smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)Cc1ccccc1CNC(=O)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000426398069 231215020 /nfs/dbraw/zinc/21/50/20/231215020.db2.gz PLIOVWJKUCLIFX-OAQYLSRUSA-N 0 3 382.508 3.034 50 0 GGAAHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC(Oc2ccccc2F)C1 ZINC000426405492 231216435 /nfs/dbraw/zinc/21/64/35/231216435.db2.gz KSSZYVGLBJGSSI-GOSISDBHSA-N 0 3 383.467 3.120 50 0 GGAAHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC(Oc2ccccc2F)C1 ZINC000426405493 231216491 /nfs/dbraw/zinc/21/64/91/231216491.db2.gz KSSZYVGLBJGSSI-SFHVURJKSA-N 0 3 383.467 3.120 50 0 GGAAHN Cn1ccnc1-c1ccc(C(=O)NC[C@H]2CCCN(Cc3ccco3)C2)cc1 ZINC000426382960 231210997 /nfs/dbraw/zinc/21/09/97/231210997.db2.gz BDSABGNNBIVPBM-QGZVFWFLSA-N 0 3 378.476 3.322 50 0 GGAAHN Cn1ccnc1-c1ccc(C(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)cc1 ZINC000426382953 231211192 /nfs/dbraw/zinc/21/11/92/231211192.db2.gz BDSABGNNBIVPBM-KRWDZBQOSA-N 0 3 378.476 3.322 50 0 GGAAHN Cc1nccn1CC[C@@H](NC(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1 ZINC000426477480 231224527 /nfs/dbraw/zinc/22/45/27/231224527.db2.gz YVBGSHOMZWVKHD-LJQANCHMSA-N 0 3 393.495 3.030 50 0 GGAAHN O=C1NC2(C[C@H]1c1ccccc1)CCN(Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000426490746 231228255 /nfs/dbraw/zinc/22/82/55/231228255.db2.gz RVCWOYYXPUYSMT-SFHVURJKSA-N 0 3 376.460 3.308 50 0 GGAAHN Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000426493090 231228493 /nfs/dbraw/zinc/22/84/93/231228493.db2.gz VVIKZTWMLBLPHG-GOSISDBHSA-N 0 3 378.524 3.272 50 0 GGAAHN O=C(NCCN1CCC[C@H](c2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000426523294 231235343 /nfs/dbraw/zinc/23/53/43/231235343.db2.gz ZWDJBFLMMYKQGV-NRFANRHFSA-N 0 3 385.552 3.468 50 0 GGAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000426589798 231243735 /nfs/dbraw/zinc/24/37/35/231243735.db2.gz PRMDSLGREHIERK-IBGZPJMESA-N 0 3 381.524 3.097 50 0 GGAAHN COCCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccc([O-])c(F)c3)c2)C1 ZINC000426589864 231243746 /nfs/dbraw/zinc/24/37/46/231243746.db2.gz ZCKNPVBTJQDYAM-INIZCTEOSA-N 0 3 386.467 3.287 50 0 GGAAHN COCCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccc([O-])c(F)c3)c2)C1 ZINC000426589864 231243748 /nfs/dbraw/zinc/24/37/48/231243748.db2.gz ZCKNPVBTJQDYAM-INIZCTEOSA-N 0 3 386.467 3.287 50 0 GGAAHN CO[C@]12CCN(Cc3ccc(N(C)C)nc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426640333 231248312 /nfs/dbraw/zinc/24/83/12/231248312.db2.gz CNXZKRSNCZOKKF-CNNODRBYSA-N 0 3 382.508 3.134 50 0 GGAAHN CN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(CSCCO)cc3)cc2)C1 ZINC000426689887 231253402 /nfs/dbraw/zinc/25/34/02/231253402.db2.gz PWFSLPLJYUAPDG-NRFANRHFSA-N 0 3 384.545 3.355 50 0 GGAAHN O=C(NCCN1CCC[C@H](CO)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426715893 231255192 /nfs/dbraw/zinc/25/51/92/231255192.db2.gz KYNBMEFOVDKJHM-KRWDZBQOSA-N 0 3 377.488 3.269 50 0 GGAAHN CO[C@]12CCN(Cc3ccc(N(C)C)nc3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426723816 231255578 /nfs/dbraw/zinc/25/55/78/231255578.db2.gz CNXZKRSNCZOKKF-XQBPLPMBSA-N 0 3 382.508 3.134 50 0 GGAAHN CC[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1nc2cc(C)ccc2[nH]1 ZINC000426536529 529491676 /nfs/dbraw/zinc/49/16/76/529491676.db2.gz RICWABNCMYSFFT-KRWDZBQOSA-N 0 3 378.480 3.249 50 0 GGAAHN CC[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1nc2ccc(C)cc2[nH]1 ZINC000426536529 529491680 /nfs/dbraw/zinc/49/16/80/529491680.db2.gz RICWABNCMYSFFT-KRWDZBQOSA-N 0 3 378.480 3.249 50 0 GGAAHN CCc1ccc(CN2CCc3c(C(=O)N(C)[C@@H]4CCN(C)C4)csc3C2)nc1 ZINC000426487427 529642486 /nfs/dbraw/zinc/64/24/86/529642486.db2.gz PNJLZVXOIKPALT-GOSISDBHSA-N 0 3 398.576 3.040 50 0 GGAAHN CCc1ccc(CN2CCc3c(C(=O)N[C@H]4CCN(CC)C4)csc3C2)nc1 ZINC000426515471 529644416 /nfs/dbraw/zinc/64/44/16/529644416.db2.gz CWDPCNXNZUTWCP-SFHVURJKSA-N 0 3 398.576 3.088 50 0 GGAAHN CN(Cc1cnc2ccccn12)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000426523289 530016353 /nfs/dbraw/zinc/01/63/53/530016353.db2.gz ZAZSGIWXNJRMJZ-LJQANCHMSA-N 0 3 377.492 3.140 50 0 GGAAHN CCN1CCN(CCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)CC1 ZINC000020590324 203830075 /nfs/dbraw/zinc/83/00/75/203830075.db2.gz ZXWVKAYTKSNSLT-UHFFFAOYSA-N 0 3 378.472 3.476 50 0 GGAAHN CC1(C)N=C(N)NC(=N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl