zinc/32/47/71/719324771.db2.gz BIFHMUZXDMWDFJ-MRRJBJDNSA-N 0 0 417.859 3.319 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)Oc2ccnc(Cl)c2)C[C@@H]2CCCO[C@H]12 ZINC001164654745 719326260 /nfs/dbraw/zinc/32/62/60/719326260.db2.gz MSWVTJOADGDLNZ-JOQOYGCGSA-N 0 0 415.868 3.060 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)Oc2ccnc(Cl)c2)C[C@H]2CCCO[C@H]21 ZINC001164654740 719326528 /nfs/dbraw/zinc/32/65/28/719326528.db2.gz MSWVTJOADGDLNZ-DDUZABMNSA-N 0 0 415.868 3.060 20 0 HGADRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001164665490 719361399 /nfs/dbraw/zinc/36/13/99/719361399.db2.gz XPGPDFBSBXOWHV-NSHDSACASA-N 0 0 424.839 3.070 20 0 HGADRN CCOC(=O)c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1 ZINC001164667646 719493091 /nfs/dbraw/zinc/49/30/91/719493091.db2.gz LTLGORYFRJXFMK-UHFFFAOYSA-N 0 0 413.493 3.269 20 0 HGADRN Cc1nc2ccc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)nc2n1C ZINC001164671155 719508131 /nfs/dbraw/zinc/50/81/31/719508131.db2.gz BULXFKWGYQUYMO-UHFFFAOYSA-N 0 0 409.509 3.287 20 0 HGADRN Cc1noc(-c2ccnc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c2)n1 ZINC001164670281 719523671 /nfs/dbraw/zinc/52/36/71/719523671.db2.gz CQIJHJDBZLFXLI-UHFFFAOYSA-N 0 0 423.492 3.451 20 0 HGADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164676828 719563266 /nfs/dbraw/zinc/56/32/66/719563266.db2.gz GMOPQGFWDCMOBP-UHFFFAOYSA-N 0 0 401.204 3.124 20 0 HGADRN Cc1cc(C(F)(F)N2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)nc(Cl)n1 ZINC001164682623 719596907 /nfs/dbraw/zinc/59/69/07/719596907.db2.gz CMLGTFHDKYORPO-CYBMUJFWSA-N 0 0 420.851 3.295 20 0 HGADRN Cn1ncc2c1CN([C@H](F)Oc1cccc(Cl)n1)C[C@@H]2COc1cccnc1 ZINC001164682454 719597482 /nfs/dbraw/zinc/59/74/82/719597482.db2.gz BXIJKFNHAFPRAQ-YJYMSZOUSA-N 0 0 403.845 3.174 20 0 HGADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164695128 719787514 /nfs/dbraw/zinc/78/75/14/719787514.db2.gz IWKQXZKYBRJTTQ-UHFFFAOYSA-N 0 0 424.839 3.187 20 0 HGADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@H]2OCCN(c3ncccn3)[C@@H]2C1 ZINC001164694227 719797295 /nfs/dbraw/zinc/79/72/95/719797295.db2.gz DJTYRXFNMRLWIC-IAGOWNOFSA-N 0 0 417.847 3.317 20 0 HGADRN FC(F)(c1cccc2c(Cl)nccc21)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164692345 719800004 /nfs/dbraw/zinc/80/00/04/719800004.db2.gz NEUQFZDVNYITBA-IRXDYDNUSA-N 0 0 417.847 3.317 20 0 HGADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@H]2OCCN(c3ncccn3)[C@@H]2C1 ZINC001164693880 719800067 /nfs/dbraw/zinc/80/00/67/719800067.db2.gz VORYWXXDTGCTLY-IAGOWNOFSA-N 0 0 417.847 3.317 20 0 HGADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1C[C@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164692978 719801594 /nfs/dbraw/zinc/80/15/94/719801594.db2.gz QZDNRWLDLNKCRQ-DLBZAZTESA-N 0 0 417.847 3.317 20 0 HGADRN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001164695359 719834462 /nfs/dbraw/zinc/83/44/62/719834462.db2.gz LRGXUFIBZKNKDU-CQSZACIVSA-N 0 0 420.851 3.124 20 0 HGADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(C)c2ccc(Cl)cc2n1 ZINC001164701525 719860722 /nfs/dbraw/zinc/86/07/22/719860722.db2.gz LBGHDNVKUGGYGN-HTAPYJJXSA-N 0 0 417.937 3.429 20 0 HGADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2ccc(Cl)c(C)c2n1 ZINC001164699857 719863978 /nfs/dbraw/zinc/86/39/78/719863978.db2.gz CFBOULKSNNYDDX-VGSWGCGISA-N 0 0 417.937 3.429 20 0 HGADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc2ccc(Cl)c(C)c2n1 ZINC001164699852 719864081 /nfs/dbraw/zinc/86/40/81/719864081.db2.gz CFBOULKSNNYDDX-JTSKRJEESA-N 0 0 417.937 3.429 20 0 HGADRN CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H](N3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164704427 719876750 /nfs/dbraw/zinc/87/67/50/719876750.db2.gz LXPJOMPVGMGKQB-CMPZQBNXSA-N 0 0 424.973 3.185 20 0 HGADRN CCO[C@@H]1CN(C(F)(F)COC(=O)Nc2cccnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164710611 720065470 /nfs/dbraw/zinc/06/54/70/720065470.db2.gz FLKPHNQHHYVGKZ-MCIONIFRSA-N 0 0 405.829 3.145 20 0 HGADRN Cc1nc(CN2CCN(C)C3(CCN(c4ncc(C)cc4Cl)CC3)C2=O)cs1 ZINC001164823188 720361172 /nfs/dbraw/zinc/36/11/72/720361172.db2.gz BLWAVBJRQOCRBS-UHFFFAOYSA-N 0 0 419.982 3.122 20 0 HGADRN Cc1nc(CN2CCN(C)C3(CCN(c4ccc(C(C)C)cn4)CC3)C2=O)cs1 ZINC001164820740 720371340 /nfs/dbraw/zinc/37/13/40/720371340.db2.gz SIVWIYVERMFONR-UHFFFAOYSA-N 0 0 413.591 3.283 20 0 HGADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)ncn3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164820944 720385407 /nfs/dbraw/zinc/38/54/07/720385407.db2.gz DFEHTYRBEPCFLE-XJKCOSOUSA-N 0 0 416.881 3.393 20 0 HGADRN COc1ccc(C(F)(F)N2CC[C@@H]3O[C@H](c4nc(C)no4)CC[C@@H]32)c(Cl)n1 ZINC001164828684 720404712 /nfs/dbraw/zinc/40/47/12/720404712.db2.gz KJSBJXPRVINYPY-AVGNSLFASA-N 0 0 400.813 3.479 20 0 HGADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3c4c(nnc3Cl)CCC4)O2)n1 ZINC001164830101 720408228 /nfs/dbraw/zinc/40/82/28/720408228.db2.gz PTLRBGWGMYILRC-IHRRRGAJSA-N 0 0 411.840 3.354 20 0 HGADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3nc4ccc(Cl)nc4[nH]3)O2)n1 ZINC001164826170 720409997 /nfs/dbraw/zinc/40/99/97/720409997.db2.gz CQJUQZWIFHNKIM-SRVKXCTJSA-N 0 0 410.812 3.347 20 0 HGADRN Cc1cc(C(F)(F)N2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@H]3C2)cc(Cl)n1 ZINC001164822486 720415578 /nfs/dbraw/zinc/41/55/78/720415578.db2.gz CKXNJNLHRJNRFC-IIAWOOMASA-N 0 0 401.885 3.202 20 0 HGADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)C[C@H]21 ZINC001164824178 720418319 /nfs/dbraw/zinc/41/83/19/720418319.db2.gz JOWALBUIWFETPA-BZPMIXESSA-N 0 0 405.848 3.033 20 0 HGADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164727132 720451884 /nfs/dbraw/zinc/45/18/84/720451884.db2.gz DCKMXLAIIGRKSF-GJZGRUSLSA-N 0 0 404.852 3.404 20 0 HGADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164722463 720497809 /nfs/dbraw/zinc/49/78/09/720497809.db2.gz ARXLBUBIKZSTNS-YJBOKZPZSA-N 0 0 408.836 3.299 20 0 HGADRN Cc1cc(C(F)(F)N2CC[C@@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)c(Cl)nn1 ZINC001164722555 720502795 /nfs/dbraw/zinc/50/27/95/720502795.db2.gz BBCKUZXSUITBHS-YJBOKZPZSA-N 0 0 423.851 3.002 20 0 HGADRN CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2OCC[C@@]2(C(=O)Nc2cccnc2)C1 ZINC001164729885 720504339 /nfs/dbraw/zinc/50/43/39/720504339.db2.gz KGRMCMGTUINVDI-LAUBAEHRSA-N 0 0 400.910 3.485 20 0 HGADRN CC[C@H]1N(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)CCC[C@]12CCC(=O)N2 ZINC001164849514 720757278 /nfs/dbraw/zinc/75/72/78/720757278.db2.gz SYPWEGPJOINTRD-PXAZEXFGSA-N 0 0 411.840 3.358 20 0 HGADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001164844742 720766827 /nfs/dbraw/zinc/76/68/27/720766827.db2.gz CTGPSWATPHJVLF-CVEARBPZSA-N 0 0 420.847 3.153 20 0 HGADRN Cc1cccc(CN2CC[C@]3(CCN([C@H](F)Oc4ccc(Cl)nn4)C3)C2=O)c1 ZINC001164849944 720808975 /nfs/dbraw/zinc/80/89/75/720808975.db2.gz HOFKGGNXVMFCLX-VQTJNVASSA-N 0 0 404.873 3.195 20 0 HGADRN O=C1[C@H]2CN(C(F)(F)c3ccc(Cl)nc3Cl)C[C@@H]2CN1Cc1ccncc1 ZINC001164855736 720809578 /nfs/dbraw/zinc/80/95/78/720809578.db2.gz YQPWQXWDDXFGPR-STQMWFEESA-N 0 0 413.255 3.423 20 0 HGADRN CSc1ccc(C(F)(F)N2C[C@@H]3C(=O)N(Cc4ccncc4)C[C@H]3C2)nc1Cl ZINC001164853176 720811561 /nfs/dbraw/zinc/81/15/61/720811561.db2.gz QGQMILLNJIWRGU-KBPBESRZSA-N 0 0 424.904 3.492 20 0 HGADRN O=C1[C@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@@H]2CN1Cc1ccncc1 ZINC001164854530 720814620 /nfs/dbraw/zinc/81/46/20/720814620.db2.gz USDODLPDHREOFT-RDJZCZTQSA-N 0 0 418.875 3.345 20 0 HGADRN O=C([C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(Cl)c2)O1)N1CCCO1 ZINC001164847611 720817957 /nfs/dbraw/zinc/81/79/57/720817957.db2.gz JQJOJSQQTKAWLW-AVGNSLFASA-N 0 0 422.259 3.224 20 0 HGADRN O=C([C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)cc2Cl)O1)N1CCCO1 ZINC001164847374 720818561 /nfs/dbraw/zinc/81/85/61/720818561.db2.gz JGVGZQZDXSDMPX-MCIONIFRSA-N 0 0 422.259 3.224 20 0 HGADRN COC[C@]12CCCO[C@H]1CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164846531 720824691 /nfs/dbraw/zinc/82/46/91/720824691.db2.gz FLDGCOBQVLYQAC-LADGPHEKSA-N 0 0 408.546 3.057 20 0 HGADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cnc(Cl)cn3)C2)CC1 ZINC001164856923 720893608 /nfs/dbraw/zinc/89/36/08/720893608.db2.gz IDKQGGQNUSCNHE-UHFFFAOYSA-N 0 0 407.852 3.203 20 0 HGADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3ccc(Cl)nn3)C2)C1)c1ccccc1 ZINC001164860870 720897726 /nfs/dbraw/zinc/89/77/26/720897726.db2.gz VLFPVITTXXTANH-DNVCBOLYSA-N 0 0 422.863 3.233 20 0 HGADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)cn3)C2)C1)c1ccccc1 ZINC001164861735 720897854 /nfs/dbraw/zinc/89/78/54/720897854.db2.gz YNKSUNTUEBITNI-HNAYVOBHSA-N 0 0 422.863 3.233 20 0 HGADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@H]21 ZINC001164759227 721003876 /nfs/dbraw/zinc/00/38/76/721003876.db2.gz YNYLLBCKQHJFLQ-UPJWGTAASA-N 0 0 417.243 3.144 20 0 HGADRN O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN([C@H](F)c3ccnc(Cl)c3)C[C@@H]21 ZINC001164756648 721020025 /nfs/dbraw/zinc/02/00/25/721020025.db2.gz AMCLGPDKYHTJQU-MLYOOKFZSA-N 0 0 418.900 3.142 20 0 HGADRN FC(F)(c1nccnc1Cl)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164770451 721030546 /nfs/dbraw/zinc/03/05/46/721030546.db2.gz YGYOJNUNADBDPY-YJBOKZPZSA-N 0 0 410.852 3.415 20 0 HGADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001164861231 721031529 /nfs/dbraw/zinc/03/15/29/721031529.db2.gz FGNDXHPVERAXNQ-UHFFFAOYSA-N 0 0 413.259 3.437 20 0 HGADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)Oc2cccc(Cl)n2)n1 ZINC001164763978 721052096 /nfs/dbraw/zinc/05/20/96/721052096.db2.gz AFXDNLQMHFUANF-LSDHHAIUSA-N 0 0 408.836 3.243 20 0 HGADRN COc1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)c(Cl)n1 ZINC001164764812 721052642 /nfs/dbraw/zinc/05/26/42/721052642.db2.gz BNKPSNQJSZUGDD-HZPDHXFCSA-N 0 0 422.863 3.372 20 0 HGADRN 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HGADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C[C@H]3O2)n1 ZINC001164962565 722042791 /nfs/dbraw/zinc/04/27/91/722042791.db2.gz PIIDWFFYWGGRAN-JFGNBEQYSA-N 0 0 421.231 3.341 20 0 HGADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001164957798 722046511 /nfs/dbraw/zinc/04/65/11/722046511.db2.gz KXKJYVPQICKACP-UWVGGRQHSA-N 0 0 403.216 3.272 20 0 HGADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)nc1Cl ZINC001164964442 722063658 /nfs/dbraw/zinc/06/36/58/722063658.db2.gz GTXIDYAGGOMMTK-GHMZBOCLSA-N 0 0 420.272 3.278 20 0 HGADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccnc(Cl)c1F ZINC001164966314 722063888 /nfs/dbraw/zinc/06/38/88/722063888.db2.gz QPYPKMLVGRWVGV-VXGBXAGGSA-N 0 0 402.829 3.369 20 0 HGADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001164968204 722078610 /nfs/dbraw/zinc/07/86/10/722078610.db2.gz VWDMPPZGHIINJI-UHFFFAOYSA-N 0 0 408.836 3.014 20 0 HGADRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1cccc3c(Cl)ncnc31)CCO2 ZINC001164968539 722084017 /nfs/dbraw/zinc/08/40/17/722084017.db2.gz DLPYQHHHBHMOCV-GOSISDBHSA-N 0 0 410.852 3.046 20 0 HGADRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1cccc3c(Cl)ncnc31)CCO2 ZINC001164968540 722084069 /nfs/dbraw/zinc/08/40/69/722084069.db2.gz DLPYQHHHBHMOCV-SFHVURJKSA-N 0 0 410.852 3.046 20 0 HGADRN O=C(NC1CCC1)C1C[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)C[C@@H]2C1 ZINC001164976521 722085104 /nfs/dbraw/zinc/08/51/04/722085104.db2.gz VMKPXXLQIKBMRN-ROUUACIJSA-N 0 0 402.970 3.462 20 0 HGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3nccc(Cl)n3)C[C@@H]21 ZINC001164983898 722097096 /nfs/dbraw/zinc/09/70/96/722097096.db2.gz UHKIDXKMEACCRN-IJEWVQPXSA-N 0 0 407.852 3.221 20 0 HGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(Cl)nn3)C[C@H]21 ZINC001164974485 722097172 /nfs/dbraw/zinc/09/71/72/722097172.db2.gz DPHFMBGOTNAJFX-CKEIUWERSA-N 0 0 407.852 3.221 20 0 HGADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C2)C1=O ZINC001164980596 722162425 /nfs/dbraw/zinc/16/24/25/722162425.db2.gz NUUSMDAKAWYDMN-IBGZPJMESA-N 0 0 415.831 3.348 20 0 HGADRN c1cc(N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)ncc1CN1CCOCC1 ZINC001164977802 722163753 /nfs/dbraw/zinc/16/37/53/722163753.db2.gz GXPKTFCAGFMLSR-LADGPHEKSA-N 0 0 415.578 3.249 20 0 HGADRN CSc1nc(C)cc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164990335 722173905 /nfs/dbraw/zinc/17/39/05/722173905.db2.gz VPJXFWURGALMHZ-IRXDYDNUSA-N 0 0 405.593 3.142 20 0 HGADRN CCc1ncnc(Cl)c1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164988903 722176572 /nfs/dbraw/zinc/17/65/72/722176572.db2.gz RYVLSXSOJFLHAO-DLBZAZTESA-N 0 0 407.971 3.327 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4c(C)nc(C)nc4Cl)CC[C@@H]32)cs1 ZINC001164988506 722180266 /nfs/dbraw/zinc/18/02/66/722180266.db2.gz JWANHYVKMWOJSP-IRXDYDNUSA-N 0 0 407.971 3.382 20 0 HGADRN CCCc1cc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc(C)n1 ZINC001164988484 722183990 /nfs/dbraw/zinc/18/39/90/722183990.db2.gz JRPJFZCAQUEYNO-PMACEKPBSA-N 0 0 401.580 3.372 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5ccco5)nn4)CC[C@H]32)cs1 ZINC001164985159 722185663 /nfs/dbraw/zinc/18/56/63/722185663.db2.gz ASAPZDZCCJMOMA-UYAOXDASSA-N 0 0 411.531 3.371 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5ccncc5)nn4)CC[C@H]32)cs1 ZINC001164991644 722185725 /nfs/dbraw/zinc/18/57/25/722185725.db2.gz UMACMEYOLQKRRR-NHCUHLMSSA-N 0 0 422.558 3.173 20 0 HGADRN CCCCc1cc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)ncn1 ZINC001164986985 722186090 /nfs/dbraw/zinc/18/60/90/722186090.db2.gz HUJHNDLKGVCPDJ-UXHICEINSA-N 0 0 401.580 3.454 20 0 HGADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1ccnc(Cl)c1Cl ZINC001164997511 722214251 /nfs/dbraw/zinc/21/42/51/722214251.db2.gz QZZWCDKTEKFIHI-UHTWSYAYSA-N 0 0 408.276 3.442 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)[C@H]2C1 ZINC001164996425 722216887 /nfs/dbraw/zinc/21/68/87/722216887.db2.gz NATYLKPLVBNKKW-BPUTZDHNSA-N 0 0 413.896 3.363 20 0 HGADRN COCCO[C@@H]1CCN(C(F)(F)c2nc(Cl)ccc2C)[C@@H]1Cc1cnn(C)c1 ZINC001164999047 722224151 /nfs/dbraw/zinc/22/41/51/722224151.db2.gz HGVLDKBEODNRCG-HZPDHXFCSA-N 0 0 414.884 3.175 20 0 HGADRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1cccc3c(Cl)ncnc31)CCC2 ZINC001165000484 722228528 /nfs/dbraw/zinc/22/85/28/722228528.db2.gz SRUKPELHRACSEC-UHFFFAOYSA-N 0 0 420.851 3.071 20 0 HGADRN Cc1ccc2c(c1)nc(Cl)cc2N1CCc2ncnc(N3CCN(C)CC3)c2CC1 ZINC001164997633 722235140 /nfs/dbraw/zinc/23/51/40/722235140.db2.gz SNRDMSOMDCFGHH-UHFFFAOYSA-N 0 0 422.964 3.344 20 0 HGADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001165000778 722247651 /nfs/dbraw/zinc/24/76/51/722247651.db2.gz KXTMXYRFALNUTK-UHFFFAOYSA-N 0 0 405.792 3.478 20 0 HGADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1ccnc(Cl)c1)CCO2 ZINC001165000682 722248480 /nfs/dbraw/zinc/24/84/80/722248480.db2.gz JEFWUURZEOSHCK-SFHVURJKSA-N 0 0 411.836 3.385 20 0 HGADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cccnc1Cl)CCO2 ZINC001164999858 722248714 /nfs/dbraw/zinc/24/87/14/722248714.db2.gz DJACHWHQBPFLMK-GOSISDBHSA-N 0 0 411.836 3.385 20 0 HGADRN Cc1cccc2c1ncnc2N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001165005833 722262133 /nfs/dbraw/zinc/26/21/33/722262133.db2.gz ZYXWJZQNIDNSIV-QHCPKHFHSA-N 0 0 405.477 3.005 20 0 HGADRN Cc1ccc2ncnc(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c2c1 ZINC001165003934 722262244 /nfs/dbraw/zinc/26/22/44/722262244.db2.gz MQAKMOPKSPFMKE-QHCPKHFHSA-N 0 0 405.477 3.005 20 0 HGADRN CCOc1cc(Cl)nc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1 ZINC001165008214 722264175 /nfs/dbraw/zinc/26/41/75/722264175.db2.gz VXSLWFYIKPXXJN-NRFANRHFSA-N 0 0 418.900 3.200 20 0 HGADRN CCOc1ccc(Cl)nc1N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001165007208 722265666 /nfs/dbraw/zinc/26/56/66/722265666.db2.gz QHXZWHSOLUSGEA-OAQYLSRUSA-N 0 0 418.900 3.200 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc3cccc(F)c3n1)C2 ZINC001165007618 722266914 /nfs/dbraw/zinc/26/69/14/722266914.db2.gz SBBSELGHVDLXIK-HSZRJFAPSA-N 0 0 408.452 3.441 20 0 HGADRN O=C([O-])[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000539606565 939286358 /nfs/dbraw/zinc/28/63/58/939286358.db2.gz YRCVIBFUNPEKMQ-IBGZPJMESA-N 0 0 418.440 3.442 20 0 HGADRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123268588 939817621 /nfs/dbraw/zinc/81/76/21/939817621.db2.gz SSMROTZMJDVGSA-DCLXLUIPSA-N 0 0 408.498 3.034 20 0 HGADRN CC(C)COc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001263628378 939829027 /nfs/dbraw/zinc/82/90/27/939829027.db2.gz SOYPYYPPPNEHIV-VWLOTQADSA-N 0 0 424.541 3.500 20 0 HGADRN O=C([O-])[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000426663639 1126081394 /nfs/dbraw/zinc/08/13/94/1126081394.db2.gz MREXSZBCWGTUEE-IBGZPJMESA-N 0 0 419.403 3.441 20 0 HGADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000426724232 1126082850 /nfs/dbraw/zinc/08/28/50/1126082850.db2.gz QNQSFDUBSSIYHY-KRWDZBQOSA-N 0 0 403.862 3.222 20 0 HGADRN COc1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])c(Cl)c1OC ZINC000426724921 1126082901 /nfs/dbraw/zinc/08/29/01/1126082901.db2.gz XBGSVBGYXFODRY-HNNXBMFYSA-N 0 0 421.877 3.304 20 0 HGADRN CCCOc1cc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])ccc1OC ZINC000426725510 1126083130 /nfs/dbraw/zinc/08/31/30/1126083130.db2.gz ZKFJRMSFDACMFA-SFHVURJKSA-N 0 0 415.486 3.431 20 0 HGADRN CCOc1cc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])ccc1OC ZINC000426731342 1126084030 /nfs/dbraw/zinc/08/40/30/1126084030.db2.gz OQQXRDCSBHCVPP-KRWDZBQOSA-N 0 0 401.459 3.041 20 0 HGADRN O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000426730975 1126084118 /nfs/dbraw/zinc/08/41/18/1126084118.db2.gz CBFSKMCSDXZWLF-KRWDZBQOSA-N 0 0 408.355 3.211 20 0 HGADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000426731965 1126084257 /nfs/dbraw/zinc/08/42/57/1126084257.db2.gz RFSYDAYGWWQYEN-KRWDZBQOSA-N 0 0 407.413 3.277 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000426731971 1126084278 /nfs/dbraw/zinc/08/42/78/1126084278.db2.gz RFSYDAYGWWQYEN-QGZVFWFLSA-N 0 0 407.413 3.277 20 0 HGADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000426757098 1126088198 /nfs/dbraw/zinc/08/81/98/1126088198.db2.gz NQIMWINLSRZSJG-LLVKDONJSA-N 0 0 402.423 3.330 20 0 HGADRN COc1cc(C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cc(OC)c1 ZINC000426797327 1126091100 /nfs/dbraw/zinc/09/11/00/1126091100.db2.gz ASBOPVUSUFZDKS-SFHVURJKSA-N 0 0 421.877 3.304 20 0 HGADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000426761953 1126088829 /nfs/dbraw/zinc/08/88/29/1126088829.db2.gz FTZCMDBTXICQFF-SFHVURJKSA-N 0 0 400.276 3.420 20 0 HGADRN Cc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1-n1cncn1 ZINC000426764594 1126089032 /nfs/dbraw/zinc/08/90/32/1126089032.db2.gz XJVGRYDYQLAMIC-QGZVFWFLSA-N 0 0 415.291 3.124 20 0 HGADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000426763453 1126089047 /nfs/dbraw/zinc/08/90/47/1126089047.db2.gz SAWVNJMBMRLCIP-GOSISDBHSA-N 0 0 400.276 3.420 20 0 HGADRN Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] 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CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cccc4c(Cl)ncnc43)[C@H]2C1 ZINC001164996136 722216025 /nfs/dbraw/zinc/21/60/25/722216025.db2.gz LVTHGTWHXPTDDW-VBNZEHGJSA-N 0 0 424.879 3.337 20 0 HGADRN O=C1C[C@]2(CCN(C(F)(F)c3cnc(Cl)cn3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164998938 722219301 /nfs/dbraw/zinc/21/93/01/722219301.db2.gz NFKQNYFZYQYRCF-SFHVURJKSA-N 0 0 422.819 3.037 20 0 HGADRN O=C1C[C@@]2(CCN(C(F)(F)c3nccnc3Cl)C2)CN1c1ccc2c(c1)OCO2 ZINC001164998984 722220042 /nfs/dbraw/zinc/22/00/42/722220042.db2.gz NRFPAZCVFSSPSK-GOSISDBHSA-N 0 0 422.819 3.037 20 0 HGADRN COCCO[C@H]1CCN(C(F)(F)c2nc(Cl)ccc2F)[C@H]1Cc1cnn(C)c1 ZINC001164999973 722223353 /nfs/dbraw/zinc/22/33/53/722223353.db2.gz URBVTZOPMVUSSZ-GJZGRUSLSA-N 0 0 418.847 3.006 20 0 HGADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)Oc2cccc(Cl)n2)n1 ZINC001164999069 722226485 /nfs/dbraw/zinc/22/64/85/722226485.db2.gz HSRQEBHUDZROKJ-ZDUSSCGKSA-N 0 0 413.856 3.374 20 0 HGADRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CCC2 ZINC001165000057 722228473 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HGADRN COc1ccc2ccnc(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c2c1 ZINC001165005860 722266878 /nfs/dbraw/zinc/26/68/78/722266878.db2.gz FAYZAMSKDKJTAD-XMMPIXPASA-N 0 0 420.488 3.310 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc3ccc(F)cc3n1)C2 ZINC001165006359 722268424 /nfs/dbraw/zinc/26/84/24/722268424.db2.gz NUIKWQYIZUALHN-QHCPKHFHSA-N 0 0 408.452 3.441 20 0 HGADRN COc1cccc([C@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)[NH+]2CCCC2)c1 ZINC000780349505 939108064 /nfs/dbraw/zinc/10/80/64/939108064.db2.gz VSDLSCXSSWVZPN-PMACEKPBSA-N 0 0 403.523 3.165 20 0 HGADRN C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC001119635133 939814585 /nfs/dbraw/zinc/81/45/85/939814585.db2.gz JCJPDJYJWZZZPN-SFHVURJKSA-N 0 0 421.541 3.482 20 0 HGADRN COc1ccccc1C[C@@H](C)CC(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123372702 939822170 /nfs/dbraw/zinc/82/21/70/939822170.db2.gz RNRXVJHXCZZNJN-KBMIEXCESA-N 0 0 424.541 3.500 20 0 HGADRN O=C([O-])[C@]1(NC(=O)COc2ccc(F)c(Cl)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123372869 939823676 /nfs/dbraw/zinc/82/36/76/939823676.db2.gz XWZFJCSXIUAZSC-NRFANRHFSA-N 0 0 420.868 3.094 20 0 HGADRN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000426659523 1126081259 /nfs/dbraw/zinc/08/12/59/1126081259.db2.gz GLTNRPCHUDVWOG-INIZCTEOSA-N 0 0 417.259 3.445 20 0 HGADRN COc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Br)c1O ZINC000426662887 1126081295 /nfs/dbraw/zinc/08/12/95/1126081295.db2.gz HTLMQBSWMYSWMP-INIZCTEOSA-N 0 0 419.275 3.430 20 0 HGADRN Cn1c(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000426719689 1126082067 /nfs/dbraw/zinc/08/20/67/1126082067.db2.gz ISBZZIVDOYTRFF-MRXNPFEDSA-N 0 0 415.877 3.174 20 0 HGADRN COc1cc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])ccc1SC ZINC000426720563 1126082116 /nfs/dbraw/zinc/08/21/16/1126082116.db2.gz NSCXJBCRSYODQS-INIZCTEOSA-N 0 0 403.500 3.364 20 0 HGADRN COc1cc(C[NH2+][C@@H](Cn2cc(C)cn2)C(=O)[O-])ccc1OCc1cccs1 ZINC000426724547 1126082822 /nfs/dbraw/zinc/08/28/22/1126082822.db2.gz TWBOFIQFWDGKQS-KRWDZBQOSA-N 0 0 401.488 3.084 20 0 HGADRN Cn1c(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000426729580 1126083863 /nfs/dbraw/zinc/08/38/63/1126083863.db2.gz FASXDAUBUWCCLY-INIZCTEOSA-N 0 0 415.877 3.174 20 0 HGADRN COCCOc1cccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])c1 ZINC000426748478 1126086806 /nfs/dbraw/zinc/08/68/06/1126086806.db2.gz XXHAVMRAWWWAFY-SFHVURJKSA-N 0 0 408.292 3.260 20 0 HGADRN O=C([O-])[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000426751813 1126087205 /nfs/dbraw/zinc/08/72/05/1126087205.db2.gz YGOIDWRPYGTIKJ-INIZCTEOSA-N 0 0 409.248 3.499 20 0 HGADRN COc1cccc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])n1 ZINC000426810521 1126091865 /nfs/dbraw/zinc/09/18/65/1126091865.db2.gz ILOVHMIOIHLZRU-INIZCTEOSA-N 0 0 404.264 3.120 20 0 HGADRN COc1cc2c(c(C[NH2+][C@H](Cc3ccc(OC(F)F)cc3)C(=O)[O-])c1)O[C@@H](C)C2 ZINC000426827293 1126093125 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3.264 20 0 HGADRN CN(C)C(=O)[C@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)c2ccccc2O1 ZINC000021478028 132472473 /nfs/dbraw/zinc/47/24/73/132472473.db2.gz KVMYPAKBFNFOJK-HXUWFJFHSA-N 0 0 423.444 3.296 20 0 HGADRN O=C([C@H]1CCc2c[nH]nc2C1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000328605085 569418027 /nfs/dbraw/zinc/41/80/27/569418027.db2.gz MHQJZNDEJDNBHB-PRCFCKQXSA-N 0 0 403.486 3.145 20 0 HGADRN COc1cccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1O ZINC000328607344 569418919 /nfs/dbraw/zinc/41/89/19/569418919.db2.gz VUDBTNLXORYJEV-IVZQSRNASA-N 0 0 406.442 3.040 20 0 HGADRN O=C1Nc2ccccc2[C@@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@H]12 ZINC001164401282 718855916 /nfs/dbraw/zinc/85/59/16/718855916.db2.gz AIYYCHAAAAIQQY-PMACEKPBSA-N 0 0 411.509 3.207 20 0 HGADRN COC(=O)c1ccc(C(F)(F)N2C[C@H]3c4ccccc4NC(=O)[C@@H]3C2)c(Cl)n1 ZINC001164405612 718856521 /nfs/dbraw/zinc/85/65/21/718856521.db2.gz LXAXPGJZAWQHQM-NWDGAFQWSA-N 0 0 407.804 3.239 20 0 HGADRN 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Cc1cc(Br)ccc1C[NH2+][C@@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000426742331 1126085856 /nfs/dbraw/zinc/08/58/56/1126085856.db2.gz OZSKTFUVNXQPEF-SFHVURJKSA-N 0 0 415.291 3.124 20 0 HGADRN Cc1cc(C[NH2+][C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])sc1Br ZINC000426749226 1126086723 /nfs/dbraw/zinc/08/67/23/1126086723.db2.gz DMPCJPQKWUPSNW-SECBINFHSA-N 0 0 412.231 3.277 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2cc(F)ccc2Br)C(=O)[O-])cc(OC)c1 ZINC000426808331 1126091766 /nfs/dbraw/zinc/09/17/66/1126091766.db2.gz LQWCBIMJZOQDFP-QGZVFWFLSA-N 0 0 412.255 3.391 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)C(=O)[O-])cc(OC)c1 ZINC000426814684 1126092100 /nfs/dbraw/zinc/09/21/00/1126092100.db2.gz AISRGCIKWDANEW-QGZVFWFLSA-N 0 0 403.866 3.029 20 0 HGADRN COc1cc2c(c(C[NH2+][C@@H](Cc3ccc(OC(F)F)cc3)C(=O)[O-])c1)O[C@@H](C)C2 ZINC000426827295 1126093026 /nfs/dbraw/zinc/09/30/26/1126093026.db2.gz VXWDRQXANQKRBT-SGTLLEGYSA-N 0 0 407.413 3.406 20 0 HGADRN COc1cccc2c1CC[C@@]2(CO)NCc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC001179447672 1126152271 /nfs/dbraw/zinc/15/22/71/1126152271.db2.gz NYOLOMIGVYYVCK-FQEVSTJZSA-N 0 0 405.520 3.422 20 0 HGADRN O=C(c1cc2ccccc2oc1=O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000583621115 560776183 /nfs/dbraw/zinc/77/61/83/560776183.db2.gz PXVKZFBCELGWHX-KRWDZBQOSA-N 0 0 409.442 3.437 20 0 HGADRN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003349107 568885093 /nfs/dbraw/zinc/88/50/93/568885093.db2.gz SUJDWANAZJUPAJ-CYBMUJFWSA-N 0 0 401.513 3.355 20 0 HGADRN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)cc1 ZINC000035405607 569035888 /nfs/dbraw/zinc/03/58/88/569035888.db2.gz KFDPTZRYRJECOZ-UHFFFAOYSA-N 0 0 408.545 3.107 20 0 HGADRN CC(C)(C)C(=O)Nc1ccnc(N2CCC23CCCC3)c1CN1CC[C@@H](CO)C1 ZINC001164400011 718845258 /nfs/dbraw/zinc/84/52/58/718845258.db2.gz NEJVDSVPTACFHO-QGZVFWFLSA-N 0 0 400.567 3.403 20 0 HGADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]3c4ccccc4NC(=O)[C@@H]3C2)c1 ZINC001164406471 718857260 /nfs/dbraw/zinc/85/72/60/718857260.db2.gz USDTWPDVVXDRCI-QWHCGFSZSA-N 0 0 407.804 3.239 20 0 HGADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2C(=O)Nc3ccccc3[C@@H]2C1 ZINC001164407225 718857880 /nfs/dbraw/zinc/85/78/80/718857880.db2.gz XZNKKNNPAYTXMJ-STQMWFEESA-N 0 0 407.804 3.239 20 0 HGADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1ccc(OC)nc1Cl)C2 ZINC001164409711 718866671 /nfs/dbraw/zinc/86/66/71/718866671.db2.gz SVOCAMGFIGXQLD-UHFFFAOYSA-N 0 0 400.813 3.072 20 0 HGADRN O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1C[C@@H]2CC(F)(F)[C@@H]2C1 ZINC001164408334 718870527 /nfs/dbraw/zinc/87/05/27/718870527.db2.gz LTFHUHPFMXESPB-NMOXLHADSA-N 0 0 415.847 3.084 20 0 HGADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2CCCO[C@H]2C1 ZINC001164420996 718898684 /nfs/dbraw/zinc/89/86/84/718898684.db2.gz OPJBPXKELOFHQD-OCCSQVGLSA-N 0 0 401.841 3.247 20 0 HGADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)COCC(=O)N4)c(Cl)nn2)c1 ZINC001164424557 718936606 /nfs/dbraw/zinc/93/66/06/718936606.db2.gz PFPSAQINOIBNSH-UHFFFAOYSA-N 0 0 422.863 3.136 20 0 HGADRN CS(=O)(=O)c1ccc(Cl)nc1N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164621776 719094401 /nfs/dbraw/zinc/09/44/01/719094401.db2.gz AUFYDSOKYXQZJE-DLBZAZTESA-N 0 0 405.951 3.239 20 0 HGADRN c1sc([C@@H]2C[C@H]3CN(c4ccc(CN5CCOCC5)cn4)C[C@@H]3O2)nc1C1CC1 ZINC001164646151 719287593 /nfs/dbraw/zinc/28/75/93/719287593.db2.gz NGMAWRPOOCCOPI-IHPCNDPISA-N 0 0 412.559 3.214 20 0 HGADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C[C@H]3O2)n1 ZINC001164647847 719299690 /nfs/dbraw/zinc/29/96/90/719299690.db2.gz FANXRVJNRBUCMK-WCFLWFBJSA-N 0 0 422.823 3.271 20 0 HGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)C[C@@H]2CCCO[C@H]12 ZINC001164656154 719304445 /nfs/dbraw/zinc/30/44/45/719304445.db2.gz WMPLUSHIOPMOFR-IYOUNJFTSA-N 0 0 424.879 3.367 20 0 HGADRN COc1nnc(Cl)cc1C(F)(F)N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001164650865 719317936 /nfs/dbraw/zinc/31/79/36/719317936.db2.gz FCKSKRUAAFCESE-UHFFFAOYSA-N 0 0 414.888 3.085 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)Oc2cccnc2Cl)C[C@@H]2CCCO[C@H]12 ZINC001164654313 719324386 /nfs/dbraw/zinc/32/43/86/719324386.db2.gz JWYSEXMVHGEKLN-VBQJREDUSA-N 0 0 415.868 3.060 20 0 HGADRN Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H](NC(=O)CC2CC2)[C@@H]2OCCC[C@H]2C1 ZINC001164656309 719325403 /nfs/dbraw/zinc/32/54/03/719325403.db2.gz WJLPBHLEDIQUKY-HDMKZQKVSA-N 0 0 413.896 3.488 20 0 HGADRN CC(C)CN1CCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)CC1 ZINC001164654450 719332351 /nfs/dbraw/zinc/33/23/51/719332351.db2.gz QDPFUMXVLYPITQ-UHFFFAOYSA-N 0 0 402.873 3.020 20 0 HGADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)nc1)CC2 ZINC001164663934 719359496 /nfs/dbraw/zinc/35/94/96/719359496.db2.gz JIGHFAFCMQAYKH-UHFFFAOYSA-N 0 0 415.897 3.219 20 0 HGADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001164663887 719359616 /nfs/dbraw/zinc/35/96/16/719359616.db2.gz IGJDLUYKVRKEFL-UHFFFAOYSA-N 0 0 415.897 3.219 20 0 HGADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cnnc(Cl)c1)CC2 ZINC001164662997 719359676 /nfs/dbraw/zinc/35/96/76/719359676.db2.gz BOXDUHLQZFDZJR-UHFFFAOYSA-N 0 0 415.897 3.219 20 0 HGADRN CCN(CC)C(=O)c1nc2c(s1)CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164664637 719359713 /nfs/dbraw/zinc/35/97/13/719359713.db2.gz QAAWBYYAZUQQBC-SFHVURJKSA-N 0 0 412.918 3.406 20 0 HGADRN Cn1ncc2c1CN([C@@H](F)Oc1cccc(Cl)n1)C[C@@H]2COc1cccnc1 ZINC001164682431 719597866 /nfs/dbraw/zinc/59/78/66/719597866.db2.gz BXIJKFNHAFPRAQ-BFUOFWGJSA-N 0 0 403.845 3.174 20 0 HGADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(Cl)n2)N1Cc1cccnc1 ZINC001164693705 719762338 /nfs/dbraw/zinc/76/23/38/719762338.db2.gz ZFILGGKJFLAGDH-NWDGAFQWSA-N 0 0 414.243 3.103 20 0 HGADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2nc(Cl)ncc2Cl)N1Cc1cccnc1 ZINC001164691392 719764874 /nfs/dbraw/zinc/76/48/74/719764874.db2.gz OIOJKUOERWRIAF-OLZOCXBDSA-N 0 0 414.243 3.103 20 0 HGADRN Cc1nc(C(F)(F)N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)nc(Cl)c1C ZINC001164692521 719769120 /nfs/dbraw/zinc/76/91/20/719769120.db2.gz UQRSFTDEPFFNOJ-LSDHHAIUSA-N 0 0 407.852 3.067 20 0 HGADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164697106 719786980 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421.900 3.260 20 0 HGADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)cc2cccc(F)c21 ZINC001164700834 719880673 /nfs/dbraw/zinc/88/06/73/719880673.db2.gz MJKGSIPLIMVSSK-YCRPNKLZSA-N 0 0 421.900 3.260 20 0 HGADRN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)ncc2Cl)cn1 ZINC001164712721 720068959 /nfs/dbraw/zinc/06/89/59/720068959.db2.gz LOSGVRPBNPOLMG-CHWSQXEVSA-N 0 0 402.232 3.051 20 0 HGADRN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nc2Cl)cn1 ZINC001164709654 720069204 /nfs/dbraw/zinc/06/92/04/720069204.db2.gz AOOKPNPQWUOECK-VXGBXAGGSA-N 0 0 402.232 3.051 20 0 HGADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nccnc2Cl)cs1 ZINC001164816854 720257032 /nfs/dbraw/zinc/25/70/32/720257032.db2.gz NFDZEARUJXEAJR-QWHCGFSZSA-N 0 0 413.881 3.210 20 0 HGADRN COC(=O)c1ccc2nc(Cl)c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2c1 ZINC001164724492 720341242 /nfs/dbraw/zinc/34/12/42/720341242.db2.gz KJOFHJTZKZMZLP-RBUKOAKNSA-N 0 0 423.904 3.318 20 0 HGADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001164830999 720398342 /nfs/dbraw/zinc/39/83/42/720398342.db2.gz SXGXYTGMHNCCLP-UHFFFAOYSA-N 0 0 414.247 3.180 20 0 HGADRN COc1ccc(C(F)(F)N2CC[C@@H]3O[C@H](c4nc(C)no4)CC[C@H]32)nc1Cl ZINC001164828773 720405386 /nfs/dbraw/zinc/40/53/86/720405386.db2.gz LDOLUYDHEFKFHJ-MDZLAQPJSA-N 0 0 400.813 3.479 20 0 HGADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc(F)c(Cl)n3)C[C@@H]21 ZINC001164822133 720416663 /nfs/dbraw/zinc/41/66/63/720416663.db2.gz BJHULCUZBGJVSS-JHJVBQTASA-N 0 0 405.848 3.033 20 0 HGADRN Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2COC[C@H](CC(=O)NC(C)C)[C@H]2C1 ZINC001164823635 720419518 /nfs/dbraw/zinc/41/95/18/720419518.db2.gz IHKYRVXVQXCXBV-RRFJBIMHSA-N 0 0 401.885 3.202 20 0 HGADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)n1 ZINC001164725146 720498346 /nfs/dbraw/zinc/49/83/46/720498346.db2.gz IJEKREKZIIEYIF-KDOFPFPSSA-N 0 0 423.851 3.002 20 0 HGADRN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)Oc1cccc(Cl)n1)C2 ZINC001164726178 720499663 /nfs/dbraw/zinc/49/96/63/720499663.db2.gz KOWUNULPFRFSCS-KDOFPFPSSA-N 0 0 424.835 3.179 20 0 HGADRN O=C(C[C@@H]1OC[C@@H]2CN([C@H](F)Oc3ccc(Cl)nc3)CC[C@@H]21)N1CCCCC1 ZINC001164834538 720500832 /nfs/dbraw/zinc/50/08/32/720500832.db2.gz UBONFSWZKPNPJP-VERUCKTNSA-N 0 0 411.905 3.106 20 0 HGADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739625 720621377 /nfs/dbraw/zinc/62/13/77/720621377.db2.gz GGIAFQVIIFRALE-VXGBXAGGSA-N 0 0 416.259 3.065 20 0 HGADRN Clc1cc(Cl)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164738192 720658066 /nfs/dbraw/zinc/65/80/66/720658066.db2.gz IMEIDNSGMMLAFK-MNOVXSKESA-N 0 0 400.697 3.174 20 0 HGADRN Clc1cc(Cl)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)n1 ZINC001164738195 720658693 /nfs/dbraw/zinc/65/86/93/720658693.db2.gz IMEIDNSGMMLAFK-QWRGUYRKSA-N 0 0 400.697 3.174 20 0 HGADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738985 720693716 /nfs/dbraw/zinc/69/37/16/720693716.db2.gz LVMFKITUDQNXFK-NWDGAFQWSA-N 0 0 416.259 3.065 20 0 HGADRN CC[C@H]1N(c2ncnc3c2CN(Cc2ccccc2)CC3)CCC[C@@]12CCC(=O)N2 ZINC001164842998 720748672 /nfs/dbraw/zinc/74/86/72/720748672.db2.gz GYYNWVDDBOZPLP-ZJSXRUAMSA-N 0 0 405.546 3.063 20 0 HGADRN CC[C@@H]1N(C(F)(F)c2ccc(Cl)nc2C(=O)OC)CCC[C@]12CCC(=O)N2 ZINC001164841998 720750869 /nfs/dbraw/zinc/75/08/69/720750869.db2.gz BSGCLGUBRHVHPU-SJCJKPOMSA-N 0 0 401.841 3.094 20 0 HGADRN CC[C@@H]1N(C(F)(F)c2ccc(C(=O)OC)nc2Cl)CCC[C@@]12CCC(=O)N2 ZINC001164842406 720751340 /nfs/dbraw/zinc/75/13/40/720751340.db2.gz DLZRRKGUTPBNKQ-SUMWQHHRSA-N 0 0 401.841 3.094 20 0 HGADRN FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164848271 720769322 /nfs/dbraw/zinc/76/93/22/720769322.db2.gz PDFCFQBXMMOHRD-OAGGEKHMSA-N 0 0 410.852 3.413 20 0 HGADRN O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@@H]2COC[C@H]12)C1CCC1 ZINC001164844602 720798480 /nfs/dbraw/zinc/79/84/80/720798480.db2.gz BYZVPSJYNPIUAU-MRVWCRGKSA-N 0 0 406.260 3.053 20 0 HGADRN 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ZINC001164987990 722180445 /nfs/dbraw/zinc/18/04/45/722180445.db2.gz JDBVQIJJCLVHQQ-RTBURBONSA-N 0 0 413.522 3.404 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5[nH]c(C)c(C)c54)CC[C@@H]32)cs1 ZINC001164985920 722182362 /nfs/dbraw/zinc/18/23/62/722182362.db2.gz CFHWYULYKXUJLL-ZWKOTPCHSA-N 0 0 412.563 3.209 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nccc(OC(C)(C)C)n4)CC[C@H]32)cs1 ZINC001164993946 722182436 /nfs/dbraw/zinc/18/24/36/722182436.db2.gz XSADGIZMYNMLDH-MSOLQXFVSA-N 0 0 417.579 3.289 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)c(F)cc4N)CC[C@@H]32)cs1 ZINC001164992234 722184371 /nfs/dbraw/zinc/18/43/71/722184371.db2.gz SADNNLOVXJMHDI-HOTGVXAUSA-N 0 0 411.934 3.091 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc5cc(F)ccc5n4)CC[C@H]32)cs1 ZINC001164992840 722184383 /nfs/dbraw/zinc/18/43/83/722184383.db2.gz UTJDIMWJXKZBQF-UXHICEINSA-N 0 0 413.522 3.404 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5ncc(F)cc5n4)CC[C@H]32)cs1 ZINC001164985140 722184579 /nfs/dbraw/zinc/18/45/79/722184579.db2.gz 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722261196 /nfs/dbraw/zinc/26/11/96/722261196.db2.gz QHLDXIREBVKXOL-NRFANRHFSA-N 0 0 415.900 3.074 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(-c3ccccc3)ncn1)C2 ZINC001165008337 722267943 /nfs/dbraw/zinc/26/79/43/722267943.db2.gz WXMKNONDZITJFZ-XMMPIXPASA-N 0 0 417.488 3.210 20 0 HGADRN COc1ccccc1[C@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)[NH+]1CCCC1 ZINC000780347427 939108005 /nfs/dbraw/zinc/10/80/05/939108005.db2.gz LYYSKIJGMPPFFC-ICSRJNTNSA-N 0 0 403.523 3.165 20 0 HGADRN COc1ccccc1[C@H](CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCCCC1 ZINC000780452549 939123756 /nfs/dbraw/zinc/12/37/56/939123756.db2.gz WNKCKVQTHLIXSB-SFHVURJKSA-N 0 0 403.523 3.309 20 0 HGADRN O=C([O-])C1(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCCC1 ZINC000780575060 939136656 /nfs/dbraw/zinc/13/66/56/939136656.db2.gz LEJJDYWTBHBZQN-INIZCTEOSA-N 0 0 413.440 3.366 20 0 HGADRN Cc1ccc(-c2cc(C(=O)N[C@@]3(C(=O)[O-])CCC[N@H+](Cc4ccccc4)C3)on2)cc1 ZINC001123371855 939821512 /nfs/dbraw/zinc/82/15/12/939821512.db2.gz 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HGADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000426761758 1126088850 /nfs/dbraw/zinc/08/88/50/1126088850.db2.gz CXIYVZLUYQXECT-LBPRGKRZSA-N 0 0 411.302 3.086 20 0 HGADRN COc1ccc(C[NH2+][C@@H](Cn2nc(C)cc2C)C(=O)[O-])cc1OCc1ccccc1 ZINC000426762822 1126088992 /nfs/dbraw/zinc/08/89/92/1126088992.db2.gz NXFUVJQPYKZROJ-FQEVSTJZSA-N 0 0 409.486 3.331 20 0 HGADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000426763995 1126089095 /nfs/dbraw/zinc/08/90/95/1126089095.db2.gz VCPFQSYOXYYNFY-NSHDSACASA-N 0 0 402.423 3.330 20 0 HGADRN COc1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])cc1OCC(C)C ZINC000426775834 1126089862 /nfs/dbraw/zinc/08/98/62/1126089862.db2.gz CYAZMTWBDDRWJX-QGZVFWFLSA-N 0 0 401.459 3.244 20 0 HGADRN COc1cc(C[C@H]([NH2+]Cc2cc(Br)ccc2F)C(=O)[O-])cc(OC)c1 ZINC000426782773 1126090246 /nfs/dbraw/zinc/09/02/46/1126090246.db2.gz IBNZGSAPRKDMGQ-KRWDZBQOSA-N 0 0 412.255 3.391 20 0 HGADRN COc1cc(C[NH2+][C@@H](Cc2ccco2)C(=O)[O-])cc(Br)c1OC(F)F ZINC000426811654 1126091918 /nfs/dbraw/zinc/09/19/18/1126091918.db2.gz UXYQWMCMHFQSID-LBPRGKRZSA-N 0 0 420.206 3.438 20 0 HGADRN COc1cc(OC)c(OC)cc1C[NH2+][C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000426818316 1126092583 /nfs/dbraw/zinc/09/25/83/1126092583.db2.gz VIQMMKARWAYCFQ-KRWDZBQOSA-N 0 0 402.422 3.118 20 0 HGADRN CCCOc1c(Cl)cc(C[NH2+][C@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1OC ZINC001116763542 1126145895 /nfs/dbraw/zinc/14/58/95/1126145895.db2.gz YVHPBCUBCCDFKX-CQSZACIVSA-N 0 0 402.278 3.230 20 0 HGADRN O=C(c1cc2ccccc2oc1=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000583621116 560776148 /nfs/dbraw/zinc/77/61/48/560776148.db2.gz PXVKZFBCELGWHX-QGZVFWFLSA-N 0 0 409.442 3.437 20 0 HGADRN COc1cccc(NC(=O)CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000504335815 568876127 /nfs/dbraw/zinc/87/61/27/568876127.db2.gz ZHUQDDTZBCFYLR-GOSISDBHSA-N 0 0 400.479 3.138 20 0 HGADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@H]3C(=O)Nc4ccccc4[C@H]3C2)nc1Cl ZINC001164405599 718855483 /nfs/dbraw/zinc/85/54/83/718855483.db2.gz 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ZINC001164662797 719345005 /nfs/dbraw/zinc/34/50/05/719345005.db2.gz SQRSTKQTABDJOB-UHFFFAOYSA-N 0 0 423.952 3.407 20 0 HGADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001164665957 719362115 /nfs/dbraw/zinc/36/21/15/719362115.db2.gz ZUMDNVSZVAMEEF-LLVKDONJSA-N 0 0 424.839 3.297 20 0 HGADRN COC(=O)c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1C ZINC001164672290 719503488 /nfs/dbraw/zinc/50/34/88/719503488.db2.gz IJXHOEZYWMGGDC-UHFFFAOYSA-N 0 0 413.493 3.187 20 0 HGADRN COCOc1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1 ZINC001164673385 719510729 /nfs/dbraw/zinc/51/07/29/719510729.db2.gz RBRODAJGAFTBDK-UHFFFAOYSA-N 0 0 401.482 3.075 20 0 HGADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)C1)N1CCCC1 ZINC001164678995 719541240 /nfs/dbraw/zinc/54/12/40/719541240.db2.gz QCRUSGJGHFHKSJ-ILXRZTDVSA-N 0 0 424.879 3.367 20 0 HGADRN Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001164677615 719559532 /nfs/dbraw/zinc/55/95/32/719559532.db2.gz PGVZCPGHLYIZEH-HNNXBMFYSA-N 0 0 411.880 3.220 20 0 HGADRN Cn1ncc2c1CN([C@@H](F)Oc1cccc(Cl)n1)C[C@H]2COc1cccnc1 ZINC001164682444 719597269 /nfs/dbraw/zinc/59/72/69/719597269.db2.gz BXIJKFNHAFPRAQ-ORAYPTAESA-N 0 0 403.845 3.174 20 0 HGADRN COc1ccc(C(F)(F)N2CCc3onc(C(=O)N(C)C(C)C)c3C2)nc1Cl ZINC001164694249 719786494 /nfs/dbraw/zinc/78/64/94/719786494.db2.gz DTNJXNJLKFZQMH-UHFFFAOYSA-N 0 0 414.840 3.320 20 0 HGADRN CCS(=O)(=O)c1ccnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1 ZINC001164700837 719816948 /nfs/dbraw/zinc/81/69/48/719816948.db2.gz MNYPDPKEUNYTIA-UHFFFAOYSA-N 0 0 420.604 3.275 20 0 HGADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1c(Cl)cc(Cl)nc1Cl ZINC001164701636 719846558 /nfs/dbraw/zinc/84/65/58/719846558.db2.gz MRXFJZMDRSAHSP-PIGZYNQJSA-N 0 0 422.740 3.275 20 0 HGADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc2ccccc2cc1Cl ZINC001164699348 719850052 /nfs/dbraw/zinc/85/00/52/719850052.db2.gz HNWIPNKBHWVKPA-IERDGZPVSA-N 0 0 403.910 3.121 20 0 HGADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2c(Cl)cccc2n1 ZINC001164706355 719852665 /nfs/dbraw/zinc/85/26/65/719852665.db2.gz WNMUHYJHTMZPOX-VFNWGFHPSA-N 0 0 403.910 3.121 20 0 HGADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2ccc(Cl)cc2n1 ZINC001164697743 719860437 /nfs/dbraw/zinc/86/04/37/719860437.db2.gz AADACFQOKPXNKN-DYESRHJHSA-N 0 0 403.910 3.121 20 0 HGADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc2c(C)ccc(F)c2cc1C ZINC001164698732 719860521 /nfs/dbraw/zinc/86/05/21/719860521.db2.gz DGRRMKWIHFDKQL-SBUREZEXSA-N 0 0 415.509 3.223 20 0 HGADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)ncn2)cs1 ZINC001164816389 720249458 /nfs/dbraw/zinc/24/94/58/720249458.db2.gz IPQXJIZKKWQWNF-QWHCGFSZSA-N 0 0 413.881 3.210 20 0 HGADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)n2)cs1 ZINC001164816029 720249772 /nfs/dbraw/zinc/24/97/72/720249772.db2.gz FNGNHRUGZTXATP-QWHCGFSZSA-N 0 0 413.881 3.210 20 0 HGADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nn2)cs1 ZINC001164815649 720252463 /nfs/dbraw/zinc/25/24/63/720252463.db2.gz CZJRGMBFACCCLY-QWHCGFSZSA-N 0 0 413.881 3.210 20 0 HGADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc(Cl)nn3)[C@H]3CCCO[C@H]23)cs1 ZINC001164820424 720387954 /nfs/dbraw/zinc/38/79/54/720387954.db2.gz BHNDKVBPCIBALZ-ZENOOKHLSA-N 0 0 416.881 3.393 20 0 HGADRN CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164729059 720396357 /nfs/dbraw/zinc/39/63/57/720396357.db2.gz UWPIDCINDBWIQH-KGLIPLIRSA-N 0 0 422.316 3.208 20 0 HGADRN COc1cc(C(F)(F)N2CC[C@@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)cc(Cl)n1 ZINC001164829586 720402100 /nfs/dbraw/zinc/40/21/00/720402100.db2.gz NGBHOGDLBKHFQC-FRRDWIJNSA-N 0 0 400.813 3.479 20 0 HGADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164734397 720426705 /nfs/dbraw/zinc/42/67/05/720426705.db2.gz RXWXSZNJYVOLCW-DLBZAZTESA-N 0 0 422.863 3.315 20 0 HGADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164727162 720436202 /nfs/dbraw/zinc/43/62/02/720436202.db2.gz DEQNAZJXBBGDAJ-DLBZAZTESA-N 0 0 422.863 3.315 20 0 HGADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164732030 720443447 /nfs/dbraw/zinc/44/34/47/720443447.db2.gz MVNWVROQKWLVLH-DLBZAZTESA-N 0 0 405.880 3.412 20 0 HGADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)Oc1cccc(Cl)n1)C2 ZINC001164726184 720500170 /nfs/dbraw/zinc/50/01/70/720500170.db2.gz KOWUNULPFRFSCS-RDTXWAMCSA-N 0 0 424.835 3.179 20 0 HGADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746288 720622318 /nfs/dbraw/zinc/62/23/18/720622318.db2.gz WXYFQJZNAZLETI-STQMWFEESA-N 0 0 416.259 3.065 20 0 HGADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743802 720627649 /nfs/dbraw/zinc/62/76/49/720627649.db2.gz QTZZDPNKCNTZBM-NWDGAFQWSA-N 0 0 416.259 3.065 20 0 HGADRN CC[C@@H]1N(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CCC[C@@]12CCC(=O)N2 ZINC001164842523 720749252 /nfs/dbraw/zinc/74/92/52/720749252.db2.gz FTLYPASRLJJUTA-SCLBCKFNSA-N 0 0 413.900 3.303 20 0 HGADRN 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CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(Cl)ncn1)CC2 ZINC001164965873 722066296 /nfs/dbraw/zinc/06/62/96/722066296.db2.gz QGCSPVBDEQQVHU-UHFFFAOYSA-N 0 0 415.897 3.122 20 0 HGADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@H]2C1 ZINC001164974155 722084567 /nfs/dbraw/zinc/08/45/67/722084567.db2.gz PJVQTRDKJOQTAU-JGPRNRPPSA-N 0 0 405.276 3.459 20 0 HGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cnnc(Cl)c3)C[C@H]21 ZINC001164981245 722097477 /nfs/dbraw/zinc/09/74/77/722097477.db2.gz KPVOYLHNKYVJFF-ZMSDIMECSA-N 0 0 407.852 3.221 20 0 HGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(N)cc(Cl)n3)C[C@H]21 ZINC001164986546 722097709 /nfs/dbraw/zinc/09/77/09/722097709.db2.gz ZHCJODXKSXSRHM-HDMKZQKVSA-N 0 0 421.879 3.408 20 0 HGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cncc(Cl)n3)C[C@@H]21 ZINC001164977224 722097843 /nfs/dbraw/zinc/09/78/43/722097843.db2.gz FGNFPKWRXBRITJ-GRDNDAEWSA-N 0 0 407.852 3.221 20 0 HGADRN 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QTUCYACOISDKJR-FPMFFAJLSA-N 0 0 405.898 3.381 20 0 HGADRN COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)cc2C)[C@H]1Cc1cnn(C)c1 ZINC001165000721 722223688 /nfs/dbraw/zinc/22/36/88/722223688.db2.gz YGEXZBZCOCKOMB-IRXDYDNUSA-N 0 0 414.884 3.175 20 0 HGADRN CC(C)CN1c2ccccc2[C@@H]2CN(c3ccnc(N4CCN(C)CC4)n3)CC[C@H]21 ZINC001165005693 722245554 /nfs/dbraw/zinc/24/55/54/722245554.db2.gz VQQMAPZVKSQTAQ-RBBKRZOGSA-N 0 0 406.578 3.067 20 0 HGADRN O=C(Nc1cccnc1)c1noc2c1CN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001165001392 722247857 /nfs/dbraw/zinc/24/78/57/722247857.db2.gz PQGOOXDOYOTCOY-GOSISDBHSA-N 0 0 403.801 3.061 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc(Cl)ccc1Cl)C2 ZINC001165002945 722263355 /nfs/dbraw/zinc/26/33/55/722263355.db2.gz AHYYXIOQNUHMQF-LJQANCHMSA-N 0 0 409.292 3.455 20 0 HGADRN Cc1cc2ncnc(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c2s1 ZINC001165005296 722266813 /nfs/dbraw/zinc/26/68/13/722266813.db2.gz ADEQWXLCHGFREN-OAQYLSRUSA-N 0 0 411.506 3.066 20 0 HGADRN Cc1cc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc(-c2ccco2)n1 ZINC001165006843 722269050 /nfs/dbraw/zinc/26/90/50/722269050.db2.gz RNFJFLYQNCDWIC-HSZRJFAPSA-N 0 0 421.476 3.112 20 0 HGADRN CCSc1ccnc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1 ZINC001165004833 722270198 /nfs/dbraw/zinc/27/01/98/722270198.db2.gz CWBZXMGMNZWXNE-NRFANRHFSA-N 0 0 400.523 3.260 20 0 HGADRN COc1cccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)[NH+]2CCCC2)c1 ZINC000780349506 939107871 /nfs/dbraw/zinc/10/78/71/939107871.db2.gz VSDLSCXSSWVZPN-UXHICEINSA-N 0 0 403.523 3.165 20 0 HGADRN Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000780392618 939113879 /nfs/dbraw/zinc/11/38/79/939113879.db2.gz PAGSIENKVLJPDI-JOCHJYFZSA-N 0 0 424.545 3.022 20 0 HGADRN C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2)C[C@H](C)O1 ZINC000780392851 939115140 /nfs/dbraw/zinc/11/51/40/939115140.db2.gz SEGWVHCIICDZBK-FVJLSDCUSA-N 0 0 417.550 3.129 20 0 HGADRN CC1(C)C[N@@H+](C2(CNC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)CCCCC2)CCO1 ZINC000780568817 939133435 /nfs/dbraw/zinc/13/34/35/939133435.db2.gz OZROUECIANZIBN-GOSISDBHSA-N 0 0 409.571 3.133 20 0 HGADRN Cc1[nH]c2ccccc2c1CC(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001263627292 939828069 /nfs/dbraw/zinc/82/80/69/939828069.db2.gz GPFHGJNOBLKHCS-XMMPIXPASA-N 0 0 405.498 3.254 20 0 HGADRN OC[C@H](Cc1ccccc1)NCc1c(Br)cncc1Br ZINC000394535313 1126080314 /nfs/dbraw/zinc/08/03/14/1126080314.db2.gz RHIUWIFDNASGCD-LBPRGKRZSA-N 0 0 400.114 3.300 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000426663640 1126081355 /nfs/dbraw/zinc/08/13/55/1126081355.db2.gz MREXSZBCWGTUEE-LJQANCHMSA-N 0 0 419.403 3.441 20 0 HGADRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C(=O)[O-])n1 ZINC000426724421 1126082943 /nfs/dbraw/zinc/08/29/43/1126082943.db2.gz SGMSUIYDSOLBGT-ZDUSSCGKSA-N 0 0 418.238 3.107 20 0 HGADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(F)cc1Br ZINC000426757429 1126088125 /nfs/dbraw/zinc/08/81/25/1126088125.db2.gz OTMGCDBEZQNYRV-LLVKDONJSA-N 0 0 410.165 3.047 20 0 HGADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(F)cc1Br ZINC000426757430 1126088193 /nfs/dbraw/zinc/08/81/93/1126088193.db2.gz OTMGCDBEZQNYRV-NSHDSACASA-N 0 0 410.165 3.047 20 0 HGADRN COc1cc(OC)c(OC)cc1C[NH2+][C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426745253 1126086361 /nfs/dbraw/zinc/08/63/61/1126086361.db2.gz GEQGGMHTYANUAN-HNNXBMFYSA-N 0 0 424.291 3.260 20 0 HGADRN COc1cc(C[C@H]([NH2+]Cc2cc(F)ccc2Br)C(=O)[O-])cc(OC)c1 ZINC000426808330 1126091673 /nfs/dbraw/zinc/09/16/73/1126091673.db2.gz LQWCBIMJZOQDFP-KRWDZBQOSA-N 0 0 412.255 3.391 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2ccc(OC)c(Br)c2)C(=O)[O-])cc(OC)c1 ZINC000426811797 1126091931 /nfs/dbraw/zinc/09/19/31/1126091931.db2.gz ONTOLZMFPVBLNJ-QGZVFWFLSA-N 0 0 424.291 3.260 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000426828697 1126092997 /nfs/dbraw/zinc/09/29/97/1126092997.db2.gz ZNOHPNCRPKCPKU-GOSISDBHSA-N 0 0 405.376 3.398 20 0 HGADRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000556323450 1126096958 /nfs/dbraw/zinc/09/69/58/1126096958.db2.gz ODMFMAAVPXALPQ-SFHVURJKSA-N 0 0 400.276 3.420 20 0 HGADRN COc1ccc(C[NH2+][C@@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1OCc1ccccc1 ZINC001116780654 1126146293 /nfs/dbraw/zinc/14/62/93/1126146293.db2.gz VHJGSGRJDREUED-SFHVURJKSA-N 0 0 415.877 3.367 20 0 HGADRN COc1cccc(-c2nnc(CN[C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)o2)c1 ZINC001197295663 1126153800 /nfs/dbraw/zinc/15/38/00/1126153800.db2.gz HGRADUWCWSOOJA-AEFFLSMTSA-N 0 0 407.392 3.369 20 0 HGADRN COc1ccc(C[C@@](C)(CO)NCc2nc3ccccn3c2Br)cc1 ZINC001474697695 1126205001 /nfs/dbraw/zinc/20/50/01/1126205001.db2.gz CDEQBNOGYUTYRH-IBGZPJMESA-N 0 0 404.308 3.189 20 0 HGADRN O=C(CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1)Nc1cccnc1Cl ZINC000583621800 560777024 /nfs/dbraw/zinc/77/70/24/560777024.db2.gz TUSKTUFTPGRAIX-HNNXBMFYSA-N 0 0 405.886 3.178 20 0 HGADRN 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AYHDWPIFJFBVAJ-RAIGVLPGSA-N 0 0 406.260 3.053 20 0 HGADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@@H]2CN1Cc1ccncc1 ZINC001164854211 720809651 /nfs/dbraw/zinc/80/96/51/720809651.db2.gz UHKVLFPKQKYPON-STQMWFEESA-N 0 0 413.255 3.423 20 0 HGADRN O=C1[C@H]2CN(C(F)(F)Sc3ccc(Cl)nc3)C[C@@H]2CN1Cc1ccncc1 ZINC001164849818 720814154 /nfs/dbraw/zinc/81/41/54/720814154.db2.gz GVWXLTBXGBLJRC-ZFWWWQNUSA-N 0 0 410.877 3.363 20 0 HGADRN O=C([C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)cnc2Cl)O1)N1CCCO1 ZINC001164847398 720818141 /nfs/dbraw/zinc/81/81/41/720818141.db2.gz JLXHPRRENRMERM-IHRRRGAJSA-N 0 0 422.259 3.224 20 0 HGADRN O=C([C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)ncc2Cl)O1)N1CCCO1 ZINC001164845751 720818248 /nfs/dbraw/zinc/81/82/48/720818248.db2.gz BTRWFQBWHMJEQK-MCIONIFRSA-N 0 0 422.259 3.224 20 0 HGADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)C2 ZINC001164846313 720827064 /nfs/dbraw/zinc/82/70/64/720827064.db2.gz DHQUFZCYMYWJTM-YOEHRIQHSA-N 0 0 404.841 3.088 20 0 HGADRN O=C(c1cccnc1)N1CCC2(CCN([C@@H](F)Oc3ccnc(Cl)c3)C2)CC1 ZINC001164858740 720893672 /nfs/dbraw/zinc/89/36/72/720893672.db2.gz OKIOROJQEMZGRC-LJQANCHMSA-N 0 0 404.873 3.390 20 0 HGADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cc(Cl)ncn3)C2)C1)c1ccccc1 ZINC001164855207 720896822 /nfs/dbraw/zinc/89/68/22/720896822.db2.gz ARSXBCGZOWKVBF-DNVCBOLYSA-N 0 0 422.863 3.233 20 0 HGADRN CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3ccc(Cl)nc3Cl)C[C@@H]21 ZINC001164758569 720987592 /nfs/dbraw/zinc/98/75/92/720987592.db2.gz WIZSGXKQTUIGDU-GVXVVHGQSA-N 0 0 423.291 3.046 20 0 HGADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21 ZINC001164759225 721003184 /nfs/dbraw/zinc/00/31/84/721003184.db2.gz YNYLLBCKQHJFLQ-AGIUHOORSA-N 0 0 417.243 3.144 20 0 HGADRN COc1ccc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)nc1Cl ZINC001164759689 721006788 /nfs/dbraw/zinc/00/67/88/721006788.db2.gz MZIGQHUHQXKYIS-LZWOXQAQSA-N 0 0 411.836 3.104 20 0 HGADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@H]21 ZINC001164762369 721008573 /nfs/dbraw/zinc/00/85/73/721008573.db2.gz VEUDHQPJGBXUBH-OLMNPRSZSA-N 0 0 422.863 3.368 20 0 HGADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164762371 721008981 /nfs/dbraw/zinc/00/89/81/721008981.db2.gz VEUDHQPJGBXUBH-WBAXXEDZSA-N 0 0 422.863 3.368 20 0 HGADRN FC(F)(c1nccc(Cl)n1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164760540 721026358 /nfs/dbraw/zinc/02/63/58/721026358.db2.gz PQJXBJYYAXWZAE-QAPCUYQASA-N 0 0 410.852 3.415 20 0 HGADRN FC(F)(c1cnc(Cl)nc1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164763796 721026540 /nfs/dbraw/zinc/02/65/40/721026540.db2.gz LDIYHVHVDKYYSJ-WMZOPIPTSA-N 0 0 410.852 3.415 20 0 HGADRN FC(F)(c1cncc(Cl)n1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164770242 721029746 /nfs/dbraw/zinc/02/97/46/721029746.db2.gz XEUFBJZNCLJITQ-MAUKXSAKSA-N 0 0 410.852 3.415 20 0 HGADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2nc(C)cc(Cl)n2)n1 ZINC001164771201 721049973 /nfs/dbraw/zinc/04/99/73/721049973.db2.gz LXDZRIPWJGAIRA-CABCVRRESA-N 0 0 407.852 3.067 20 0 HGADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(C)nc(Cl)n2)n1 ZINC001164774547 721051642 /nfs/dbraw/zinc/05/16/42/721051642.db2.gz VZOVJCKVHQXDQK-LSDHHAIUSA-N 0 0 407.852 3.067 20 0 HGADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4nc(Cl)ccc4F)C[C@H]32)N=C1C ZINC001164870176 721229633 /nfs/dbraw/zinc/22/96/33/721229633.db2.gz GCQYKCBGKDWFSR-PSTGCABASA-N 0 0 400.832 3.285 20 0 HGADRN O=C(N1CCCC1)C12CC(C1)CN2c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164871127 721237174 /nfs/dbraw/zinc/23/71/74/721237174.db2.gz CWEUHDVRELMCNV-UHFFFAOYSA-N 0 0 423.948 3.237 20 0 HGADRN F[C@@H](Oc1cccc(Cl)n1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164767993 721274047 /nfs/dbraw/zinc/27/40/47/721274047.db2.gz IPFWUUKMZMQCES-AUUYWEPGSA-N 0 0 403.845 3.169 20 0 HGADRN Cc1cccc(N2CCC[C@@]3(C2)CN([C@H](F)Oc2ccc(Cl)nn2)CCO3)c1 ZINC001164774890 721305680 /nfs/dbraw/zinc/30/56/80/721305680.db2.gz KJIUHSBWPWBSAX-VQTJNVASSA-N 0 0 406.889 3.442 20 0 HGADRN 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721325107 /nfs/dbraw/zinc/32/51/07/721325107.db2.gz ULZVTAJUSNZFQP-GFCCVEGCSA-N 0 0 414.815 3.416 20 0 HGADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3)C[C@@H]2C1 ZINC001164885307 721346830 /nfs/dbraw/zinc/34/68/30/721346830.db2.gz POPNRJOFASHUJR-DOTOQJQBSA-N 0 0 407.848 3.257 20 0 HGADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3)C[C@H]2C1 ZINC001164885309 721346970 /nfs/dbraw/zinc/34/69/70/721346970.db2.gz POPNRJOFASHUJR-NVXWUHKLSA-N 0 0 407.848 3.257 20 0 HGADRN COc1cc(Cl)nc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164776799 721347466 /nfs/dbraw/zinc/34/74/66/721347466.db2.gz CXARGXFCLPMKJT-NRFANRHFSA-N 0 0 420.941 3.467 20 0 HGADRN O=C1CO[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3F)C[C@H]2N1c1cccc(F)c1 ZINC001164882982 721362717 /nfs/dbraw/zinc/36/27/17/721362717.db2.gz MEHMPLLSNPRUOR-ZIAGYGMSSA-N 0 0 415.774 3.179 20 0 HGADRN Cc1ccc(C(F)(F)N2C[C@@H]3[C@H](C2)OCC(=O)N3c2cccc(F)c2)nc1Cl ZINC001164882407 721364396 /nfs/dbraw/zinc/36/43/96/721364396.db2.gz 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CC(C)Oc1ncnc2c1CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164693598 719791312 /nfs/dbraw/zinc/79/13/12/719791312.db2.gz BEFDSIVPEOIRDR-UHFFFAOYSA-N 0 0 409.868 3.346 20 0 HGADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001164693886 719800186 /nfs/dbraw/zinc/80/01/86/719800186.db2.gz VORYWXXDTGCTLY-SJORKVTESA-N 0 0 417.847 3.317 20 0 HGADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164693225 719801484 /nfs/dbraw/zinc/80/14/84/719801484.db2.gz QZDNRWLDLNKCRQ-IRXDYDNUSA-N 0 0 417.847 3.317 20 0 HGADRN COC[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)Cc2cn(C)nc21 ZINC001164694149 719832403 /nfs/dbraw/zinc/83/24/03/719832403.db2.gz FQAYRNPLOKOSLE-AWEZNQCLSA-N 0 0 420.851 3.221 20 0 HGADRN COC[C@@H]1CN([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)Cc2cn(C)nc21 ZINC001164696826 719832794 /nfs/dbraw/zinc/83/27/94/719832794.db2.gz VLJNVQBJJIRISF-MGPUTAFESA-N 0 0 417.872 3.408 20 0 HGADRN O=C1COC2(CCN(C(F)(F)c3cnnc(Cl)c3)CC2)CN1c1ccccc1 ZINC001164695515 719836569 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404.870 3.143 20 0 HGADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nn2)cs1 ZINC001164815639 720252558 /nfs/dbraw/zinc/25/25/58/720252558.db2.gz CZJRGMBFACCCLY-CHWSQXEVSA-N 0 0 413.881 3.210 20 0 HGADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cncc(Cl)n2)cs1 ZINC001164817758 720256805 /nfs/dbraw/zinc/25/68/05/720256805.db2.gz UJXDWSOPVZNGPJ-QWHCGFSZSA-N 0 0 413.881 3.210 20 0 HGADRN Cc1ccc(Cl)nc1C(F)(F)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001164817325 720265435 /nfs/dbraw/zinc/26/54/35/720265435.db2.gz CSBQYFXLOFBTJG-AWEZNQCLSA-N 0 0 409.868 3.044 20 0 HGADRN Cc1nc(CN2CCN(C)C3(CCN(c4cc5ccccc5cn4)CC3)C2=O)cs1 ZINC001164826487 720363576 /nfs/dbraw/zinc/36/35/76/720363576.db2.gz WAEXWRNFHZRINA-UHFFFAOYSA-N 0 0 421.570 3.313 20 0 HGADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccnc(Cl)n3)[C@H]3CCCO[C@H]23)cs1 ZINC001164820402 720386152 /nfs/dbraw/zinc/38/61/52/720386152.db2.gz ATUZLCVRUWBJNO-GUTXKFCHSA-N 0 0 416.881 3.393 20 0 HGADRN 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720497526 /nfs/dbraw/zinc/49/75/26/720497526.db2.gz YRTPAXIRMIKJCO-CRAIPNDOSA-N 0 0 408.836 3.299 20 0 HGADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164722460 720497625 /nfs/dbraw/zinc/49/76/25/720497625.db2.gz ARXLBUBIKZSTNS-CRAIPNDOSA-N 0 0 408.836 3.299 20 0 HGADRN F[C@H](Oc1ccc(Cl)nn1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164736240 720542932 /nfs/dbraw/zinc/54/29/32/720542932.db2.gz WGMPNNPYVFMEBK-ZOCIIQOWSA-N 0 0 408.861 3.107 20 0 HGADRN CC[C@H]1N(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CCC[C@@]12CCC(=O)N2 ZINC001164842521 720748736 /nfs/dbraw/zinc/74/87/36/720748736.db2.gz FTLYPASRLJJUTA-FZKQIMNGSA-N 0 0 413.900 3.303 20 0 HGADRN CC[C@H]1N(C(F)(F)c2ccc(C(=O)OC)nc2Cl)CCC[C@@]12CCC(=O)N2 ZINC001164842400 720750895 /nfs/dbraw/zinc/75/08/95/720750895.db2.gz DLZRRKGUTPBNKQ-CXAGYDPISA-N 0 0 401.841 3.094 20 0 HGADRN CC[C@@H]1N(C(F)(F)c2ccc(Cl)nc2C(=O)OC)CCC[C@@]12CCC(=O)N2 ZINC001164842002 720750921 /nfs/dbraw/zinc/75/09/21/720750921.db2.gz 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ZINC001164852631 720813903 /nfs/dbraw/zinc/81/39/03/720813903.db2.gz OACKQUUQZLWPSD-WBVHZDCISA-N 0 0 418.875 3.345 20 0 HGADRN O=C(NCCc1ccccc1)[C@]12COC[C@@H]1CN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001164855755 720815613 /nfs/dbraw/zinc/81/56/13/720815613.db2.gz YUYYWKRFSQJERA-FXAWDEMLSA-N 0 0 421.875 3.092 20 0 HGADRN COC[C@@]12CCCO[C@@H]1CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164846533 