ZINC000003581056 204014224 /nfs/dbraw/zinc/01/42/24/204014224.db2.gz MJZJYWCQPMNPRM-UHFFFAOYSA-N 0 3 394.690 3.028 50 0 world GGAAHN CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004111356 204027260 /nfs/dbraw/zinc/02/72/60/204027260.db2.gz GOLJVSJIHHQCQE-QFIPXVFZSA-N 0 3 399.579 3.488 50 0 GGAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccnc1 ZINC000004271557 204035859 /nfs/dbraw/zinc/03/58/59/204035859.db2.gz HXVHCMDMCUHWLL-GOSISDBHSA-N 0 3 397.862 3.338 50 0 GGAAHN c1ccc(CN2CCOCCOCCN(Cc3ccccc3)CCOCC2)cc1 ZINC000004257911 204036323 /nfs/dbraw/zinc/03/63/23/204036323.db2.gz XUNRUQFHVHCHDT-UHFFFAOYSA-N 0 3 398.547 3.054 50 0 GGAAHN COCCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000004725466 204069259 /nfs/dbraw/zinc/06/92/59/204069259.db2.gz UVSMCFQNZWZRBL-UHFFFAOYSA-N 0 3 382.504 3.240 50 0 GGAAHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000004725063 204069418 /nfs/dbraw/zinc/06/94/18/204069418.db2.gz OPXBVBURIYYMJK-AWEZNQCLSA-N 0 3 397.313 3.361 50 0 GGAAHN COc1ccc([C@H](O)Cn2c3ccccc3n(CCN3CCCCC3)c2=N)cc1 ZINC000004793837 204077151 /nfs/dbraw/zinc/07/71/51/204077151.db2.gz REWRNKZOHJNJGC-JOCHJYFZSA-N 0 3 394.519 3.150 50 0 GGAAHN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O ZINC000004845857 204081991 /nfs/dbraw/zinc/08/19/91/204081991.db2.gz UXOKYRMKTXJZEN-MPMPPSQCSA-N 0 3 399.472 3.477 50 0 GGAAHN Cn1nnnc1SCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000004670890 204061600 /nfs/dbraw/zinc/06/16/00/204061600.db2.gz HFXFDAATZIEGHQ-UHFFFAOYSA-N 0 3 389.912 3.324 50 0 GGAAHN CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000004689459 204064382 /nfs/dbraw/zinc/06/43/82/204064382.db2.gz ZYVLGZXPMFGDFX-GOSISDBHSA-N 0 3 391.899 3.433 50 0 GGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccc2)N(CCCN(C)C)C1=O ZINC000005350155 204128044 /nfs/dbraw/zinc/12/80/44/204128044.db2.gz TVVQJNGSVAXWPF-HXUWFJFHSA-N 0 3 392.455 3.299 50 0 GGAAHN Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccn2)no1 ZINC000005304194 204124020 /nfs/dbraw/zinc/12/40/20/204124020.db2.gz NLZALPVAIZUZGB-KRWDZBQOSA-N 0 3 377.331 3.373 50 0 GGAAHN COc1cccc(CNCCCN2CCOCC2)c1OCc1ccc(F)cc1 ZINC000005019638 204103775 /nfs/dbraw/zinc/10/37/75/204103775.db2.gz YUADQXABIZWUHM-UHFFFAOYSA-N 0 3 388.483 3.225 50 0 GGAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000005421818 204130663 /nfs/dbraw/zinc/13/06/63/204130663.db2.gz QXSQQJVFJWOTNB-OAQYLSRUSA-N 0 3 391.471 3.339 50 0 GGAAHN C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@]1(C)CC1(Br)Br ZINC000006849590 204214641 /nfs/dbraw/zinc/21/46/41/204214641.db2.gz LXDUPBWILSTEEG-WCQYABFASA-N 0 3 396.167 3.119 50 0 GGAAHN CCOc1cc(CNCCSc2nnnn2C)ccc1OCc1ccccc1 ZINC000008254636 204267964 /nfs/dbraw/zinc/26/79/64/204267964.db2.gz ZBUNQDICKXFNDV-UHFFFAOYSA-N 0 3 399.520 3.070 50 0 GGAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000009575577 204317189 /nfs/dbraw/zinc/31/71/89/204317189.db2.gz GRYVQZGQTFZMDK-KRWDZBQOSA-N 0 3 390.487 3.374 50 0 GGAAHN Cn1nnnc1SCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000010434615 204335207 /nfs/dbraw/zinc/33/52/07/204335207.db2.gz AXNLXIWVDUEUCH-UHFFFAOYSA-N 0 3 383.399 3.371 50 0 GGAAHN Fc1ccccc1CN1CCC(CN(Cc2c[nH]cn2)C[C@H]2CCCO2)CC1 ZINC000011661371 204347842 /nfs/dbraw/zinc/34/78/42/204347842.db2.gz OBKQBYHQGTVHHL-OAQYLSRUSA-N 0 3 386.515 3.442 50 0 GGAAHN O=C(CCc1cnccn1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000011711721 204350697 /nfs/dbraw/zinc/35/06/97/204350697.db2.gz FWZLLHSDKUXFBX-QFIPXVFZSA-N 0 3 382.483 3.063 50 0 GGAAHN O=C(c1ccccn1)N([C@H](Cc1ccccc1)C1CCN(CCO)CC1)C1CC1 ZINC000011782275 204353005 /nfs/dbraw/zinc/35/30/05/204353005.db2.gz UEBNYMUAFDQIBU-HSZRJFAPSA-N 0 3 393.531 3.002 50 0 GGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)C1CCOCC1 ZINC000011816984 204353737 /nfs/dbraw/zinc/35/37/37/204353737.db2.gz ORDBMASEFQBNPE-HXUWFJFHSA-N 0 3 388.552 3.225 50 0 GGAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)C1CCOCC1 ZINC000011816985 204353748 /nfs/dbraw/zinc/35/37/48/204353748.db2.gz ORDBMASEFQBNPE-FQEVSTJZSA-N 0 3 388.552 3.225 50 0 GGAAHN Cc1cccc(CNCc2ccccc2OC[C@H](O)CN2CCSCC2)c1 ZINC000011816526 204354072 /nfs/dbraw/zinc/35/40/72/204354072.db2.gz FWUIQWZSVJVLGZ-OAQYLSRUSA-N 0 3 386.561 3.073 50 0 GGAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCc2cccnc2)C1 ZINC000011817204 204354209 /nfs/dbraw/zinc/35/42/09/204354209.db2.gz HPQSASWRFDYCHQ-OAQYLSRUSA-N 0 3 395.547 3.436 50 0 GGAAHN CCc1ncc(CN2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)cn1 ZINC000011840304 204355006 /nfs/dbraw/zinc/35/50/06/204355006.db2.gz DWRJFZSUCCGZPE-HSZRJFAPSA-N 0 3 378.520 3.362 50 0 GGAAHN COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(Cc3cccc(C)n3)C2)c1 ZINC000011821645 204355041 /nfs/dbraw/zinc/35/50/41/204355041.db2.gz FPFUSORNTRLMNM-KRWDZBQOSA-N 0 3 383.492 3.049 50 0 GGAAHN COc1ccc(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1OC ZINC000011838950 204355292 /nfs/dbraw/zinc/35/52/92/204355292.db2.gz LOYJGYOKAXSGPQ-HXUWFJFHSA-N 0 3 382.504 3.483 50 0 GGAAHN Cc1ccccc1CNCc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000011839658 204356050 /nfs/dbraw/zinc/35/60/50/204356050.db2.gz TUAOBCRSJLHLDA-OAQYLSRUSA-N 0 3 386.561 3.073 50 0 GGAAHN O=C1NCCN1c1ccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000011841321 204357724 /nfs/dbraw/zinc/35/77/24/204357724.db2.gz PLUBISHRCDVMLR-QHCPKHFHSA-N 0 3 397.494 3.173 50 0 GGAAHN COc1cccc(C(=O)N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1OC ZINC000011873613 204359026 /nfs/dbraw/zinc/35/90/26/204359026.db2.gz HFCWHZTVULKFRQ-GOSISDBHSA-N 0 3 380.488 3.065 50 0 GGAAHN COc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCC2)cc1 ZINC000011916623 204361950 /nfs/dbraw/zinc/36/19/50/204361950.db2.gz FXTDHXTUMCXOHM-FQEVSTJZSA-N 0 3 392.455 3.369 50 0 GGAAHN COc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCC2)cc1 ZINC000011916621 204363300 /nfs/dbraw/zinc/36/33/00/204363300.db2.gz FXTDHXTUMCXOHM-HXUWFJFHSA-N 0 3 392.455 3.369 50 0 GGAAHN CCOC(=O)N1CCC(N2CCC[C@H](Nc3ccc(OC)c(OC)c3)C2)CC1 ZINC000011937494 204364684 /nfs/dbraw/zinc/36/46/84/204364684.db2.gz BGILSNHYTMGTEW-KRWDZBQOSA-N 0 3 391.512 3.201 50 0 GGAAHN CCCC[C@H]1CN(CCC(=O)NCCOc2cccnc2)Cc2ccccc2O1 ZINC000011974156 204365648 /nfs/dbraw/zinc/36/56/48/204365648.db2.gz DARRJMCTZROTMP-NRFANRHFSA-N 0 3 397.519 3.420 50 0 GGAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2csc(C)n2)CC1 ZINC000011997046 204365982 /nfs/dbraw/zinc/36/59/82/204365982.db2.gz RMVWSXKHMDFFGQ-UHFFFAOYSA-N 0 3 387.549 3.487 50 0 GGAAHN CN1CCC(CN(CCc2ccccc2)C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000012030974 204367151 /nfs/dbraw/zinc/36/71/51/204367151.db2.gz LZOLMYDQVIIPSJ-HSZRJFAPSA-N 0 3 378.516 3.403 50 0 GGAAHN COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3ccccc3OC)C2)cc1 ZINC000012022314 204367689 /nfs/dbraw/zinc/36/76/89/204367689.db2.gz KZZLWLRZDFNVNN-LJQANCHMSA-N 0 3 382.504 3.275 50 0 GGAAHN COC[C@@H](C)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000012050050 204369034 /nfs/dbraw/zinc/36/90/34/204369034.db2.gz MDXLCCIMFLCGBV-GOSISDBHSA-N 0 3 382.504 3.495 50 0 GGAAHN O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CNC1(c2ccccc2)CC1 ZINC000012111801 204373021 /nfs/dbraw/zinc/37/30/21/204373021.db2.gz IAXCVHQOOQEAJB-QFIPXVFZSA-N 0 3 386.442 3.097 50 0 GGAAHN CCCC[C@H]1CN(CCNC(=O)CCn2ccnc2CC)Cc2ccccc2O1 ZINC000012155750 204377313 /nfs/dbraw/zinc/37/73/13/204377313.db2.gz JQKWYRLDBPQLSM-FQEVSTJZSA-N 0 3 398.551 3.405 50 0 GGAAHN O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(CN2CCCC2)[nH]c1=O ZINC000012158447 204377652 /nfs/dbraw/zinc/37/76/52/204377652.db2.gz MWKALCVKNDYPCP-UHFFFAOYSA-N 0 3 394.500 3.024 50 0 GGAAHN CCCCN(C)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000012190141 204381419 /nfs/dbraw/zinc/38/14/19/204381419.db2.gz UWNHWUOIRCILPP-UHFFFAOYSA-N 0 3 385.552 3.409 50 0 GGAAHN O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(CN2CCCCC2)[nH]c1=O ZINC000012190117 204381529 /nfs/dbraw/zinc/38/15/29/204381529.db2.gz QAZGABPDSHRVDA-UHFFFAOYSA-N 0 3 383.536 3.163 50 0 GGAAHN CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1cnsn1 ZINC000012197356 204381674 /nfs/dbraw/zinc/38/16/74/204381674.db2.gz YNPKSLCMTZTGOB-HNNXBMFYSA-N 0 3 378.929 3.218 50 0 GGAAHN O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCCN1CCCn1cccn1 ZINC000012207985 204383938 /nfs/dbraw/zinc/38/39/38/204383938.db2.gz YDYLMIUHTCOCRZ-IBGZPJMESA-N 0 3 381.505 3.500 50 0 GGAAHN CCCC[C@H]1CN(CCC(=O)NCc2cn(C)nc2C)Cc2ccccc2O1 ZINC000012212978 204384503 /nfs/dbraw/zinc/38/45/03/204384503.db2.gz OFFHJZGGZJJGRT-FQEVSTJZSA-N 0 3 384.524 3.188 50 0 GGAAHN C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000012245530 204386247 /nfs/dbraw/zinc/38/62/47/204386247.db2.gz RODNHMYRYBJWRN-KRWDZBQOSA-N 0 3 398.478 3.468 50 0 GGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cn1ccc(C)n1 ZINC000012297651 204390427 /nfs/dbraw/zinc/39/04/27/204390427.db2.gz ZNJDJIFXUWKFRT-HXUWFJFHSA-N 0 3 386.515 3.134 50 0 GGAAHN COc1ccc(CC(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)cc1OC ZINC000012301748 204391091 /nfs/dbraw/zinc/39/10/91/204391091.db2.gz PDAVMKGUJDNQMV-HXUWFJFHSA-N 0 3 382.504 3.070 50 0 GGAAHN CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2cccnc2)cc1 ZINC000012297317 204391847 /nfs/dbraw/zinc/39/18/47/204391847.db2.gz XDEBFMTYUAKLPR-HSZRJFAPSA-N 0 3 391.515 3.243 50 0 GGAAHN O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](/C=C/c3ccc(F)cc3)N3CCC[C@@]123 ZINC000012305880 204393391 /nfs/dbraw/zinc/39/33/91/204393391.db2.gz SCQFVEFXYRLNFI-ROVMIQBKSA-N 0 3 377.463 3.499 50 0 GGAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1n[nH]c2c1CCC2 ZINC000012306932 204393720 /nfs/dbraw/zinc/39/37/20/204393720.db2.gz MFMCJEMUKAQQJI-UHFFFAOYSA-N 0 3 384.499 3.064 50 0 GGAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000012316997 204395803 /nfs/dbraw/zinc/39/58/03/204395803.db2.gz KXGNTTWTSLCGNB-IBGZPJMESA-N 0 3 397.567 3.156 50 0 GGAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccccn3)C2)c(OC)c1 ZINC000012319251 204397086 /nfs/dbraw/zinc/39/70/86/204397086.db2.gz UVGALHZLUXSUIH-SFHVURJKSA-N 0 3 397.519 3.407 50 0 GGAAHN COCCNC(=O)CCC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000012586366 204427147 /nfs/dbraw/zinc/42/71/47/204427147.db2.gz UXCDOEKFGCWDKI-UHFFFAOYSA-N 0 3 388.430 3.340 50 0 GGAAHN 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ZINC000012750863 1399057440 /nfs/dbraw/zinc/05/74/40/1399057440.db2.gz TTXJABAHISIDOO-LJQANCHMSA-N 0 3 395.528 3.425 50 0 GGAAHN CCN(CCN1CCCC1)C(=O)c1cc(COc2ccc(F)c(F)c2)on1 ZINC000012745732 1399057693 /nfs/dbraw/zinc/05/76/93/1399057693.db2.gz PTEXPLNRVYIXFF-UHFFFAOYSA-N 0 3 379.407 3.090 50 0 GGAAHN CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cc(C)c(OC)cc3C)C2)nn1 ZINC000014959201 1399128672 /nfs/dbraw/zinc/12/86/72/1399128672.db2.gz LDRLJKXJUJHREF-LJQANCHMSA-N 0 3 399.539 3.223 50 0 GGAAHN CC1CCN(Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)c(=O)[nH]2)CC1 ZINC000014954499 1399128866 /nfs/dbraw/zinc/12/88/66/1399128866.db2.gz IWYPSFAKYQYBHW-OAQYLSRUSA-N 0 3 379.504 3.414 50 0 GGAAHN CCOC(=O)c1cnn(-c2ccccc2Cl)c1CNCCCn1ccnc1 ZINC000014984587 1399130413 /nfs/dbraw/zinc/13/04/13/1399130413.db2.gz VTHDGCRUWSGNKU-UHFFFAOYSA-N 0 3 387.871 3.079 50 0 GGAAHN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCC[C@@H](C(N)=O)C2)o1 ZINC000015068292 1399135827 /nfs/dbraw/zinc/13/58/27/1399135827.db2.gz BNCCUJBHNDMYIP-OAHLLOKOSA-N 0 3 382.439 3.277 50 0 GGAAHN CC(C)n1cc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000019794566 1399338716 /nfs/dbraw/zinc/33/87/16/1399338716.db2.gz RKQPXXBAEIRJSP-JOCHJYFZSA-N 0 3 385.531 3.390 50 0 GGAAHN COCc1cc(=O)[n-]c(-c2ccccc2C[N@@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000019788796 1399338893 /nfs/dbraw/zinc/33/88/93/1399338893.db2.gz OMCICJKBZYGSAR-FQEVSTJZSA-N 0 3 376.460 3.315 50 0 GGAAHN COCc1cc(=O)[n-]c(-c2ccccc2C[N@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000019788796 1399338895 /nfs/dbraw/zinc/33/88/95/1399338895.db2.gz OMCICJKBZYGSAR-FQEVSTJZSA-N 0 3 376.460 3.315 50 0 GGAAHN O[C@H](COc1ccccc1CN1CCc2ccccc2C1)CN1CCSCC1 ZINC000020598741 1399349292 /nfs/dbraw/zinc/34/92/92/1399349292.db2.gz VVSIIOHASYGDEN-QFIPXVFZSA-N 0 3 398.572 3.033 50 0 GGAAHN CCN1CCN([C@H]2CCc3c(sc4ncn(C5CCCC5)c(=O)c34)C2)CC1 ZINC000020821231 1399354286 /nfs/dbraw/zinc/35/42/86/1399354286.db2.gz LNDFYXRZWPPVAR-INIZCTEOSA-N 0 3 386.565 3.068 50 0 GGAAHN CCCc1cc(=O)[n-]c(-c2ccc(CN3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC000020995651 1399360361 /nfs/dbraw/zinc/36/03/61/1399360361.db2.gz TYFYRVUUOBNQGQ-UHFFFAOYSA-N 0 3 380.536 3.450 50 0 GGAAHN CCn1cc(CN2CCC[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c(C)n1 ZINC000022912060 1399516779 /nfs/dbraw/zinc/51/67/79/1399516779.db2.gz PZIKXJIEEDDTHF-OAQYLSRUSA-N 0 3 398.551 3.251 50 0 GGAAHN OCCCNCc1cc2cc3c(cc2nc1OCc1cccc(F)c1)OCO3 ZINC000023337932 1399550225 /nfs/dbraw/zinc/55/02/25/1399550225.db2.gz VOVOSTBSQNOHDG-UHFFFAOYSA-N 0 3 384.407 3.154 50 0 GGAAHN O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[n-]1 ZINC000023338962 