720824993 /nfs/dbraw/zinc/82/49/93/720824993.db2.gz FLDGCOBQVLYQAC-VWNXMTODSA-N 0 0 408.546 3.057 20 0 HGADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164849593 720828687 /nfs/dbraw/zinc/82/86/87/720828687.db2.gz QTBRQDXURCHFSB-GUYCJALGSA-N 0 0 414.840 3.352 20 0 HGADRN COC[C@]12CCCO[C@@H]1CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164846628 720829080 /nfs/dbraw/zinc/82/90/80/720829080.db2.gz FYLZPYKNKYYTHD-RHSMWYFYSA-N 0 0 419.856 3.394 20 0 HGADRN Cc1nc([C@@H]2COCCN2[C@](F)(COc2cncc(Cl)n2)C(F)F)cs1 ZINC001164745474 720864387 /nfs/dbraw/zinc/86/43/87/720864387.db2.gz DSSIPUQPHZKWRO-XHDPSFHLSA-N 0 0 408.833 3.278 20 0 HGADRN Cc1nc([C@H]2COCCN2[C@](F)(COc2cncc(Cl)n2)C(F)F)cs1 ZINC001164745468 720864758 /nfs/dbraw/zinc/86/47/58/720864758.db2.gz DSSIPUQPHZKWRO-IAQYHMDHSA-N 0 0 408.833 3.278 20 0 HGADRN CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@@H]21 ZINC001164757604 720986854 /nfs/dbraw/zinc/98/68/54/720986854.db2.gz PKOCJRMJRLWBQM-MJVIPROJSA-N 0 0 423.291 3.046 20 0 HGADRN FC(F)(c1cnc(Cl)nc1Cl)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21 ZINC001164757041 721002462 /nfs/dbraw/zinc/00/24/62/721002462.db2.gz MENKNOVNIBXHHT-XBFCOCLRSA-N 0 0 417.243 3.144 20 0 HGADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164759226 721003385 /nfs/dbraw/zinc/00/33/85/721003385.db2.gz YNYLLBCKQHJFLQ-AVGNSLFASA-N 0 0 417.243 3.144 20 0 HGADRN FC(F)(COc1cccc(Cl)n1)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21 ZINC001164757669 721007049 /nfs/dbraw/zinc/00/70/49/721007049.db2.gz FVXJOLXDTUQALM-PMPSAXMXSA-N 0 0 411.836 3.018 20 0 HGADRN 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DRLUSWLPOUCIHW-JQFCIGGWSA-N 0 0 424.879 3.337 20 0 HGADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1nc2ccccc2nc1Cl ZINC001164994784 722215427 /nfs/dbraw/zinc/21/54/27/722215427.db2.gz DJCOGOLHCXNTCI-MAZHCROVSA-N 0 0 424.879 3.337 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3cccc4c(Cl)ncnc43)[C@H]2C1 ZINC001164996135 722216134 /nfs/dbraw/zinc/21/61/34/722216134.db2.gz LVTHGTWHXPTDDW-RCBQFDQVSA-N 0 0 424.879 3.337 20 0 HGADRN O=C1C[C@]2(CCN(C(F)(F)c3ccnc(Cl)n3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164997422 722219257 /nfs/dbraw/zinc/21/92/57/722219257.db2.gz DKNLNEGKDIJWHC-SFHVURJKSA-N 0 0 422.819 3.037 20 0 HGADRN O=C1C[C@@]2(CCN(C(F)(F)c3cnc(Cl)cn3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164998935 722219282 /nfs/dbraw/zinc/21/92/82/722219282.db2.gz NFKQNYFZYQYRCF-GOSISDBHSA-N 0 0 422.819 3.037 20 0 HGADRN O=C1C[C@]2(CCN([C@H](F)Oc3ccnc(Cl)c3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164998307 722219668 /nfs/dbraw/zinc/21/96/68/722219668.db2.gz IHXNVBMSAXJUIJ-PMACEKPBSA-N 0 0 419.840 3.225 20 0 HGADRN O=C1C[C@@]2(CCN([C@H](F)Oc3ccnc(Cl)c3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164998312 722219800 /nfs/dbraw/zinc/21/98/00/722219800.db2.gz IHXNVBMSAXJUIJ-VQTJNVASSA-N 0 0 419.840 3.225 20 0 HGADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(C)nnc2Cl)n1 ZINC001165001262 722227060 /nfs/dbraw/zinc/22/70/60/722227060.db2.gz XUQVDKVLJJKEJO-AWEZNQCLSA-N 0 0 412.872 3.197 20 0 HGADRN Cc1nc(Cl)cc(C(F)(F)N2CCc3onc(C(=O)Nc4cccnc4)c3C2)n1 ZINC001165001436 722247746 /nfs/dbraw/zinc/24/77/46/722247746.db2.gz QTERVBNIVAOPSX-UHFFFAOYSA-N 0 0 420.807 3.181 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001165004166 722259709 /nfs/dbraw/zinc/25/97/09/722259709.db2.gz NHHIAWIDQFEKKX-LJQANCHMSA-N 0 0 424.854 3.347 20 0 HGADRN Cc1cccc2c1ncnc2N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001165005831 722262287 /nfs/dbraw/zinc/26/22/87/722262287.db2.gz ZYXWJZQNIDNSIV-HSZRJFAPSA-N 0 0 405.477 3.005 20 0 HGADRN O=C([O-])[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000780353872 939108519 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424.291 3.348 20 0 HGADRN O=C([O-])[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000426654826 1126081324 /nfs/dbraw/zinc/08/13/24/1126081324.db2.gz OVNWABPXETVELJ-KRWDZBQOSA-N 0 0 405.376 3.382 20 0 HGADRN O=C([O-])[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000426653737 1126081372 /nfs/dbraw/zinc/08/13/72/1126081372.db2.gz FKZTWHFSLQYYTD-INIZCTEOSA-N 0 0 422.275 3.102 20 0 HGADRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1ncc(Br)cc1Br ZINC000426682006 1126081468 /nfs/dbraw/zinc/08/14/68/1126081468.db2.gz DQRAKGAHYVCOLR-ZDUSSCGKSA-N 0 0 414.097 3.392 20 0 HGADRN Cn1c(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000426719688 1126082010 /nfs/dbraw/zinc/08/20/10/1126082010.db2.gz ISBZZIVDOYTRFF-INIZCTEOSA-N 0 0 415.877 3.174 20 0 HGADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(Br)cc1 ZINC000426721893 1126082432 /nfs/dbraw/zinc/08/24/32/1126082432.db2.gz DUYSWGIIQUVIHQ-INIZCTEOSA-N 0 0 406.276 3.396 20 0 HGADRN 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O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cc(Br)ccc1F ZINC000426750704 1126086988 /nfs/dbraw/zinc/08/69/88/1126086988.db2.gz PQDVKGUCXAIQJO-NSHDSACASA-N 0 0 410.165 3.047 20 0 HGADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cc(Br)ccc1F ZINC000426750703 1126087043 /nfs/dbraw/zinc/08/70/43/1126087043.db2.gz PQDVKGUCXAIQJO-LLVKDONJSA-N 0 0 410.165 3.047 20 0 HGADRN COc1cc2c(c(C[NH2+][C@H](Cc3ccc(OC(F)F)cc3)C(=O)[O-])c1)O[C@H](C)C2 ZINC000426827294 1126093131 /nfs/dbraw/zinc/09/31/31/1126093131.db2.gz VXWDRQXANQKRBT-KZULUSFZSA-N 0 0 407.413 3.406 20 0 HGADRN Cc1cc(C)cc(-n2ncc(C[NH2+][C@H](Cc3c(F)cccc3Cl)C(=O)[O-])n2)c1 ZINC000756377958 1126107813 /nfs/dbraw/zinc/10/78/13/1126107813.db2.gz BSIUEEQVRSZFPG-LJQANCHMSA-N 0 0 402.857 3.462 20 0 HGADRN COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)c2cc1OC ZINC000013474775 132455778 /nfs/dbraw/zinc/45/57/78/132455778.db2.gz MFYIDOFWFKUPLT-UHFFFAOYSA-N 0 0 407.474 3.310 20 0 HGADRN O=C(CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1)Nc1cccnc1Cl ZINC000583621801 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722260253 /nfs/dbraw/zinc/26/02/53/722260253.db2.gz LUHKUQVWJZULRW-LJQANCHMSA-N 0 0 409.292 3.455 20 0 HGADRN Cc1nc2ccccc2c(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1 ZINC001165005377 722262280 /nfs/dbraw/zinc/26/22/80/722262280.db2.gz WIQNAMVKRJWXBP-QHCPKHFHSA-N 0 0 405.477 3.005 20 0 HGADRN Cc1nc2ccc(F)cc2c(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1 ZINC001165003202 722262463 /nfs/dbraw/zinc/26/24/63/722262463.db2.gz DCWAMRPRHGVUEV-QHCPKHFHSA-N 0 0 423.467 3.144 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nccc3c(F)cccc31)C2 ZINC001165007200 722265372 /nfs/dbraw/zinc/26/53/72/722265372.db2.gz QCIJGRZNXOGVCV-QHCPKHFHSA-N 0 0 408.452 3.441 20 0 HGADRN CCc1cc2c(ccnc2N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)o1 ZINC001165007443 722270291 /nfs/dbraw/zinc/27/02/91/722270291.db2.gz WHAXNVTZHATNRX-QHCPKHFHSA-N 0 0 408.477 3.457 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccc3c4c([nH]c31)CCC4)C2 ZINC001165007941 722270357 /nfs/dbraw/zinc/27/03/57/722270357.db2.gz ZDQVIYWBDOHVQM-XMMPIXPASA-N 0 0 419.504 3.118 20 0 HGADRN O=C([O-])[C@]1(NC(=O)CCCOc2cccc(F)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123372779 939822240 /nfs/dbraw/zinc/82/22/40/939822240.db2.gz USBWYFNLNARHTN-QHCPKHFHSA-N 0 0 414.477 3.220 20 0 HGADRN COc1ccccc1[C@@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001263627189 939827978 /nfs/dbraw/zinc/82/79/78/939827978.db2.gz BEGVCIZZWLNANL-UUOWRZLLSA-N 0 0 410.514 3.424 20 0 HGADRN O=C([O-])[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000426662922 1126081334 /nfs/dbraw/zinc/08/13/34/1126081334.db2.gz IDQPCZAHWNVKAG-KRWDZBQOSA-N 0 0 401.260 3.488 20 0 HGADRN COc1cc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])ccc1SC ZINC000426720564 1126082124 /nfs/dbraw/zinc/08/21/24/1126082124.db2.gz NSCXJBCRSYODQS-MRXNPFEDSA-N 0 0 403.500 3.364 20 0 HGADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000426721185 1126082208 /nfs/dbraw/zinc/08/22/08/1126082208.db2.gz AIMMEELVSIFJPY-JTQLQIEISA-N 0 0 402.423 3.330 20 0 HGADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccccc1Br ZINC000426726418 1126083466 /nfs/dbraw/zinc/08/34/66/1126083466.db2.gz JMPQVAHNABWZJA-INIZCTEOSA-N 0 0 406.276 3.396 20 0 HGADRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426735177 1126084766 /nfs/dbraw/zinc/08/47/66/1126084766.db2.gz SCUWGLGBDHTZIR-INIZCTEOSA-N 0 0 409.248 3.499 20 0 HGADRN COc1cc(Cl)c(C[NH2+][C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1Cl ZINC000426756808 1126088106 /nfs/dbraw/zinc/08/81/06/1126088106.db2.gz ARJMYYSUPBMVKO-LLVKDONJSA-N 0 0 412.195 3.460 20 0 HGADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000426762967 1126089013 /nfs/dbraw/zinc/08/90/13/1126089013.db2.gz OXNLHRRNFRAHRA-JTQLQIEISA-N 0 0 402.423 3.330 20 0 HGADRN COc1cc(C)nc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])c1 ZINC000426764982 1126089326 /nfs/dbraw/zinc/08/93/26/1126089326.db2.gz ZOTHQPVOHANORY-QGZVFWFLSA-N 0 0 418.291 3.428 20 0 HGADRN Cn1c(C[NH2+][C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC000426786585 1126090580 /nfs/dbraw/zinc/09/05/80/1126090580.db2.gz WQHGNXOWUDDYKI-CQSZACIVSA-N 0 0 421.375 3.106 20 0 HGADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000426742647 1126085903 /nfs/dbraw/zinc/08/59/03/1126085903.db2.gz KTQXVCHWERXCEI-GOSISDBHSA-N 0 0 400.276 3.420 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000426746675 1126086490 /nfs/dbraw/zinc/08/64/90/1126086490.db2.gz KNKZPHSUARKRGX-OAHLLOKOSA-N 0 0 410.239 3.145 20 0 HGADRN COc1cc(C[C@H]([NH2+]Cc2csc(Br)c2)C(=O)[O-])cc(OC)c1 ZINC000426804329 1126091232 /nfs/dbraw/zinc/09/12/32/1126091232.db2.gz UAGXYOYSTDRXEE-AWEZNQCLSA-N 0 0 400.294 3.313 20 0 HGADRN COc1cc(C[C@H]([NH2+]Cc2sccc2Br)C(=O)[O-])cc(OC)c1 ZINC000426805105 1126091541 /nfs/dbraw/zinc/09/15/41/1126091541.db2.gz YVVSOZWVQOUDEP-AWEZNQCLSA-N 0 0 400.294 3.313 20 0 HGADRN Cc1cc(C)cc(-n2ncc(C[NH2+][C@@H](Cc3c(F)cccc3Cl)C(=O)[O-])n2)c1 ZINC000756377957 1126107890 /nfs/dbraw/zinc/10/78/90/1126107890.db2.gz BSIUEEQVRSZFPG-IBGZPJMESA-N 0 0 402.857 3.462 20 0 HGADRN C[C@](CO)(Cc1ccc(Br)cc1)NCc1nnc(-c2cccc(O)c2)o1 ZINC001198219716 1126155145 /nfs/dbraw/zinc/15/51/45/1126155145.db2.gz RNERQBDCMZISOP-LJQANCHMSA-N 0 0 418.291 3.288 20 0 HGADRN Cc1cnn(C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C(=O)[O-])c1 ZINC001320748986 1126170212 /nfs/dbraw/zinc/17/02/12/1126170212.db2.gz QXAKYGXRECKRDQ-LJQANCHMSA-N 0 0 412.877 3.340 20 0 HGADRN O=C(N1CCN(c2ccccc2F)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002467375 132255165 /nfs/dbraw/zinc/25/51/65/132255165.db2.gz PFQCMOLYZWIRMU-UHFFFAOYSA-N 0 0 422.909 3.134 20 0 HGADRN CN(C)C(=O)[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)c2ccccc2O1 ZINC000021478026 132472470 /nfs/dbraw/zinc/47/24/70/132472470.db2.gz KVMYPAKBFNFOJK-FQEVSTJZSA-N 0 0 423.444 3.296 20 0 HGADRN CCN(CC)C(=O)c1cccc(NC(=O)Cn2c(=O)scc2C(F)(F)F)c1 ZINC000072307034 558766591 /nfs/dbraw/zinc/76/65/91/558766591.db2.gz 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O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2CCCO[C@@H]2C1 ZINC001164420997 718898821 /nfs/dbraw/zinc/89/88/21/718898821.db2.gz OPJBPXKELOFHQD-TZMCWYRMSA-N 0 0 401.841 3.247 20 0 HGADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164432382 718980598 /nfs/dbraw/zinc/98/05/98/718980598.db2.gz HCKNIKQSAXUBFX-NHYWBVRUSA-N 0 0 411.232 3.362 20 0 HGADRN Cc1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@H]32)c(Cl)nn1 ZINC001164646312 719294625 /nfs/dbraw/zinc/29/46/25/719294625.db2.gz AERUFUNHUGKGNJ-ZACQAIPSSA-N 0 0 410.852 3.331 20 0 HGADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)nc4Cl)C[C@@H]3O2)n1 ZINC001164655300 719297650 /nfs/dbraw/zinc/29/76/50/719297650.db2.gz SQRSZPQQXPXMMU-MIMYLULJSA-N 0 0 406.220 3.376 20 0 HGADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C[C@H]3O2)n1 ZINC001164653068 719297993 /nfs/dbraw/zinc/29/79/93/719297993.db2.gz NWBRWVDHQAXKES-LPEHRKFASA-N 0 0 406.220 3.376 20 0 HGADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164651065 719316532 /nfs/dbraw/zinc/31/65/32/719316532.db2.gz HGSCGTOJLZKSMU-UHFFFAOYSA-N 0 0 421.336 3.128 20 0 HGADRN Cc1oncc1C(=O)N[C@@H]1CN(C(C)(C)c2ccnc(Cl)c2)C[C@H]2CCCO[C@@H]21 ZINC001164654545 719321289 /nfs/dbraw/zinc/32/12/89/719321289.db2.gz RLSMWHVOWVMAIK-BJZITVGISA-N 0 0 418.925 3.176 20 0 HGADRN Fc1ccc(Cl)nc1C(F)(F)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001164652759 719327768 /nfs/dbraw/zinc/32/77/68/719327768.db2.gz FMLKSKGRYKTTAD-UHFFFAOYSA-N 0 0 424.814 3.395 20 0 HGADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N(C)C)ncn1)CC2 ZINC001164664519 719345464 /nfs/dbraw/zinc/34/54/64/719345464.db2.gz WVUKUPFJEVHLRM-UHFFFAOYSA-N 0 0 417.561 3.237 20 0 HGADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(C)c(C)n1)CC2 ZINC001164658478 719355375 /nfs/dbraw/zinc/35/53/75/719355375.db2.gz HMTXZBICUVAPOE-UHFFFAOYSA-N 0 0 403.534 3.183 20 0 HGADRN Fc1ccc(CN2CCOCC23CCN([C@@H](F)Oc2cncc(Cl)n2)CC3)cc1 ZINC001164678366 719530106 /nfs/dbraw/zinc/53/01/06/719530106.db2.gz KIZGSUYNEGQUAJ-LJQANCHMSA-N 0 0 424.879 3.268 20 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722214957 /nfs/dbraw/zinc/21/49/57/722214957.db2.gz CLVWHSMACUHXMW-DRZSPHRISA-N 0 0 408.276 3.442 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)[C@H]2C1 ZINC001164994273 722216716 /nfs/dbraw/zinc/21/67/16/722216716.db2.gz AAYVUGASUJSLIY-CWRNSKLLSA-N 0 0 413.896 3.363 20 0 HGADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)Oc2cccnc2Cl)n1 ZINC001165001009 722226464 /nfs/dbraw/zinc/22/64/64/722226464.db2.gz XKDYMKAPKMCRKX-ZDUSSCGKSA-N 0 0 413.856 3.374 20 0 HGADRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(Cl)c1)CCC2 ZINC001164998410 722227936 /nfs/dbraw/zinc/22/79/36/722227936.db2.gz BPBSWNIPEKFHCI-UHFFFAOYSA-N 0 0 404.248 3.176 20 0 HGADRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CCC2 ZINC001164998957 722228212 /nfs/dbraw/zinc/22/82/12/722228212.db2.gz GIXAWLXUUXTHNQ-UHFFFAOYSA-N 0 0 420.851 3.071 20 0 HGADRN CN1CCN(c2ncnc3c2CCN(c2nccc4cc(Cl)ccc42)CC3)CC1 ZINC001164998052 722232252 /nfs/dbraw/zinc/23/22/52/722232252.db2.gz VIRBOJLGFRNSEP-UHFFFAOYSA-N 0 0 408.937 3.035 20 0 HGADRN COc1ccc2ccc(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)nc2c1 ZINC001165005765 722265818 /nfs/dbraw/zinc/26/58/18/722265818.db2.gz CQTNSDVCNFVRAZ-XMMPIXPASA-N 0 0 420.488 3.310 20 0 HGADRN COc1ccc2cnc(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)cc2c1 ZINC001165007211 722266505 /nfs/dbraw/zinc/26/65/05/722266505.db2.gz QIKIRQBQNKIXSV-XMMPIXPASA-N 0 0 420.488 3.310 20 0 HGADRN CCSc1ccnc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1 ZINC001165004835 722270094 /nfs/dbraw/zinc/27/00/94/722270094.db2.gz CWBZXMGMNZWXNE-OAQYLSRUSA-N 0 0 400.523 3.260 20 0 HGADRN CC(C)c1c(Cl)ncnc1N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001165006270 722270301 /nfs/dbraw/zinc/27/03/01/722270301.db2.gz MUGZWPPJMPDBDN-OAQYLSRUSA-N 0 0 417.916 3.320 20 0 HGADRN CCc1nc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c(Cl)nc1C ZINC001165006314 722270754 /nfs/dbraw/zinc/27/07/54/722270754.db2.gz NJOVUBAWVGNSNA-NRFANRHFSA-N 0 0 417.916 3.067 20 0 HGADRN COc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000780342558 939106585 /nfs/dbraw/zinc/10/65/85/939106585.db2.gz UFVHSJMSCQXORR-VQTJNVASSA-N 0 0 403.523 3.165 20 0 HGADRN COc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000780344367 939107267 /nfs/dbraw/zinc/10/72/67/939107267.db2.gz OZRVKKNQHINIKC-NHCUHLMSSA-N 0 0 411.502 3.347 20 0 HGADRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123268595 939818010 /nfs/dbraw/zinc/81/80/10/939818010.db2.gz SSMROTZMJDVGSA-ROKPMTFOSA-N 0 0 408.498 3.034 20 0 HGADRN O=C([O-])[C@@]1(NC(=O)CCCOc2cccc(F)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123372778 939822285 /nfs/dbraw/zinc/82/22/85/939822285.db2.gz USBWYFNLNARHTN-HSZRJFAPSA-N 0 0 414.477 3.220 20 0 HGADRN Cc1cc(Cl)ccc1OCC(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001263627741 939827940 /nfs/dbraw/zinc/82/79/40/939827940.db2.gz VGXQSAYVAPYUAW-QFIPXVFZSA-N 0 0 416.905 3.263 20 0 HGADRN CCCc1nc(C)c(C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)s1 ZINC001263627941 939828028 /nfs/dbraw/zinc/82/80/28/939828028.db2.gz CCCPFKQHHLTKGK-NRFANRHFSA-N 0 0 401.532 3.253 20 0 HGADRN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426663679 1126081347 /nfs/dbraw/zinc/08/13/47/1126081347.db2.gz NAWPUBVTIMSYFJ-LJQANCHMSA-N 0 0 413.840 3.327 20 0 HGADRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000426681498 1126081570 /nfs/dbraw/zinc/08/15/70/1126081570.db2.gz AXLMKRHZXQYJSW-INIZCTEOSA-N 0 0 406.276 3.396 20 0 HGADRN Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](Cc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000426718706 1126081732 /nfs/dbraw/zinc/08/17/32/1126081732.db2.gz BXTKNVBKLXPTJA-HXUWFJFHSA-N 0 0 407.470 3.128 20 0 HGADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cncc(Br)c1 ZINC000426722940 1126082735 /nfs/dbraw/zinc/08/27/35/1126082735.db2.gz XNIWVAAJRCPQCQ-AWEZNQCLSA-N 0 0 414.097 3.392 20 0 HGADRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C(=O)[O-])n1 ZINC000426724336 1126082945 /nfs/dbraw/zinc/08/29/45/1126082945.db2.gz RMRMKNILVGWINT-INIZCTEOSA-N 0 0 403.280 3.054 20 0 HGADRN COc1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1OC(F)F ZINC000426730705 1126084075 /nfs/dbraw/zinc/08/40/75/1126084075.db2.gz AWSZYYDQEGGLCT-OAHLLOKOSA-N 0 0 423.412 3.243 20 0 HGADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000426757099 1126088172 /nfs/dbraw/zinc/08/81/72/1126088172.db2.gz NQIMWINLSRZSJG-NSHDSACASA-N 0 0 402.423 3.330 20 0 HGADRN Cc1cc(C[NH2+][C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])ccc1Br ZINC000426763835 1126089072 /nfs/dbraw/zinc/08/90/72/1126089072.db2.gz UDWMSCFQPVLHPY-GFCCVEGCSA-N 0 0 406.202 3.216 20 0 HGADRN Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000426786575 1126090576 /nfs/dbraw/zinc/09/05/76/1126090576.db2.gz WOIGYHPEJRYXDT-SFHVURJKSA-N 0 0 413.861 3.348 20 0 HGADRN O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000426748196 1126086757 /nfs/dbraw/zinc/08/67/57/1126086757.db2.gz VNHSHMQTERIVQJ-KRWDZBQOSA-N 0 0 408.355 3.211 20 0 HGADRN Cc1cc(C[NH2+][C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])ccc1Br ZINC000426750285 1126086921 /nfs/dbraw/zinc/08/69/21/1126086921.db2.gz MKBILTUFQOLGJA-GOSISDBHSA-N 0 0 415.291 3.124 20 0 HGADRN Cc1ccc(C[NH2+][C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])cc1Br ZINC000426750188 1126086963 /nfs/dbraw/zinc/08/69/63/1126086963.db2.gz LSNSWBUHOQNDEZ-SFHVURJKSA-N 0 0 415.291 3.124 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000426751814 1126087290 /nfs/dbraw/zinc/08/72/90/1126087290.db2.gz YGOIDWRPYGTIKJ-MRXNPFEDSA-N 0 0 409.248 3.499 20 0 HGADRN Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](Cc1ccco1)C(=O)[O-] ZINC000426819270 1126092647 /nfs/dbraw/zinc/09/26/47/1126092647.db2.gz VDPZBITXBTZRDC-QGZVFWFLSA-N 0 0 404.264 3.322 20 0 HGADRN COc1ccc(Br)c(C[NH2+][C@@H](Cc2cc(OC)cc(OC)c2)C(=O)[O-])c1 ZINC000426828832 1126093130 /nfs/dbraw/zinc/09/31/30/1126093130.db2.gz ZZGYXRAEXJXDAA-SFHVURJKSA-N 0 0 424.291 3.260 20 0 HGADRN OCC1(NCc2noc(Cc3ccc(Br)cc3)n2)Cc2ccccc2C1 ZINC000581282553 1126098300 /nfs/dbraw/zinc/09/83/00/1126098300.db2.gz ABUUCLKMJISRPB-UHFFFAOYSA-N 0 0 414.303 3.042 20 0 HGADRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)C(=O)[O-])n1 ZINC000756390946 1126108889 /nfs/dbraw/zinc/10/88/89/1126108889.db2.gz WVZNDXQMMHXIEF-OAQYLSRUSA-N 0 0 408.502 3.334 20 0 HGADRN C[C@@](CO)(Cc1ccccc1F)NCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC001176587217 1126149733 /nfs/dbraw/zinc/14/97/33/1126149733.db2.gz HMMPLMDDZINWJX-NRFANRHFSA-N 0 0 400.523 3.375 20 0 HGADRN OC[C@]1(NCc2ncn(-c3ccccc3)n2)CCc2cc(Br)ccc2C1 ZINC001307927644 1126162038 /nfs/dbraw/zinc/16/20/38/1126162038.db2.gz FBPBBBUZJOOUCB-FQEVSTJZSA-N 0 0 413.319 3.039 20 0 HGADRN O=C([O-])[C@@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC001320748817 1126170002 /nfs/dbraw/zinc/17/00/02/1126170002.db2.gz LJDXOTIAMABSIM-LLVKDONJSA-N 0 0 424.629 3.143 20 0 HGADRN O=C([O-])[C@H](Cn1cc(Cl)cn1)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC001321923652 1126171564 /nfs/dbraw/zinc/17/15/64/1126171564.db2.gz CDZPIFWPQRKHQD-IBGZPJMESA-N 0 0 403.841 3.498 20 0 HGADRN COc1ccc(C[C@](C)(CO)NCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1 ZINC001460854952 1126192169 /nfs/dbraw/zinc/19/21/69/1126192169.db2.gz AXBSLCQLCWMEIM-HXUWFJFHSA-N 0 0 407.392 3.246 20 0 HGADRN Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2cnn(-c3ccccc3)c2)n1 ZINC000032797404 525275150 /nfs/dbraw/zinc/27/51/50/525275150.db2.gz JFUVSZIMFBYTQJ-UHFFFAOYSA-N 0 0 400.490 3.324 20 0 HGADRN Cc1ccc([C@@H](CNC(=O)CC2(O)CCCCC2)NC(=O)CC2(O)CCCCC2)o1 ZINC000095443596 568611151 /nfs/dbraw/zinc/61/11/51/568611151.db2.gz YAIAPGVHZPJQJN-GOSISDBHSA-N 0 0 420.550 3.032 20 0 HGADRN FC1(F)C[C@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164408895 718870910 /nfs/dbraw/zinc/87/09/10/718870910.db2.gz NXIYPZNVBZKGQD-JSGCOSHPSA-N 0 0 406.502 3.104 20 0 HGADRN O=S1(=O)CCN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)CC1 ZINC001164429442 718959308 /nfs/dbraw/zinc/95/93/08/718959308.db2.gz PWLPGMWDANPTQK-UHFFFAOYSA-N 0 0 402.850 3.094 20 0 HGADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164435005 718974606 /nfs/dbraw/zinc/97/46/06/718974606.db2.gz XHHXMFGUUQKZAB-YJBOKZPZSA-N 0 0 411.836 3.377 20 0 HGADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164435020 718975198 /nfs/dbraw/zinc/97/51/98/718975198.db2.gz XOFYJGOKWQUEMP-YJBOKZPZSA-N 0 0 411.836 3.377 20 0 HGADRN CCOC(=O)c1nc2n(n1)CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164617343 719005307 /nfs/dbraw/zinc/00/53/07/719005307.db2.gz STKLZQFZABXHFF-UHFFFAOYSA-N 0 0 407.808 3.222 20 0 HGADRN CS(=O)(=O)c1ccc(Cl)nc1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164621786 719094721 /nfs/dbraw/zinc/09/47/21/719094721.db2.gz AUFYDSOKYXQZJE-SJORKVTESA-N 0 0 405.951 3.239 20 0 HGADRN Cc1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@H]32)nc(Cl)n1 ZINC001164645425 719292935 /nfs/dbraw/zinc/29/29/35/719292935.db2.gz ICJLSJJXBHDUSC-INMHGKMJSA-N 0 0 410.852 3.331 20 0 HGADRN Nc1cc(Cl)nc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)c1 ZINC001164645174 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20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(F)c5cc[nH]c54)CC[C@@H]32)cs1 ZINC001164989963 722184415 /nfs/dbraw/zinc/18/44/15/722184415.db2.gz MXBQBAHZEZLPLL-ZWKOTPCHSA-N 0 0 401.511 3.337 20 0 HGADRN COc1nc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)ccc1Cl ZINC001164985965 722184425 /nfs/dbraw/zinc/18/44/25/722184425.db2.gz CTTGAANVFDPCRX-DLBZAZTESA-N 0 0 408.955 3.378 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(-c5ccncc5)ncn4)CC[C@@H]32)cs1 ZINC001164987675 722185397 /nfs/dbraw/zinc/18/53/97/722185397.db2.gz LHBQYOKXCDYKOH-SFTDATJTSA-N 0 0 422.558 3.173 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(-c5ccncc5)ncn4)CC[C@H]32)cs1 ZINC001164987673 722185429 /nfs/dbraw/zinc/18/54/29/722185429.db2.gz LHBQYOKXCDYKOH-NHCUHLMSSA-N 0 0 422.558 3.173 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nccnc4OCC(C)C)CC[C@@H]32)cs1 ZINC001164985212 722185943 /nfs/dbraw/zinc/18/59/43/722185943.db2.gz AVDMBQVBJYXVFP-RBUKOAKNSA-N 0 0 417.579 3.146 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc5c(nn4)CC[C@@H](C)C5)CC[C@@H]32)cs1 ZINC001164991715 722186206 /nfs/dbraw/zinc/18/62/06/722186206.db2.gz UOUKOTYENVDBDE-GQWLDOHISA-N 0 0 413.591 3.236 20 0 HGADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN([C@H](F)c3ccnc(Cl)c3)C[C@H]12 ZINC001164988786 722187052 /nfs/dbraw/zinc/18/70/52/722187052.db2.gz GKYDKXMCGWURLV-IHPCNDPISA-N 0 0 423.941 3.381 20 0 HGADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001164988766 722187536 /nfs/dbraw/zinc/18/75/36/722187536.db2.gz GFBRHBWMTKLHCS-CQSZACIVSA-N 0 0 417.884 3.261 20 0 HGADRN CCS(=O)(=O)c1ccnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164998494 722213505 /nfs/dbraw/zinc/21/35/05/722213505.db2.gz WCSMYYQFHLENDF-OAQYLSRUSA-N 0 0 403.523 3.259 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)[C@H]2C1 ZINC001164995095 722214181 /nfs/dbraw/zinc/21/41/81/722214181.db2.gz GOUCLUBELJOWRO-RCBQFDQVSA-N 0 0 424.879 3.337 20 0 HGADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cnc(Cl)cc1Cl ZINC001164996916 722214192 /nfs/dbraw/zinc/21/41/92/722214192.db2.gz OMLRBFUIYWHNQI-GDLCADMTSA-N 0 0 408.276 3.442 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cc(Cl)cnc3Cl)[C@@H]2C1 ZINC001164994364 722214221 /nfs/dbraw/zinc/21/42/21/722214221.db2.gz BBGSGAULLORFPL-ZLKJLUDKSA-N 0 0 408.276 3.442 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3c[nH]c4nc(Cl)ccc43)[C@H]2C1 ZINC001164996152 722214877 /nfs/dbraw/zinc/21/48/77/722214877.db2.gz MGKVQFYUKQRFDD-TUKIKUTGSA-N 0 0 412.868 3.270 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)Sc3ccc(Cl)nc3)[C@@H]2C1 ZINC001164997490 722216819 /nfs/dbraw/zinc/21/68/19/722216819.db2.gz QTUCYACOISDKJR-IACUBPJLSA-N 0 0 405.898 3.381 20 0 HGADRN O=C1C[C@@]2(CCN(C(F)(F)c3ccc(Cl)nn3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999242 722219633 /nfs/dbraw/zinc/21/96/33/722219633.db2.gz OJATVEADCZTWSQ-GOSISDBHSA-N 0 0 422.819 3.037 20 0 HGADRN COCCO[C@H]1CCN(C(F)(F)c2cc(Cl)ncc2F)[C@@H]1Cc1cnn(C)c1 ZINC001165000013 722223782 /nfs/dbraw/zinc/22/37/82/722223782.db2.gz VEPYGPNCCXGUPD-CVEARBPZSA-N 0 0 418.847 3.006 20 0 HGADRN COCCO[C@@H]1CCN(C(F)(F)c2cc(C)cc(Cl)n2)[C@H]1Cc1cnn(C)c1 ZINC001165000191 722224072 /nfs/dbraw/zinc/22/40/72/722224072.db2.gz RKQNCGLQFVNUKZ-JKSUJKDBSA-N 0 0 414.884 3.175 20 0 HGADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(C)nc(Cl)n2)n1 ZINC001164999139 722226372 /nfs/dbraw/zinc/22/63/72/722226372.db2.gz IQTLBJPZMDJQJY-ZDUSSCGKSA-N 0 0 412.872 3.197 20 0 HGADRN CSc1ccc(C(F)(F)N2CCCn3cnc(CNC(C)=O)c3C2)nc1Cl ZINC001165000960 722228171 /nfs/dbraw/zinc/22/81/71/722228171.db2.gz WSYHDIIDCZTPRE-UHFFFAOYSA-N 0 0 415.897 3.245 20 0 HGADRN Cc1cc(C(F)(F)N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc(Cl)n1 ZINC001164999847 722247890 /nfs/dbraw/zinc/24/78/90/722247890.db2.gz DETWLWIYCZIHDY-UHFFFAOYSA-N 0 0 420.807 3.181 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001165004165 722259841 /nfs/dbraw/zinc/25/98/41/722259841.db2.gz NHHIAWIDQFEKKX-IBGZPJMESA-N 0 0 424.854 3.347 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN([C@@H](F)c1ccnc(Cl)c1)C2 ZINC001165005460 722264120 /nfs/dbraw/zinc/26/41/20/722264120.db2.gz COIAMTNQLXKNDN-UXHICEINSA-N 0 0 406.864 3.265 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccc3ccc(F)cc31)C2 ZINC001165008667 722265116 /nfs/dbraw/zinc/26/51/16/722265116.db2.gz XKICMAOPSCLINK-HSZRJFAPSA-N 0 0 408.452 3.441 20 0 HGADRN CCc1nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c(Cl)nc1C ZINC001165006319 722270748 /nfs/dbraw/zinc/27/07/48/722270748.db2.gz NJOVUBAWVGNSNA-OAQYLSRUSA-N 0 0 417.916 3.067 20 0 HGADRN C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000780392853 939115311 /nfs/dbraw/zinc/11/53/11/939115311.db2.gz SEGWVHCIICDZBK-LZJOCLMNSA-N 0 0 417.550 3.129 20 0 HGADRN COc1ccccc1[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1)[NH+]1CCCCC1 ZINC000780449961 939123396 /nfs/dbraw/zinc/12/33/96/939123396.db2.gz FUBHXGBAGREIMK-FPOVZHCZSA-N 0 0 411.502 3.347 20 0 HGADRN O=C(COc1ccc2ccccc2c1)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123267427 939817093 /nfs/dbraw/zinc/81/70/93/939817093.db2.gz GABNCOMAIRZRCG-VWLOTQADSA-N 0 0 418.493 3.454 20 0 HGADRN Cc1cc(OCC(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC001123372461 939822353 /nfs/dbraw/zinc/82/23/53/939822353.db2.gz MZDCSCQPMPWTJP-QFIPXVFZSA-N 0 0 416.905 3.263 20 0 HGADRN COc1ccccc1[C@H](C)CC(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001263627186 939828172 /nfs/dbraw/zinc/82/81/72/939828172.db2.gz BEGVCIZZWLNANL-HOYKHHGWSA-N 0 0 410.514 3.424 20 0 HGADRN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000426681499 1126081585 /nfs/dbraw/zinc/08/15/85/1126081585.db2.gz AXLMKRHZXQYJSW-MRXNPFEDSA-N 0 0 406.276 3.396 20 0 HGADRN Cc1ccc(C[NH2+][C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1Br ZINC000426721315 1126082140 /nfs/dbraw/zinc/08/21/40/1126082140.db2.gz RWDQNWMSLNCSJP-LBPRGKRZSA-N 0 0 406.202 3.216 20 0 HGADRN CC(C)n1cc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cn1 ZINC000426757813 1126088190 /nfs/dbraw/zinc/08/81/90/1126088190.db2.gz FSODYGVWWUCMPI-MRXNPFEDSA-N 0 0 405.296 3.493 20 0 HGADRN COc1cc(C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C(=O)[O-])cc(OC)c1 ZINC000426792532 1126090908 /nfs/dbraw/zinc/09/09/08/1126090908.db2.gz JVYIOFPFYUCTBV-KRWDZBQOSA-N 0 0 412.255 3.391 20 0 HGADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000426745675 1126086277 /nfs/dbraw/zinc/08/62/77/1126086277.db2.gz HOFUDOKGJNWCPA-KRWDZBQOSA-N 0 0 420.391 3.119 20 0 HGADRN COCCOc1cccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])c1 ZINC000426748477 1126086803 /nfs/dbraw/zinc/08/68/03/1126086803.db2.gz XXHAVMRAWWWAFY-GOSISDBHSA-N 0 0 408.292 3.260 20 0 HGADRN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cn1 ZINC000426805370 1126091452 /nfs/dbraw/zinc/09/14/52/1126091452.db2.gz AUDTZCNEIGWTMU-MRXNPFEDSA-N 0 0 404.264 3.120 20 0 HGADRN COc1cc(C)nc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])c1 ZINC000426805917 1126091495 /nfs/dbraw/zinc/09/14/95/1126091495.db2.gz HAVGZZWHQMENDU-GOSISDBHSA-N 0 0 418.291 3.428 20 0 HGADRN COc1cccc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])n1 ZINC000426810523 1126091948 /nfs/dbraw/zinc/09/19/48/1126091948.db2.gz ILOVHMIOIHLZRU-MRXNPFEDSA-N 0 0 404.264 3.120 20 0 HGADRN COc1cc(C[C@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)C(=O)[O-])cc(OC)c1 ZINC000426814683 1126092163 /nfs/dbraw/zinc/09/21/63/1126092163.db2.gz AISRGCIKWDANEW-KRWDZBQOSA-N 0 0 403.866 3.029 20 0 HGADRN COc1cc(C[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C(=O)[O-])cc(OC)c1 ZINC000426824609 1126092959 /nfs/dbraw/zinc/09/29/59/1126092959.db2.gz NHHJJJGIKVMVHJ-KRWDZBQOSA-N 0 0 409.866 3.160 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC001116780803 1126146276 /nfs/dbraw/zinc/14/62/76/1126146276.db2.gz WUCAJEIWLIVPTD-QGZVFWFLSA-N 0 0 411.483 3.152 20 0 HGADRN CSc1cc(Br)ccc1C[NH2+][C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001321113203 1126171274 /nfs/dbraw/zinc/17/12/74/1126171274.db2.gz KYJPDUSJLZDZEJ-LBPRGKRZSA-N 0 0 404.717 3.264 20 0 HGADRN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC001560183522 1126209292 /nfs/dbraw/zinc/20/92/92/1126209292.db2.gz RBYQQEQMRAASLK-FQEVSTJZSA-N 0 0 401.850 3.202 20 0 HGADRN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000029045977 132494857 /nfs/dbraw/zinc/49/48/57/132494857.db2.gz XCGUEGNMUWVFAR-UHFFFAOYSA-N 0 0 405.829 3.265 20 0 HGADRN COc1ccc(-c2noc(CN3CCCN(C(=O)CCc4ccccc4)CC3)n2)cc1 ZINC000065172406 558652097 /nfs/dbraw/zinc/65/20/97/558652097.db2.gz NDQJQPXLRWCXHA-UHFFFAOYSA-N 0 0 420.513 3.412 20 0 HGADRN Cc1ccc([C@H](CNC(=O)CC2(O)CCCCC2)NC(=O)CC2(O)CCCCC2)o1 ZINC000095443597 568611321 /nfs/dbraw/zinc/61/13/21/568611321.db2.gz YAIAPGVHZPJQJN-SFHVURJKSA-N 0 0 420.550 3.032 20 0 HGADRN Nc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1 ZINC000328605395 569418024 /nfs/dbraw/zinc/41/80/24/569418024.db2.gz NFPXOCVFBPLEDN-IIBYNOLFSA-N 0 0 410.499 3.061 20 0 HGADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@H]3C(=O)c4ccccc4[C@H]3C2)nc1Cl ZINC001164400062 718846113 /nfs/dbraw/zinc/84/61/13/718846113.db2.gz ONOGQQXESQZVGT-ZIAGYGMSSA-N 0 0 407.804 3.268 20 0 HGADRN 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ZINC001164988145 722185537 /nfs/dbraw/zinc/18/55/37/722185537.db2.gz MCFIYRCMVSYZDQ-IAGOWNOFSA-N 0 0 407.971 3.327 20 0 HGADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1nc(C)cc(Cl)n1)CC2 ZINC001164993016 722187419 /nfs/dbraw/zinc/18/74/19/722187419.db2.gz XJUATIOMIJFEQQ-AWEZNQCLSA-N 0 0 416.900 3.085 20 0 HGADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)Oc1ccc(Cl)nc1)CC2 ZINC001164989132 722187517 /nfs/dbraw/zinc/18/75/17/722187517.db2.gz HWXTUILLNLRWPT-HNNXBMFYSA-N 0 0 417.884 3.261 20 0 HGADRN CC(=O)N1CC2(CCN([C@H](F)Oc3ccc(Cl)nn3)CC2)c2cc(C)ccc21 ZINC001164991123 722189864 /nfs/dbraw/zinc/18/98/64/722189864.db2.gz ZJSSTYPPYPFZOF-IBGZPJMESA-N 0 0 404.873 3.471 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)[C@H]2C1 ZINC001164998461 722214407 /nfs/dbraw/zinc/21/44/07/722214407.db2.gz VQSYFXPFQAPNSB-AFAVFJNCSA-N 0 0 424.879 3.337 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)[C@H]2C1 ZINC001164998240 722214476 /nfs/dbraw/zinc/21/44/76/722214476.db2.gz VFEFSVHKTDUGAP-ZLIFDBKOSA-N 0 0 424.879 3.337 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cc(Cl)nc4c3CCC4)[C@H]2C1 ZINC001164995230 722217330 /nfs/dbraw/zinc/21/73/30/722217330.db2.gz HKDNRNPQOCFRMW-AFAVFJNCSA-N 0 0 413.896 3.277 20 0 HGADRN COCCO[C@H]1CCN(C(F)(F)c2ccc(C)c(Cl)n2)[C@H]1Cc1cnn(C)c1 ZINC001164998685 722223611 /nfs/dbraw/zinc/22/36/11/722223611.db2.gz LRBJFCADAYUZLY-HOTGVXAUSA-N 0 0 414.884 3.175 20 0 HGADRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1cnc(Cl)cc1Cl)CCC2 ZINC001164998833 722227947 /nfs/dbraw/zinc/22/79/47/722227947.db2.gz FPSREQOSABQHBG-UHFFFAOYSA-N 0 0 404.248 3.176 20 0 HGADRN CN1CCN(c2ncnc3c2CCN(c2cc(Cl)nc4ccccc42)CC3)CC1 ZINC001164997712 722229051 /nfs/dbraw/zinc/22/90/51/722229051.db2.gz UCPSLYDXVLSUBJ-UHFFFAOYSA-N 0 0 408.937 3.035 20 0 HGADRN O=C(Nc1cccnc1)c1noc2c1CN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001165001393 722247972 /nfs/dbraw/zinc/24/79/72/722247972.db2.gz PQGOOXDOYOTCOY-SFHVURJKSA-N 0 0 403.801 3.061 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc3cc(F)ccc3n1)C2 ZINC001165007738 722263692 /nfs/dbraw/zinc/26/36/92/722263692.db2.gz SZDRJCFUUDUAIS-HSZRJFAPSA-N 0 0 408.452 3.441 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN([C@H](F)c1ccnc(Cl)c1)C2 ZINC001165005462 722264517 /nfs/dbraw/zinc/26/45/17/722264517.db2.gz COIAMTNQLXKNDN-VQTJNVASSA-N 0 0 406.864 3.265 20 0 HGADRN CSc1cnc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c(C)c1 ZINC001165006397 722267712 /nfs/dbraw/zinc/26/77/12/722267712.db2.gz IDSFIHRRLGJHQV-NRFANRHFSA-N 0 0 400.523 3.179 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(-c3cccs3)ncn1)C2 ZINC001165006861 722268775 /nfs/dbraw/zinc/26/87/75/722268775.db2.gz RRXQJIMTJIEIRO-JOCHJYFZSA-N 0 0 423.517 3.272 20 0 HGADRN Cc1cc2ncnc(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c2cc1C ZINC001165006818 722270178 /nfs/dbraw/zinc/27/01/78/722270178.db2.gz RDYQSYBTMAUXRN-XMMPIXPASA-N 0 0 419.504 3.313 20 0 HGADRN O=C([O-])[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000780575478 939136603 /nfs/dbraw/zinc/13/66/03/939136603.db2.gz OUSSEVGBLJCUTJ-ZWKOTPCHSA-N 0 0 421.419 3.405 20 0 HGADRN O=C(CCCOCc1ccccc1)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123268122 939817049 /nfs/dbraw/zinc/81/70/49/939817049.db2.gz NSPKJGITEDWTHA-XMMPIXPASA-N 0 0 410.514 3.219 20 0 HGADRN O=C(CCc1nc2ccccc2s1)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123268602 939817685 /nfs/dbraw/zinc/81/76/85/939817685.db2.gz STPWYKXUKPFTDO-HSZRJFAPSA-N 0 0 423.538 3.465 20 0 HGADRN Cc1[nH]c2ccccc2c1CC(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001263627291 939827639 /nfs/dbraw/zinc/82/76/39/939827639.db2.gz GPFHGJNOBLKHCS-DEOSSOPVSA-N 0 0 405.498 3.254 20 0 HGADRN CCCc1nc(C)c(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)s1 ZINC001263627942 939827654 /nfs/dbraw/zinc/82/76/54/939827654.db2.gz CCCPFKQHHLTKGK-OAQYLSRUSA-N 0 0 401.532 3.253 20 0 HGADRN O=C([O-])[C@]1(NC(=O)CCc2ccc3[nH]ccc3c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001263628117 939829002 /nfs/dbraw/zinc/82/90/02/939829002.db2.gz JDJFWMMUKRHJPC-DEOSSOPVSA-N 0 0 405.498 3.336 20 0 HGADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1csc(Br)c1 ZINC000426733344 1126084551 /nfs/dbraw/zinc/08/45/51/1126084551.db2.gz XOYZQTLQBBCLSV-ZDUSSCGKSA-N 0 0 412.305 3.457 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1csc(Br)c1 ZINC000426733343 1126084555 /nfs/dbraw/zinc/08/45/55/1126084555.db2.gz XOYZQTLQBBCLSV-CYBMUJFWSA-N 0 0 412.305 3.457 20 0 HGADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000426761952 1126088906 /nfs/dbraw/zinc/08/89/06/1126088906.db2.gz FTZCMDBTXICQFF-GOSISDBHSA-N 0 0 400.276 3.420 20 0 HGADRN COc1cc(C)nc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])c1 ZINC000426764981 1126089267 /nfs/dbraw/zinc/08/92/67/1126089267.db2.gz ZOTHQPVOHANORY-KRWDZBQOSA-N 0 0 418.291 3.428 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C(=O)[O-])cc(OC)c1 ZINC000426785687 1126090581 /nfs/dbraw/zinc/09/05/81/1126090581.db2.gz QXAHOHWUCVKFCD-QGZVFWFLSA-N 0 0 412.255 3.391 20 0 HGADRN COc1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc2c1OCCO2 ZINC000426743420 1126085837 /nfs/dbraw/zinc/08/58/37/1126085837.db2.gz AKTJDNRRTNADBO-HNNXBMFYSA-N 0 0 422.275 3.014 20 0 HGADRN COc1cc(OC)c(OC)cc1C[NH2+][C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426745254 1126086311 /nfs/dbraw/zinc/08/63/11/1126086311.db2.gz GEQGGMHTYANUAN-OAHLLOKOSA-N 0 0 424.291 3.260 20 0 HGADRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1O ZINC000426752081 1126087465 /nfs/dbraw/zinc/08/74/65/1126087465.db2.gz AXHFJYVQEXDYAH-HNNXBMFYSA-N 0 0 419.275 3.430 20 0 HGADRN COc1cc(OC)c(OC)cc1C[NH2+][C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000426818326 1126092543 /nfs/dbraw/zinc/09/25/43/1126092543.db2.gz VIQMMKARWAYCFQ-QGZVFWFLSA-N 0 0 402.422 3.118 20 0 HGADRN COc1cccc(C[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C(=O)[O-])c1 ZINC000426817975 1126092554 /nfs/dbraw/zinc/09/25/54/1126092554.db2.gz QOAJRTFQUHIZRQ-QGZVFWFLSA-N 0 0 421.284 3.368 20 0 HGADRN CC(=O)N(c1nc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cs1)C1CC1 ZINC000604766236 1126100078 /nfs/dbraw/zinc/10/00/78/1126100078.db2.gz SSUISIOATYJQOX-IAGOWNOFSA-N 0 0 413.465 3.283 20 0 HGADRN CCc1nn(C)cc1C[NH2+][C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000643898569 1126103476 /nfs/dbraw/zinc/10/34/76/1126103476.db2.gz LHLKSTHUMSCJBS-QGZVFWFLSA-N 0 0 405.296 3.012 20 0 HGADRN CC[C@H](C)Oc1cc(C[NH2+][C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])ccc1OC ZINC000683174900 1126106396 /nfs/dbraw/zinc/10/63/96/1126106396.db2.gz RNZYBSGMHQPUOR-WMLDXEAASA-N 0 0 401.459 3.387 20 0 HGADRN COc1ccc(C[NH2+][C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1OCc1cccnc1 ZINC001116779022 1126145792 /nfs/dbraw/zinc/14/57/92/1126145792.db2.gz CRYGZDQIWSJMJZ-HXUWFJFHSA-N 0 0 408.454 3.160 20 0 HGADRN CC(C)(C)OC(=O)NC(C)(C)c1noc(CN[C@](C)(CO)Cc2ccccc2F)n1 ZINC001176590022 1126150011 /nfs/dbraw/zinc/15/00/11/1126150011.db2.gz ZPLGDEPQUKQRCT-NRFANRHFSA-N 0 0 422.501 3.052 20 0 HGADRN COc1cc(C[NH2+][C@H](Cc2ccco2)C(=O)[O-])ccc1OCc1c(C)noc1C ZINC001326324099 1126173177 /nfs/dbraw/zinc/17/31/77/1126173177.db2.gz SXWOZYKUTNAWEY-GOSISDBHSA-N 0 0 400.431 3.258 20 0 HGADRN COC1(c2nc(C3CCOCC3)no2)CCN(Cc2csc(C3CC3)n2)CC1 ZINC000576842790 569071426 /nfs/dbraw/zinc/07/14/26/569071426.db2.gz FATPHZZMBPGLDK-UHFFFAOYSA-N 0 0 404.536 3.435 20 0 HGADRN CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(C[C@@H]3CCO)CC2)cnc1Cl ZINC001164392339 718812266 /nfs/dbraw/zinc/81/22/66/718812266.db2.gz KUCDJBOGBPJMLC-LBPRGKRZSA-N 0 0 408.898 3.062 20 0 HGADRN COC(=O)c1cc(C(F)(F)N2C[C@H]3C(=O)Nc4ccccc4[C@H]3C2)cnc1Cl ZINC001164406885 718856584 /nfs/dbraw/zinc/85/65/84/718856584.db2.gz OXKSFTAVNCVWRE-ZIAGYGMSSA-N 0 0 407.804 3.239 20 0 HGADRN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4CCCO[C@@H]4C3)c2c1C ZINC001164421487 718903002 /nfs/dbraw/zinc/90/30/02/718903002.db2.gz ROFJWMVHPSHSAZ-IAGOWNOFSA-N 0 0 402.564 3.146 20 0 HGADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164432036 718981654 /nfs/dbraw/zinc/98/16/54/718981654.db2.gz FAYOWTHSKDMQGR-SWLSCSKDSA-N 0 0 409.697 3.247 20 0 HGADRN 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DQDCUQXCERYGAR-ZDUSSCGKSA-N 0 0 412.872 3.197 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc(-c3ccccc3)nn1)C2 ZINC001165004191 722261570 /nfs/dbraw/zinc/26/15/70/722261570.db2.gz NXKVBNHDZRZPJI-DEOSSOPVSA-N 0 0 417.488 3.210 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccnc(-c3ccccc3)n1)C2 ZINC001165002923 722261575 /nfs/dbraw/zinc/26/15/75/722261575.db2.gz ACHLSRAZKDRCRH-XMMPIXPASA-N 0 0 417.488 3.210 20 0 HGADRN COc1ccc2ccnc(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c2c1 ZINC001165005859 722266827 /nfs/dbraw/zinc/26/68/27/722266827.db2.gz FAYZAMSKDKJTAD-DEOSSOPVSA-N 0 0 420.488 3.310 20 0 HGADRN CC(C)Sc1ccc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nn1 ZINC001165007052 722269451 /nfs/dbraw/zinc/26/94/51/722269451.db2.gz UFKGGLGNGSTOEQ-OAQYLSRUSA-N 0 0 415.538 3.044 20 0 HGADRN Cc1cc2ncnc(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c2cc1C ZINC001165006817 722270013 /nfs/dbraw/zinc/27/00/13/722270013.db2.gz RDYQSYBTMAUXRN-DEOSSOPVSA-N 0 0 419.504 3.313 20 0 HGADRN COc1ccc([C@@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]2CCCCC2)cc1 ZINC000780343615 939107251 /nfs/dbraw/zinc/10/72/51/939107251.db2.gz LEYVLEGNKPZUSX-LJQANCHMSA-N 0 0 403.523 3.309 20 0 HGADRN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(Br)c1O ZINC000426645857 1126081074 /nfs/dbraw/zinc/08/10/74/1126081074.db2.gz GEKTYCCAVPSUMU-OAHLLOKOSA-N 0 0 419.275 3.430 20 0 HGADRN CCOc1c(Br)cc(C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1OC ZINC000426648134 1126081114 /nfs/dbraw/zinc/08/11/14/1126081114.db2.gz RQJYYNNSTRKMPW-INIZCTEOSA-N 0 0 424.291 3.348 20 0 HGADRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cn1 ZINC000426716417 1126081757 /nfs/dbraw/zinc/08/17/57/1126081757.db2.gz LYEXFNAHLMKYPV-HNNXBMFYSA-N 0 0 404.264 3.120 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(Br)cc1 ZINC000426721894 1126082408 /nfs/dbraw/zinc/08/24/08/1126082408.db2.gz DUYSWGIIQUVIHQ-MRXNPFEDSA-N 0 0 406.276 3.396 20 0 HGADRN COc1cc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])ccc1OC(C)C 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OMAZANCAFYQRJH-KRWDZBQOSA-N 0 0 402.472 3.108 20 0 HGADRN CC(=O)N(c1nc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cs1)C1CC1 ZINC000604766235 1126100011 /nfs/dbraw/zinc/10/00/11/1126100011.db2.gz SSUISIOATYJQOX-DLBZAZTESA-N 0 0 413.465 3.283 20 0 HGADRN CCc1nn(C)cc1C[NH2+][C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000643898568 1126103489 /nfs/dbraw/zinc/10/34/89/1126103489.db2.gz LHLKSTHUMSCJBS-KRWDZBQOSA-N 0 0 405.296 3.012 20 0 HGADRN CN(C)c1nc(CN[C@H](CO)Cc2ccc(F)cc2)c(Cl)n1-c1ccccc1 ZINC000802647885 1126110669 /nfs/dbraw/zinc/11/06/69/1126110669.db2.gz RMDQXIBVRBQBRA-KRWDZBQOSA-N 0 0 402.901 3.424 20 0 HGADRN COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001197303662 1126154329 /nfs/dbraw/zinc/15/43/29/1126154329.db2.gz DVWNUDBOFVEQFF-NRFANRHFSA-N 0 0 403.862 3.244 20 0 HGADRN COc1ccc(OCc2nc(C[NH2+][C@@H](Cc3ccc(O)cc3)C(=O)[O-])cs2)cc1 ZINC001321112940 1126171265 /nfs/dbraw/zinc/17/12/65/1126171265.db2.gz IHAGFUUZGIDYAW-IBGZPJMESA-N 0 0 414.483 3.222 20 0 HGADRN COc1ccccc1-c1nnc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)o1 ZINC001560100979 1126207999 /nfs/dbraw/zinc/20/79/99/1126207999.db2.gz YWTCHOXEFDYKQQ-QAPCUYQASA-N 0 0 407.392 3.369 20 0 HGADRN CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)s1 ZINC000011099712 558262296 /nfs/dbraw/zinc/26/22/96/558262296.db2.gz RKHNRTBLLFGGNS-AWEZNQCLSA-N 0 0 415.519 3.392 20 0 HGADRN COC1(c2nc(CC(F)(F)F)no2)CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000436747924 559260928 /nfs/dbraw/zinc/26/09/28/559260928.db2.gz CQNYBYYBEQXVCC-UHFFFAOYSA-N 0 0 419.787 3.311 20 0 HGADRN O=C([C@@H]1CCc2c[nH]nc2C1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000328605084 569417872 /nfs/dbraw/zinc/41/78/72/569417872.db2.gz MHQJZNDEJDNBHB-JTUHZDRVSA-N 0 0 403.486 3.145 20 0 HGADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC2(C[C@H]2CCO)CC1 ZINC001164391256 718810489 /nfs/dbraw/zinc/81/04/89/718810489.db2.gz GPZKUFWYKMIWSJ-CYBMUJFWSA-N 0 0 415.868 3.231 20 0 HGADRN Cc1sc2nc(CN3CCOCC3)nc(N3CCC4(C[C@@H]4CCO)CC3)c2c1C ZINC001164392309 718811515 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ACZIPWKYSLTGDR-LEWSCRJBSA-N 0 0 422.823 3.271 20 0 HGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc(F)c(Cl)n2)C[C@@H]2CCCO[C@@H]12 ZINC001164655365 719302712 /nfs/dbraw/zinc/30/27/12/719302712.db2.gz SXYUSWYTGUNFBJ-NORZTCDRSA-N 0 0 403.832 3.025 20 0 HGADRN CCOC(=O)c1cnc(Cl)cc1N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001164649582 719306923 /nfs/dbraw/zinc/30/69/23/719306923.db2.gz UVCRYCVSEQNKPZ-UHFFFAOYSA-N 0 0 405.930 3.313 20 0 HGADRN CC(C)n1nc(CN(C)C)c2c1CN(c1ncccc1C(=O)N1CCC(C)CC1)CC2 ZINC001164653577 719315012 /nfs/dbraw/zinc/31/50/12/719315012.db2.gz WLSWJZLQNKODIF-UHFFFAOYSA-N 0 0 424.593 3.355 20 0 HGADRN Cc1oncc1C(=O)N[C@@H]1CN(C(C)(C)c2ccnc(Cl)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164654547 719321163 /nfs/dbraw/zinc/32/11/63/719321163.db2.gz RLSMWHVOWVMAIK-POZUXBRTSA-N 0 0 418.925 3.176 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)Oc2ccc(Cl)nc2)C[C@H]2CCCO[C@H]21 ZINC001164655628 719324438 /nfs/dbraw/zinc/32/44/38/719324438.db2.gz RLOUWTRZNAREFR-DDUZABMNSA-N 0 0 415.868 3.060 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)Oc2ccnc(Cl)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164654743 719326460 /nfs/dbraw/zinc/32/64/60/719326460.db2.gz MSWVTJOADGDLNZ-JCKWVBRZSA-N 0 0 415.868 3.060 20 0 HGADRN Fc1ccc(C(F)(F)N2CCCn3nnc(COc4cccnc4)c3C2)nc1Cl ZINC001164655229 719327483 /nfs/dbraw/zinc/32/74/83/719327483.db2.gz PCJUXYGAFYGYCT-UHFFFAOYSA-N 0 0 424.814 3.395 20 0 HGADRN [O-][n+]1ccc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1Cl ZINC001164659963 719344338 /nfs/dbraw/zinc/34/43/38/719344338.db2.gz GSZUOEUJHXOCBI-JZXOWHBKSA-N 0 0 402.869 3.461 20 0 HGADRN [O-][n+]1ccc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCC2CCCC2)cc1Cl ZINC001164659968 719344577 /nfs/dbraw/zinc/34/45/77/719344577.db2.gz GSZUOEUJHXOCBI-RYRKJORJSA-N 0 0 402.869 3.461 20 0 HGADRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1ccc(SC)c(Cl)n1)C2 ZINC001164663304 719361189 /nfs/dbraw/zinc/36/11/89/719361189.db2.gz JHANOXGLHRXEGN-JTQLQIEISA-N 0 0 403.886 3.363 20 0 HGADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1cc(SC)cnc1Cl)C2 ZINC001164664012 719361632 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LPZAYKPQEKKFFW-ZDUSSCGKSA-N 0 0 412.305 3.457 20 0 HGADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cc(F)ccc1Br ZINC000426723269 1126082711 /nfs/dbraw/zinc/08/27/11/1126082711.db2.gz YIMRHDZIKYMGBV-NSHDSACASA-N 0 0 410.165 3.047 20 0 HGADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000426761757 1126088774 /nfs/dbraw/zinc/08/87/74/1126088774.db2.gz CXIYVZLUYQXECT-GFCCVEGCSA-N 0 0 411.302 3.086 20 0 HGADRN CCOc1cc(C[NH2+][C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])cc(Cl)c1OC ZINC000426765507 1126089250 /nfs/dbraw/zinc/08/92/50/1126089250.db2.gz PCHMWKMKWBKCSK-OAHLLOKOSA-N 0 0 407.850 3.262 20 0 HGADRN COc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc2c1OCCO2 ZINC000426743422 1126085908 /nfs/dbraw/zinc/08/59/08/1126085908.db2.gz AKTJDNRRTNADBO-OAHLLOKOSA-N 0 0 422.275 3.014 20 0 HGADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000426747206 1126086461 /nfs/dbraw/zinc/08/64/61/1126086461.db2.gz NQCRESXCNCIQQA-LJQANCHMSA-N 0 0 414.303 3.479 20 0 HGADRN COCCOc1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1 ZINC000426748248 1126086828 /nfs/dbraw/zinc/08/68/28/1126086828.db2.gz VWBHAZCHZMMIQY-GOSISDBHSA-N 0 0 408.292 3.260 20 0 HGADRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cn1 ZINC000426805369 1126091483 /nfs/dbraw/zinc/09/14/83/1126091483.db2.gz AUDTZCNEIGWTMU-INIZCTEOSA-N 0 0 404.264 3.120 20 0 HGADRN CCN(C(C)=O)c1nc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cs1 ZINC000604765699 1126099503 /nfs/dbraw/zinc/09/95/03/1126099503.db2.gz JZDLOLTVLCQBQL-HOTGVXAUSA-N 0 0 401.454 3.140 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000671161540 1126104599 /nfs/dbraw/zinc/10/45/99/1126104599.db2.gz AILXUVOCFLNFOL-GOSISDBHSA-N 0 0 413.861 3.099 20 0 HGADRN COc1ccc(C[NH2+][C@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1OCc1ccccc1 ZINC001116780653 1126146265 /nfs/dbraw/zinc/14/62/65/1126146265.db2.gz VHJGSGRJDREUED-GOSISDBHSA-N 0 0 415.877 3.367 20 0 HGADRN Cc1cncc(-c2nc(CN[C@@](C)(CO)Cc3ccc(Br)cc3)no2)c1 ZINC001308117764 1126163556 /nfs/dbraw/zinc/16/35/56/1126163556.db2.gz LYINYBGGKQUSDM-LJQANCHMSA-N 0 0 417.307 3.286 20 0 HGADRN CC(C)(C)OC(=O)NC(C)(C)c1noc(CN[C@@](C)(CO)Cc2ccc(F)cc2)n1 ZINC001308117869 1126163562 /nfs/dbraw/zinc/16/35/62/1126163562.db2.gz NVRBRDPAQCJQNI-OAQYLSRUSA-N 0 0 422.501 3.052 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC001326324388 1126173390 /nfs/dbraw/zinc/17/33/90/1126173390.db2.gz WSZPUFQNDXBONV-LJQANCHMSA-N 0 0 421.453 3.216 20 0 HGADRN COc1ccccc1-c1nnc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)o1 ZINC001560100977 1126207867 /nfs/dbraw/zinc/20/78/67/1126207867.db2.gz YWTCHOXEFDYKQQ-CRAIPNDOSA-N 0 0 407.392 3.369 20 0 HGADRN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000004035347 568752045 /nfs/dbraw/zinc/75/20/45/568752045.db2.gz KZLQEKUVPVPMNK-ZDUSSCGKSA-N 0 0 415.334 3.302 20 0 HGADRN Cc1ccc(C)c(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(Cc3ccccc3)c2)c1 ZINC000508659309 568952307 /nfs/dbraw/zinc/95/23/07/568952307.db2.gz GEARCUCDDUDCKD-GBXCKJPGSA-N 0 0 416.525 3.498 20 0 HGADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C(=O)Nc4ccccc4[C@@H]3C2)c1 ZINC001164404767 718858127 /nfs/dbraw/zinc/85/81/27/718858127.db2.gz PMEGULLWPMHZBE-STQMWFEESA-N 0 0 407.804 3.239 20 0 HGADRN FC1(F)CO[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C[C@@H]21 ZINC001164422740 718921315 /nfs/dbraw/zinc/92/13/15/718921315.db2.gz AOODZUPFTRBQRH-DOTOQJQBSA-N 0 0 406.864 3.159 20 0 HGADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164435017 718975372 /nfs/dbraw/zinc/97/53/72/718975372.db2.gz XOFYJGOKWQUEMP-CRAIPNDOSA-N 0 0 411.836 3.377 20 0 HGADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164434492 718976778 /nfs/dbraw/zinc/97/67/78/718976778.db2.gz RHEBPUXYGLFWBK-RDTXWAMCSA-N 0 0 411.836 3.377 20 0 HGADRN c1sc([C@H]2C[C@H]3CN(c4ccc(CN5CCOCC5)cn4)C[C@H]3O2)nc1C1CC1 ZINC001164646144 719287679 /nfs/dbraw/zinc/28/76/79/719287679.db2.gz NGMAWRPOOCCOPI-DFQSSKMNSA-N 0 0 412.559 3.214 20 0 HGADRN CN1CCc2nc(Cl)nc(N3C[C@@H]4O[C@@H](c5nc(C6CC6)cs5)C[C@H]4C3)c2C1 ZINC001164647015 719290920 /nfs/dbraw/zinc/29/09/20/719290920.db2.gz QJSMOCPDNLJXMJ-VUCTXSBTSA-N 0 0 417.966 3.418 20 0 HGADRN COc1ccc(C(F)(F)N2CC[C@@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)nc1Cl ZINC001164652503 719299722 /nfs/dbraw/zinc/29/97/22/719299722.db2.gz NFWHLXRBDOCIKX-KGYLQXTDSA-N 0 0 400.813 3.336 20 0 HGADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@@H]3O2)n1 ZINC001164649880 719300189 /nfs/dbraw/zinc/30/01/89/719300189.db2.gz HZJGGYKKGGYTOV-GUBZILKMSA-N 0 0 403.842 3.012 20 0 HGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)C[C@@H]2CCCO[C@@H]12 ZINC001164646849 719303473 /nfs/dbraw/zinc/30/34/73/719303473.db2.gz CBGRSRIKUNXLIO-NORZTCDRSA-N 0 0 403.832 3.025 20 0 HGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)C[C@H]2CCCO[C@H]21 ZINC001164656153 719304519 /nfs/dbraw/zinc/30/45/19/719304519.db2.gz WMPLUSHIOPMOFR-HBUWYVDXSA-N 0 0 424.879 3.367 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2F)C[C@H]2CCCO[C@H]21 ZINC001164654913 719323673 /nfs/dbraw/zinc/32/36/73/719323673.db2.gz NQFDKLWTXMXNRY-SUYBPPKGSA-N 0 0 417.859 3.319 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)C[C@H]2CCCO[C@H]21 ZINC001164652100 719324789 /nfs/dbraw/zinc/32/47/89/719324789.db2.gz BIFHMUZXDMWDFJ-SUYBPPKGSA-N 0 0 417.859 3.319 20 0 HGADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164663646 719361318 /nfs/dbraw/zinc/36/13/18/719361318.db2.gz KQUGWMLFIFQEKD-GFCCVEGCSA-N 0 0 408.840 3.190 20 0 HGADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001164665489 719361382 /nfs/dbraw/zinc/36/13/82/719361382.db2.gz XPGPDFBSBXOWHV-LLVKDONJSA-N 0 0 424.839 3.070 20 0 HGADRN CN(C[C@@H](O)CO)C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164665235 719366854 /nfs/dbraw/zinc/36/68/54/719366854.db2.gz AKSGKNNLYGHFQD-LLVKDONJSA-N 0 0 411.758 3.150 20 0 HGADRN Fc1ccc(CN2CCOCC23CCN(c2nccc(N4CCCC4)n2)CC3)cc1 ZINC001164665691 719491215 /nfs/dbraw/zinc/49/12/15/719491215.db2.gz AZZRKRPAEIBKDU-UHFFFAOYSA-N 0 0 411.525 3.087 20 0 HGADRN COC(=O)c1cc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ncc1C ZINC001164672629 719513758 /nfs/dbraw/zinc/51/37/58/719513758.db2.gz LQVFTHPYHDMAJV-UHFFFAOYSA-N 0 0 413.493 3.187 20 0 HGADRN Fc1ccc(CN2CCOCC23CCN(c2ncnc4c2ncn4C2CC2)CC3)cc1 ZINC001164673350 719524080 /nfs/dbraw/zinc/52/40/80/719524080.db2.gz PLTOOZIPXLOUJK-UHFFFAOYSA-N 0 0 422.508 3.172 20 0 HGADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2cc(Cl)ncc2F)C1)N1CCCC1 ZINC001164678362 719538578 /nfs/dbraw/zinc/53/85/78/719538578.db2.gz KIVBXGCAIHULAH-UGFHNGPFSA-N 0 0 403.832 3.025 20 0 HGADRN O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2nc(Cl)ccc2F)C1)N1CCCC1 ZINC001164679214 719538957 /nfs/dbraw/zinc/53/89/57/719538957.db2.gz VSSDPJMXZUNROQ-MRVWCRGKSA-N 0 0 403.832 3.025 20 0 HGADRN Cc1cc(C(F)(F)N2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)cc(Cl)n1 ZINC001164677917 719556293 /nfs/dbraw/zinc/55/62/93/719556293.db2.gz RZMULCXFDDSTTF-MRXNPFEDSA-N 0 0 411.880 3.220 20 0 HGADRN Cc1cc(Cl)ncc1C(F)(F)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001164687752 719685282 /nfs/dbraw/zinc/68/52/82/719685282.db2.gz VCHGXUSUJIRZJD-UHFFFAOYSA-N 0 0 420.851 3.217 20 0 HGADRN O=C1C[C@H]2[C@H](CCN2c2nc(Cl)ccc2CN2CCCC2)N1Cc1cccnc1 ZINC001164691611 719768540 /nfs/dbraw/zinc/76/85/40/719768540.db2.gz PAZSLDBIWSTZSG-OALUTQOASA-N 0 0 411.937 3.106 20 0 HGADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164693682 719784892 /nfs/dbraw/zinc/78/48/92/719784892.db2.gz CVIIYRYIVZMIFQ-UHFFFAOYSA-N 0 0 420.247 3.359 20 0 HGADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164693877 719800034 /nfs/dbraw/zinc/80/00/34/719800034.db2.gz VORYWXXDTGCTLY-DLBZAZTESA-N 0 0 417.847 3.317 20 0 HGADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164693884 719800077 /nfs/dbraw/zinc/80/00/77/719800077.db2.gz VORYWXXDTGCTLY-IRXDYDNUSA-N 0 0 417.847 3.317 20 0 HGADRN Cc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)n1 ZINC001164693410 719835989 /nfs/dbraw/zinc/83/59/89/719835989.db2.gz ATYUPAQFSOZCKV-UHFFFAOYSA-N 0 0 422.863 3.386 20 0 HGADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)cc2ccc(F)cc21 ZINC001164699336 719847167 /nfs/dbraw/zinc/84/71/67/719847167.db2.gz HMPGNGNQYSQDMH-IERDGZPVSA-N 0 0 421.900 3.260 20 0 HGADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(Cl)nc2sccc21 ZINC001164706735 719849280 /nfs/dbraw/zinc/84/92/80/719849280.db2.gz YJNXXPRBVAYPFQ-DJJJIMSYSA-N 0 0 409.939 3.182 20 0 HGADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(C(C)(C)C)nc(C(C)C)n1 ZINC001164708073 719872828 /nfs/dbraw/zinc/87/28/28/719872828.db2.gz XMTAMRHMDIQILM-UZUQRXQVSA-N 0 0 418.582 3.130 20 0 HGADRN CCO[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164709684 720058717 /nfs/dbraw/zinc/05/87/17/720058717.db2.gz ASCYNBRBCABKNW-ZENOOKHLSA-N 0 0 402.873 3.048 20 0 HGADRN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2ccnc(Cl)c2Cl)cn1 ZINC001164715346 720068915 /nfs/dbraw/zinc/06/89/15/720068915.db2.gz TUOVAUPDWFDJBA-NEPJUHHUSA-N 0 0 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ZINC001262174780 939826977 /nfs/dbraw/zinc/82/69/77/939826977.db2.gz ISIXKOUCYWVKFJ-NRFANRHFSA-N 0 0 407.514 3.053 20 0 HGADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(Br)cc1F ZINC000426719357 1126081971 /nfs/dbraw/zinc/08/19/71/1126081971.db2.gz FZELHHBNCDDYQB-NSHDSACASA-N 0 0 410.165 3.047 20 0 HGADRN Cc1cc(C)n(C[C@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)[O-])n1 ZINC000426726660 1126083303 /nfs/dbraw/zinc/08/33/03/1126083303.db2.gz LBRUYFHQDAWVMC-SFHVURJKSA-N 0 0 421.423 3.007 20 0 HGADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000426725959 1126083354 /nfs/dbraw/zinc/08/33/54/1126083354.db2.gz GFPLIAXBJQVOCA-LBPRGKRZSA-N 0 0 411.302 3.086 20 0 HGADRN CCOc1cc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])ccc1OC ZINC000426731345 1126084059 /nfs/dbraw/zinc/08/40/59/1126084059.db2.gz OQQXRDCSBHCVPP-QGZVFWFLSA-N 0 0 401.459 3.041 20 0 HGADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000426757975 1126088087 /nfs/dbraw/zinc/08/80/87/1126088087.db2.gz QVTPCLDRWKGYKX-MRXNPFEDSA-N 0 0 406.276 3.396 20 0 HGADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000426757974 1126088216 /nfs/dbraw/zinc/08/82/16/1126088216.db2.gz QVTPCLDRWKGYKX-INIZCTEOSA-N 0 0 406.276 3.396 20 0 HGADRN Cc1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1-n1cncn1 ZINC000426764568 1126089127 /nfs/dbraw/zinc/08/91/27/1126089127.db2.gz XJVGRYDYQLAMIC-KRWDZBQOSA-N 0 0 415.291 3.124 20 0 HGADRN Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000426786574 1126090478 /nfs/dbraw/zinc/09/04/78/1126090478.db2.gz WOIGYHPEJRYXDT-GOSISDBHSA-N 0 0 413.861 3.348 20 0 HGADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000426789394 1126090698 /nfs/dbraw/zinc/09/06/98/1126090698.db2.gz UIAGGHYRWFAGTP-HNNXBMFYSA-N 0 0 405.834 3.016 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000426795042 1126090897 /nfs/dbraw/zinc/09/08/97/1126090897.db2.gz VHGNUUPHWBNDBV-LJQANCHMSA-N 0 0 401.413 3.318 20 0 HGADRN COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](Cn3nc(C)cc3C)C(=O)[O-])c2)cc1 ZINC000426742515 1126085807 /nfs/dbraw/zinc/08/58/07/1126085807.db2.gz PRIARCFVQZJQTJ-OAQYLSRUSA-N 0 0 422.485 3.004 20 0 HGADRN COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000426744493 1126086013 /nfs/dbraw/zinc/08/60/13/1126086013.db2.gz CRNMRXXZNJREAC-KRWDZBQOSA-N 0 0 421.284 3.368 20 0 HGADRN COCCOc1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1 ZINC000426748249 1126086795 /nfs/dbraw/zinc/08/67/95/1126086795.db2.gz VWBHAZCHZMMIQY-SFHVURJKSA-N 0 0 408.292 3.260 20 0 HGADRN Cc1cc(C[NH2+][C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])ccc1Br ZINC000426750286 1126087008 /nfs/dbraw/zinc/08/70/08/1126087008.db2.gz MKBILTUFQOLGJA-SFHVURJKSA-N 0 0 415.291 3.124 20 0 HGADRN COc1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc(OC)c1OC ZINC000426751134 1126087195 /nfs/dbraw/zinc/08/71/95/1126087195.db2.gz SXCIRVMZZQCVDZ-HNNXBMFYSA-N 0 0 424.291 3.260 20 0 HGADRN COc1ccc2cc(C[NH2+][C@H](Cc3cn(-c4ccccc4)nn3)C(=O)[O-])ccc2c1 ZINC000426754350 1126087601 /nfs/dbraw/zinc/08/76/01/1126087601.db2.gz PPIUGMBVZDOCKC-JOCHJYFZSA-N 0 0 402.454 3.215 20 0 HGADRN O[C@H](C(F)F)[C@@H](Cc1ccccc1)NCc1ncc(I)s1 ZINC000511996450 1126095461 /nfs/dbraw/zinc/09/54/61/1126095461.db2.gz HQRMVBDZNVFWPM-MFKMUULPSA-N 0 0 424.254 3.075 20 0 HGADRN O[C@H](C(F)F)[C@H](Cc1ccccc1)NCc1ncc(I)s1 ZINC000511996448 1126095558 /nfs/dbraw/zinc/09/55/58/1126095558.db2.gz HQRMVBDZNVFWPM-GWCFXTLKSA-N 0 0 424.254 3.075 20 0 HGADRN