1399550792 /nfs/dbraw/zinc/55/07/92/1399550792.db2.gz HPAKIRYKCCUNCW-MRXNPFEDSA-N 0 3 381.863 3.324 50 0 GGAAHN O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[n-]1 ZINC000023338962 1399550794 /nfs/dbraw/zinc/55/07/94/1399550794.db2.gz HPAKIRYKCCUNCW-MRXNPFEDSA-N 0 3 381.863 3.324 50 0 GGAAHN Cn1cc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000023478409 1399563613 /nfs/dbraw/zinc/56/36/13/1399563613.db2.gz LHHXLJGIJYQBHO-HNNXBMFYSA-N 0 3 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/nfs/dbraw/zinc/22/12/59/231221259.db2.gz QBOCBNNWVMBAAH-UHFFFAOYSA-N 0 3 375.476 3.185 50 0 GGAAHN O=C1NC2(C[C@@H]1c1ccccc1)CCN(Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000426490745 231228363 /nfs/dbraw/zinc/22/83/63/231228363.db2.gz RVCWOYYXPUYSMT-GOSISDBHSA-N 0 3 376.460 3.308 50 0 GGAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000426508157 231231497 /nfs/dbraw/zinc/23/14/97/231231497.db2.gz XGDCMLLPQJULMT-KRWDZBQOSA-N 0 3 378.904 3.074 50 0 GGAAHN CN(C)C[C@H](c1ccccc1)N(C)C(=O)NCCc1nc2ccccc2n1C ZINC000426512329 231232131 /nfs/dbraw/zinc/23/21/31/231232131.db2.gz UZDYHXHPCYZUCD-HXUWFJFHSA-N 0 3 379.508 3.060 50 0 GGAAHN C[C@@H](NC(=O)N1CCN(CC2CCCC2)CC1)c1cnn(-c2ccccc2)c1 ZINC000426523369 231236165 /nfs/dbraw/zinc/23/61/65/231236165.db2.gz DYVZGGVCZBORTM-GOSISDBHSA-N 0 3 381.524 3.451 50 0 GGAAHN Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000426551957 231240954 /nfs/dbraw/zinc/24/09/54/231240954.db2.gz IYNUTPAIPYOTDB-OQBYNLHGSA-N 0 3 383.515 3.443 50 0 GGAAHN Nc1ccncc1-c1cccc(C(=O)N2CCC(CCn3cccn3)CC2)c1 ZINC000426633964 231248411 /nfs/dbraw/zinc/24/84/11/231248411.db2.gz PCWXNIGJNHXSKS-UHFFFAOYSA-N 0 3 375.476 3.300 50 0 GGAAHN CCc1cc(CN2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)n[nH]1 ZINC000426730532 529528161 /nfs/dbraw/zinc/52/81/61/529528161.db2.gz VICFCWWXTJZJEU-NRFANRHFSA-N 0 3 388.462 3.265 50 0 GGAAHN CCc1cc(CN2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)[nH]n1 ZINC000426730532 529528162 /nfs/dbraw/zinc/52/81/62/529528162.db2.gz VICFCWWXTJZJEU-NRFANRHFSA-N 0 3 388.462 3.265 50 0 GGAAHN CC[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)c1nc2cc(C)ccc2[nH]1 ZINC000426536531 529611215 /nfs/dbraw/zinc/61/12/15/529611215.db2.gz RICWABNCMYSFFT-QGZVFWFLSA-N 0 3 378.480 3.249 50 0 GGAAHN CC[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)c1nc2ccc(C)cc2[nH]1 ZINC000426536531 529611218 /nfs/dbraw/zinc/61/12/18/529611218.db2.gz RICWABNCMYSFFT-QGZVFWFLSA-N 0 3 378.480 3.249 50 0 GGAAHN CN1CC[C@](C)(CNC(=O)c2ccc(-c3ccc4c(c3)OCCC4=O)cc2)C1 ZINC000426419990 529809013 /nfs/dbraw/zinc/80/90/13/529809013.db2.gz DZMKIDWZBKYNMM-HSZRJFAPSA-N 0 3 378.472 3.390 50 0 GGAAHN Cc1ccc(CN2CCN(Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)cc1 ZINC000036385753 206264227 /nfs/dbraw/zinc/26/42/27/206264227.db2.gz ZYEJHEIQNIPHJT-XMMPIXPASA-N 0 3 390.531 3.250 50 0 GGAAHN O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1 ZINC000000643233 206311721 /nfs/dbraw/zinc/31/17/21/206311721.db2.gz DKGZKTPJOSAWFA-UHFFFAOYSA-N 0 3 395.478 3.217 50 0 in-man GGAAHN CCOC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000000895014 206331630 /nfs/dbraw/zinc/33/16/30/206331630.db2.gz PMHNFAQEFWPEAG-UHFFFAOYSA-N 0 3 383.286 3.053 50 0 GGAAHN COc1cc(C(=O)N2CCN([C@@H]3CCC[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000000783047 206320456 /nfs/dbraw/zinc/32/04/56/206320456.db2.gz FRMFDAOHDIRWBV-NVXWUHKLSA-N 0 3 376.497 3.049 50 0 GGAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000000895006 206332013 /nfs/dbraw/zinc/33/20/13/206332013.db2.gz NKOBSUNOWDPVLX-CYBMUJFWSA-N 0 3 383.286 3.053 50 0 GGAAHN O=C(NC[C@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1ccncc1 ZINC000010334081 206383933 /nfs/dbraw/zinc/38/39/33/206383933.db2.gz VIQPCVJFOQVXAP-OAQYLSRUSA-N 0 3 388.471 3.127 50 0 GGAAHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1cccc2ccccc21 ZINC000010333623 206384644 /nfs/dbraw/zinc/38/46/44/206384644.db2.gz MTBYYLWOAAMWKN-FQEVSTJZSA-N 0 3 397.425 3.476 50 0 GGAAHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1)c1cccc2ccccc21 ZINC000010333635 206385035 /nfs/dbraw/zinc/38/50/35/206385035.db2.gz QVGXBVDVIXDHHC-HXUWFJFHSA-N 0 3 379.435 3.337 50 0 GGAAHN COc1cc(CN2CCC[C@H](C(=O)N3CCCCCC3)C2)cc(OC)c1OC ZINC000001269663 206370207 /nfs/dbraw/zinc/37/02/07/206370207.db2.gz CJCWTDJNBCJPSO-SFHVURJKSA-N 0 3 390.524 3.327 50 0 GGAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCOCC1 ZINC000002100916 206398139 /nfs/dbraw/zinc/39/81/39/206398139.db2.gz ATYLIZXFQMGDRD-QFIPXVFZSA-N 0 3 377.488 3.244 50 0 biogenic GGAAHN O=C(c1ccccc1F)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000004700655 206544588 /nfs/dbraw/zinc/54/45/88/206544588.db2.gz VABOMGRPQBUJLX-UHFFFAOYSA-N 0 3 381.495 3.248 50 0 GGAAHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1F ZINC000005215916 206600795 /nfs/dbraw/zinc/60/07/95/206600795.db2.gz DHCPFRUHUVHAOD-IBGZPJMESA-N 0 3 380.419 3.429 50 0 GGAAHN CCOC(=O)c1sc2nc(SCCN3CCCCC3)nc(N)c2c1C ZINC000006719045 206665551 /nfs/dbraw/zinc/66/55/51/206665551.db2.gz FXBXSPZOUABOLF-UHFFFAOYSA-N 0 3 380.539 3.337 50 0 GGAAHN CCOc1cc(CNC[C@@H]2CCCO2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013855793 207002224 /nfs/dbraw/zinc/00/22/24/207002224.db2.gz VVIGUQFXZVEPTM-SFHVURJKSA-N 0 3 395.463 3.122 50 0 GGAAHN CCOC(=O)N1CCC(N[C@H]2C(C)=C(C)C(=O)N2Cc2ccc(F)cc2)CC1 ZINC000013944086 207004118 /nfs/dbraw/zinc/00/41/18/207004118.db2.gz INKXNNDCBMGPFZ-LJQANCHMSA-N 0 3 389.471 3.041 50 0 GGAAHN CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccs1)CC2 ZINC000014533128 207021899 /nfs/dbraw/zinc/02/18/99/207021899.db2.gz OROGXXCDZSREEG-UHFFFAOYSA-N 0 3 383.517 3.219 50 0 GGAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1ccc(C)o1)C2 ZINC000014542050 207024273 /nfs/dbraw/zinc/02/42/73/207024273.db2.gz WAEZWGLILFVCHT-QGZVFWFLSA-N 0 3 384.524 3.468 50 0 GGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1ccccc1F)CC2 ZINC000014541880 207024345 /nfs/dbraw/zinc/02/43/45/207024345.db2.gz JHCBETLAKZTRTB-INIZCTEOSA-N 0 3 396.466 3.072 50 0 GGAAHN COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000014732570 207026743 /nfs/dbraw/zinc/02/67/43/207026743.db2.gz CTKPGHJBWAJUFX-UHFFFAOYSA-N 0 3 393.487 3.124 50 0 GGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1ccc(F)cc1)CC2 ZINC000014741183 207027194 /nfs/dbraw/zinc/02/71/94/207027194.db2.gz AQCIWSOHXOGHBL-QGZVFWFLSA-N 0 3 396.466 3.072 50 0 GGAAHN Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC(C)C)CN(Cc3ccncc3)C2)cn1 ZINC000014733354 207027331 /nfs/dbraw/zinc/02/73/31/207027331.db2.gz XWIADWARPFGNJH-LEWJYISDSA-N 0 3 396.535 3.074 50 0 GGAAHN CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N(C)Cc1ccco1)CC2 ZINC000014746170 207027764 /nfs/dbraw/zinc/02/77/64/207027764.db2.gz TZZJZQSGRVBNOK-SFHVURJKSA-N 0 3 392.503 3.216 50 0 GGAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H]2CCOC2)CC1 ZINC000014953688 207033017 /nfs/dbraw/zinc/03/30/17/207033017.db2.gz FJMIPBXAOPZVBO-NRFANRHFSA-N 0 3 388.552 3.428 50 0 GGAAHN OCCOc1cccc(CN[C@@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000014956514 207033624 /nfs/dbraw/zinc/03/36/24/207033624.db2.gz QHXRYVLTQSSXNP-QGZVFWFLSA-N 0 3 383.517 3.426 50 0 GGAAHN OCCOc1cccc(CN[C@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000014956519 207033988 /nfs/dbraw/zinc/03/39/88/207033988.db2.gz QHXRYVLTQSSXNP-KRWDZBQOSA-N 0 3 383.517 3.426 50 0 GGAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cnccn2)CC1 ZINC000014964881 207034326 /nfs/dbraw/zinc/03/43/26/207034326.db2.gz WPPWTGOVMWPRAK-UHFFFAOYSA-N 0 3 396.535 3.496 50 0 GGAAHN COC[C@@H]1CCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)C1 ZINC000014965309 207034476 /nfs/dbraw/zinc/03/44/76/207034476.db2.gz JEUXMLSZZNLSTK-QGZVFWFLSA-N 0 3 390.524 3.055 50 0 GGAAHN O=C1[C@@H]2C[C@@H](CN2C2CCN(Cc3ccccc3)CC2)N1c1ccccc1F ZINC000014970925 207034495 /nfs/dbraw/zinc/03/44/95/207034495.db2.gz WGPTYGMSZNYKRZ-UGKGYDQZSA-N 0 3 379.479 3.280 50 0 GGAAHN CCc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000014968226 207035079 /nfs/dbraw/zinc/03/50/79/207035079.db2.gz DRUUVFPEBXTOLJ-FQEVSTJZSA-N 0 3 383.540 3.122 50 0 GGAAHN Cc1c(CN[C@H]2CCc3c(sc4ncn(CCC(C)C)c(=O)c34)C2)cnn1C ZINC000014996103 207038105 /nfs/dbraw/zinc/03/81/05/207038105.db2.gz FIYBKWZOGOAAGS-INIZCTEOSA-N 0 3 399.564 3.193 50 0 GGAAHN COC(=O)c1ccc(NC(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)cc1 ZINC000014981565 207038214 /nfs/dbraw/zinc/03/82/14/207038214.db2.gz IANPAZSPGGTNRB-FQEVSTJZSA-N 0 3 396.491 3.039 50 0 GGAAHN CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)nn1 ZINC000014989458 207038439 /nfs/dbraw/zinc/03/84/39/207038439.db2.gz YADCSNCWONHLPW-IBGZPJMESA-N 0 3 392.507 3.145 50 0 GGAAHN CCc1ccc(CN2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014991573 