O=C([O-])[C@H](Cn1cc(Cl)cn1)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC001255793259 1126160323 /nfs/dbraw/zinc/16/03/23/1126160323.db2.gz IYWRXLZUDRCJEX-IBGZPJMESA-N 0 0 403.841 3.498 20 0 HGADRN COc1ccccc1C[C@](C)(CO)NCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC001308034943 1126162264 /nfs/dbraw/zinc/16/22/64/1126162264.db2.gz GFHMNGZKCNPIIL-JOCHJYFZSA-N 0 0 412.559 3.244 20 0 HGADRN COc1ccc(OCc2nc(C[NH2+][C@H](Cc3ccc(O)cc3)C(=O)[O-])cs2)cc1 ZINC001326323145 1126173069 /nfs/dbraw/zinc/17/30/69/1126173069.db2.gz IHAGFUUZGIDYAW-LJQANCHMSA-N 0 0 414.483 3.222 20 0 HGADRN C(c1nc2sc3c(c2c(N2CC[C@]4(CCOC4)C2)n1)CCCC3)N1CCOCC1 ZINC000301609503 718807698 /nfs/dbraw/zinc/80/76/98/718807698.db2.gz PSRAGNQXMDOJCT-QFIPXVFZSA-N 0 0 414.575 3.019 20 0 HGADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C(=O)c3ccccc3[C@H]2C1 ZINC001164400002 718846022 /nfs/dbraw/zinc/84/60/22/718846022.db2.gz MVWOKCYAHLTQCC-ZIAGYGMSSA-N 0 0 407.804 3.268 20 0 HGADRN O=C1Nc2ccccc2[C@@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@@H]12 ZINC001164401284 718855807 /nfs/dbraw/zinc/85/58/07/718855807.db2.gz AIYYCHAAAAIQQY-VQTJNVASSA-N 0 0 411.509 3.207 20 0 HGADRN O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@H]12 ZINC001164406791 718856286 /nfs/dbraw/zinc/85/62/86/718856286.db2.gz OCLYAKFGMFJLMD-KGLIPLIRSA-N 0 0 419.863 3.447 20 0 HGADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c(Cl)n1 ZINC001164405608 718856555 /nfs/dbraw/zinc/85/65/55/718856555.db2.gz LXAXPGJZAWQHQM-NEPJUHHUSA-N 0 0 407.804 3.239 20 0 HGADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3c4ccccc4NC(=O)[C@@H]3C2)c1 ZINC001164404363 718857976 /nfs/dbraw/zinc/85/79/76/718857976.db2.gz PMEGULLWPMHZBE-QWHCGFSZSA-N 0 0 407.804 3.239 20 0 HGADRN O=C1Nc2ccccc2[C@@H]2CN([C@@](F)(COc3cncc(Cl)n3)C(F)F)C[C@H]12 ZINC001164405466 718858791 /nfs/dbraw/zinc/85/87/91/718858791.db2.gz SGWUVOCXVSAQNJ-PZROIBLQSA-N 0 0 412.799 3.107 20 0 HGADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cc(Cl)nc(OC)c1)C2 ZINC001164405540 718866330 /nfs/dbraw/zinc/86/63/30/718866330.db2.gz DTUXTRUPYTWZAX-UHFFFAOYSA-N 0 0 400.813 3.072 20 0 HGADRN FC1(F)CO[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C[C@H]21 ZINC001164422745 718921505 /nfs/dbraw/zinc/92/15/05/718921505.db2.gz AOODZUPFTRBQRH-WBVHZDCISA-N 0 0 406.864 3.159 20 0 HGADRN CCOC(=O)[C@@]12C[C@@H]1CCN2c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2 ZINC001164616824 719039262 /nfs/dbraw/zinc/03/92/62/719039262.db2.gz ZJVFUBBALWVQGJ-KSFYIVLOSA-N 0 0 412.921 3.220 20 0 HGADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)nc(Cl)n4)C[C@@H]3O2)n1 ZINC001164655690 719297826 /nfs/dbraw/zinc/29/78/26/719297826.db2.gz UQMGJXOWJVTRCC-UTLUCORTSA-N 0 0 406.220 3.376 20 0 HGADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)COc4ccnc(Cl)c4)C[C@@H]3O2)n1 ZINC001164656404 719299013 /nfs/dbraw/zinc/29/90/13/719299013.db2.gz WXSZMMGWVAZZQW-XBFCOCLRSA-N 0 0 400.813 3.250 20 0 HGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)C[C@H]2CCCO[C@H]21 ZINC001164654228 719303543 /nfs/dbraw/zinc/30/35/43/719303543.db2.gz QTGZNBURTTYSLS-DJSGYFEHSA-N 0 0 403.832 3.025 20 0 HGADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164647943 719309386 /nfs/dbraw/zinc/30/93/86/719309386.db2.gz PEEUKKCGMZRYRD-UHFFFAOYSA-N 0 0 404.946 3.297 20 0 HGADRN CCOC(=O)c1cc2cccnc2nc1N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001164647431 719310794 /nfs/dbraw/zinc/31/07/94/719310794.db2.gz AXRVBRJSYQAKER-UHFFFAOYSA-N 0 0 422.533 3.208 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)Oc2cccnc2Cl)C[C@@H]2CCCO[C@@H]12 ZINC001164654311 719324545 /nfs/dbraw/zinc/32/45/45/719324545.db2.gz JWYSEXMVHGEKLN-JJRVBVJISA-N 0 0 415.868 3.060 20 0 HGADRN Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)CC3CC3)C2)c1 ZINC001164655582 719325401 /nfs/dbraw/zinc/32/54/01/719325401.db2.gz QUGIPLYNOFTSOZ-YZVOILCLSA-N 0 0 413.896 3.488 20 0 HGADRN CN1CCc2nc(Cl)nc(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@@H]43)c2C1 ZINC001164659425 719344610 /nfs/dbraw/zinc/34/46/10/719344610.db2.gz CTLZOCZRSKXVDF-OTWHNJEPSA-N 0 0 406.958 3.061 20 0 HGADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(OC)n1)CC2 ZINC001164663559 719346138 /nfs/dbraw/zinc/34/61/38/719346138.db2.gz KQHVLANHHLCNEA-UHFFFAOYSA-N 0 0 404.518 3.180 20 0 HGADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(OC)n1)CC2 ZINC001164664142 719350359 /nfs/dbraw/zinc/35/03/59/719350359.db2.gz SGMMGOFLEZEUPC-UHFFFAOYSA-N 0 0 418.545 3.488 20 0 HGADRN CCOC[C@H]1CN(C(F)(F)Oc2cnc(Cl)cn2)Cc2nn(CC3CC3)cc21 ZINC001164662750 719364505 /nfs/dbraw/zinc/36/45/05/719364505.db2.gz GANPGGHGLXMWCC-CYBMUJFWSA-N 0 0 413.856 3.302 20 0 HGADRN O=C([C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2ccc(F)c(Cl)n2)C1)N1CCCC1 ZINC001164678109 719535743 /nfs/dbraw/zinc/53/57/43/719535743.db2.gz JESWTYLPVLONCT-BNOWGMLFSA-N 0 0 403.832 3.025 20 0 HGADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2cnc(Cl)c(F)c2)C1)N1CCCC1 ZINC001164679366 719537049 /nfs/dbraw/zinc/53/70/49/719537049.db2.gz YQOBSRDHCCCLMS-UGFHNGPFSA-N 0 0 403.832 3.025 20 0 HGADRN O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2cnc(Cl)c(F)c2)C1)N1CCCC1 ZINC001164679363 719537630 /nfs/dbraw/zinc/53/76/30/719537630.db2.gz YQOBSRDHCCCLMS-BYCMXARLSA-N 0 0 403.832 3.025 20 0 HGADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2c[nH]c3nc(Cl)ccc23)C1)N1CCCC1 ZINC001164678722 719538299 /nfs/dbraw/zinc/53/82/99/719538299.db2.gz MSEAJYHTERORBU-KCXAZCMYSA-N 0 0 424.879 3.367 20 0 HGADRN O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2cc(Cl)ncc2F)C1)N1CCCC1 ZINC001164678357 719538329 /nfs/dbraw/zinc/53/83/29/719538329.db2.gz KIVBXGCAIHULAH-BYCMXARLSA-N 0 0 403.832 3.025 20 0 HGADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164678289 719565744 /nfs/dbraw/zinc/56/57/44/719565744.db2.gz WPZOEOKZZUXUJR-UHFFFAOYSA-N 0 0 415.231 3.210 20 0 HGADRN Cc1cc(Cl)nc(C(F)(F)N2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)n1 ZINC001164688162 719595613 /nfs/dbraw/zinc/59/56/13/719595613.db2.gz UUVRZNWMXCOWNU-CYBMUJFWSA-N 0 0 420.851 3.295 20 0 HGADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164696059 719785506 /nfs/dbraw/zinc/78/55/06/719785506.db2.gz SALLPNNVUJGVKQ-UHFFFAOYSA-N 0 0 402.804 3.450 20 0 HGADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)Oc1ccnc(Cl)c1)CC2 ZINC001164695127 719788391 /nfs/dbraw/zinc/78/83/91/719788391.db2.gz IVMULTQNAFEREJ-UHFFFAOYSA-N 0 0 400.813 3.191 20 0 HGADRN Cn1nnc2c1[C@H](COCc1cccnc1)CN(C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164696810 719836100 /nfs/dbraw/zinc/83/61/00/719836100.db2.gz VBPBYQZJUZVPDB-INIZCTEOSA-N 0 0 412.925 3.310 20 0 HGADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1c(Cl)ncc(Cl)c1Cl ZINC001164702508 719856568 /nfs/dbraw/zinc/85/65/68/719856568.db2.gz NMPBFFQPMKPCPD-DIFFPNOSSA-N 0 0 422.740 3.275 20 0 HGADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(Cl)nc2cc(C)ccc21 ZINC001164701029 719858798 /nfs/dbraw/zinc/85/87/98/719858798.db2.gz JBIXAVMBBPVMLW-KSFYIVLOSA-N 0 0 417.937 3.429 20 0 HGADRN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)cn1 ZINC001164714221 720068373 /nfs/dbraw/zinc/06/83/73/720068373.db2.gz PWOFFWKQCGJYQI-OLZOCXBDSA-N 0 0 402.232 3.051 20 0 HGADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nccc(Cl)n2)cs1 ZINC001164818576 720250864 /nfs/dbraw/zinc/25/08/64/720250864.db2.gz ZNSUPCPOKGCBGF-QWHCGFSZSA-N 0 0 413.881 3.210 20 0 HGADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nccc(Cl)n2)cs1 ZINC001164818574 720251383 /nfs/dbraw/zinc/25/13/83/720251383.db2.gz ZNSUPCPOKGCBGF-OLZOCXBDSA-N 0 0 413.881 3.210 20 0 HGADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)nc2)cs1 ZINC001164818095 720252456 /nfs/dbraw/zinc/25/24/56/720252456.db2.gz XEVKNZBRUJNJGK-KGLIPLIRSA-N 0 0 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CXHWSIJNNZMCNC-XMMPIXPASA-N 0 0 419.481 3.499 20 0 HGADRN CC(C)COc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001263628377 939828626 /nfs/dbraw/zinc/82/86/26/939828626.db2.gz SOYPYYPPPNEHIV-RUZDIDTESA-N 0 0 424.541 3.500 20 0 HGADRN COc1cc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])ccc1OC(F)F ZINC000426721425 1126082275 /nfs/dbraw/zinc/08/22/75/1126082275.db2.gz BNAWQCUBIYLQSF-OAHLLOKOSA-N 0 0 423.412 3.243 20 0 HGADRN CCOc1cc(C[NH2+][C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc(Cl)c1OC ZINC000426721775 1126082388 /nfs/dbraw/zinc/08/23/88/1126082388.db2.gz TWEUGZAJHLDSSA-LBPRGKRZSA-N 0 0 421.803 3.206 20 0 HGADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000426725958 1126083365 /nfs/dbraw/zinc/08/33/65/1126083365.db2.gz GFPLIAXBJQVOCA-GFCCVEGCSA-N 0 0 411.302 3.086 20 0 HGADRN O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000426729510 1126083874 /nfs/dbraw/zinc/08/38/74/1126083874.db2.gz DHOMRJJZUDIKIC-KRWDZBQOSA-N 0 0 408.355 3.211 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PPSVPKYODRYJDW-JKSUJKDBSA-N 0 0 418.954 3.246 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5ncc(F)cc5n4)CC[C@@H]32)cs1 ZINC001164985135 722184643 /nfs/dbraw/zinc/18/46/43/722184643.db2.gz ARHKDVZRBQFTGU-VQTJNVASSA-N 0 0 413.522 3.404 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(-c5ccccn5)ncn4)CC[C@@H]32)cs1 ZINC001164990128 722185399 /nfs/dbraw/zinc/18/53/99/722185399.db2.gz QIMNBHPPMXILAA-LEWJYISDSA-N 0 0 422.558 3.173 20 0 HGADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN([C@H](F)c3ccnc(Cl)c3)C[C@@H]12 ZINC001164988785 722187064 /nfs/dbraw/zinc/18/70/64/722187064.db2.gz GKYDKXMCGWURLV-HOJAQTOUSA-N 0 0 423.941 3.381 20 0 HGADRN CC(=O)N1CC2(CCN([C@H](F)Oc3cncc(Cl)n3)CC2)c2cc(C)ccc21 ZINC001164989889 722189622 /nfs/dbraw/zinc/18/96/22/722189622.db2.gz RJWXQXLGVAUYFM-IBGZPJMESA-N 0 0 404.873 3.471 20 0 HGADRN NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164996217 722201643 /nfs/dbraw/zinc/20/16/43/722201643.db2.gz RQVHFCRJRJKLLB-IBGZPJMESA-N 0 0 424.307 3.266 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3nc4ccccc4nc3Cl)[C@H]2C1 ZINC001164994786 722215435 /nfs/dbraw/zinc/21/54/35/722215435.db2.gz DJCOGOLHCXNTCI-VBNZEHGJSA-N 0 0 424.879 3.337 20 0 HGADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164996429 722216743 /nfs/dbraw/zinc/21/67/43/722216743.db2.gz NATYLKPLVBNKKW-IMJJTQAJSA-N 0 0 413.896 3.363 20 0 HGADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cc(Cl)nc2c1CCC2 ZINC001164995232 722217532 /nfs/dbraw/zinc/21/75/32/722217532.db2.gz HKDNRNPQOCFRMW-VUCTXSBTSA-N 0 0 413.896 3.277 20 0 HGADRN O=C1C[C@]2(CCN(C(F)(F)c3ccc(Cl)nn3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999243 722219796 /nfs/dbraw/zinc/21/97/96/722219796.db2.gz OJATVEADCZTWSQ-SFHVURJKSA-N 0 0 422.819 3.037 20 0 HGADRN O=C1C[C@@]2(CCN(C(F)(F)c3cncc(Cl)n3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164998638 722220075 /nfs/dbraw/zinc/22/00/75/722220075.db2.gz KXIWPLYPXZGOHE-GOSISDBHSA-N 0 0 422.819 3.037 20 0 HGADRN COCCO[C@@H]1CCN(C(F)(F)c2cc(C)nc(Cl)c2)[C@@H]1Cc1cnn(C)c1 ZINC001164998197 722222234 /nfs/dbraw/zinc/22/22/34/722222234.db2.gz GZDJGFVWVYZMJM-IAGOWNOFSA-N 0 0 414.884 3.175 20 0 HGADRN COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c(F)c2)[C@H]1Cc1cnn(C)c1 ZINC001164999018 722223500 /nfs/dbraw/zinc/22/35/00/722223500.db2.gz NVZAIYMQXOGGEZ-HOTGVXAUSA-N 0 0 418.847 3.006 20 0 HGADRN COCCO[C@H]1CCN(C(F)(F)c2nc(Cl)ccc2C)[C@@H]1Cc1cnn(C)c1 ZINC001164999045 722223936 /nfs/dbraw/zinc/22/39/36/722223936.db2.gz HGVLDKBEODNRCG-CVEARBPZSA-N 0 0 414.884 3.175 20 0 HGADRN CSc1cnc(Cl)c(C(F)(F)N2CCCn3cnc(CNC(C)=O)c3C2)c1 ZINC001164998744 722228517 /nfs/dbraw/zinc/22/85/17/722228517.db2.gz FGWNNGXPWWQXLQ-UHFFFAOYSA-N 0 0 415.897 3.245 20 0 HGADRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CCC2 ZINC001165000952 722228820 /nfs/dbraw/zinc/22/88/20/722228820.db2.gz WOSMYBMRSSOCEY-UHFFFAOYSA-N 0 0 409.868 3.400 20 0 HGADRN CN1CCN(c2ncnc3c2CCN(c2nccc4c(Cl)cccc42)CC3)CC1 ZINC001164996616 722232675 /nfs/dbraw/zinc/23/26/75/722232675.db2.gz GZUSQJYXQIKTQC-UHFFFAOYSA-N 0 0 408.937 3.035 20 0 HGADRN CC(C)CN1c2ccccc2[C@H]2CN(c3ccnc(N4CCN(C)CC4)n3)CC[C@H]21 ZINC001165005686 722245746 /nfs/dbraw/zinc/24/57/46/722245746.db2.gz VQQMAPZVKSQTAQ-IFMALSPDSA-N 0 0 406.578 3.067 20 0 HGADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cccnc1Cl)CCO2 ZINC001164999860 722248729 /nfs/dbraw/zinc/24/87/29/722248729.db2.gz DJACHWHQBPFLMK-SFHVURJKSA-N 0 0 411.836 3.385 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc(-c3ccccc3)nn1)C2 ZINC001165004192 722261672 /nfs/dbraw/zinc/26/16/72/722261672.db2.gz NXKVBNHDZRZPJI-XMMPIXPASA-N 0 0 417.488 3.210 20 0 HGADRN COc1ccc2c(ccnc2N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1 ZINC001165004202 722262223 /nfs/dbraw/zinc/26/22/23/722262223.db2.gz OFFAOROQBIIHHQ-XMMPIXPASA-N 0 0 420.488 3.310 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nc3[nH]ccc3cc1Cl)C2 ZINC001165006885 722265926 /nfs/dbraw/zinc/26/59/26/722265926.db2.gz NGTCIDDIVDVORV-NRFANRHFSA-N 0 0 413.884 3.235 20 0 HGADRN CCCSc1cncc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1 ZINC001165004364 722269169 /nfs/dbraw/zinc/26/91/69/722269169.db2.gz ANOHRSZXYUMHSH-NRFANRHFSA-N 0 0 415.538 3.045 20 0 HGADRN Cc1ccc(-c2ccc(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)nn2)o1 ZINC001165007779 722269299 /nfs/dbraw/zinc/26/92/99/722269299.db2.gz XXDDFHJEGZYXDD-QHCPKHFHSA-N 0 0 421.476 3.112 20 0 HGADRN COc1ccc([C@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]2CCCCC2)cc1 ZINC000780343613 939107105 /nfs/dbraw/zinc/10/71/05/939107105.db2.gz LEYVLEGNKPZUSX-IBGZPJMESA-N 0 0 403.523 3.309 20 0 HGADRN COc1ccccc1[C@@H](CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCCCC1 ZINC000780452548 939123274 /nfs/dbraw/zinc/12/32/74/939123274.db2.gz WNKCKVQTHLIXSB-GOSISDBHSA-N 0 0 403.523 3.309 20 0 HGADRN COc1ccccc1C/C(C)=C\C(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123371668 939821834 /nfs/dbraw/zinc/82/18/34/939821834.db2.gz AOXIPXDUJCCEJW-MGIPWVDBSA-N 0 0 422.525 3.420 20 0 HGADRN COc1cc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Br)c1O ZINC000426662888 1126081395 /nfs/dbraw/zinc/08/13/95/1126081395.db2.gz HTLMQBSWMYSWMP-MRXNPFEDSA-N 0 0 419.275 3.430 20 0 HGADRN Cc1cnn(C[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000426720204 1126082035 /nfs/dbraw/zinc/08/20/35/1126082035.db2.gz LGBYUJLGQYXSIE-ZDUSSCGKSA-N 0 0 406.202 3.216 20 0 HGADRN Cc1ccc(C[NH2+][C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1Br ZINC000426721314 1126082226 /nfs/dbraw/zinc/08/22/26/1126082226.db2.gz RWDQNWMSLNCSJP-GFCCVEGCSA-N 0 0 406.202 3.216 20 0 HGADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cncc(Br)c1 ZINC000426722942 1126082672 /nfs/dbraw/zinc/08/26/72/1126082672.db2.gz XNIWVAAJRCPQCQ-CQSZACIVSA-N 0 0 414.097 3.392 20 0 HGADRN CCOc1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1OCC ZINC000426727749 1126083634 /nfs/dbraw/zinc/08/36/34/1126083634.db2.gz QDGCUWIOGVWWJJ-GOSISDBHSA-N 0 0 415.486 3.431 20 0 HGADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000426765554 1126089308 /nfs/dbraw/zinc/08/93/08/1126089308.db2.gz POQNMQRSLIBWFK-AWEZNQCLSA-N 0 0 415.339 3.281 20 0 HGADRN Cc1cc(C)cc(C[C@@H]([NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C(=O)[O-])c1 ZINC000426772112 1126089645 /nfs/dbraw/zinc/08/96/45/1126089645.db2.gz BTTZQNAUHOJUBL-LJQANCHMSA-N 0 0 402.857 3.462 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C(=O)[O-])cc(OC)c1 ZINC000426792533 1126090917 /nfs/dbraw/zinc/09/09/17/1126090917.db2.gz JVYIOFPFYUCTBV-QGZVFWFLSA-N 0 0 412.255 3.391 20 0 HGADRN Cc1nc(COc2ccc(C[NH2+][C@@H](Cc3cccc(Cl)c3)C(=O)[O-])cc2)no1 ZINC000426743985 1126086093 /nfs/dbraw/zinc/08/60/93/1126086093.db2.gz VQISYCCJGSMJNU-SFHVURJKSA-N 0 0 401.850 3.396 20 0 HGADRN O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000426750194 1126087005 /nfs/dbraw/zinc/08/70/05/1126087005.db2.gz LUGZZGDYWZHCGG-INIZCTEOSA-N 0 0 422.819 3.308 20 0 HGADRN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1O ZINC000426752141 1126087413 /nfs/dbraw/zinc/08/74/13/1126087413.db2.gz AXHFJYVQEXDYAH-OAHLLOKOSA-N 0 0 419.275 3.430 20 0 HGADRN COc1cccc(C[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C(=O)[O-])c1 ZINC000426809227 1126091689 /nfs/dbraw/zinc/09/16/89/1126091689.db2.gz UHUMPHZUWLKCJQ-QGZVFWFLSA-N 0 0 406.276 3.178 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2ccc(Br)cc2OC)C(=O)[O-])cc(OC)c1 ZINC000426818964 1126092532 /nfs/dbraw/zinc/09/25/32/1126092532.db2.gz UJNODVZFVNUIPJ-QGZVFWFLSA-N 0 0 424.291 3.260 20 0 HGADRN COc1ccc2nc(C[NH2+][C@H](Cc3cc(OC)cc(OC)c3)C(=O)[O-])sc2c1 ZINC000426824880 1126093038 /nfs/dbraw/zinc/09/30/38/1126093038.db2.gz OMAZANCAFYQRJH-QGZVFWFLSA-N 0 0 402.472 3.108 20 0 HGADRN CN(C)c1nc(CN[C@@H](CO)Cc2ccc(F)cc2)c(Cl)n1-c1ccccc1 ZINC000802647888 1126110607 /nfs/dbraw/zinc/11/06/07/1126110607.db2.gz RMDQXIBVRBQBRA-QGZVFWFLSA-N 0 0 402.901 3.424 20 0 HGADRN Cc1cc(C[NH2+][C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])cc(C)c1OC(F)F ZINC000756387757 1126108779 /nfs/dbraw/zinc/10/87/79/1126108779.db2.gz MQPUYLJEQHCHNZ-GOSISDBHSA-N 0 0 416.428 3.271 20 0 HGADRN O=C([O-])[C@@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC001339025699 1126181261 /nfs/dbraw/zinc/18/12/61/1126181261.db2.gz YWIVCUZPVPBOTL-CQSZACIVSA-N 0 0 409.671 3.090 20 0 HGADRN C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003349105 568885111 /nfs/dbraw/zinc/88/51/11/568885111.db2.gz SUJDWANAZJUPAJ-ZDUSSCGKSA-N 0 0 401.513 3.355 20 0 HGADRN O=C(Nc1ccc2c(c1)CC(=O)N2)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 ZINC000328602577 569416640 /nfs/dbraw/zinc/41/66/40/569416640.db2.gz CDTRRMRSKJYCHL-HRAATJIYSA-N 0 0 406.417 3.222 20 0 HGADRN NC(=O)COc1ccccc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328608365 569419395 /nfs/dbraw/zinc/41/93/95/569419395.db2.gz YTFMVARWUFFJFX-IVZQSRNASA-N 0 0 410.474 3.130 20 0 HGADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C(=O)c3ccccc3[C@H]2C1 ZINC001164400000 718846003 /nfs/dbraw/zinc/84/60/03/718846003.db2.gz MVWOKCYAHLTQCC-KGLIPLIRSA-N 0 0 407.804 3.268 20 0 HGADRN COC(=O)c1cc(C(F)(F)N2C[C@@H]3C(=O)Nc4ccccc4[C@@H]3C2)cnc1Cl ZINC001164406874 718856492 /nfs/dbraw/zinc/85/64/92/718856492.db2.gz 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3.070 20 0 HGADRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001165009306 721725703 /nfs/dbraw/zinc/72/57/03/721725703.db2.gz WFCCBCDLXACQPG-SFHVURJKSA-N 0 0 409.868 3.450 20 0 HGADRN C[C@@H]1CC(=O)Nc2ncnc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c21 ZINC001164909571 721755758 /nfs/dbraw/zinc/75/57/58/721755758.db2.gz IBYSIQQALNYAIJ-OAHLLOKOSA-N 0 0 418.501 3.105 20 0 HGADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)[C@@H]2C1 ZINC001165016304 721771706 /nfs/dbraw/zinc/77/17/06/721771706.db2.gz OXEQPGBDUHYXFU-WDEREUQCSA-N 0 0 414.865 3.298 20 0 HGADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001165024560 721783761 /nfs/dbraw/zinc/78/37/61/721783761.db2.gz XYQDVOYDJQKMAP-KRWDZBQOSA-N 0 0 411.815 3.233 20 0 HGADRN O=C1[C@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@@H]2CN1c1cccnc1 ZINC001165018323 721789485 /nfs/dbraw/zinc/78/94/85/721789485.db2.gz HSKLJVOPTPVGBL-DOMZBBRYSA-N 0 0 415.831 3.322 20 0 HGADRN O=C1[C@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@H]2CN1c1cccnc1 ZINC001165026462 721791330 /nfs/dbraw/zinc/79/13/30/721791330.db2.gz YWNTUGPFLDRLNJ-JSGCOSHPSA-N 0 0 415.831 3.322 20 0 HGADRN O=C1[C@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@H]2CN1c1cccnc1 ZINC001165020848 721792092 /nfs/dbraw/zinc/79/20/92/721792092.db2.gz LVBXHKDTVQYMGV-JSGCOSHPSA-N 0 0 405.836 3.047 20 0 HGADRN O=C1[C@H]2CN(C(Cl)(Cl)Oc3ccc(Cl)nc3)C[C@@H]2CN1c1cccnc1 ZINC001165026135 721793436 /nfs/dbraw/zinc/79/34/36/721793436.db2.gz YGVQNOLNYVVGSZ-RISCZKNCSA-N 0 0 413.692 3.193 20 0 HGADRN FC(F)(c1nccnc1Cl)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164914153 721802924 /nfs/dbraw/zinc/80/29/24/721802924.db2.gz AMUCPYKTOJATSP-OAHLLOKOSA-N 0 0 416.810 3.207 20 0 HGADRN FC(F)(COc1cccc(Cl)n1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164918028 721806278 /nfs/dbraw/zinc/80/62/78/721806278.db2.gz ZLYUIKDSASWJJN-MAUKXSAKSA-N 0 0 411.836 3.414 20 0 HGADRN FC(F)(c1ccnc(Cl)n1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164919224 721808476 /nfs/dbraw/zinc/80/84/76/721808476.db2.gz WTPHGNCCAZMGEU-LALPHHSUSA-N 0 0 416.881 3.332 20 0 HGADRN Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(C(C)C)cn4)CCO3)C2)cs1 ZINC001164921338 721828714 /nfs/dbraw/zinc/82/87/14/721828714.db2.gz JUAOVVSMABOIIS-NRFANRHFSA-N 0 0 402.564 3.078 20 0 HGADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001165022563 721833136 /nfs/dbraw/zinc/83/31/36/721833136.db2.gz QCSYWZYAEGFBRU-UHFFFAOYSA-N 0 0 422.798 3.132 20 0 HGADRN Fc1c(Cl)nccc1C(F)(F)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164926290 721837912 /nfs/dbraw/zinc/83/79/12/721837912.db2.gz RIJUKEMEYADQOR-SCLBCKFNSA-N 0 0 413.827 3.484 20 0 HGADRN Fc1ccc(C(F)(F)N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)nc1Cl ZINC001164928721 721837978 /nfs/dbraw/zinc/83/79/78/721837978.db2.gz YFRZKUKTXOLZOG-ACJLOTCBSA-N 0 0 413.827 3.484 20 0 HGADRN Cc1nc(Cl)cc(C(F)(F)N2C[C@@H]3COC[C@@]3(COCc3ccccn3)C2)n1 ZINC001164926761 721838119 /nfs/dbraw/zinc/83/81/19/721838119.db2.gz RWSXQPCZWBSOID-RDTXWAMCSA-N 0 0 410.852 3.048 20 0 HGADRN FC(F)(Oc1cccc(Cl)n1)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164925303 721838555 /nfs/dbraw/zinc/83/85/55/721838555.db2.gz OIVMTLBPXAVMNA-KSSFIOAISA-N 0 0 411.836 3.224 20 0 HGADRN Fc1cnc(Cl)cc1C(F)(F)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164925721 721838797 /nfs/dbraw/zinc/83/87/97/721838797.db2.gz PPAKJBDPGSQVDY-UGSOOPFHSA-N 0 0 413.827 3.484 20 0 HGADRN Fc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164928130 721838892 /nfs/dbraw/zinc/83/88/92/721838892.db2.gz WHYBBGFMFAXULB-ACJLOTCBSA-N 0 0 413.827 3.484 20 0 HGADRN COc1cc(OC)nc(CN2CCN(c3nc(Cl)cc4ccc(C)cc43)CC2)n1 ZINC001165029952 721849143 /nfs/dbraw/zinc/84/91/43/721849143.db2.gz LFSGGUJPNKNYIH-UHFFFAOYSA-N 0 0 413.909 3.326 20 0 HGADRN COc1cc(OC)nc(CN2CCN(c3cc(Cl)nc4c(F)cccc34)CC2)n1 ZINC001165029287 721851588 /nfs/dbraw/zinc/85/15/88/721851588.db2.gz IUFCXQCJCUGCCR-UHFFFAOYSA-N 0 0 417.872 3.157 20 0 HGADRN NC(=O)c1ccc(C(F)(F)N(Cc2cccnc2)Cc2ccccn2)nc1Cl ZINC001165037557 721880894 /nfs/dbraw/zinc/88/08/94/721880894.db2.gz OFSXTXSLJNEVMS-UHFFFAOYSA-N 0 0 403.820 3.376 20 0 HGADRN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165039047 721881582 /nfs/dbraw/zinc/88/15/82/721881582.db2.gz WTHVFZISYYPILB-UHFFFAOYSA-N 0 0 401.808 3.500 20 0 HGADRN Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)NC2CCC2)C1 ZINC001164934347 721896169 /nfs/dbraw/zinc/89/61/69/721896169.db2.gz PJMHDTMJKKNXKL-FRFSOERESA-N 0 0 413.896 3.488 20 0 HGADRN C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)C1 ZINC001165037177 721896246 /nfs/dbraw/zinc/89/62/46/721896246.db2.gz WDLHWGCJRCZZNG-CQSZACIVSA-N 0 0 417.560 3.023 20 0 HGADRN Cn1ccc(CN2CCOCC23CCN(c2cc(Cl)nc4ccccc42)CC3)n1 ZINC001164929863 721902404 /nfs/dbraw/zinc/90/24/04/721902404.db2.gz HXOKMEHPEALQJJ-UHFFFAOYSA-N 0 0 411.937 3.493 20 0 HGADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164939230 721911253 /nfs/dbraw/zinc/91/12/53/721911253.db2.gz OBGXHXIHZMFNPA-WBMJQRKESA-N 0 0 411.811 3.008 20 0 HGADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164938364 721915682 /nfs/dbraw/zinc/91/56/82/721915682.db2.gz MEVUFXLITCFISS-UHFFFAOYSA-N 0 0 418.839 3.008 20 0 HGADRN F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001165043459 721920746 /nfs/dbraw/zinc/92/07/46/721920746.db2.gz KJVISTKPTAJIFE-FXAWDEMLSA-N 0 0 406.889 3.226 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)nc4c(C)cccc43)C[C@H]21 ZINC001164945801 721941954 /nfs/dbraw/zinc/94/19/54/721941954.db2.gz VALQKPAMGVRBAH-MSOLQXFVSA-N 0 0 413.909 3.286 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cc(Cl)ncc3F)C[C@@H]21 ZINC001164940090 721945118 /nfs/dbraw/zinc/94/51/18/721945118.db2.gz AHSSUWHCCDFVFT-HOTGVXAUSA-N 0 0 416.831 3.113 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ccc3C)C[C@H]21 ZINC001164940292 721949980 /nfs/dbraw/zinc/94/99/80/721949980.db2.gz AYTCYQDTNLSQQU-CVEARBPZSA-N 0 0 412.868 3.283 20 0 HGADRN COc1ccc2c(C)cc(N3C[C@H]4OCCN(Cc5c(C)noc5C)[C@H]4C3)nc2c1 ZINC001164943006 721950389 /nfs/dbraw/zinc/95/03/89/721950389.db2.gz MPYPYQVRIWIOPG-FCHUYYIVSA-N 0 0 408.502 3.246 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(-c4ccc(C)cc4)nn3)C[C@H]21 ZINC001164941719 721954998 /nfs/dbraw/zinc/95/49/98/721954998.db2.gz BAGXOZRAFALCDA-FGZHOGPDSA-N 0 0 405.502 3.146 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(-c4cc(C)ccc4C)nn3)C[C@@H]21 ZINC001164949633 721958301 /nfs/dbraw/zinc/95/83/01/721958301.db2.gz VGFYMPURQGSLEM-XZOQPEGZSA-N 0 0 419.529 3.455 20 0 HGADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cnnc(Cl)c3)C[C@H]12 ZINC001164942027 721966308 /nfs/dbraw/zinc/96/63/08/721966308.db2.gz AKEXGQJPAOVVRG-HKUYNNGSSA-N 0 0 406.864 3.444 20 0 HGADRN CCc1cc2c(ccnc2N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)o1 ZINC001164948967 721981197 /nfs/dbraw/zinc/98/11/97/721981197.db2.gz NSSFSNKWEWVEOU-UHFFFAOYSA-N 0 0 404.514 3.361 20 0 HGADRN COC(=O)CCN(Cc1ccco1)c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001165050888 721982271 /nfs/dbraw/zinc/98/22/71/721982271.db2.gz XSNYJJDYRDDBMS-UHFFFAOYSA-N 0 0 406.486 3.198 20 0 HGADRN COC(=O)CCN(Cc1ccco1)C(F)(F)c1cc(C(=O)OC)cnc1Cl ZINC001165049882 721982651 /nfs/dbraw/zinc/98/26/51/721982651.db2.gz NIULJJWGEYSUKQ-UHFFFAOYSA-N 0 0 402.781 3.229 20 0 HGADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)ncn1 ZINC001164964653 722027588 /nfs/dbraw/zinc/02/75/88/722027588.db2.gz XMHVOKLHEQUKDL-YWPYICTPSA-N 0 0 400.788 3.024 20 0 HGADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)nc1 ZINC001164965139 722028262 /nfs/dbraw/zinc/02/82/62/722028262.db2.gz ZYGGTUJYYCROND-BFHYXJOUSA-N 0 0 400.788 3.024 20 0 HGADRN Nc1cc(Cl)ncc1C(F)(F)N1CCO[C@H]2[C@H]1CC[C@@H]2Oc1ncccc1F ZINC001164962665 722028863 /nfs/dbraw/zinc/02/88/63/722028863.db2.gz YNZFQCBYKKRQFG-YCPHGPKFSA-N 0 0 414.815 3.211 20 0 HGADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cncc(Cl)n1 ZINC001164962054 722029134 /nfs/dbraw/zinc/02/91/34/722029134.db2.gz XAYLVLTUXMJNSE-YWPYICTPSA-N 0 0 400.788 3.024 20 0 HGADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc(Cl)c(Cl)n4)C[C@@H]3O2)n1 ZINC001164958490 722041328 /nfs/dbraw/zinc/04/13/28/722041328.db2.gz DIJAKUYJPRJXFV-SCVCMEIPSA-N 0 0 405.232 3.461 20 0 HGADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@H]21 ZINC001164956800 722048483 /nfs/dbraw/zinc/04/84/83/722048483.db2.gz CTQMMUOIDSUSIL-CMPLNLGQSA-N 0 0 407.808 3.100 20 0 HGADRN CSc1nc(Cl)cc(C(F)(F)N2CCc3onc(Cn4cccn4)c3C2)n1 ZINC001164957171 722050168 /nfs/dbraw/zinc/05/01/68/722050168.db2.gz HZBHMUOUCJGCCU-UHFFFAOYSA-N 0 0 412.853 3.192 20 0 HGADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)nc1Cl ZINC001164964450 722063743 /nfs/dbraw/zinc/06/37/43/722063743.db2.gz GTXIDYAGGOMMTK-QWRGUYRKSA-N 0 0 420.272 3.278 20 0 HGADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc(F)c(Cl)n1 ZINC001164966119 722063841 /nfs/dbraw/zinc/06/38/41/722063841.db2.gz OJFZBAWXPGJIQX-NWDGAFQWSA-N 0 0 402.829 3.369 20 0 HGADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)Oc1cccnc1Cl ZINC001164966538 722064131 /nfs/dbraw/zinc/06/41/31/722064131.db2.gz VUAUCFYTYMGLSH-NEPJUHHUSA-N 0 0 400.838 3.110 20 0 HGADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)Oc1ccnc(Cl)c1 ZINC001164966250 722065750 /nfs/dbraw/zinc/06/57/50/722065750.db2.gz OYVVTTVXCOFYRB-QWHCGFSZSA-N 0 0 400.838 3.110 20 0 HGADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001164974996 722088749 /nfs/dbraw/zinc/08/87/49/722088749.db2.gz PTYXDPCXWMZWOF-UHFFFAOYSA-N 0 0 414.247 3.180 20 0 HGADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001164972859 722088798 /nfs/dbraw/zinc/08/87/98/722088798.db2.gz IOHQQYZGFQCYDG-UHFFFAOYSA-N 0 0 414.247 3.180 20 0 HGADRN FC(F)(N1CCCn2c(Cn3cccn3)nnc2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164977668 722089134 /nfs/dbraw/zinc/08/91/34/722089134.db2.gz VKVNSKWLANNWDE-UHFFFAOYSA-N 0 0 419.867 3.102 20 0 HGADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3)C[C@H]2c2ccccc21 ZINC001164972834 722089234 /nfs/dbraw/zinc/08/92/34/722089234.db2.gz IFZLMUHUQCLIEW-SWLSCSKDSA-N 0 0 413.877 3.280 20 0 HGADRN Cn1cc(N2C[C@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@H]3C2=O)cn1 ZINC001164984343 722095136 /nfs/dbraw/zinc/09/51/36/722095136.db2.gz VQRXZZSIGLRTIU-UKRRQHHQSA-N 0 0 417.847 3.266 20 0 HGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)ncn3)C[C@@H]21 ZINC001164974448 722096742 /nfs/dbraw/zinc/09/67/42/722096742.db2.gz DFBTUTAQHWNDGJ-GRDNDAEWSA-N 0 0 407.852 3.221 20 0 HGADRN CSc1nc(C)cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164990329 722174089 /nfs/dbraw/zinc/17/40/89/722174089.db2.gz VPJXFWURGALMHZ-DLBZAZTESA-N 0 0 405.593 3.142 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nccc5scnc54)CC[C@H]32)cs1 ZINC001164989998 722182869 /nfs/dbraw/zinc/18/28/69/722182869.db2.gz NEZPDFVTHWJFSO-HZPDHXFCSA-N 0 0 401.561 3.326 20 0 HGADRN CCOc1c(Cl)ncnc1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@@H]2CC1 ZINC001164990486 722183083 /nfs/dbraw/zinc/18/30/83/722183083.db2.gz NIIHCSHYANHNEC-HZPDHXFCSA-N 0 0 423.970 3.163 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)c(Cl)c(C)n4)CC[C@@H]32)cs1 ZINC001164994222 722183785 /nfs/dbraw/zinc/18/37/85/722183785.db2.gz YSPRYXIGQZMQOD-IRXDYDNUSA-N 0 0 407.971 3.382 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4cncc(OCC(C)C)n4)CC[C@H]32)cs1 ZINC001164985688 722185401 /nfs/dbraw/zinc/18/54/01/722185401.db2.gz BVCKKHNKPHSNOE-MOPGFXCFSA-N 0 0 417.579 3.146 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nccnc4OC4CCC4)CC[C@@H]32)cs1 ZINC001164992257 722186126 /nfs/dbraw/zinc/18/61/26/722186126.db2.gz VRNBIEWRFXZXNF-OALUTQOASA-N 0 0 415.563 3.043 20 0 HGADRN CCc1cc(CC)nc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164987292 722186548 /nfs/dbraw/zinc/18/65/48/722186548.db2.gz JHFPTFSZOCHUEO-PMACEKPBSA-N 0 0 401.580 3.236 20 0 HGADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)Oc1cccc(Cl)n1)CC2 ZINC001164990950 722187525 /nfs/dbraw/zinc/18/75/25/722187525.db2.gz NNBRRXFMKTXPSN-CQSZACIVSA-N 0 0 417.884 3.261 20 0 HGADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)Oc1ccnc(Cl)c1)CC2 ZINC001164987717 722187705 /nfs/dbraw/zinc/18/77/05/722187705.db2.gz AKPASIMVEAJVKI-OAHLLOKOSA-N 0 0 417.884 3.261 20 0 HGADRN CC(=O)N1CC2(CCN([C@@H](F)Oc3cncc(Cl)n3)CC2)c2cc(C)ccc21 ZINC001164989898 722189749 /nfs/dbraw/zinc/18/97/49/722189749.db2.gz RJWXQXLGVAUYFM-LJQANCHMSA-N 0 0 404.873 3.471 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3cc(Cl)ncc3Cl)[C@H]2C1 ZINC001164997802 722214190 /nfs/dbraw/zinc/21/41/90/722214190.db2.gz RYCWDEOONZAJEE-BPNCWPANSA-N 0 0 408.276 3.442 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)[C@@H]2C1 ZINC001164998462 722214376 /nfs/dbraw/zinc/21/43/76/722214376.db2.gz VQSYFXPFQAPNSB-JCURWCKSSA-N 0 0 424.879 3.337 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cc(Cl)nc4c3CCC4)[C@@H]2C1 ZINC001164995231 722217511 /nfs/dbraw/zinc/21/75/11/722217511.db2.gz HKDNRNPQOCFRMW-JCURWCKSSA-N 0 0 413.896 3.277 20 0 HGADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2nc(C)cc(Cl)n2)n1 ZINC001164998706 722226207 /nfs/dbraw/zinc/22/62/07/722226207.db2.gz DQDCUQXCERYGAR-CYBMUJFWSA-N 0 0 412.872 3.197 20 0 HGADRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CCC2 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ZINC001560100980 1126207927 /nfs/dbraw/zinc/20/79/27/1126207927.db2.gz YWTCHOXEFDYKQQ-YJBOKZPZSA-N 0 0 407.392 3.369 20 0 HGADRN COc1ccc(C[C@](C)(CO)NCc2nnc(-c3cccc(Cl)c3)o2)cc1OC ZINC001560185626 1126209989 /nfs/dbraw/zinc/20/99/89/1126209989.db2.gz WJIRRBGLQSFRQZ-OAQYLSRUSA-N 0 0 417.893 3.491 20 0 HGADRN Cc1cc(C)c(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)o1 ZINC000328603760 569417045 /nfs/dbraw/zinc/41/70/45/569417045.db2.gz HDIPKVPCCBDXBJ-MGPUTAFESA-N 0 0 410.449 3.171 20 0 HGADRN Cc1cc(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)ccc1C(N)=O ZINC000328604054 569417205 /nfs/dbraw/zinc/41/72/05/569417205.db2.gz IGMZJVOFDPGWCQ-ICSRJNTNSA-N 0 0 408.433 3.135 20 0 HGADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)nc1Cl ZINC001164400059 718846047 /nfs/dbraw/zinc/84/60/47/718846047.db2.gz ONOGQQXESQZVGT-KBPBESRZSA-N 0 0 407.804 3.268 20 0 HGADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3C(=O)Nc4ccccc4[C@@H]3C2)nc1Cl ZINC001164405606 718855409 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Cc1nc(CN2CCO[C@H]3CCN(c4cnc(-c5ccco5)cn4)CC[C@@H]32)cs1 ZINC001164991183 722180535 /nfs/dbraw/zinc/18/05/35/722180535.db2.gz PBKPFJSLTXXOPY-ICSRJNTNSA-N 0 0 411.531 3.371 20 0 HGADRN COc1ccc(Cl)c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)n1 ZINC001164986654 722182242 /nfs/dbraw/zinc/18/22/42/722182242.db2.gz FAJDQHNEGIWEBF-IAGOWNOFSA-N 0 0 408.955 3.378 20 0 HGADRN CCOc1c(Cl)ncnc1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164990484 722183073 /nfs/dbraw/zinc/18/30/73/722183073.db2.gz NIIHCSHYANHNEC-CVEARBPZSA-N 0 0 423.970 3.163 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccnc(-c5cccnc5)n4)CC[C@@H]32)cs1 ZINC001164988545 722183513 /nfs/dbraw/zinc/18/35/13/722183513.db2.gz KJNFUSQPHSZMSP-PMACEKPBSA-N 0 0 422.558 3.173 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)c(Cl)c(C)n4)CC[C@H]32)cs1 ZINC001164994224 722183825 /nfs/dbraw/zinc/18/38/25/722183825.db2.gz YSPRYXIGQZMQOD-SJORKVTESA-N 0 0 407.971 3.382 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5ccco5)nn4)CC[C@@H]32)cs1 ZINC001164985145 722185647 /nfs/dbraw/zinc/18/56/47/722185647.db2.gz ASAPZDZCCJMOMA-AZUAARDMSA-N 0 0 411.531 3.371 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(-c5ccncc5)nn4)CC[C@H]32)cs1 ZINC001164991647 722185708 /nfs/dbraw/zinc/18/57/08/722185708.db2.gz UMACMEYOLQKRRR-RTWAWAEBSA-N 0 0 422.558 3.173 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(-c5ccccn5)nn4)CC[C@H]32)cs1 ZINC001164990122 722185709 /nfs/dbraw/zinc/18/57/09/722185709.db2.gz QGVINKQPSYRGMO-RTWAWAEBSA-N 0 0 422.558 3.173 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc5c(nn4)CC[C@H](C)C5)CC[C@@H]32)cs1 ZINC001164991723 722186241 /nfs/dbraw/zinc/18/62/41/722186241.db2.gz UOUKOTYENVDBDE-ONGXBYRLSA-N 0 0 413.591 3.236 20 0 HGADRN CCc1cc(Cl)nc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)n1 ZINC001164988683 722186256 /nfs/dbraw/zinc/18/62/56/722186256.db2.gz NPBUEGCRUZWZDS-SJORKVTESA-N 0 0 407.971 3.327 20 0 HGADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001164988726 722187349 /nfs/dbraw/zinc/18/73/49/722187349.db2.gz FOMIGTFYRJRNPE-OAHLLOKOSA-N 0 0 401.885 3.381 20 0 HGADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cc(Cl)cnc1Cl ZINC001164994362 722214164 /nfs/dbraw/zinc/21/41/64/722214164.db2.gz BBGSGAULLORFPL-GDLCADMTSA-N 0 0 408.276 3.442 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3ccnc(Cl)c3Cl)[C@@H]2C1 ZINC001164997509 722214186 /nfs/dbraw/zinc/21/41/86/722214186.db2.gz QZZWCDKTEKFIHI-CYZMBNFOSA-N 0 0 408.276 3.442 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)cc3Cl)[C@H]2C1 ZINC001164996917 722214258 /nfs/dbraw/zinc/21/42/58/722214258.db2.gz OMLRBFUIYWHNQI-LEWSCRJBSA-N 0 0 408.276 3.442 20 0 HGADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1c[nH]c2nc(Cl)ccc21 ZINC001164996150 722214885 /nfs/dbraw/zinc/21/48/85/722214885.db2.gz MGKVQFYUKQRFDD-GLQYFDAESA-N 0 0 412.868 3.270 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)[C@@H]2C1 ZINC001164997874 722216707 /nfs/dbraw/zinc/21/67/07/722216707.db2.gz SQSRMBWLEKRDQU-CYZMBNFOSA-N 0 0 424.275 3.322 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)Oc3ccc(Cl)nc3Cl)[C@@H]2C1 ZINC001164994735 722216846 /nfs/dbraw/zinc/21/68/46/722216846.db2.gz CXOLQFNOUYQPNX-DMDPSCGWSA-N 0 0 424.275 3.322 20 0 HGADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)Oc1ccc(Cl)nc1Cl ZINC001164994741 722216927 /nfs/dbraw/zinc/21/69/27/722216927.db2.gz CXOLQFNOUYQPNX-LOWVWBTDSA-N 0 0 424.275 3.322 20 0 HGADRN O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN([C@@H](F)c1ccnc(Cl)c1)C2 ZINC001164994281 722218037 /nfs/dbraw/zinc/21/80/37/722218037.db2.gz ABBLILAVXALFTO-QUCCMNQESA-N 0 0 417.872 3.025 20 0 HGADRN Cc1ccc2c(c1)cc(Cl)nc2N1CCc2ncnc(N3CCN(C)CC3)c2CC1 ZINC001164996626 722236115 /nfs/dbraw/zinc/23/61/15/722236115.db2.gz HHQAICDQQDLNIO-UHFFFAOYSA-N 0 0 422.964 3.344 20 0 HGADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cccc(Cl)n1)CCO2 ZINC001165002085 722248595 /nfs/dbraw/zinc/24/85/95/722248595.db2.gz VWMZEPFRRLXEFP-GOSISDBHSA-N 0 0 411.836 3.385 20 0 HGADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cccc(Cl)n1)CCO2 ZINC001165002086 722248661 /nfs/dbraw/zinc/24/86/61/722248661.db2.gz VWMZEPFRRLXEFP-SFHVURJKSA-N 0 0 411.836 3.385 20 0 HGADRN COc1cccc2ccc(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)nc21 ZINC001165004797 722262174 /nfs/dbraw/zinc/26/21/74/722262174.db2.gz ROHJNMNPUYPUIK-DEOSSOPVSA-N 0 0 420.488 3.310 20 0 HGADRN Cc1nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc2ccccc12 ZINC001165006131 722263838 /nfs/dbraw/zinc/26/38/38/722263838.db2.gz GVWHKWAGBQQRDI-HSZRJFAPSA-N 0 0 405.477 3.005 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncc(F)c3ccccc31)C2 ZINC001165006190 722265110 /nfs/dbraw/zinc/26/51/10/722265110.db2.gz IBLIKKZYSFTZRW-QHCPKHFHSA-N 0 0 408.452 3.441 20 0 HGADRN Cc1ccc2nc(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)ncc2c1 ZINC001165007264 722265118 /nfs/dbraw/zinc/26/51/18/722265118.db2.gz QYENUOWOTNKEMO-HSZRJFAPSA-N 0 0 405.477 3.005 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccc3c(F)cccc31)C2 ZINC001165007199 722265416 /nfs/dbraw/zinc/26/54/16/722265416.db2.gz QCIJGRZNXOGVCV-HSZRJFAPSA-N 0 0 408.452 3.441 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc3[nH]ccc3cc1Cl)C2 ZINC001165006886 722265964 /nfs/dbraw/zinc/26/59/64/722265964.db2.gz NGTCIDDIVDVORV-OAQYLSRUSA-N 0 0 413.884 3.235 20 0 HGADRN COc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000780342559 939106551 /nfs/dbraw/zinc/10/65/51/939106551.db2.gz UFVHSJMSCQXORR-WOJBJXKFSA-N 0 0 403.523 3.165 20 0 HGADRN COc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000780344374 939107419 /nfs/dbraw/zinc/10/74/19/939107419.db2.gz OZRVKKNQHINIKC-SFTDATJTSA-N 0 0 411.502 3.347 20 0 HGADRN O=C(/C=C\c1ccnc2ccccc12)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123372186 939821788 /nfs/dbraw/zinc/82/17/88/939821788.db2.gz MVJUDRHTFXPZBU-OKFWSBNLSA-N 0 0 415.493 3.484 20 0 HGADRN CCn1cc(CC(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC001263627570 939827680 /nfs/dbraw/zinc/82/76/80/939827680.db2.gz PFPCSGBZWYUUDY-VWLOTQADSA-N 0 0 419.525 3.439 20 0 HGADRN O=C([O-])[C@]1(NC(=O)CCc2c[nH]c3ccccc23)CCC[N@H+](Cc2ccccc2)C1 ZINC001263627561 939828083 /nfs/dbraw/zinc/82/80/83/939828083.db2.gz PDHAQVVMBHCJPO-DEOSSOPVSA-N 0 0 405.498 3.336 20 0 HGADRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(Br)c1O ZINC000426645856 1126081067 /nfs/dbraw/zinc/08/10/67/1126081067.db2.gz GEKTYCCAVPSUMU-HNNXBMFYSA-N 0 0 419.275 3.430 20 0 HGADRN COc1cccc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])n1 ZINC000426715130 1126081701 /nfs/dbraw/zinc/08/17/01/1126081701.db2.gz GTYUYXFVWIYJNI-OAHLLOKOSA-N 0 0 404.264 3.120 20 0 HGADRN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cn1 ZINC000426716418 1126081759 /nfs/dbraw/zinc/08/17/59/1126081759.db2.gz LYEXFNAHLMKYPV-OAHLLOKOSA-N 0 0 404.264 3.120 20 0 HGADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000426719279 1126081806 /nfs/dbraw/zinc/08/18/06/1126081806.db2.gz FOSLNEBZEFLRFJ-HNNXBMFYSA-N 0 0 411.376 3.374 20 0 HGADRN CCOc1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1OC ZINC000426722255 1126082436 /nfs/dbraw/zinc/08/24/36/1126082436.db2.gz GRYLEHXISRBOIG-KRWDZBQOSA-N 0 0 401.459 3.041 20 0 HGADRN CCOc1cc(C[NH2+][C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc(Cl)c1OC ZINC000426721769 1126082453 /nfs/dbraw/zinc/08/24/53/1126082453.db2.gz TWEUGZAJHLDSSA-GFCCVEGCSA-N 0 0 421.803 3.206 20 0 HGADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cc(F)ccc1Br ZINC000426723268 1126082647 /nfs/dbraw/zinc/08/26/47/1126082647.db2.gz YIMRHDZIKYMGBV-LLVKDONJSA-N 0 0 410.165 3.047 20 0 HGADRN COc1cc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc(Cl)c1OC ZINC000426723005 1126082724 /nfs/dbraw/zinc/08/27/24/1126082724.db2.gz JXMFLBMKJRNNGG-MRXNPFEDSA-N 0 0 421.877 3.304 20 0 HGADRN COc1ccc2nc(C[NH2+][C@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])sc2c1 ZINC000426725644 1126083144 /nfs/dbraw/zinc/08/31/44/1126083144.db2.gz CSEXKGNUFKRCQX-MRXNPFEDSA-N 0 0 414.483 3.252 20 0 HGADRN CCOc1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1OCC ZINC000426727750 1126083667 /nfs/dbraw/zinc/08/36/67/1126083667.db2.gz QDGCUWIOGVWWJJ-SFHVURJKSA-N 0 0 415.486 3.431 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cc(OC)c1 ZINC000426797326 1126091108 /nfs/dbraw/zinc/09/11/08/1126091108.db2.gz ASBOPVUSUFZDKS-GOSISDBHSA-N 0 0 421.877 3.304 20 0 HGADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000426770196 1126089547 /nfs/dbraw/zinc/08/95/47/1126089547.db2.gz PTWGQECZKSRLTJ-FQEVSTJZSA-N 0 0 406.438 3.175 20 0 HGADRN Cc1ccc(C[NH2+][C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])c(Br)c1 ZINC000426745058 1126086367 /nfs/dbraw/zinc/08/63/67/1126086367.db2.gz SSWMORIODXIEMW-SFHVURJKSA-N 0 0 415.291 3.124 20 0 HGADRN Cc1ccc(-c2ncc(C[NH2+][C@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])s2)o1 ZINC000426750253 1126087030 /nfs/dbraw/zinc/08/70/30/1126087030.db2.gz MFBOSRDHWGEDRV-LLVKDONJSA-N 0 0 400.382 3.170 20 0 HGADRN COc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc(OC)c1OC ZINC000426751135 1126087172 /nfs/dbraw/zinc/08/71/72/1126087172.db2.gz 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CS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3C(=O)c4ccccc4[C@H]3C2)cnc1Cl ZINC001164410227 718850279 /nfs/dbraw/zinc/85/02/79/718850279.db2.gz ZFCGNXSNFYVTHO-ZIAGYGMSSA-N 0 0 412.845 3.100 20 0 HGADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001164407223 718858035 /nfs/dbraw/zinc/85/80/35/718858035.db2.gz XZNKKNNPAYTXMJ-OLZOCXBDSA-N 0 0 407.804 3.239 20 0 HGADRN O=C(c1cccnc1N1C[C@H]2[C@H](CC2(F)F)C1)N1CCN(Cc2ccccc2)CC1 ZINC001164409273 718869660 /nfs/dbraw/zinc/86/96/60/718869660.db2.gz PBKILBVEESNVOC-QUCCMNQESA-N 0 0 412.484 3.131 20 0 HGADRN O=C(c1cccnc1N1CC[C@@H]2CCCO[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164422450 718899773 /nfs/dbraw/zinc/89/97/73/718899773.db2.gz VEUNXRDOLMDLLH-JTHBVZDNSA-N 0 0 420.557 3.045 20 0 HGADRN CCOC(=O)[C@]12C[C@H]1CCN2c1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC001164624112 719041425 /nfs/dbraw/zinc/04/14/25/719041425.db2.gz NZDMASFBNWILNO-VFNWGFHPSA-N 0 0 400.548 3.436 20 0 HGADRN Cc1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)nc(Cl)n1 ZINC001164645427 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C[Si](C)(C)c1ccc(C(F)(F)N2CCC3(CCCC(=O)N3)CC2)nc1Cl ZINC001164836897 720731824 /nfs/dbraw/zinc/73/18/24/720731824.db2.gz HZGUUJZKYZKJPD-UHFFFAOYSA-N 0 0 401.961 3.464 20 0 HGADRN CC[C@H]1N(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CCC[C@]12CCC(=O)N2 ZINC001164842518 720749010 /nfs/dbraw/zinc/74/90/10/720749010.db2.gz FTLYPASRLJJUTA-ACJLOTCBSA-N 0 0 413.900 3.303 20 0 HGADRN CC[C@@H]1N(C(F)(F)c2cnc(Cl)c(C(=O)OC)c2)CCC[C@]12CCC(=O)N2 ZINC001164843975 720749882 /nfs/dbraw/zinc/74/98/82/720749882.db2.gz NGUSJUUMBMIWBC-GUYCJALGSA-N 0 0 401.841 3.094 20 0 HGADRN CC[C@@H]1N(C(F)(F)c2ccc(C(=O)OC)c(Cl)n2)CCC[C@@]12CCC(=O)N2 ZINC001164845273 720750010 /nfs/dbraw/zinc/75/00/10/720750010.db2.gz YRATTZCEZPLAKS-SUMWQHHRSA-N 0 0 401.841 3.094 20 0 HGADRN CC[C@@H]1N(C(F)(F)c2cc(C(=O)OC)cnc2Cl)CCC[C@@]12CCC(=O)N2 ZINC001164850933 720754184 /nfs/dbraw/zinc/75/41/84/720754184.db2.gz YIARLHROIPQJHT-SUMWQHHRSA-N 0 0 401.841 3.094 20 0 HGADRN O=C1CC[C@H]2[C@@H](CCN2C(F)(F)COc2ccc(Cl)nn2)N1c1ccccc1 ZINC001164848210 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F[C@H](Oc1cncc(Cl)n1)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164801269 721604220 /nfs/dbraw/zinc/60/42/20/721604220.db2.gz PJFUIKPKUFXQOG-KXBFYZLASA-N 0 0 422.888 3.355 20 0 HGADRN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(F)(F)c2cccnc2Cl)C1 ZINC001164797589 721605942 /nfs/dbraw/zinc/60/59/42/721605942.db2.gz CBZICFFBPHIFDX-SFHVURJKSA-N 0 0 409.868 3.123 20 0 HGADRN Cc1cc(C(F)(F)N2CC[C@@]3(C2)COCc2c(C)nc(N(C)C)nc23)cc(Cl)n1 ZINC001164798431 721606012 /nfs/dbraw/zinc/60/60/12/721606012.db2.gz GPOJYRJVAOFVRN-LJQANCHMSA-N 0 0 423.895 3.431 20 0 HGADRN Cc1ccc(C(F)(F)N2CC[C@]3(C2)COCc2c(C)nc(N(C)C)nc23)nc1Cl ZINC001164808130 721606339 /nfs/dbraw/zinc/60/63/39/721606339.db2.gz XASWQMAGZQLSNQ-IBGZPJMESA-N 0 0 423.895 3.431 20 0 HGADRN Fc1ccc(Cl)nc1C(F)(F)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164807092 721607670 /nfs/dbraw/zinc/60/76/70/721607670.db2.gz VKFOKERKCMWHMO-CXAGYDPISA-N 0 0 416.831 3.070 20 0 HGADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c(F)cccc31)C2 ZINC001165010301 721702664 /nfs/dbraw/zinc/70/26/64/721702664.db2.gz HCEJVMKCFIIJFL-UHFFFAOYSA-N 0 0 403.893 3.264 20 0 HGADRN Cc1c(Cl)nc(CC(C)C)nc1N1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001165010334 721720181 /nfs/dbraw/zinc/72/01/81/721720181.db2.gz GHQWGMIDGHKSJG-UHFFFAOYSA-N 0 0 405.978 3.479 20 0 HGADRN CN(C)c1nc(Cl)cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164909359 721744077 /nfs/dbraw/zinc/74/40/77/721744077.db2.gz PJUSLHCICURVTC-UHFFFAOYSA-N 0 0 412.925 3.379 20 0 HGADRN COC(=O)c1cc(OC)cnc1N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001164908928 721750985 /nfs/dbraw/zinc/75/09/85/721750985.db2.gz OPPAUHGBZRQFKC-UHFFFAOYSA-N 0 0 422.485 3.060 20 0 HGADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1C[C@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001165015169 721764135 /nfs/dbraw/zinc/76/41/35/721764135.db2.gz NBSCBHXJPRLWTJ-IMJJTQAJSA-N 0 0 422.863 3.367 20 0 HGADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3c4c(nnc3Cl)CCC4)[C@@H]2C1 ZINC001165014932 721772133 /nfs/dbraw/zinc/77/21/33/721772133.db2.gz HJHDGUBTNGGRMF-SWLSCSKDSA-N 0 0 422.863 3.498 20 0 HGADRN FC(F)(c1cccnc1Cl)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC001165020180 721778727 /nfs/dbraw/zinc/77/87/27/721778727.db2.gz NFVLKULITMRYQI-ZACQAIPSSA-N 0 0 412.868 3.320 20 0 HGADRN Cc1nc(C(F)(F)N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)nc(Cl)c1C ZINC001165018076 721784419 /nfs/dbraw/zinc/78/44/19/721784419.db2.gz IEIYWFAKFZGALM-GOSISDBHSA-N 0 0 422.867 3.105 20 0 HGADRN COc1ccc(C(F)(F)N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)nc1Cl ZINC001165023718 721784562 /nfs/dbraw/zinc/78/45/62/721784562.db2.gz UELDEWCQEIKMSO-GOSISDBHSA-N 0 0 423.851 3.102 20 0 HGADRN O=C1[C@@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@@H]2CN1c1cccnc1 ZINC001165015667 721789203 /nfs/dbraw/zinc/78/92/03/721789203.db2.gz AMOJYAGNMRDBPV-IUODEOHRSA-N 0 0 415.831 3.322 20 0 HGADRN O=C1[C@@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@@H]2CN1c1cccnc1 ZINC001165015710 721789723 /nfs/dbraw/zinc/78/97/23/721789723.db2.gz BDXSDJLURGXASH-MLGOLLRUSA-N 0 0 415.831 3.322 20 0 HGADRN FC(F)(c1nccc(Cl)n1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164918131 721809171 /nfs/dbraw/zinc/80/91/71/721809171.db2.gz OWNVHBUDIYWAGU-YWPYICTPSA-N 0 0 416.881 3.332 20 0 HGADRN COCc1cc(N2CCC3(CC2)c2ncc(C)n2CCN3C)nc(-c2ccccc2)n1 ZINC001164915386 721812881 /nfs/dbraw/zinc/81/28/81/721812881.db2.gz ABXDGNNBWOYJKX-UHFFFAOYSA-N 0 0 418.545 3.236 20 0 HGADRN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164927372 721834702 /nfs/dbraw/zinc/83/47/02/721834702.db2.gz UNSGWYHKMAZEHS-RDTXWAMCSA-N 0 0 409.868 3.334 20 0 HGADRN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cccnc1Cl)C2 ZINC001164928137 721834772 /nfs/dbraw/zinc/83/47/72/721834772.db2.gz WLCCUGRGSYQJMZ-RDTXWAMCSA-N 0 0 409.868 3.334 20 0 HGADRN Cc1cc(C(F)(F)N2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)nc(Cl)n1 ZINC001164927591 721835577 /nfs/dbraw/zinc/83/55/77/721835577.db2.gz UVURQHVLEXPALF-RDTXWAMCSA-N 0 0 424.883 3.038 20 0 HGADRN Fc1ccc(C(F)(F)N2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)nc1Cl ZINC001164928723 721838228 /nfs/dbraw/zinc/83/82/28/721838228.db2.gz YFRZKUKTXOLZOG-SCLBCKFNSA-N 0 0 413.827 3.484 20 0 HGADRN FC(F)(Oc1cccnc1Cl)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164924031 721838451 /nfs/dbraw/zinc/83/84/51/721838451.db2.gz LYKWXFHFEXHQAI-KBXCAEBGSA-N 0 0 411.836 3.224 20 0 HGADRN Fc1cc(C(F)(F)N2C[C@H]3COC[C@]3(COCc3ccccn3)C2)cnc1Cl ZINC001164928189 721838828 /nfs/dbraw/zinc/83/88/28/721838828.db2.gz XCLOBWCZIHRXRX-KSSFIOAISA-N 0 0 413.827 3.484 20 0 HGADRN COc1cc(OC)nc(CN2CCN(c3cc(Cl)nc4cc(C)ccc43)CC2)n1 ZINC001165030590 721848736 /nfs/dbraw/zinc/84/87/36/721848736.db2.gz QJVBYALXJWEZDA-UHFFFAOYSA-N 0 0 413.909 3.326 20 0 HGADRN COc1cc(OC)nc(CN2CCN(c3ccc4ccc(Cl)c(C)c4n3)CC2)n1 ZINC001165029163 721849636 /nfs/dbraw/zinc/84/96/36/721849636.db2.gz GLEDPZVLXICVLN-UHFFFAOYSA-N 0 0 413.909 3.326 20 0 HGADRN C[C@@H]1C(=O)NCCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001165036143 721883606 /nfs/dbraw/zinc/88/36/06/721883606.db2.gz JVNORPWLUHPAPC-LSDHHAIUSA-N 0 0 413.591 3.127 20 0 HGADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3F)CC[C@@H]21)NC1CCC1 ZINC001164932843 721896171 /nfs/dbraw/zinc/89/61/71/721896171.db2.gz JCPKMGKGJDNCGI-RBOXIYTFSA-N 0 0 417.859 3.319 20 0 HGADRN Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NC2CCC2)C1 ZINC001164934349 721896233 /nfs/dbraw/zinc/89/62/33/721896233.db2.gz PJMHDTMJKKNXKL-UNEWFSDZSA-N 0 0 413.896 3.488 20 0 HGADRN Cn1ccc(CN2CCOCC23CCN(c2ccc4cccc(Cl)c4n2)CC3)n1 ZINC001164933785 721904392 /nfs/dbraw/zinc/90/43/92/721904392.db2.gz QUPDQWICOZLQTO-UHFFFAOYSA-N 0 0 411.937 3.493 20 0 HGADRN COc1ccc(Oc2nc(Cl)ncc2N2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC001165043109 721925161 /nfs/dbraw/zinc/92/51/61/721925161.db2.gz GRQLNSHLQZBJNB-KRWDZBQOSA-N 0 0 404.898 3.232 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cc(C)nc(Cl)c3)C[C@H]21 ZINC001164939786 721936029 /nfs/dbraw/zinc/93/60/29/721936029.db2.gz BCKHPCFKAQKTNB-SJORKVTESA-N 0 0 412.868 3.283 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3ccnc(Cl)c3F)C[C@@H]21 ZINC001164943499 721936276 /nfs/dbraw/zinc/93/62/76/721936276.db2.gz PFWSVFGFYXELIA-GJZGRUSLSA-N 0 0 416.831 3.113 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc4c(F)cccc43)C[C@@H]21 ZINC001164942642 721944030 /nfs/dbraw/zinc/94/40/30/721944030.db2.gz LOEWXYSPIBENIH-DLBZAZTESA-N 0 0 417.872 3.117 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc4c3CCCCC4)C[C@@H]21 ZINC001164946620 721944272 /nfs/dbraw/zinc/94/42/72/721944272.db2.gz WJJSSYQZQUDVFQ-RBUKOAKNSA-N 0 0 417.941 3.093 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ccc3F)C[C@@H]21 ZINC001164941507 721944746 /nfs/dbraw/zinc/94/47/46/721944746.db2.gz HRWYEOZFNAMCNT-GJZGRUSLSA-N 0 0 416.831 3.113 20 0 HGADRN CSc1nc2ccccc2c(N2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)n1 ZINC001164944759 721948360 /nfs/dbraw/zinc/94/83/60/721948360.db2.gz RXHQTNSISRZSSD-MOPGFXCFSA-N 0 0 411.531 3.046 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(C(C)(C)C)nc(Cl)c3C)C[C@@H]21 ZINC001164941750 721955759 /nfs/dbraw/zinc/95/57/59/721955759.db2.gz BWUKNTIBIBCICA-DLBZAZTESA-N 0 0 419.957 3.430 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4ccc(C(C)C)cc43)C[C@H]21 ZINC001164947791 721957045 /nfs/dbraw/zinc/95/70/45/721957045.db2.gz QOFVDUMAAHGCMG-FGZHOGPDSA-N 0 0 407.518 3.448 20 0 HGADRN CCc1nc(Cl)c(N2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)c(Cl)n1 ZINC001164951582 721958787 /nfs/dbraw/zinc/95/87/87/721958787.db2.gz ZULXLQBFAIUPPL-KGLIPLIRSA-N 0 0 412.321 3.040 20 0 HGADRN CC[C@H](C)c1nc2[nH]ccc2c(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)n1 ZINC001164949953 721964538 /nfs/dbraw/zinc/96/45/38/721964538.db2.gz ZMRRHWQHYXLDKF-AGRHKRQWSA-N 0 0 410.522 3.166 20 0 HGADRN O=C1NCCN(Cc2ccccc2)C12CCN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001164944146 721973786 /nfs/dbraw/zinc/97/37/86/721973786.db2.gz HCNTZXFFNVPEMT-IBGZPJMESA-N 0 0 402.901 3.170 20 0 HGADRN COC(=O)CCN(Cc1ccco1)C(F)(F)c1nc(-c2ccc(Cl)nc2)no1 ZINC001165047287 721982915 /nfs/dbraw/zinc/98/29/15/721982915.db2.gz LJGGWTKSLWZQIG-UHFFFAOYSA-N 0 0 412.780 3.493 20 0 HGADRN CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164949967 721984156 /nfs/dbraw/zinc/98/41/56/721984156.db2.gz RUZJKVAQTMRRCD-ZFWWWQNUSA-N 0 0 415.893 3.293 20 0 HGADRN CS(=O)(=O)N1C[C@H]2CCCN(C(F)(F)c3cccc4ccnc(Cl)c43)[C@@H]2C1 ZINC001164949964 721984260 /nfs/dbraw/zinc/98/42/60/721984260.db2.gz RUZJKVAQTMRRCD-UKRRQHHQSA-N 0 0 415.893 3.293 20 0 HGADRN COC[C@]12COC[C@H]1CN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164953917 721994796 /nfs/dbraw/zinc/99/47/96/721994796.db2.gz SNDGJFBLNBAZOZ-IIBYNOLFSA-N 0 0 402.564 3.003 20 0 HGADRN F[C@H](Oc1ccc(Cl)nc1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164948682 721997934 /nfs/dbraw/zinc/99/79/34/721997934.db2.gz AINMKYKJFKIFMX-IBGZPJMESA-N 0 0 403.845 3.443 20 0 HGADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1nccc(Cl)n1 ZINC001164962018 722028189 /nfs/dbraw/zinc/02/81/89/722028189.db2.gz OCXPTIVLFSZVMR-YRGRVCCFSA-N 0 0 400.788 3.024 20 0 HGADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)nc1 ZINC001164965147 722028209 /nfs/dbraw/zinc/02/82/09/722028209.db2.gz ZYGGTUJYYCROND-MGPQQGTHSA-N 0 0 400.788 3.024 20 0 HGADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cnnc(Cl)c1 ZINC001164958227 722029037 /nfs/dbraw/zinc/02/90/37/722029037.db2.gz OENHFINOECDVAC-GUTXKFCHSA-N 0 0 400.788 3.024 20 0 HGADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001164956437 722033078 /nfs/dbraw/zinc/03/30/78/722033078.db2.gz GQBMTCHZEIVSFS-QAPCUYQASA-N 0 0 408.836 3.088 20 0 HGADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C[C@H]3O2)n1 ZINC001164963139 722041322 /nfs/dbraw/zinc/04/13/22/722041322.db2.gz QVHARMXTZRWFDT-COPLHBTASA-N 0 0 409.824 3.289 20 0 HGADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001164959194 722047920 /nfs/dbraw/zinc/04/79/20/722047920.db2.gz PWVNGJPZSZCSJX-QWRGUYRKSA-N 0 0 417.243 3.358 20 0 HGADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@@H]21 ZINC001164956802 722048505 /nfs/dbraw/zinc/04/85/05/722048505.db2.gz CTQMMUOIDSUSIL-JQWIXIFHSA-N 0 0 407.808 3.100 20 0 HGADRN 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O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cccc(Br)c1 ZINC000426734608 1126084636 /nfs/dbraw/zinc/08/46/36/1126084636.db2.gz QIWIXJPEWVJOIA-MRXNPFEDSA-N 0 0 406.276 3.396 20 0 HGADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000426763049 1126089045 /nfs/dbraw/zinc/08/90/45/1126089045.db2.gz PLIKIJLUYHTFNP-JTQLQIEISA-N 0 0 413.730 3.400 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2cccc(Br)c2OC)C(=O)[O-])cc(OC)c1 ZINC000426783614 1126090298 /nfs/dbraw/zinc/09/02/98/1126090298.db2.gz MRYHDQXGJPSXQK-QGZVFWFLSA-N 0 0 424.291 3.260 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2ccc(F)cc2Br)C(=O)[O-])cc(OC)c1 ZINC000426795909 1126091163 /nfs/dbraw/zinc/09/11/63/1126091163.db2.gz ZNBWGOYJYZEDLF-QGZVFWFLSA-N 0 0 412.255 3.391 20 0 HGADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000426747851 1126086531 /nfs/dbraw/zinc/08/65/31/1126086531.db2.gz SHNSUBBXWNWHNF-LLVKDONJSA-N 0 0 410.165 3.047 20 0 HGADRN Cc1ccc(C[NH2+][C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])cc1Br ZINC000426750187 1126086924 /nfs/dbraw/zinc/08/69/24/1126086924.db2.gz LSNSWBUHOQNDEZ-GOSISDBHSA-N 0 0 415.291 3.124 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2cc(Br)ccc2OC)C(=O)[O-])cc(OC)c1 ZINC000426807152 1126091497 /nfs/dbraw/zinc/09/14/97/1126091497.db2.gz GGNNOGGBUGPHOX-QGZVFWFLSA-N 0 0 424.291 3.260 20 0 HGADRN COc1cc(C[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C(=O)[O-])cc(OC)c1 ZINC000426812729 1126092115 /nfs/dbraw/zinc/09/21/15/1126092115.db2.gz RRPARPQUZOICRJ-FQEVSTJZSA-N 0 0 415.877 3.328 20 0 HGADRN COc1cc(C[C@H]([NH2+]Cc2ccc(Br)cc2F)C(=O)[O-])cc(OC)c1 ZINC000426812662 1126092202 /nfs/dbraw/zinc/09/22/02/1126092202.db2.gz RJLRWGKEZDLSCU-KRWDZBQOSA-N 0 0 412.255 3.391 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2cc(Br)cs2)C(=O)[O-])cc(OC)c1 ZINC000426819202 1126092538 /nfs/dbraw/zinc/09/25/38/1126092538.db2.gz UYUVSBLBMKYNRY-OAHLLOKOSA-N 0 0 400.294 3.313 20 0 HGADRN OCC1(NCc2nc(-c3cc(Br)cs3)no2)Cc2ccccc2C1 ZINC000510248350 1126095454 /nfs/dbraw/zinc/09/54/54/1126095454.db2.gz HTAWYQMWVFDOLI-UHFFFAOYSA-N 0 0 406.305 3.180 20 0 HGADRN OCC1(NCc2nnc(-c3ccc(Br)s3)o2)Cc2ccccc2C1 ZINC000735493003 1126106802 /nfs/dbraw/zinc/10/68/02/1126106802.db2.gz NFOQXSLGDWCYDF-UHFFFAOYSA-N 0 0 406.305 3.180 20 0 HGADRN COc1cccc(C[C@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C(=O)[O-])c1 ZINC000756337086 1126107348 /nfs/dbraw/zinc/10/73/48/1126107348.db2.gz ZXUWTHWDXHMGST-KRWDZBQOSA-N 0 0 401.463 3.223 20 0 HGADRN COc1cccc2c1CC[C@]2(CO)NCc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC001179447673 1126152224 /nfs/dbraw/zinc/15/22/24/1126152224.db2.gz NYOLOMIGVYYVCK-HXUWFJFHSA-N 0 0 405.520 3.422 20 0 HGADRN COc1ccc(C[C@@](C)(CO)NCc2noc(-c3ccc(F)cc3F)n2)cc1OC ZINC001198229810 1126155540 /nfs/dbraw/zinc/15/55/40/1126155540.db2.gz MQGNMFPWLNMMNE-NRFANRHFSA-N 0 0 419.428 3.115 20 0 HGADRN C[C@](CO)(Cc1ccc(Br)cc1)NCc1n[nH]cc1Br ZINC001206855622 1126159620 /nfs/dbraw/zinc/15/96/20/1126159620.db2.gz IGXIZJTYHYGLOA-CQSZACIVSA-N 0 0 403.118 3.018 20 0 HGADRN C[C@@](CO)(Cc1ccccc1F)NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460872256 1126193508 /nfs/dbraw/zinc/19/35/08/1126193508.db2.gz UZPONSWRMWRBST-FQEVSTJZSA-N 0 0 400.479 3.013 20 0 HGADRN COc1ccc(C[C@](C)(CO)NCc2nc3ccccn3c2Br)cc1 ZINC001474697696 1126204965 /nfs/dbraw/zinc/20/49/65/1126204965.db2.gz CDEQBNOGYUTYRH-LJQANCHMSA-N 0 0 404.308 3.189 20 0 HGADRN Cn1c2nnc(CN3CCC(CCc4ccc(O)cc4)CC3)n2c2ccccc2c1=O ZINC000032906845 527127330 /nfs/dbraw/zinc/12/73/30/527127330.db2.gz FTGHHLNIHUXGTQ-UHFFFAOYSA-N 0 0 417.513 3.132 20 0 HGADRN Cc1ccsc1CNC(=O)CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000504333918 568875984 /nfs/dbraw/zinc/87/59/84/568875984.db2.gz DIELUORRWYWMPK-INIZCTEOSA-N 0 0 404.536 3.177 20 0 HGADRN CS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)cnc1Cl ZINC001164410224 718849906 /nfs/dbraw/zinc/84/99/06/718849906.db2.gz ZFCGNXSNFYVTHO-KBPBESRZSA-N 0 0 412.845 3.100 20 0 HGADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)nc1Cl ZINC001164405601 718855367 /nfs/dbraw/zinc/85/53/67/718855367.db2.gz LVTVUMHAAYEZDR-OLZOCXBDSA-N 0 0 422.819 3.024 20 0 HGADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2C(=O)Nc3ccccc3[C@@H]2C1 ZINC001164405838 718856571 /nfs/dbraw/zinc/85/65/71/718856571.db2.gz MTHLOIHRYKMUSJ-RYUDHWBXSA-N 0 0 407.804 3.239 20 0 HGADRN COC(=O)c1cc(C(F)(F)N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)cnc1Cl ZINC001164406878 718856606 /nfs/dbraw/zinc/85/66/06/718856606.db2.gz OXKSFTAVNCVWRE-KGLIPLIRSA-N 