207038662 /nfs/dbraw/zinc/03/86/62/207038662.db2.gz FUMSJTSCTPUHLD-HXUWFJFHSA-N 0 3 381.524 3.350 50 0 GGAAHN CCN1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N(C3CCCC3)C2=O)CC1 ZINC000014995413 207038771 /nfs/dbraw/zinc/03/87/71/207038771.db2.gz PUHQLPBHISAZEY-JOCHJYFZSA-N 0 3 387.499 3.333 50 0 GGAAHN CCc1cc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3)on1 ZINC000014980517 207038826 /nfs/dbraw/zinc/03/88/26/207038826.db2.gz XFTFMFAEXRMYJT-QFIPXVFZSA-N 0 3 383.492 3.374 50 0 GGAAHN CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1ccc(F)cc1F)CCO2 ZINC000014992797 207039108 /nfs/dbraw/zinc/03/91/08/207039108.db2.gz CXABZHZSDLCGCZ-OAQYLSRUSA-N 0 3 376.447 3.129 50 0 GGAAHN CCc1ccc(CN2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014991575 207039344 /nfs/dbraw/zinc/03/93/44/207039344.db2.gz FUMSJTSCTPUHLD-FQEVSTJZSA-N 0 3 381.524 3.350 50 0 GGAAHN CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccccc1OC)C2 ZINC000014746892 207029656 /nfs/dbraw/zinc/02/96/56/207029656.db2.gz YOHQNNOUEJOUAG-GOSISDBHSA-N 0 3 396.535 3.185 50 0 GGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1cccc(F)c1)CC2 ZINC000014753151 207029993 /nfs/dbraw/zinc/02/99/93/207029993.db2.gz ZSPLYLVCKMSKAF-QGZVFWFLSA-N 0 3 396.466 3.072 50 0 GGAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3ccoc3C)C2)cc1OC ZINC000015069049 207044999 /nfs/dbraw/zinc/04/49/99/207044999.db2.gz XHRQYASZKZLZSI-SFHVURJKSA-N 0 3 386.492 3.384 50 0 GGAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1ccco1 ZINC000015071143 207045411 /nfs/dbraw/zinc/04/54/11/207045411.db2.gz RPHYUWTXNQWCKK-UHFFFAOYSA-N 0 3 386.492 3.289 50 0 GGAAHN CCn1cc(CN2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)c(C)n1 ZINC000015075548 207045683 /nfs/dbraw/zinc/04/56/83/207045683.db2.gz XMLWGJBGWOVTMC-QHCPKHFHSA-N 0 3 396.535 3.235 50 0 GGAAHN O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000015079410 207045827 /nfs/dbraw/zinc/04/58/27/207045827.db2.gz JJAZEEOKHQVQRH-NRFANRHFSA-N 0 3 391.515 3.250 50 0 GGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cc1ccccn1 ZINC000015064034 207042429 /nfs/dbraw/zinc/04/24/29/207042429.db2.gz YJJQXYCDSBYGIP-OAQYLSRUSA-N 0 3 395.547 3.436 50 0 GGAAHN Cc1ccc(-n2cc(CNC[C@H]3COCCO3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015065712 207043323 /nfs/dbraw/zinc/04/33/23/207043323.db2.gz IZHNKFASLLPPIT-NRFANRHFSA-N 0 3 381.451 3.492 50 0 GGAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)C1=CCCC1 ZINC000015068859 207044031 /nfs/dbraw/zinc/04/40/31/207044031.db2.gz OAVZESYRDOMLMO-UHFFFAOYSA-N 0 3 386.536 3.493 50 0 GGAAHN COc1cc(C)c(CN2CCC(=O)N(CCOc3ccccc3)CC2)cc1C ZINC000015072945 207044530 /nfs/dbraw/zinc/04/45/30/207044530.db2.gz YRNVATNSKSMKNN-UHFFFAOYSA-N 0 3 382.504 3.425 50 0 GGAAHN CCc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000018240784 207096650 /nfs/dbraw/zinc/09/66/50/207096650.db2.gz JRDFBQLDWXTYEH-NRFANRHFSA-N 0 3 391.471 3.203 50 0 GGAAHN COc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 ZINC000018240780 207097064 /nfs/dbraw/zinc/09/70/64/207097064.db2.gz AECSWLKMWFZXCG-IBGZPJMESA-N 0 3 397.862 3.294 50 0 GGAAHN COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccccc4Cl)C3=O)c2c1 ZINC000018240752 207097303 /nfs/dbraw/zinc/09/73/03/207097303.db2.gz JUVHBSSBSAGGNW-GOSISDBHSA-N 0 3 397.862 3.294 50 0 GGAAHN COc1ccccc1N1CCN(c2ncccc2CNC2CCSCC2)CC1 ZINC000019148970 207106434 /nfs/dbraw/zinc/10/64/34/207106434.db2.gz BKZXYPYRIIVUFN-UHFFFAOYSA-N 0 3 398.576 3.402 50 0 GGAAHN COc1cc(CCN2CCN(CCc3ccccc3)CC2)cc(OC)c1OC ZINC000019361104 207119041 /nfs/dbraw/zinc/11/90/41/207119041.db2.gz YUFUPTKTPNBQMW-UHFFFAOYSA-N 0 3 384.520 3.115 50 0 GGAAHN c1ccc(CN2CCC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000019636571 207143869 /nfs/dbraw/zinc/14/38/69/207143869.db2.gz ZEQLSMXBCVKDBU-UHFFFAOYSA-N 0 3 393.531 3.198 50 0 GGAAHN Cc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)C[C@@H]2CCO)o1 ZINC000019595283 207144107 /nfs/dbraw/zinc/14/41/07/207144107.db2.gz PMTSMFKRHVDVLB-QHCPKHFHSA-N 0 3 397.563 3.121 50 0 GGAAHN OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CCN1C1CCCC1 ZINC000019745481 207157473 /nfs/dbraw/zinc/15/74/73/207157473.db2.gz IJYVOONOXRMBLR-HXUWFJFHSA-N 0 3 376.928 3.427 50 0 GGAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccncc2)CN1Cc1cccc2ccccc21 ZINC000019744000 