0 0 407.804 3.239 20 0 HGADRN O=C1Nc2ccccc2[C@@H]2CN([C@](F)(COc3cncc(Cl)n3)C(F)F)C[C@@H]12 ZINC001164405467 718858632 /nfs/dbraw/zinc/85/86/32/718858632.db2.gz SGWUVOCXVSAQNJ-VNBZBWLYSA-N 0 0 412.799 3.107 20 0 HGADRN O=C(c1cccnc1N1C[C@H]2CC(F)(F)[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164409277 718870114 /nfs/dbraw/zinc/87/01/14/718870114.db2.gz PBKILBVEESNVOC-UYAOXDASSA-N 0 0 412.484 3.131 20 0 HGADRN FC1(F)C[C@@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164408899 718870799 /nfs/dbraw/zinc/87/07/99/718870799.db2.gz NXIYPZNVBZKGQD-TZMCWYRMSA-N 0 0 406.502 3.104 20 0 HGADRN 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HGADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1ccnc(Cl)n1)CC2 ZINC001164664229 719359292 /nfs/dbraw/zinc/35/92/92/719359292.db2.gz MLXFIPUUGHKGPM-UHFFFAOYSA-N 0 0 415.897 3.219 20 0 HGADRN CN(C[C@H](O)CO)C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164669566 719367102 /nfs/dbraw/zinc/36/71/02/719367102.db2.gz RDQQGHAWAKVWAO-VIFPVBQESA-N 0 0 411.758 3.150 20 0 HGADRN CN1CCO[C@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C[C@H]21 ZINC001164666102 719459972 /nfs/dbraw/zinc/45/99/72/719459972.db2.gz BQWAOHZEHFTDQC-MSOLQXFVSA-N 0 0 409.864 3.378 20 0 HGADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H]4OCCN(C)[C@@H]4C3)cnc2Cl)c1 ZINC001164668918 719489455 /nfs/dbraw/zinc/48/94/55/719489455.db2.gz RQKYSHARZMIPIM-QZTJIDSGSA-N 0 0 409.864 3.475 20 0 HGADRN Fc1ccc(CN2CCOCC23CCN(c2ncnc4cnc(F)cc42)CC3)cc1 ZINC001164673185 719500203 /nfs/dbraw/zinc/50/02/03/719500203.db2.gz PILMEQNKUQWQEI-UHFFFAOYSA-N 0 0 411.456 3.174 20 0 HGADRN COc1c(Cl)nc(C)nc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164671104 719508294 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Cn1nnc2c1[C@H](COCc1cccnc1)CN(C(F)(F)c1cccnc1Cl)C2 ZINC001164696894 719834494 /nfs/dbraw/zinc/83/44/94/719834494.db2.gz VSQCLTSAJCVSDL-AWEZNQCLSA-N 0 0 420.851 3.124 20 0 HGADRN O=C1COC2(CCN([C@@H](F)Oc3cccc(Cl)n3)CC2)CN1c1ccccc1 ZINC001164694541 719836371 /nfs/dbraw/zinc/83/63/71/719836371.db2.gz GDLKTODFCFQPGK-LJQANCHMSA-N 0 0 405.857 3.265 20 0 HGADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)cc2cc(F)ccc21 ZINC001164705779 719837804 /nfs/dbraw/zinc/83/78/04/719837804.db2.gz VOKYWGZPQHIUHD-KKSFZXQISA-N 0 0 421.900 3.260 20 0 HGADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2sc(C(C)C)cc21 ZINC001164707036 719838329 /nfs/dbraw/zinc/83/83/29/719838329.db2.gz YXCYYGQGOVUGOL-YCRPNKLZSA-N 0 0 418.563 3.047 20 0 HGADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(C)c2ccc(Cl)cc2n1 ZINC001164701534 719860590 /nfs/dbraw/zinc/86/05/90/719860590.db2.gz LBGHDNVKUGGYGN-VGSWGCGISA-N 0 0 417.937 3.429 20 0 HGADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@H](OCC)[C@@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164714268 720062649 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ZINC001164732031 720444654 /nfs/dbraw/zinc/44/46/54/720444654.db2.gz MVNWVROQKWLVLH-IAGOWNOFSA-N 0 0 405.880 3.412 20 0 HGADRN O[C@@H]1CCN(c2ncnc3c2CN(Cc2ccccc2)CC3)[C@H]1Cc1ccccc1 ZINC001164835651 720486171 /nfs/dbraw/zinc/48/61/71/720486171.db2.gz ZKBLOSKPLCTUPM-BJKOFHAPSA-N 0 0 400.526 3.217 20 0 HGADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cccnc1Cl)C2 ZINC001164729003 720497623 /nfs/dbraw/zinc/49/76/23/720497623.db2.gz QJHQNOXSTFVYSB-CRAIPNDOSA-N 0 0 408.836 3.299 20 0 HGADRN F[C@H](Oc1cncc(Cl)n1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734335 720541568 /nfs/dbraw/zinc/54/15/68/720541568.db2.gz HYZSGRKOHTZJPO-JVPBZIDWSA-N 0 0 408.861 3.107 20 0 HGADRN Clc1cnc(Cl)c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1Cl ZINC001164736832 720706678 /nfs/dbraw/zinc/70/66/78/720706678.db2.gz BKZRKMSQUFPIIC-WDEREUQCSA-N 0 0 400.697 3.174 20 0 HGADRN CC[C@@H]1N(C(F)(F)c2cc(C(=O)OC)cc(Cl)n2)CCC[C@@]12CCC(=O)N2 ZINC001164846112 720751742 /nfs/dbraw/zinc/75/17/42/720751742.db2.gz HLMGDHCULKWSFT-SUMWQHHRSA-N 0 0 401.841 3.094 20 0 HGADRN O=C1CC[C@H]2[C@H](CCN2C(F)(F)COc2cncc(Cl)n2)N1c1ccccc1 ZINC001164848911 720767311 /nfs/dbraw/zinc/76/73/11/720767311.db2.gz QXABVXBSTZYSQB-GJZGRUSLSA-N 0 0 408.836 3.372 20 0 HGADRN FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164848273 720769249 /nfs/dbraw/zinc/76/92/49/720769249.db2.gz PDFCFQBXMMOHRD-XHSDSOJGSA-N 0 0 410.852 3.413 20 0 HGADRN COC[C@@]12CCC[C@H]1CN(C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1)C2 ZINC001164844057 720786205 /nfs/dbraw/zinc/78/62/05/720786205.db2.gz ALCXBXVSUIOCGQ-UGSOOPFHSA-N 0 0 415.868 3.495 20 0 HGADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3CCC[C@]3(COC)C2)cnc1Cl ZINC001164847242 720796812 /nfs/dbraw/zinc/79/68/12/720796812.db2.gz MHNSVDYEQJSGCP-MLGOLLRUSA-N 0 0 408.898 3.326 20 0 HGADRN O=C(N[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)[C@H]2COC[C@@H]21)C1CCC1 ZINC001164850185 720799123 /nfs/dbraw/zinc/79/91/23/720799123.db2.gz UJQVKSWGABWPNZ-RTXFEEFZSA-N 0 0 406.260 3.053 20 0 HGADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164751143 720806437 /nfs/dbraw/zinc/80/64/37/720806437.db2.gz WZNBKRUNMLKMQB-CVEARBPZSA-N 0 0 421.879 3.289 20 0 HGADRN Cc1cccc(CN2CC[C@]3(CCN([C@@H](F)Oc4ccc(Cl)nn4)C3)C2=O)c1 ZINC001164849948 720809097 /nfs/dbraw/zinc/80/90/97/720809097.db2.gz HOFKGGNXVMFCLX-WOJBJXKFSA-N 0 0 404.873 3.195 20 0 HGADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164848101 720809411 /nfs/dbraw/zinc/80/94/11/720809411.db2.gz CGNCODLPZQYQPG-GXTWGEPZSA-N 0 0 413.255 3.423 20 0 HGADRN O=C1[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164849391 720809479 /nfs/dbraw/zinc/80/94/79/720809479.db2.gz GPBCIRVOGIHQLO-JSGCOSHPSA-N 0 0 413.255 3.423 20 0 HGADRN O=C1[C@@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@@H]2CN1Cc1ccncc1 ZINC001164852625 720813947 /nfs/dbraw/zinc/81/39/47/720813947.db2.gz OACKQUUQZLWPSD-DOTOQJQBSA-N 0 0 418.875 3.345 20 0 HGADRN O=C([C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)Sc2ccc(Cl)nc2)O1)N1CCCO1 ZINC001164846766 720822852 /nfs/dbraw/zinc/82/28/52/720822852.db2.gz GGJWYVFRDZYOJG-MCIONIFRSA-N 0 0 419.881 3.163 20 0 HGADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)C2 ZINC001164847304 720825624 /nfs/dbraw/zinc/82/56/24/720825624.db2.gz IYBMTNXXFXREAG-GUYCJALGSA-N 0 0 404.841 3.088 20 0 HGADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001164846632 720829191 /nfs/dbraw/zinc/82/91/91/720829191.db2.gz FYLZPYKNKYYTHD-YOEHRIQHSA-N 0 0 419.856 3.394 20 0 HGADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCOC[C@@H]1c1csc(C)n1 ZINC001164753082 720863887 /nfs/dbraw/zinc/86/38/87/720863887.db2.gz WHMYAZARFAALGK-CYBMUJFWSA-N 0 0 403.838 3.409 20 0 HGADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCOC[C@H]1c1csc(C)n1 ZINC001164753083 720864058 /nfs/dbraw/zinc/86/40/58/720864058.db2.gz WHMYAZARFAALGK-ZDUSSCGKSA-N 0 0 403.838 3.409 20 0 HGADRN Cc1nc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(S(C)(=O)=O)c2)cs1 ZINC001164754829 720865739 /nfs/dbraw/zinc/86/57/39/720865739.db2.gz SYNQNSYIVDONSE-GFCCVEGCSA-N 0 0 423.894 3.026 20 0 HGADRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)nc3)C2)C1)c1ccccc1 ZINC001164860152 720897763 /nfs/dbraw/zinc/89/77/63/720897763.db2.gz SWCBURGHWMVNJW-APWZRJJASA-N 0 0 422.863 3.233 20 0 HGADRN O=C(N[C@H]1CCO[C@]2(CCN(C(F)(F)c3ccc(Cl)nn3)C2)C1)c1ccccc1 ZINC001164860872 720898343 /nfs/dbraw/zinc/89/83/43/720898343.db2.gz VLFPVITTXXTANH-HNAYVOBHSA-N 0 0 422.863 3.233 20 0 HGADRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3nccnc3Cl)C2)C1)c1ccccc1 ZINC001164859762 720899809 /nfs/dbraw/zinc/89/98/09/720899809.db2.gz PWKHFGSLMNDLMU-DNVCBOLYSA-N 0 0 422.863 3.233 20 0 HGADRN COc1ccc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)c(Cl)n1 ZINC001164761798 721005489 /nfs/dbraw/zinc/00/54/89/721005489.db2.gz UELOKFMLMNNMQV-IMJJTQAJSA-N 0 0 411.836 3.104 20 0 HGADRN Cc1nc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@H]32)nc(Cl)c1C ZINC001164761307 721007068 /nfs/dbraw/zinc/00/70/68/721007068.db2.gz SRYBGALOIYNJDQ-OAGGEKHMSA-N 0 0 410.852 3.107 20 0 HGADRN Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)cnc2Cl)cn1 ZINC001164762345 721033770 /nfs/dbraw/zinc/03/37/70/721033770.db2.gz IHBTUMASRZAASM-KBPBESRZSA-N 0 0 416.259 3.160 20 0 HGADRN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cc2Cl)cn1 ZINC001164766481 721033880 /nfs/dbraw/zinc/03/38/80/721033880.db2.gz QUGYMRGJYDASOI-UONOGXRCSA-N 0 0 416.259 3.160 20 0 HGADRN Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3C(F)(F)C2(c3ccnc(Cl)c3)CC2)cn1 ZINC001164760245 721039741 /nfs/dbraw/zinc/03/97/41/721039741.db2.gz BYCGPENRHFCTHL-CVEARBPZSA-N 0 0 421.879 3.082 20 0 HGADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(C)cc(Cl)n2)n1 ZINC001164771206 721050034 /nfs/dbraw/zinc/05/00/34/721050034.db2.gz LXDZRIPWJGAIRA-LSDHHAIUSA-N 0 0 407.852 3.067 20 0 HGADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cc(C)nc(Cl)n2)n1 ZINC001164774545 721052198 /nfs/dbraw/zinc/05/21/98/721052198.db2.gz VZOVJCKVHQXDQK-GJZGRUSLSA-N 0 0 407.852 3.067 20 0 HGADRN CCc1nc(Cl)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164871565 721159503 /nfs/dbraw/zinc/15/95/03/721159503.db2.gz FLJULTQRZVKRRL-CABCVRRESA-N 0 0 408.333 3.221 20 0 HGADRN Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)CN(c2ccccn2)CCO3)n1 ZINC001164872883 721217056 /nfs/dbraw/zinc/21/70/56/721217056.db2.gz OUGIVLHXWSEPDS-UHFFFAOYSA-N 0 0 409.868 3.254 20 0 HGADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164871216 721238654 /nfs/dbraw/zinc/23/86/54/721238654.db2.gz FNQWOHYAUZWLBJ-UHFFFAOYSA-N 0 0 419.863 3.328 20 0 HGADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1nc(Cl)nc2[nH]cnc21 ZINC001164872596 721243015 /nfs/dbraw/zinc/24/30/15/721243015.db2.gz MZGPOBJQYDTXQT-JTQLQIEISA-N 0 0 423.855 3.207 20 0 HGADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001164763089 721263051 /nfs/dbraw/zinc/26/30/51/721263051.db2.gz BOVBVSYDMCCEHD-SJORKVTESA-N 0 0 417.847 3.317 20 0 HGADRN Cc1nc(Cl)cc(C(F)(F)N2Cc3cncn3C[C@H](COc3cccnc3)C2)n1 ZINC001164767740 721272047 /nfs/dbraw/zinc/27/20/47/721272047.db2.gz SMBZRSPQRFHAJR-AWEZNQCLSA-N 0 0 420.851 3.290 20 0 HGADRN Nc1cc(Cl)nc(C(F)(F)N2Cc3cncn3C[C@H](COc3cccnc3)C2)c1 ZINC001164768979 721274660 /nfs/dbraw/zinc/27/46/60/721274660.db2.gz MSLOTRUTRHEMAY-ZDUSSCGKSA-N 0 0 420.851 3.169 20 0 HGADRN Cc1cccc(N2CCC[C@]3(C2)CN([C@@H](F)Oc2ccc(Cl)nn2)CCO3)c1 ZINC001164774887 721305713 /nfs/dbraw/zinc/30/57/13/721305713.db2.gz KJIUHSBWPWBSAX-UXHICEINSA-N 0 0 406.889 3.442 20 0 HGADRN Cc1cccc(N2CCC[C@@]3(C2)CN([C@H](F)Oc2cncc(Cl)n2)CCO3)c1 ZINC001164775089 721305735 /nfs/dbraw/zinc/30/57/35/721305735.db2.gz OXCQEWGHHYBWEC-VQTJNVASSA-N 0 0 406.889 3.442 20 0 HGADRN CN(C)c1cc(Cl)nc(C(F)(F)N2CCC3(CCC(=O)N3CC3CC3)CC2)n1 ZINC001164774489 721306146 /nfs/dbraw/zinc/30/61/46/721306146.db2.gz DBOPBIBYHYAAHM-UHFFFAOYSA-N 0 0 413.900 3.112 20 0 HGADRN O=S(=O)(c1ccccc1)N1C[C@H]2CN(C(F)(F)c3cccnc3Cl)C[C@@H]2C1 ZINC001164876844 721306251 /nfs/dbraw/zinc/30/62/51/721306251.db2.gz GNOQIRRJWCRENM-ZIAGYGMSSA-N 0 0 413.877 3.037 20 0 HGADRN Cc1ccc(N2CCO[C@H]3CN(C(F)(F)Sc4ccc(Cl)nc4)C[C@@H]32)nn1 ZINC001164775284 721313835 /nfs/dbraw/zinc/31/38/35/721313835.db2.gz BZMHKKINNDGHAN-KBPBESRZSA-N 0 0 413.881 3.065 20 0 HGADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164877268 721319336 /nfs/dbraw/zinc/31/93/36/721319336.db2.gz KUTTWGYKJUFXGW-INIZCTEOSA-N 0 0 407.848 3.019 20 0 HGADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1cnnc(Cl)c1)CC2 ZINC001164778591 721326304 /nfs/dbraw/zinc/32/63/04/721326304.db2.gz XPFYJONBZQPBTJ-CYBMUJFWSA-N 0 0 414.815 3.416 20 0 HGADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001164873249 721328643 /nfs/dbraw/zinc/32/86/43/721328643.db2.gz AQLIXYBABXESEI-UHFFFAOYSA-N 0 0 413.881 3.264 20 0 HGADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1cnnc(Cl)c1)CC2 ZINC001164876905 721328649 /nfs/dbraw/zinc/32/86/49/721328649.db2.gz RWHVVNYCZFJNII-UHFFFAOYSA-N 0 0 413.881 3.264 20 0 HGADRN O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc(Cl)nc1Cl)C2 ZINC001164883069 721340054 /nfs/dbraw/zinc/34/00/54/721340054.db2.gz JFRHIJZWFLGHGI-SUMWQHHRSA-N 0 0 420.287 3.445 20 0 HGADRN O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)cc1Cl)C2 ZINC001164888525 721340724 /nfs/dbraw/zinc/34/07/24/721340724.db2.gz XEDCWWGEORHPTR-RHSMWYFYSA-N 0 0 420.287 3.445 20 0 HGADRN O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(C(F)(F)Sc1ccc(Cl)nc1)C2 ZINC001164889318 721345703 /nfs/dbraw/zinc/34/57/03/721345703.db2.gz YZBXCBFUGZRLMJ-PBHICJAKSA-N 0 0 417.909 3.385 20 0 HGADRN COc1ccc(Cl)c(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164776724 721351123 /nfs/dbraw/zinc/35/11/23/721351123.db2.gz CEMLPIOFVNTVHN-NRFANRHFSA-N 0 0 420.941 3.467 20 0 HGADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(C)c(Cl)c(C)n3)C2)C1 ZINC001164786070 721355641 /nfs/dbraw/zinc/35/56/41/721355641.db2.gz VQKKZTUGHYYXBB-OAQYLSRUSA-N 0 0 419.957 3.471 20 0 HGADRN COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1 ZINC001164881380 721359913 /nfs/dbraw/zinc/35/99/13/721359913.db2.gz CAVROAIZBSCTMH-NEPJUHHUSA-N 0 0 400.838 3.129 20 0 HGADRN Cn1cc(N2C[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C3)CC2=O)cn1 ZINC001164889382 721370008 /nfs/dbraw/zinc/37/00/08/721370008.db2.gz ZALHVYMZTFDJJR-INIZCTEOSA-N 0 0 416.259 3.300 20 0 HGADRN Cn1cc(N2C[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)CC2=O)cn1 ZINC001164888727 721370476 /nfs/dbraw/zinc/37/04/76/721370476.db2.gz WAKPEKZTPSRMST-MRXNPFEDSA-N 0 0 416.259 3.300 20 0 HGADRN Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(CCCCN2S(C)(=O)=O)C1 ZINC001164886837 721375823 /nfs/dbraw/zinc/37/58/23/721375823.db2.gz OGLMCSHZWATUDV-MRXNPFEDSA-N 0 0 407.914 3.373 20 0 HGADRN COc1ccc(C(F)(F)N2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)nc1Cl ZINC001164884099 721375975 /nfs/dbraw/zinc/37/59/75/721375975.db2.gz BWSQEQHFCSPSTH-INIZCTEOSA-N 0 0 423.913 3.073 20 0 HGADRN CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164783953 721413947 /nfs/dbraw/zinc/41/39/47/721413947.db2.gz JKKLLHUTPKXMQM-OKILXGFUSA-N 0 0 406.939 3.245 20 0 HGADRN FC(F)(COc1cccc(Cl)n1)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164785011 721417215 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CCOC[C@H]1CN(C(F)(F)c2cc(Cl)nc(SC)n2)Cc2cnn(C)c21 ZINC001164793050 721476400 /nfs/dbraw/zinc/47/64/00/721476400.db2.gz RAMGHRHGZHDVFO-LLVKDONJSA-N 0 0 403.886 3.271 20 0 HGADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164793423 721486427 /nfs/dbraw/zinc/48/64/27/721486427.db2.gz SEMNSMSOCAGCFQ-APPDUMDISA-N 0 0 417.790 3.485 20 0 HGADRN Cc1cc(C(F)(F)N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)c(Cl)nn1 ZINC001164793367 721487737 /nfs/dbraw/zinc/48/77/37/721487737.db2.gz QVHUQYSKHLVPQV-SJKOYZFVSA-N 0 0 414.815 3.049 20 0 HGADRN Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)n1 ZINC001164899221 721503041 /nfs/dbraw/zinc/50/30/41/721503041.db2.gz XHPXMQWZWPPRLP-CQSZACIVSA-N 0 0 407.852 3.021 20 0 HGADRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)CC2 ZINC001164911438 721569847 /nfs/dbraw/zinc/56/98/47/721569847.db2.gz ZEKGCWDWKIZESZ-AWEZNQCLSA-N 0 0 410.852 3.403 20 0 HGADRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164904537 721571612 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WKFSWGKDRIETRG-LJQANCHMSA-N 0 0 423.895 3.431 20 0 HGADRN Cc1ccc(C(F)(F)N2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1Cl ZINC001164801233 721607642 /nfs/dbraw/zinc/60/76/42/721607642.db2.gz GIFUDNYSOANHDO-YJBOKZPZSA-N 0 0 412.868 3.239 20 0 HGADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001165011667 721699320 /nfs/dbraw/zinc/69/93/20/721699320.db2.gz UVRFXKQXIDUVJJ-UHFFFAOYSA-N 0 0 420.295 3.170 20 0 HGADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nccc(Oc3ccc(F)cc3)n1)C2 ZINC001165008935 721716900 /nfs/dbraw/zinc/71/69/00/721716900.db2.gz LTOHBRHIYLPJRP-UHFFFAOYSA-N 0 0 411.485 3.250 20 0 HGADRN CC(C)c1noc(-c2ccnc(N3CCCn4c(CN(C)C(C)C)nnc4C3)c2)n1 ZINC001165011827 721717978 /nfs/dbraw/zinc/71/79/78/721717978.db2.gz WAZBUVQHDMJCTL-UHFFFAOYSA-N 0 0 410.526 3.097 20 0 HGADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001165008822 721725401 /nfs/dbraw/zinc/72/54/01/721725401.db2.gz RTCQERASFCSGKA-SFHVURJKSA-N 0 0 415.868 3.294 20 0 HGADRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001165007613 721726012 /nfs/dbraw/zinc/72/60/12/721726012.db2.gz FPAQOWIXFULPSR-SFHVURJKSA-N 0 0 409.868 3.450 20 0 HGADRN CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2cnc(Cl)cc2Cl)CC1 ZINC001165007407 721731094 /nfs/dbraw/zinc/73/10/94/721731094.db2.gz CKUQGFKGPLQXPP-UHFFFAOYSA-N 0 0 421.319 3.456 20 0 HGADRN CCOC(=O)c1ccc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc1 ZINC001164910059 721744700 /nfs/dbraw/zinc/74/47/00/721744700.db2.gz ZYLXGZDRFIAVSX-UHFFFAOYSA-N 0 0 406.486 3.441 20 0 HGADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncc(Cl)cc1C(N)=O)C2 ZINC001164908890 721746864 /nfs/dbraw/zinc/74/68/64/721746864.db2.gz NRGAGYGGPUVVLX-UHFFFAOYSA-N 0 0 411.893 3.017 20 0 HGADRN CCOC(=O)c1cnc(C)nc1N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001164910028 721751402 /nfs/dbraw/zinc/75/14/02/721751402.db2.gz YOUBPQFIEILDIC-UHFFFAOYSA-N 0 0 421.501 3.144 20 0 HGADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1ncn3C1CC1)C2 ZINC001164909483 721762089 /nfs/dbraw/zinc/76/20/89/721762089.db2.gz 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COC(=O)c1ccc(C(F)(F)N2CCc3ncnc(C4CC4)c3CC2)nc1Cl ZINC001164915064 721803737 /nfs/dbraw/zinc/80/37/37/721803737.db2.gz HPJHGKRFYLDFEU-UHFFFAOYSA-N 0 0 408.836 3.339 20 0 HGADRN FC(F)(c1cnc(Cl)cn1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164918123 721809049 /nfs/dbraw/zinc/80/90/49/721809049.db2.gz OTNAESLNJUVPCB-MQIPJXDCSA-N 0 0 416.881 3.332 20 0 HGADRN COc1ccccc1-c1ccc(N2CCC3(CC2)c2ncc(C)n2CCN3C)nn1 ZINC001164918289 721819346 /nfs/dbraw/zinc/81/93/46/721819346.db2.gz LZJVRHPOYGTNRH-UHFFFAOYSA-N 0 0 404.518 3.098 20 0 HGADRN COc1cccc(-c2ccc(N3CCC4(CC3)c3ncc(C)n3CCN4C)nn2)c1 ZINC001164917878 721819439 /nfs/dbraw/zinc/81/94/39/721819439.db2.gz KFNUTZZHDWZSHD-UHFFFAOYSA-N 0 0 404.518 3.098 20 0 HGADRN Cc1nc(CN2CCOC[C@]3(CN(c4ccc5cccc(C)c5n4)CCO3)C2)cs1 ZINC001164919948 721822508 /nfs/dbraw/zinc/82/25/08/721822508.db2.gz ZGFUORLRZCQNKZ-HSZRJFAPSA-N 0 0 424.570 3.416 20 0 HGADRN Cc1nc(CN2CCOC[C@]3(CN(c4nc5ccccc5cc4C)CCO3)C2)cs1 ZINC001164924011 721825308 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0 412.321 3.040 20 0 HGADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cnc(Cl)cn3)C[C@H]12 ZINC001164949376 721965274 /nfs/dbraw/zinc/96/52/74/721965274.db2.gz XLPWZLWGOMYHIY-HKUYNNGSSA-N 0 0 406.864 3.444 20 0 HGADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cnc(Cl)nc3)C[C@@H]12 ZINC001164949450 721965475 /nfs/dbraw/zinc/96/54/75/721965475.db2.gz XZDKZDFSVUZDOG-MJGOQNOKSA-N 0 0 406.864 3.444 20 0 HGADRN O=C1NCCN(Cc2ccccc2)C12CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164942148 721969383 /nfs/dbraw/zinc/96/93/83/721969383.db2.gz BASALOHSWQXYDG-UHFFFAOYSA-N 0 0 420.891 3.251 20 0 HGADRN CSc1cc(Cl)ncc1N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164943631 721972884 /nfs/dbraw/zinc/97/28/84/721972884.db2.gz AMZMGCQYIKRZSR-UHFFFAOYSA-N 0 0 416.978 3.428 20 0 HGADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164948422 721975917 /nfs/dbraw/zinc/97/59/17/721975917.db2.gz YZNFSCGCQVGZJW-UHFFFAOYSA-N 0 0 421.932 3.254 20 0 HGADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164951058 721980892 /nfs/dbraw/zinc/98/08/92/721980892.db2.gz XHCQKYYVEAXLDW-UHFFFAOYSA-N 0 0 420.557 3.122 20 0 HGADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3COC[C@@]3(COC)C2)n1 ZINC001164952352 721994782 /nfs/dbraw/zinc/99/47/82/721994782.db2.gz OQQWPVNMVCXDJW-KKSFZXQISA-N 0 0 404.580 3.249 20 0 HGADRN FC(F)(c1cnc(Cl)cn1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164953796 721997252 /nfs/dbraw/zinc/99/72/52/721997252.db2.gz ZICAIQFGVWDUKJ-UHFFFAOYSA-N 0 0 406.824 3.256 20 0 HGADRN FC(F)(c1ccc(Cl)nn1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164949714 721997695 /nfs/dbraw/zinc/99/76/95/721997695.db2.gz FTSNHIPXEDBTSI-UHFFFAOYSA-N 0 0 406.824 3.256 20 0 HGADRN FC(F)(c1nccnc1Cl)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164953493 721998219 /nfs/dbraw/zinc/99/82/19/721998219.db2.gz YEHADTWNKZLZKD-UHFFFAOYSA-N 0 0 406.824 3.256 20 0 HGADRN Clc1cccc(COc2cncc(N3CCN(CCc4ccccn4)CC3)n2)c1 ZINC001165056144 722019722 /nfs/dbraw/zinc/01/97/22/722019722.db2.gz XFDMHCBGKVREFL-UHFFFAOYSA-N 0 0 409.921 3.469 20 0 HGADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)ncn1 ZINC001164964652 722027730 /nfs/dbraw/zinc/02/77/30/722027730.db2.gz XMHVOKLHEQUKDL-LALPHHSUSA-N 0 0 400.788 3.024 20 0 HGADRN Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)n1 ZINC001164957992 722027903 /nfs/dbraw/zinc/02/79/03/722027903.db2.gz CVHPIUXBYYGXFK-GUTXKFCHSA-N 0 0 414.815 3.333 20 0 HGADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)nc1 ZINC001164965145 722028158 /nfs/dbraw/zinc/02/81/58/722028158.db2.gz ZYGGTUJYYCROND-MCIONIFRSA-N 0 0 400.788 3.024 20 0 HGADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C[C@H]3O2)n1 ZINC001164957276 722040681 /nfs/dbraw/zinc/04/06/81/722040681.db2.gz ATMYPRVVDXHZPS-DETPVDSQSA-N 0 0 421.835 3.356 20 0 HGADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C[C@H]3O2)n1 ZINC001164960313 722041073 /nfs/dbraw/zinc/04/10/73/722041073.db2.gz KBOHTBUHOOQZOS-DETPVDSQSA-N 0 0 421.835 3.356 20 0 HGADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)n1 ZINC001164956971 722046320 /nfs/dbraw/zinc/04/63/20/722046320.db2.gz GHHOZIUZZOJAGK-GHMZBOCLSA-N 0 0 414.865 3.341 20 0 HGADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@H]21 ZINC001164957799 722046642 /nfs/dbraw/zinc/04/66/42/722046642.db2.gz KXKJYVPQICKACP-VHSXEESVSA-N 0 0 403.216 3.272 20 0 HGADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc(Cl)n1 ZINC001164963230 722063649 /nfs/dbraw/zinc/06/36/49/722063649.db2.gz BGUKURRZHKHBPS-ZJUUUORDSA-N 0 0 420.272 3.278 20 0 HGADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccnc(Cl)c1F ZINC001164966313 722063929 /nfs/dbraw/zinc/06/39/29/722063929.db2.gz QPYPKMLVGRWVGV-RYUDHWBXSA-N 0 0 402.829 3.369 20 0 HGADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)cc(Cl)n1 ZINC001164966854 722063963 /nfs/dbraw/zinc/06/39/63/722063963.db2.gz YBEOSOMNNYSJMK-UWVGGRQHSA-N 0 0 420.272 3.278 20 0 HGADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)Oc1cccnc1Cl ZINC001164966596 722064169 /nfs/dbraw/zinc/06/41/69/722064169.db2.gz VUAUCFYTYMGLSH-VXGBXAGGSA-N 0 0 400.838 3.110 20 0 HGADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164964524 722064763 /nfs/dbraw/zinc/06/47/63/722064763.db2.gz HEWDDTAYNGJUMG-SJORKVTESA-N 0 0 417.966 3.281 20 0 HGADRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1nc(Cl)c3ccccc3n1)CCO2 ZINC001164970611 722083327 /nfs/dbraw/zinc/08/33/27/722083327.db2.gz ZEHLWZPPTROIMU-GOSISDBHSA-N 0 0 410.852 3.046 20 0 HGADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C[C@@H]2C1 ZINC001164970865 722085301 /nfs/dbraw/zinc/08/53/01/722085301.db2.gz GPYNTZSYWXOEHQ-STQMWFEESA-N 0 0 421.879 3.354 20 0 HGADRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cccnc3Cl)C[C@H]2c2ccccc21 ZINC001164975865 722089268 /nfs/dbraw/zinc/08/92/68/722089268.db2.gz RDHGDVNMUDGZTB-TZMCWYRMSA-N 0 0 413.877 3.280 20 0 HGADRN Cn1cc(N2C[C@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@H]3C2=O)cn1 ZINC001164984098 722094601 /nfs/dbraw/zinc/09/46/01/722094601.db2.gz VJWTXIKIVKUQKY-CZUORRHYSA-N 0 0 417.847 3.266 20 0 HGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cnnc(Cl)c3)C[C@H]21 ZINC001164981241 722097492 /nfs/dbraw/zinc/09/74/92/722097492.db2.gz KPVOYLHNKYVJFF-BFYDXBDKSA-N 0 0 407.852 3.221 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc(C)c4C)CC[C@@H]32)cs1 ZINC001164983930 722173790 /nfs/dbraw/zinc/17/37/90/722173790.db2.gz CMHRWPGYWSUJHZ-IRXDYDNUSA-N 0 0 407.971 3.382 20 0 HGADRN COc1cc(Cl)cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164985929 722180997 /nfs/dbraw/zinc/18/09/97/722180997.db2.gz CJONGINUVZMZRW-DLBZAZTESA-N 0 0 408.955 3.378 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nccc(OC(C)(C)C)n4)CC[C@H]32)cs1 ZINC001164993948 722182453 /nfs/dbraw/zinc/18/24/53/722182453.db2.gz XSADGIZMYNMLDH-QZTJIDSGSA-N 0 0 417.579 3.289 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)c(Cl)c(C)n4)CC[C@H]32)cs1 ZINC001164994220 722183631 /nfs/dbraw/zinc/18/36/31/722183631.db2.gz YSPRYXIGQZMQOD-IAGOWNOFSA-N 0 0 407.971 3.382 20 0 HGADRN CCCc1cc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)nc(C)n1 ZINC001164988485 722184035 /nfs/dbraw/zinc/18/40/35/722184035.db2.gz JRPJFZCAQUEYNO-UXHICEINSA-N 0 0 401.580 3.372 20 0 HGADRN COc1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c(Cl)c1 ZINC001164992740 722184077 /nfs/dbraw/zinc/18/40/77/722184077.db2.gz TXJXRTKNPNHFNM-QZTJIDSGSA-N 0 0 408.955 3.378 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc5cc(F)ccc5n4)CC[C@@H]32)cs1 ZINC001164992838 722184327 /nfs/dbraw/zinc/18/43/27/722184327.db2.gz UTJDIMWJXKZBQF-PMACEKPBSA-N 0 0 413.522 3.404 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nccc5ncsc54)CC[C@@H]32)cs1 ZINC001164988502 722184390 /nfs/dbraw/zinc/18/43/90/722184390.db2.gz JVGMBZFDXZXZPX-IRXDYDNUSA-N 0 0 401.561 3.326 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C(C)(C)C)ncn4)CC[C@H]32)cs1 ZINC001164987008 722185210 /nfs/dbraw/zinc/18/52/10/722185210.db2.gz IDQZETZLZMFOPR-MSOLQXFVSA-N 0 0 401.580 3.409 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(-c5ccccn5)nn4)CC[C@@H]32)cs1 ZINC001164990123 722185734 /nfs/dbraw/zinc/18/57/34/722185734.db2.gz QGVINKQPSYRGMO-SFTDATJTSA-N 0 0 422.558 3.173 20 0 HGADRN CCS(=O)(=O)c1ccnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164998493 722213426 /nfs/dbraw/zinc/21/34/26/722213426.db2.gz WCSMYYQFHLENDF-NRFANRHFSA-N 0 0 403.523 3.259 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)Sc3ccc(Cl)nc3)[C@H]2C1 ZINC001164997491 722216737 /nfs/dbraw/zinc/21/67/37/722216737.db2.gz QTUCYACOISDKJR-UBHSHLNASA-N 0 0 405.898 3.381 20 0 HGADRN O=C1C[C@]2(CCN(C(F)(F)c3cncc(Cl)n3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164998639 722220044 /nfs/dbraw/zinc/22/00/44/722220044.db2.gz KXIWPLYPXZGOHE-SFHVURJKSA-N 0 0 422.819 3.037 20 0 HGADRN COCCO[C@H]1CCN(C(F)(F)c2cc(Cl)ncc2F)[C@H]1Cc1cnn(C)c1 ZINC001165000015 722223655 /nfs/dbraw/zinc/22/36/55/722223655.db2.gz VEPYGPNCCXGUPD-HOTGVXAUSA-N 0 0 418.847 3.006 20 0 HGADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cc(Cl)nc(C)n2)n1 ZINC001164998317 722226250 /nfs/dbraw/zinc/22/62/50/722226250.db2.gz AEMSNMVPEUMAIN-CYBMUJFWSA-N 0 0 412.872 3.197 20 0 HGADRN Cc1nc2ccsc2c(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1 ZINC001165003572 722259899 /nfs/dbraw/zinc/25/98/99/722259899.db2.gz IOAKCVGCHFNPSU-OAQYLSRUSA-N 0 0 411.506 3.066 20 0 HGADRN Cc1nc2ccccc2c(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1 ZINC001165005375 722262199 /nfs/dbraw/zinc/26/21/99/722262199.db2.gz WIQNAMVKRJWXBP-HSZRJFAPSA-N 0 0 405.477 3.005 20 0 HGADRN Cc1nc(Cl)cc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1C ZINC001165006975 722265298 /nfs/dbraw/zinc/26/52/98/722265298.db2.gz PNTHLPUJHZIYFJ-NRFANRHFSA-N 0 0 402.901 3.418 20 0 HGADRN Cc1cc2ccncc2nc1N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001165007416 722269731 /nfs/dbraw/zinc/26/97/31/722269731.db2.gz VWHFDMIJSDUXDB-QHCPKHFHSA-N 0 0 405.477 3.005 20 0 HGADRN CSCc1ccnc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1 ZINC001165007374 722270026 /nfs/dbraw/zinc/27/00/26/722270026.db2.gz VJAQDPKYLGHNNR-NRFANRHFSA-N 0 0 400.523 3.011 20 0 HGADRN COc1ccccc1[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1)[NH+]1CCCCC1 ZINC000780449964 939123602 /nfs/dbraw/zinc/12/36/02/939123602.db2.gz FUBHXGBAGREIMK-PZJWPPBQSA-N 0 0 411.502 3.347 20 0 HGADRN O=C([O-])[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000539606567 939286235 /nfs/dbraw/zinc/28/62/35/939286235.db2.gz YRCVIBFUNPEKMQ-LJQANCHMSA-N 0 0 418.440 3.442 20 0 HGADRN O=C([O-])[C@@]1(NC(=O)Cc2coc(-c3ccccc3)n2)CCC[N@H+](Cc2ccccc2)C1 ZINC001263627528 939828074 /nfs/dbraw/zinc/82/80/74/939828074.db2.gz OMSXBUFJWXBIKG-XMMPIXPASA-N 0 0 419.481 3.120 20 0 HGADRN Cc1cc(Cl)ccc1OCC(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001263627740 939828080 /nfs/dbraw/zinc/82/80/80/939828080.db2.gz VGXQSAYVAPYUAW-JOCHJYFZSA-N 0 0 416.905 3.263 20 0 HGADRN CCn1cc(CC(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC001263627569 939828280 /nfs/dbraw/zinc/82/82/80/939828280.db2.gz PFPCSGBZWYUUDY-RUZDIDTESA-N 0 0 419.525 3.439 20 0 HGADRN CCCOc1cc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])ccc1OC ZINC000426725509 1126083054 /nfs/dbraw/zinc/08/30/54/1126083054.db2.gz ZKFJRMSFDACMFA-GOSISDBHSA-N 0 0 415.486 3.431 20 0 HGADRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(OCc3csc(C)n3)cc2)C(=O)[O-])n1 ZINC000426739665 1126085460 /nfs/dbraw/zinc/08/54/60/1126085460.db2.gz DNDUSQQFSZVVBG-LJQANCHMSA-N 0 0 400.504 3.087 20 0 HGADRN O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000426730977 1126083955 /nfs/dbraw/zinc/08/39/55/1126083955.db2.gz CBFSKMCSDXZWLF-QGZVFWFLSA-N 0 0 408.355 3.211 20 0 HGADRN Cc1ccc(-c2ncc(C[NH2+][C@@H](Cc3cn(-c4ccccc4)nn3)C(=O)[O-])s2)cc1 ZINC000426735854 1126084868 /nfs/dbraw/zinc/08/48/68/1126084868.db2.gz HBFUCVLWINWPTH-FQEVSTJZSA-N 0 0 419.510 3.485 20 0 HGADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000426763994 1126089062 /nfs/dbraw/zinc/08/90/62/1126089062.db2.gz VCPFQSYOXYYNFY-LLVKDONJSA-N 0 0 402.423 3.330 20 0 HGADRN CCOc1cc(C[NH2+][C@@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])ccc1OC(F)F ZINC000426778454 1126090041 /nfs/dbraw/zinc/09/00/41/1126090041.db2.gz XTTDHHLRKBWHHS-AWEZNQCLSA-N 0 0 409.385 3.201 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000426789395 1126090709 /nfs/dbraw/zinc/09/07/09/1126090709.db2.gz UIAGGHYRWFAGTP-OAHLLOKOSA-N 0 0 405.834 3.016 20 0 HGADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000426747205 1126086492 /nfs/dbraw/zinc/08/64/92/1126086492.db2.gz NQCRESXCNCIQQA-IBGZPJMESA-N 0 0 414.303 3.479 20 0 HGADRN COc1cc(Br)c(C[NH2+][C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1OC ZINC000426748042 1126086601 /nfs/dbraw/zinc/08/66/01/1126086601.db2.gz ULUQRMQEFOVKLR-HNNXBMFYSA-N 0 0 412.255 3.391 20 0 HGADRN COc1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])c(OC)c1OC ZINC000426750068 1126086976 /nfs/dbraw/zinc/08/69/76/1126086976.db2.gz KRRVSCMAEAYGCJ-OAHLLOKOSA-N 0 0 424.291 3.260 20 0 HGADRN COc1cc(C)nc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])c1 ZINC000426805918 1126091486 /nfs/dbraw/zinc/09/14/86/1126091486.db2.gz HAVGZZWHQMENDU-SFHVURJKSA-N 0 0 418.291 3.428 20 0 HGADRN COc1cccc(C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2Br)C(=O)[O-])c1 ZINC000426813834 1126092117 /nfs/dbraw/zinc/09/21/17/1126092117.db2.gz ZYLYWTPNXMEZHL-INIZCTEOSA-N 0 0 424.291 3.260 20 0 HGADRN O=C([O-])C1([NH2+]Cc2cnc(-c3ccccn3)s2)CCN(Cc2ccccc2)CC1 ZINC000556323451 1126096986 /nfs/dbraw/zinc/09/69/86/1126096986.db2.gz OFUXZJKUJWTANW-UHFFFAOYSA-N 0 0 408.527 3.414 20 0 HGADRN OC[C@@H](Cc1ccc(F)cc1)NCc1c(Br)cncc1Br ZINC000571488413 1126097893 /nfs/dbraw/zinc/09/78/93/1126097893.db2.gz NHUNNTAVFIEXNU-GFCCVEGCSA-N 0 0 418.104 3.439 20 0 HGADRN Cc1cc(C[NH2+][C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc(C)c1OC(F)F ZINC000756385445 1126108459 /nfs/dbraw/zinc/10/84/59/1126108459.db2.gz DOZRTHOKAXSZKI-LBPRGKRZSA-N 0 0 407.339 3.363 20 0 HGADRN COc1cccc(-c2nnc(CN[C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)o2)c1 ZINC001197295670 1126153712 /nfs/dbraw/zinc/15/37/12/1126153712.db2.gz HGRADUWCWSOOJA-WMZOPIPTSA-N 0 0 407.392 3.369 20 0 HGADRN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1n[nH]cc1Br ZINC001206855621 1126159650 /nfs/dbraw/zinc/15/96/50/1126159650.db2.gz IGXIZJTYHYGLOA-AWEZNQCLSA-N 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ZINC000011099708 558262282 /nfs/dbraw/zinc/26/22/82/558262282.db2.gz RKHNRTBLLFGGNS-CQSZACIVSA-N 0 0 415.519 3.392 20 0 HGADRN O=C(NN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1Br ZINC000017093756 558822282 /nfs/dbraw/zinc/82/22/82/558822282.db2.gz AEKLPFMOVAZDJP-UHFFFAOYSA-N 0 0 424.048 3.153 20 0 HGADRN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O ZINC000007282340 569231963 /nfs/dbraw/zinc/23/19/63/569231963.db2.gz QGHPOWAJQUUJNA-HSZRJFAPSA-N 0 0 419.437 3.470 20 0 HGADRN Cc1cc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(Cc3ccccc3)c2)nc(C(C)C)n1 ZINC000328602103 571307519 /nfs/dbraw/zinc/30/75/19/571307519.db2.gz AEPQOOXUMYTROG-WMZHIEFXSA-N 0 0 418.545 3.785 20 0 HGADRN CCOC(=O)c1c2c(sc1NC(=O)N1CCN(CC(F)(F)F)CC1)CCC2 ZINC000611067816 581091072 /nfs/dbraw/zinc/09/10/72/581091072.db2.gz ZQLSKMGMQLTVHI-UHFFFAOYSA-N 0 0 405.442 3.125 20 0 HGADRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@H]12 ZINC001164406789 718856180 /nfs/dbraw/zinc/85/61/80/718856180.db2.gz OCLYAKFGMFJLMD-KBPBESRZSA-N 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CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164432035 718981602 /nfs/dbraw/zinc/98/16/02/718981602.db2.gz FAYOWTHSKDMQGR-IUODEOHRSA-N 0 0 409.697 3.247 20 0 HGADRN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN([C@@H](F)c2ccnc(Cl)c2)C3)nn1 ZINC001164639580 719265008 /nfs/dbraw/zinc/26/50/08/719265008.db2.gz QKNCTVMCWXJJNB-YSGRDPCXSA-N 0 0 421.904 3.021 20 0 HGADRN CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3C[C@H](c4nc(C)no4)O[C@H]3C2)n1 ZINC001164653212 719298036 /nfs/dbraw/zinc/29/80/36/719298036.db2.gz OXLVYROTKQWFRF-MXWKQRLJSA-N 0 0 417.869 3.445 20 0 HGADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C[C@H]3O2)n1 ZINC001164647844 719299520 /nfs/dbraw/zinc/29/95/20/719299520.db2.gz FANXRVJNRBUCMK-KGYLQXTDSA-N 0 0 422.823 3.271 20 0 HGADRN COC(=O)c1cccc2nc(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)ccc21 ZINC001164652048 719316348 /nfs/dbraw/zinc/31/63/48/719316348.db2.gz MKEAGOCTWIXYIJ-UHFFFAOYSA-N 0 0 407.518 3.423 20 0 HGADRN Cc1cc(C(F)(F)N2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)cc(Cl)n1 ZINC001164655526 719323830 /nfs/dbraw/zinc/32/38/30/719323830.db2.gz QFZNZAAQPMMAGT-GMBSWORKSA-N 0 0 413.896 3.488 20 0 HGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc(F)c(Cl)n2)C[C@@H]2CCCO[C@@H]12 ZINC001164656322 719324140 /nfs/dbraw/zinc/32/41/40/719324140.db2.gz WUFNXDOIZMMYKT-DXCKQFNASA-N 0 0 417.859 3.319 20 0 HGADRN Cc1ccc(C(F)(F)N2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)nc1Cl ZINC001164655572 719325163 /nfs/dbraw/zinc/32/51/63/719325163.db2.gz QTZLMXLRZZMHNT-DAYGRLMNSA-N 0 0 413.896 3.488 20 0 HGADRN Cc1ccc(C(F)(F)N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)CC3CC3)C2)nc1Cl ZINC001164655578 719325165 /nfs/dbraw/zinc/32/51/65/719325165.db2.gz QTZLMXLRZZMHNT-RLFYNMQTSA-N 0 0 413.896 3.488 20 0 HGADRN Fc1c(Cl)nccc1C(F)(F)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001164653853 719327316 /nfs/dbraw/zinc/32/73/16/719327316.db2.gz IPPUZAGSTUIISM-UHFFFAOYSA-N 0 0 424.814 3.395 20 0 HGADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164664825 719360466 /nfs/dbraw/zinc/36/04/66/719360466.db2.gz SNUPORMVSQFJTL-LLVKDONJSA-N 0 0 408.840 3.190 20 0 HGADRN CCn1nnc2c1[C@@H](COC)CN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164665108 719362516 /nfs/dbraw/zinc/36/25/16/719362516.db2.gz VOXXXUJABDGHHP-SNVBAGLBSA-N 0 0 406.701 3.060 20 0 HGADRN CCOC[C@H]1CN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)Cc2nn(CC3CC3)cc21 ZINC001164662383 719364571 /nfs/dbraw/zinc/36/45/71/719364571.db2.gz BGBXWZODIZUKNQ-CQSZACIVSA-N 0 0 412.868 3.265 20 0 HGADRN Fc1ccc(CN2CCOCC23CCN(c2[nH+][n-]c(Cl)c4ncnc2-4)CC3)cc1 ZINC001164673336 719515419 /nfs/dbraw/zinc/51/54/19/719515419.db2.gz OTLDQBZORALHTP-UHFFFAOYSA-N 0 0 416.888 3.017 20 0 HGADRN COc1cnc2c(c1)ncnc2N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164672790 719518942 /nfs/dbraw/zinc/51/89/42/719518942.db2.gz OALVKTBMVPYWLI-UHFFFAOYSA-N 0 0 423.492 3.044 20 0 HGADRN Cc1cc(C(F)(F)N2C[C@@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)cc(Cl)n1 ZINC001164677916 719556435 /nfs/dbraw/zinc/55/64/35/719556435.db2.gz RZMULCXFDDSTTF-INIZCTEOSA-N 0 0 411.880 3.220 20 0 HGADRN Cc1ccc(Cl)nc1C(F)(F)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001164683589 719685314 /nfs/dbraw/zinc/68/53/14/719685314.db2.gz GFSXALMFUNZRND-UHFFFAOYSA-N 0 0 420.851 3.217 20 0 HGADRN Fc1cnc(Cl)cc1C(F)(F)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001164685468 719685830 /nfs/dbraw/zinc/68/58/30/719685830.db2.gz KGYLYPXCDAUSCK-UHFFFAOYSA-N 0 0 424.814 3.047 20 0 HGADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164694762 719786291 /nfs/dbraw/zinc/78/62/91/719786291.db2.gz GNMMORBHKKJSOS-UHFFFAOYSA-N 0 0 414.840 3.233 20 0 HGADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ncnc2sc(C(C)C)cc21 ZINC001164707034 719838408 /nfs/dbraw/zinc/83/84/08/719838408.db2.gz YXCYYGQGOVUGOL-QVKFZJNVSA-N 0 0 418.563 3.047 20 0 HGADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nccc2cc(Cl)ccc21 ZINC001164697227 719849308 /nfs/dbraw/zinc/84/93/08/719849308.db2.gz BTRYXECWVAIPST-UWJYYQICSA-N 0 0 403.910 3.121 20 0 HGADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(Cl)nc2sccc21 ZINC001164706732 719849352 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ZINC000474344343 1126094628 /nfs/dbraw/zinc/09/46/28/1126094628.db2.gz ITKFRDIJSQJZTF-UHFFFAOYSA-N 0 0 412.125 3.226 20 0 HGADRN Cc1cc(C)cc(-n2ncc(C[NH2+][C@@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])n2)c1 ZINC000756332230 1126107195 /nfs/dbraw/zinc/10/71/95/1126107195.db2.gz GIZLPNDVXWVGLI-NRFANRHFSA-N 0 0 407.449 3.290 20 0 HGADRN COc1cccc(-c2nnc(CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)o2)c1 ZINC001197295666 1126153869 /nfs/dbraw/zinc/15/38/69/1126153869.db2.gz HGRADUWCWSOOJA-FUHWJXTLSA-N 0 0 407.392 3.369 20 0 HGADRN OC[C@@H](Cc1ccc(O)cc1)NCc1ncc(Br)cc1Br ZINC001462083295 1126197051 /nfs/dbraw/zinc/19/70/51/1126197051.db2.gz FLGVLHBWPWVOBK-GFCCVEGCSA-N 0 0 416.113 3.005 20 0 HGADRN COc1ccc(C[C@@](C)(CO)NCc2ncsc2Br)cc1OC ZINC001473840202 1126200677 /nfs/dbraw/zinc/20/06/77/1126200677.db2.gz SJRBJEKQSAAEER-INIZCTEOSA-N 0 0 401.326 3.006 20 0 HGADRN Cc1sc2nc(C)nc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2c1C ZINC000001377243 132245233 /nfs/dbraw/zinc/24/52/33/132245233.db2.gz SNAOOGSYAAJGCJ-UHFFFAOYSA-N 0 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719349796 /nfs/dbraw/zinc/34/97/96/719349796.db2.gz FIPQFUIVTRFEFX-UHFFFAOYSA-N 0 0 418.545 3.318 20 0 HGADRN CCN(CC)C(=O)c1nc2c(s1)CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164664103 719359649 /nfs/dbraw/zinc/35/96/49/719359649.db2.gz KPNXMICIEUWZHK-GOSISDBHSA-N 0 0 412.918 3.406 20 0 HGADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164662864 719361938 /nfs/dbraw/zinc/36/19/38/719361938.db2.gz GJULCFVFWPROJR-SECBINFHSA-N 0 0 408.236 3.175 20 0 HGADRN CN1CCO[C@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C[C@@H]21 ZINC001164666105 719460354 /nfs/dbraw/zinc/46/03/54/719460354.db2.gz BQWAOHZEHFTDQC-ROUUACIJSA-N 0 0 409.864 3.378 20 0 HGADRN Fc1ccc(CN2CCOCC23CCN(c2c(F)nc(F)nc2Cl)CC3)cc1 ZINC001164672555 719519737 /nfs/dbraw/zinc/51/97/37/719519737.db2.gz KLKNKJFKEGMFFG-UHFFFAOYSA-N 0 0 412.843 3.419 20 0 HGADRN Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)cc1N)C[C@@H]2COc1cccnc1 ZINC001164682561 719597588 /nfs/dbraw/zinc/59/75/88/719597588.db2.gz CCTSTJNGASJXEM-GFCCVEGCSA-N 0 0 420.851 3.173 20 0 HGADRN FC(F)(c1cccc2c(Cl)nccc21)N1C[C@H]2OCCN(c3ncccn3)[C@@H]2C1 ZINC001164692343 719800161 /nfs/dbraw/zinc/80/01/61/719800161.db2.gz NEUQFZDVNYITBA-IAGOWNOFSA-N 0 0 417.847 3.317 20 0 HGADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)CC3)cn1 ZINC001164695030 719826357 /nfs/dbraw/zinc/82/63/57/719826357.db2.gz ALHOPOGRZQGLIV-NSHDSACASA-N 0 0 415.897 3.240 20 0 HGADRN COC[C@@H]1CN(C(F)(F)c2cc(-c3ccco3)nnc2Cl)Cc2cn(C)nc21 ZINC001164693567 719832956 /nfs/dbraw/zinc/83/29/56/719832956.db2.gz CGPLNWXPDACTLX-LBPRGKRZSA-N 0 0 409.824 3.419 20 0 HGADRN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164694003 719834514 /nfs/dbraw/zinc/83/45/14/719834514.db2.gz CTLJCWRQQAUJDP-CQSZACIVSA-N 0 0 420.851 3.124 20 0 HGADRN O=C1COC2(CCN(C(F)(F)c3ccc(Cl)nn3)CC2)CN1c1ccccc1 ZINC001164696841 719836048 /nfs/dbraw/zinc/83/60/48/719836048.db2.gz VNJVSNFBULIISF-UHFFFAOYSA-N 0 0 408.836 3.077 20 0 HGADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(Cl)nc2ccccc21 ZINC001164702642 719837862 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719237432 /nfs/dbraw/zinc/23/74/32/719237432.db2.gz TUWSCDWGBIDRFK-KGLIPLIRSA-N 0 0 417.560 3.021 20 0 HGADRN CN1CCc2nc(Cl)nc(N3C[C@@H]4C[C@@H](c5nc(C6CC6)cs5)O[C@@H]4C3)c2C1 ZINC001164647013 719290771 /nfs/dbraw/zinc/29/07/71/719290771.db2.gz QJSMOCPDNLJXMJ-AFAVFJNCSA-N 0 0 417.966 3.418 20 0 HGADRN Nc1cc(Cl)nc(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC001164645171 719293797 /nfs/dbraw/zinc/29/37/97/719293797.db2.gz DCKBLWGGQUHECD-DAYGRLMNSA-N 0 0 410.852 3.210 20 0 HGADRN COc1cc(C(F)(F)N2CC[C@@H]3C[C@H](c4nc(C)no4)O[C@H]3C2)cc(Cl)n1 ZINC001164655427 719298064 /nfs/dbraw/zinc/29/80/64/719298064.db2.gz UJOHXBNOCDBDDO-RTXFEEFZSA-N 0 0 400.813 3.336 20 0 HGADRN COc1ccc(C(F)(F)N2CC[C@@H]3C[C@H](c4nc(C)no4)O[C@H]3C2)c(Cl)n1 ZINC001164648009 719299047 /nfs/dbraw/zinc/29/90/47/719299047.db2.gz FPXVBUGMYWLFHG-RTXFEEFZSA-N 0 0 400.813 3.336 20 0 HGADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@H]3O2)n1 ZINC001164650576 719300803 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/nfs/dbraw/zinc/88/15/76/721881576.db2.gz WFBUIMYRRIXAOK-UHFFFAOYSA-N 0 0 403.820 3.376 20 0 HGADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)Oc3ccc(Cl)nc3)CC[C@H]21)NC1CCC1 ZINC001164933689 721895701 /nfs/dbraw/zinc/89/57/01/721895701.db2.gz MZUJMFUDDBTHKQ-MAZHCROVSA-N 0 0 415.868 3.060 20 0 HGADRN Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)NC3CCC3)C2)nc1Cl ZINC001164932139 721896236 /nfs/dbraw/zinc/89/62/36/721896236.db2.gz GVRHSJXOBCJGEK-FVQBIDKESA-N 0 0 413.896 3.488 20 0 HGADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](CO[C@H]3CC(=O)NC3CCC3)C2)c1 ZINC001164932364 721896606 /nfs/dbraw/zinc/89/66/06/721896606.db2.gz HCVWGWQLDWWDEQ-IMJJTQAJSA-N 0 0 413.896 3.488 20 0 HGADRN COc1ccc2nc(N3C[C@@H]4[C@H](C3)OCCN4Cc3c(C)noc3C)c(C)cc2c1 ZINC001164941789 721935054 /nfs/dbraw/zinc/93/50/54/721935054.db2.gz JGKZWRZWBYNZIQ-YADHBBJMSA-N 0 0 408.502 3.246 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)nc4c(C)cccc43)C[C@@H]21 ZINC001164945813 721941821 /nfs/dbraw/zinc/94/18/21/721941821.db2.gz VALQKPAMGVRBAH-ROUUACIJSA-N 0 0 413.909 3.286 20 0 HGADRN CSc1nc2ccsc2c(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)n1 ZINC001164948025 721944033 /nfs/dbraw/zinc/94/40/33/721944033.db2.gz YTOCTUCMMZSAOR-JKSUJKDBSA-N 0 0 417.560 3.108 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nnc(Cl)c4cccc(C)c43)C[C@H]21 ZINC001164941176 721944763 /nfs/dbraw/zinc/94/47/63/721944763.db2.gz DZSDQHASELLONY-MSOLQXFVSA-N 0 0 413.909 3.286 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(C)nc4sc(C)c(C)c43)C[C@@H]21 ZINC001164941229 721945160 /nfs/dbraw/zinc/94/51/60/721945160.db2.gz FJSBYUIIKPVAKN-ROUUACIJSA-N 0 0 413.547 3.311 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(C(C)(C)C)nc(Cl)c3C)C[C@H]21 ZINC001164941753 721955678 /nfs/dbraw/zinc/95/56/78/721955678.db2.gz BWUKNTIBIBCICA-SJORKVTESA-N 0 0 419.957 3.430 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(CC(C)C)nc(Cl)c3C)C[C@H]21 ZINC001164950233 721962073 /nfs/dbraw/zinc/96/20/73/721962073.db2.gz ZQEUCCWDDXSMHA-QZTJIDSGSA-N 0 0 419.957 3.331 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nnc(-c4ccccc4F)cc3C)C[C@H]21 ZINC001164948888 721962338 /nfs/dbraw/zinc/96/23/38/721962338.db2.gz VQFPRQAXFGJGDK-FGZHOGPDSA-N 0 0 423.492 3.286 20 0 HGADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncc(C)c(-c4ccccc4F)n3)C[C@@H]21 ZINC001164947030 721962596 /nfs/dbraw/zinc/96/25/96/721962596.db2.gz OYXRTYGQPJMGPR-LEWJYISDSA-N 0 0 423.492 3.286 20 0 HGADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc(Cl)nn3)C[C@H]12 ZINC001164942024 721965392 /nfs/dbraw/zinc/96/53/92/721965392.db2.gz AIPJWOLJWXYLGF-PKOBYXMFSA-N 0 0 406.864 3.444 20 0 HGADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nccnc3Cl)C[C@@H]12 ZINC001164942002 721966891 /nfs/dbraw/zinc/96/68/91/721966891.db2.gz AFRAMKOFKZFARO-VQIMIIECSA-N 0 0 406.864 3.444 20 0 HGADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1ccc(-c3ccccc3)nn1)CC2 ZINC001164944470 721970813 /nfs/dbraw/zinc/97/08/13/721970813.db2.gz JCGOOSLPAIDPSK-UHFFFAOYSA-N 0 0 413.525 3.115 20 0 HGADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1ccc3cc(F)ccc3n1)CC2 ZINC001164946862 721973062 /nfs/dbraw/zinc/97/30/62/721973062.db2.gz XTGKNSWTZOHUOA-UHFFFAOYSA-N 0 0 404.489 3.345 20 0 HGADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164948460 721974442 /nfs/dbraw/zinc/97/44/42/721974442.db2.gz ZKMNPFPPYKFKIH-UHFFFAOYSA-N 0 0 421.932 3.254 20 0 HGADRN CSc1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164947277 721977638 /nfs/dbraw/zinc/97/76/38/721977638.db2.gz OGGAQQIYDCYLGZ-UHFFFAOYSA-N 0 0 416.978 3.428 20 0 HGADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164945152 721978350 /nfs/dbraw/zinc/97/83/50/721978350.db2.gz DXJGUENAYFEZMD-UHFFFAOYSA-N 0 0 413.525 3.115 20 0 HGADRN COC(=O)CCN(Cc1ccco1)C(F)(F)c1ccc(C(=O)OC)nc1Cl ZINC001165049181 721982104 /nfs/dbraw/zinc/98/21/04/721982104.db2.gz HZQJTNJNLYUGEU-UHFFFAOYSA-N 0 0 402.781 3.229 20 0 HGADRN CCS(=O)(=O)c1cc(C(F)(F)N(CCC(=O)OC)C2CCCC2)cnc1Cl ZINC001165051470 721988930 /nfs/dbraw/zinc/98/89/30/721988930.db2.gz UAQQFJSWTBEFIG-UHFFFAOYSA-N 0 0 424.897 3.386 20 0 HGADRN CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)C1 ZINC001164955532 722007904 /nfs/dbraw/zinc/00/79/04/722007904.db2.gz WEMQQPWHFKQUTG-ZBEGNZNMSA-N 0 0 423.291 3.332 20 0 HGADRN CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)C1 ZINC001164955741 722007916 /nfs/dbraw/zinc/00/79/16/722007916.db2.gz YJOSUGBUTNQHKY-MLGOLLRUSA-N 0 0 423.291 3.332 20 0 HGADRN CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(C(F)(F)Sc3ccc(Cl)nc3)C2)C1 ZINC001164955566 722011299 /nfs/dbraw/zinc/01/12/99/722011299.db2.gz WQVOPKKAQSJLKV-BLLLJJGKSA-N 0 0 420.913 3.272 20 0 HGADRN O=C(c1cnc(N2CCN(CCc3ccccn3)CC2)c(Cl)c1)N1CCCCC1 ZINC001165056052 722017711 /nfs/dbraw/zinc/01/77/11/722017711.db2.gz UZFPZWYGSLNYBV-UHFFFAOYSA-N 0 0 413.953 3.121 20 0 HGADRN COc1ccc(Cc2c(C)nc(N3CCN(CCc4ccccn4)CC3)nc2C)cc1 ZINC001165056073 722020054 /nfs/dbraw/zinc/02/00/54/722020054.db2.gz VJTMEHGJYXFURH-UHFFFAOYSA-N 0 0 417.557 3.453 20 0 HGADRN CS(=O)(=O)c1ccc(Cl)nc1N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001164955424 722021018 /nfs/dbraw/zinc/02/10/18/722021018.db2.gz GHANQWNVXCGIFD-UHFFFAOYSA-N 0 0 420.966 3.026 20 0 HGADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)nc1 ZINC001164965149 722028241 /nfs/dbraw/zinc/02/82/41/722028241.db2.gz ZYGGTUJYYCROND-MJBXVCDLSA-N 0 0 400.788 3.024 20 0 HGADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001164956436 722033254 /nfs/dbraw/zinc/03/32/54/722033254.db2.gz GQBMTCHZEIVSFS-MAUKXSAKSA-N 0 0 408.836 3.088 20 0 HGADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)ncc4Cl)C[C@@H]3O2)n1 ZINC001164957287 722040399 /nfs/dbraw/zinc/04/03/99/722040399.db2.gz AYSYIAUGMGOORW-NRUUGDAUSA-N 0 0 405.232 3.461 20 0 HGADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4ccc(Cl)nc4Cl)C[C@H]3O2)n1 ZINC001164959559 722040425 /nfs/dbraw/zinc/04/04/25/722040425.db2.gz IBQHQKKASUBRIF-JBLDHEPKSA-N 0 0 405.232 3.461 20 0 HGADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)C[C@H]3O2)n1 ZINC001164963524 722040463 /nfs/dbraw/zinc/04/04/63/722040463.db2.gz RTVLXPHRCCFPAD-SLEUVZQESA-N 0 0 421.835 3.356 20 0 HGADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C[C@@H]3O2)n1 ZINC001164963142 722041268 /nfs/dbraw/zinc/04/12/68/722041268.db2.gz QVHARMXTZRWFDT-MJVIPROJSA-N 0 0 409.824 3.289 20 0 HGADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4nc5ccccc5nc4Cl)C[C@@H]3O2)n1 ZINC001164965641 722041533 /nfs/dbraw/zinc/04/15/33/722041533.db2.gz ZSEPXDXCGWXPCW-HUBLWGQQSA-N 0 0 421.835 3.356 20 0 HGADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164963506 722042493 /nfs/dbraw/zinc/04/24/93/722042493.db2.gz RNXCXJFGRGDXEZ-XUJVJEKNSA-N 0 0 411.840 3.080 20 0 HGADRN Cc1ccc(N2C[C@]3(CCN(c4nc(Cl)nc5c4CN(C)CC5)C3)CC2=O)s1 ZINC001164965384 722044497 /nfs/dbraw/zinc/04/44/97/722044497.db2.gz XLXIYNUUYQQTBX-HXUWFJFHSA-N 0 0 417.966 3.121 20 0 HGADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@H]21 ZINC001164958276 722048487 /nfs/dbraw/zinc/04/84/87/722048487.db2.gz MOXQZMXJBNRURB-BXUZGUMPSA-N 0 0 408.836 3.108 20 0 HGADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)Oc1cccc(Cl)n1 ZINC001164963679 722064305 /nfs/dbraw/zinc/06/43/05/722064305.db2.gz BYHQNPXBJDIQOO-RYUDHWBXSA-N 0 0 400.838 3.110 20 0 HGADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(F)c1 ZINC001164966359 722064553 /nfs/dbraw/zinc/06/45/53/722064553.db2.gz RMSBKYBKKJRIBY-STQMWFEESA-N 0 0 402.829 3.369 20 0 HGADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1nc2ccc(Cl)nc2[nH]1 ZINC001164966536 722065433 /nfs/dbraw/zinc/06/54/33/722065433.db2.gz VRXRQZOOBNDWIG-VXGBXAGGSA-N 0 0 424.864 3.106 20 0 HGADRN F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164968235 722076675 /nfs/dbraw/zinc/07/66/75/722076675.db2.gz XERGKGAHHSVJLJ-LVCYWYKZSA-N 0 0 418.900 3.224 20 0 HGADRN Nc1cc(Cl)nc(C(F)(F)N2CCc3onc(COc4ccccn4)c3C2)c1 ZINC001164969999 722082972 /nfs/dbraw/zinc/08/29/72/722082972.db2.gz SUOZPKOTUIDWRJ-UHFFFAOYSA-N 0 0 407.808 3.387 20 0 HGADRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CCO2 ZINC001164968323 722083584 /nfs/dbraw/zinc/08/35/84/722083584.db2.gz BCAQVZCKOHVIOM-GOSISDBHSA-N 0 0 410.852 3.046 20 0 HGADRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1nc3ccccc3nc1Cl)CCO2 ZINC001164968593 722083626 /nfs/dbraw/zinc/08/36/26/722083626.db2.gz FGYPUERZGONEBX-GOSISDBHSA-N 0 0 410.852 3.046 20 0 HGADRN Cn1cc(N2C[C@@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@H]3C2=O)cn1 ZINC001164984100 722094701 /nfs/dbraw/zinc/09/47/01/722094701.db2.gz VJWTXIKIVKUQKY-XJKSGUPXSA-N 0 0 417.847 3.266 20 0 HGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)cc3N)C[C@H]21 ZINC001164986260 722097472 /nfs/dbraw/zinc/09/74/72/722097472.db2.gz YOZIVEFFCFYWHQ-HBUWYVDXSA-N 0 0 421.879 3.408 20 0 HGADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC001164976891 722162208 /nfs/dbraw/zinc/16/22/08/722162208.db2.gz FDYYUNZCERPHKK-LJQANCHMSA-N 0 0 421.831 3.191 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc(C)c(NC(C)C)n4)CC[C@H]32)cs1 ZINC001164984824 722173493 /nfs/dbraw/zinc/17/34/93/722173493.db2.gz GCUMLUMFQNKLQJ-MOPGFXCFSA-N 0 0 416.595 3.240 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nccc(C(C)(C)C)n4)CC[C@H]32)cs1 ZINC001164985914 722180179 /nfs/dbraw/zinc/18/01/79/722180179.db2.gz CEIJWJPKGCLOFT-QZTJIDSGSA-N 0 0 401.580 3.409 20 0 HGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cnc(-c5ccco5)cn4)CC[C@H]32)cs1 ZINC001164991186 722180404 /nfs/dbraw/zinc/18/04/04/722180404.db2.gz PBKPFJSLTXXOPY-UYAOXDASSA-N 0 0 411.531 3.371 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5nc[nH]c5cc4Cl)CC[C@@H]32)cs1 ZINC001164986898 722183821 /nfs/dbraw/zinc/18/38/21/722183821.db2.gz FSDGQVPEOJOFPR-IRXDYDNUSA-N 0 0 418.954 3.246 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nccc5ncsc54)CC[C@H]32)cs1 ZINC001164988503 722184359 /nfs/dbraw/zinc/18/43/59/722184359.db2.gz JVGMBZFDXZXZPX-SJORKVTESA-N 0 0 401.561 3.326 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5ccc(Cl)nc5[nH]4)CC[C@@H]32)cs1 ZINC001164991257 722184543 /nfs/dbraw/zinc/18/45/43/722184543.db2.gz PPSVPKYODRYJDW-HOTGVXAUSA-N 0 0 418.954 3.246 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C(C)(C)C)ncn4)CC[C@@H]32)cs1 ZINC001164987010 722185180 /nfs/dbraw/zinc/18/51/80/722185180.db2.gz IDQZETZLZMFOPR-ROUUACIJSA-N 0 0 401.580 3.409 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(C(C)(C)C)nn4)CC[C@@H]32)cs1 ZINC001164987630 722185276 /nfs/dbraw/zinc/18/52/76/722185276.db2.gz KWNCQOGOWJSZQD-ROUUACIJSA-N 0 0 401.580 3.409 20 0 HGADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(-c5ccccn5)ncn4)CC[C@@H]32)cs1 ZINC001164990131 722185395 /nfs/dbraw/zinc/18/53/95/722185395.db2.gz QIMNBHPPMXILAA-SFTDATJTSA-N 0 0 422.558 3.173 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3ccc(Cl)nc3Cl)[C@@H]2C1 ZINC001164999083 722214025 /nfs/dbraw/zinc/21/40/25/722214025.db2.gz ZLMFGSGQVJFJEX-CYZMBNFOSA-N 0 0 408.276 3.442 20 0 HGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(Cl)(Cl)Oc3ccc(Cl)nc3)[C@H]2C1 ZINC001164995117 722217156 /nfs/dbraw/zinc/21/71/56/722217156.db2.gz GSESMLCGBRPPHD-FPMFFAJLSA-N 0 0 422.740 3.207 20 0 HGADRN O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN([C@@H](F)c1ccnc(Cl)c1)C2 ZINC001164994283 722218317 /nfs/dbraw/zinc/21/83/17/722218317.db2.gz ABBLILAVXALFTO-UYAOXDASSA-N 0 0 417.872 3.025 20 0 HGADRN O=C1C[C@@]2(CCN(C(F)(F)c3nccc(Cl)n3)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000812 722219355 /nfs/dbraw/zinc/21/93/55/722219355.db2.gz ZIVUXABLPRQWHU-GOSISDBHSA-N 0 0 422.819 3.037 20 0 HGADRN O=C1C[C@@]2(CCN([C@H](F)Oc3ccc(Cl)nc3)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000279 722219813 /nfs/dbraw/zinc/21/98/13/722219813.db2.gz WDBBLNJZLDQFSB-VQTJNVASSA-N 0 0 419.840 3.225 20 0 HGADRN CC(=O)NCc1ncn2c1CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CCC2 ZINC001164999145 722228679 /nfs/dbraw/zinc/22/86/79/722228679.db2.gz ISNRFBWHJJTFBQ-UHFFFAOYSA-N 0 0 409.868 3.098 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc(-c3cccs3)nn1)C2 ZINC001165007203 722265833 /nfs/dbraw/zinc/26/58/33/722265833.db2.gz QEVAQQGIMWBPEF-JOCHJYFZSA-N 0 0 423.517 3.272 20 0 HGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cnc(-c3ccccc3)cn1)C2 ZINC001165004558 722268064 /nfs/dbraw/zinc/26/80/64/722268064.db2.gz BMEHYENRZODFAJ-DEOSSOPVSA-N 0 0 417.488 3.210 20 0 HGADRN O=C([O-])[C@@]1(NC(=O)CCc2cc(F)ccc2F)CCC[N@H+](Cc2ccccc2)C1 ZINC001123371731 939821629 /nfs/dbraw/zinc/82/16/29/939821629.db2.gz CKGOOKDIVGFHSM-JOCHJYFZSA-N 0 0 402.441 3.133 20 0 HGADRN Cc1nn(-c2ccccc2)cc1C(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123372330 939822227 /nfs/dbraw/zinc/82/22/27/939822227.db2.gz LZRAGWKGWRXZQC-XMMPIXPASA-N 0 0 418.497 3.030 20 0 HGADRN COc1ccccc1[C@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001263627187 939828093 /nfs/dbraw/zinc/82/80/93/939828093.db2.gz BEGVCIZZWLNANL-KOSHJBKYSA-N 0 0 410.514 3.424 20 0 HGADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000426721186 1126082164 /nfs/dbraw/zinc/08/21/64/1126082164.db2.gz AIMMEELVSIFJPY-SNVBAGLBSA-N 0 0 402.423 3.330 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000426724233 1126082954 /nfs/dbraw/zinc/08/29/54/1126082954.db2.gz QNQSFDUBSSIYHY-QGZVFWFLSA-N 0 0 403.862 3.222 20 0 HGADRN Cc1cc(C[NH2+][C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])sc1Br ZINC000426732062 1126084215 /nfs/dbraw/zinc/08/42/15/1126084215.db2.gz HHHHRSFTRNERPW-OAHLLOKOSA-N 0 0 421.320 3.185 20 0 HGADRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426735179 1126084804 /nfs/dbraw/zinc/08/48/04/1126084804.db2.gz SCUWGLGBDHTZIR-MRXNPFEDSA-N 0 0 409.248 3.499 20 0 HGADRN Cc1cc(Br)ccc1C[NH2+][C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000426756557 1126088205 /nfs/dbraw/zinc/08/82/05/1126088205.db2.gz KXDAGQUCMMBSMF-GFCCVEGCSA-N 0 0 406.202 3.216 20 0 HGADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000426757590 1126088212 /nfs/dbraw/zinc/08/82/12/1126088212.db2.gz DQHPMXDVKVBNHX-SFHVURJKSA-N 0 0 400.276 3.420 20 0 HGADRN COc1cc(Cl)c(C[NH2+][C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])cc1Cl ZINC000426742587 1126085803 /nfs/dbraw/zinc/08/58/03/1126085803.db2.gz KGTQYVFOSIYQRY-QGZVFWFLSA-N 0 0 421.284 3.368 20 0 HGADRN Cc1nc(COc2ccc(C[NH2+][C@H](Cc3cccc(Cl)c3)C(=O)[O-])cc2)no1 ZINC000426743983 1126086002 /nfs/dbraw/zinc/08/60/02/1126086002.db2.gz VQISYCCJGSMJNU-GOSISDBHSA-N 0 0 401.850 3.396 20 0 HGADRN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cc1O ZINC000426795985 1126091015 /nfs/dbraw/zinc/09/10/15/1126091015.db2.gz ZWRSKZYFUPNTNX-MRXNPFEDSA-N 0 0 419.275 3.430 20 0 HGADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000426752622 1126087464 /nfs/dbraw/zinc/08/74/64/1126087464.db2.gz DNXDVVJQPUYBSH-LLVKDONJSA-N 0 0 410.165 3.047 20 0 HGADRN COc1cc(C[C@@H]([NH2+]Cc2csc(Br)c2)C(=O)[O-])cc(OC)c1 ZINC000426804330 1126091297 /nfs/dbraw/zinc/09/12/97/1126091297.db2.gz UAGXYOYSTDRXEE-CQSZACIVSA-N 0 0 400.294 3.313 20 0 HGADRN COc1cc(C[C@H]([NH2+]Cc2cc(Br)ccc2OC)C(=O)[O-])cc(OC)c1 ZINC000426807151 1126091482 /nfs/dbraw/zinc/09/14/82/1126091482.db2.gz GGNNOGGBUGPHOX-KRWDZBQOSA-N 0 0 424.291 3.260 20 0 HGADRN COc1cccc(C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C(=O)[O-])c1 ZINC000426809633 1126091732 /nfs/dbraw/zinc/09/17/32/1126091732.db2.gz VYQSNNDTHCBRHS-INIZCTEOSA-N 0 0 422.275 3.014 20 0 HGADRN O=C([O-])[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000551058061 1126096998 /nfs/dbraw/zinc/09/69/98/1126096998.db2.gz XIOCLXOHCRJXEP-GOSISDBHSA-N 0 0 416.275 3.126 20 0 HGADRN CC[C@@H](C)Oc1cc(C[NH2+][C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])ccc1OC ZINC000683174898 1126106376 /nfs/dbraw/zinc/10/63/76/1126106376.db2.gz RNZYBSGMHQPUOR-RHSMWYFYSA-N 0 0 401.459 3.387 20 0 HGADRN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1nnc(C(F)(F)F)s1 ZINC001176588622 1126149872 /nfs/dbraw/zinc/14/98/72/1126149872.db2.gz UIXZFGOTABLKSL-ZDUSSCGKSA-N 0 0 410.259 3.403 20 0 HGADRN COc1cc(C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1OCc1ccncc1 ZINC001320872923 1126170636 /nfs/dbraw/zinc/17/06/36/1126170636.db2.gz SYGNFJQGZBOKHU-FQEVSTJZSA-N 0 0 408.454 3.160 20 0 HGADRN COc1cc(C[NH2+][C@@H](Cn2cc(Cl)cn2)C(=O)[O-])ccc1OCc1ccccc1 ZINC001343647673 1126182171 /nfs/dbraw/zinc/18/21/71/1126182171.db2.gz GADRTSSKXPSFPH-SFHVURJKSA-N 0 0 415.877 3.367 20 0 HGADRN COc1ccc(C[C@@](C)(CO)NCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1 ZINC001460854946 1126192182 /nfs/dbraw/zinc/19/21/82/1126192182.db2.gz AXBSLCQLCWMEIM-FQEVSTJZSA-N 0 0 407.392 3.246 20 0 HGADRN O=C([C@@H](c1ccccc1)N1Cc2ccccc2C1=O)N1CCN(c2ccccn2)CC1 ZINC000006779998 132315826 /nfs/dbraw/zinc/31/58/26/132315826.db2.gz CQZBQQHKCSAGRU-HSZRJFAPSA-N 0 0 412.493 3.128 20 0 HGADRN Cn1c(CN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)nc2ccccc21 ZINC000248087878 568747462 /nfs/dbraw/zinc/74/74/62/568747462.db2.gz SZXDZOQWANPDRE-UHFFFAOYSA-N 0 0 417.557 3.134 20 0 HGADRN COc1ccc(CN2CCC(OC)(c3nc(CC(F)(F)F)no3)CC2)cc1F ZINC000555983560 568784935 /nfs/dbraw/zinc/78/49/35/568784935.db2.gz ADOBWCQHYXWSRG-UHFFFAOYSA-N 0 0 403.376 3.460 20 0 HGADRN CCOC(=O)[C@H](CCSC)NC(=O)[C@@H](CSC(C)=O)Cc1ccccc1C ZINC000003785119 569254736 /nfs/dbraw/zinc/25/47/36/569254736.db2.gz ZVQXPUMRSJGLSF-MSOLQXFVSA-N 0 0 411.589 3.234 20 0 investigational HGADRN