207158077 /nfs/dbraw/zinc/15/80/77/207158077.db2.gz LCOKIEDPSWUXBB-GMAHTHKFSA-N 0 3 388.515 3.104 50 0 GGAAHN CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H](NCc1ccncc1)CC2 ZINC000019839752 207166178 /nfs/dbraw/zinc/16/61/78/207166178.db2.gz RWLVWCVJBWHCOU-LJQANCHMSA-N 0 3 395.551 3.207 50 0 GGAAHN c1ccc(N2CCN([C@@H]3CCCN(Cc4ccc5c(c4)CCO5)C3)CC2)cc1 ZINC000019839138 207166194 /nfs/dbraw/zinc/16/61/94/207166194.db2.gz ABSGIMMRKBUYFI-HSZRJFAPSA-N 0 3 377.532 3.408 50 0 GGAAHN COc1ccc(CN2CCN(C3CCSCC3)C[C@@H]2CCO)c(C)c1C ZINC000019839386 207167015 /nfs/dbraw/zinc/16/70/15/207167015.db2.gz NBCVNIUPYTUBQC-FQEVSTJZSA-N 0 3 378.582 3.076 50 0 GGAAHN CCOc1cccc(CNCCN2CCOCC2)c1OCc1ccc(C)cc1 ZINC000019872379 207168252 /nfs/dbraw/zinc/16/82/52/207168252.db2.gz YNWHRXRUNROZLD-UHFFFAOYSA-N 0 3 384.520 3.395 50 0 GGAAHN Fc1ccc(N2CCN([C@@H]3CCCN(Cc4cccc5nonc54)C3)CC2)cc1 ZINC000019792688 207161556 /nfs/dbraw/zinc/16/15/56/207161556.db2.gz SPIIWFJWBKDDJK-HXUWFJFHSA-N 0 3 395.482 3.149 50 0 GGAAHN CC(C)CN1CCN(Cc2cccn2-c2ccc(Cl)cn2)C[C@@H]1CCO ZINC000019770712 207161715 /nfs/dbraw/zinc/16/17/15/207161715.db2.gz OYSLVFNTDRXNFB-SFHVURJKSA-N 0 3 376.932 3.050 50 0 GGAAHN COCc1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)ccc1OC ZINC000019787240 207161969 /nfs/dbraw/zinc/16/19/69/207161969.db2.gz LOJVIANKDSGWRI-QHCPKHFHSA-N 0 3 398.547 3.219 50 0 GGAAHN COc1cccc(CNCCN2CCOCC2)c1OCc1ccccc1Cl ZINC000019872252 207168719 /nfs/dbraw/zinc/16/87/19/207168719.db2.gz SPYWQMNEWKYBBZ-UHFFFAOYSA-N 0 3 390.911 3.349 50 0 GGAAHN Nn1c(=O)c2sc(-c3ccccc3)cc2nc1SCCN1CCCCC1 ZINC000019797133 207163292 /nfs/dbraw/zinc/16/32/92/207163292.db2.gz OMNVAYQTLNRPMN-UHFFFAOYSA-N 0 3 386.546 3.417 50 0 GGAAHN C[C@H]1CCCc2sc3nc(SCCN4CCCCC4)n(N)c(=O)c3c21 ZINC000019797062 207163386 /nfs/dbraw/zinc/16/33/86/207163386.db2.gz KIWDIUKTFZNCME-LBPRGKRZSA-N 0 3 378.567 3.190 50 0 GGAAHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccccc1 ZINC000019819126 207164239 /nfs/dbraw/zinc/16/42/39/207164239.db2.gz VGJCYXDBTWOAEH-KRWDZBQOSA-N 0 3 382.391 3.264 50 0 GGAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019817502 207164346 /nfs/dbraw/zinc/16/43/46/207164346.db2.gz BORZIWMUNYFART-APWZRJJASA-N 0 3 390.443 3.132 50 0 GGAAHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(F)c1 ZINC000019819041 207164418 /nfs/dbraw/zinc/16/44/18/207164418.db2.gz NWERSGLJVOISSZ-KRWDZBQOSA-N 0 3 382.391 3.264 50 0 GGAAHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1ccccc1 ZINC000019819128 207165271 /nfs/dbraw/zinc/16/52/71/207165271.db2.gz VGJCYXDBTWOAEH-QGZVFWFLSA-N 0 3 382.391 3.264 50 0 GGAAHN COCCN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2)n2c3ccccc3nc21 ZINC000020103395 207178179 /nfs/dbraw/zinc/17/81/79/207178179.db2.gz WOIIUUUGYQERCS-QGZVFWFLSA-N 0 3 398.850 3.253 50 0 GGAAHN COc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1Cl ZINC000019922796 207169904 /nfs/dbraw/zinc/16/99/04/207169904.db2.gz CIXVTQBZSGIERE-UHFFFAOYSA-N 0 3 390.911 3.349 50 0 GGAAHN CC(C)Cc1cc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)[nH]n1 ZINC000019939105 207172114 /nfs/dbraw/zinc/17/21/14/207172114.db2.gz ONPBRVXMZURLJQ-QHCPKHFHSA-N 0 3 381.568 3.395 50 0 GGAAHN CC(C)Cc1cc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)n[nH]1 ZINC000019939105 207172115 /nfs/dbraw/zinc/17/21/15/207172115.db2.gz ONPBRVXMZURLJQ-QHCPKHFHSA-N 0 3 381.568 3.395 50 0 GGAAHN CCOc1cc(CNCCN2CCOCC2)ccc1OCc1cccs1 ZINC000020176051 207181450 /nfs/dbraw/zinc/18/14/50/207181450.db2.gz WJHJRIZAJNZRQS-UHFFFAOYSA-N 0 3 376.522 3.148 50 0 GGAAHN CCN1CCN(CCOCCOc2ccccc2OCc2ccccc2)CC1 ZINC000020406558 207191376 /nfs/dbraw/zinc/19/13/76/207191376.db2.gz DUAQIVPBGCHEJP-UHFFFAOYSA-N 0 3 384.520 3.299 50 0 GGAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3cc(C(C)C)[nH]n3)C2)CC1 ZINC000020450271 207192824 /nfs/dbraw/zinc/19/28/24/207192824.db2.gz RRLKGRFPJIGWSE-FQEVSTJZSA-N 0 3 397.567 3.328 50 0 GGAAHN Cc1cccc(-c2ncc(CN3CCN(CCC(C)C)[C@@H](CCO)C3)cn2)c1 ZINC000020450957 207192909 /nfs/dbraw/zinc/19/29/09/207192909.db2.gz NOQKYEXBKXATCH-QFIPXVFZSA-N 0 3 382.552 3.367 50 0 GGAAHN OCC[C@H]1CN(Cc2cccn2-c2nccs2)CCN1CC1CCCCC1 ZINC000020449876 207193209 /nfs/dbraw/zinc/19/32/09/207193209.db2.gz ISZVBDCKFDBOKP-IBGZPJMESA-N 0 3 388.581 3.383 50 0 GGAAHN c1ccc(CCc2nnc3n2CCN(Cc2ccc4nccnc4c2)CC3)cc1 ZINC000020450055 207193271 /nfs/dbraw/zinc/19/32/71/207193271.db2.gz FRAYUBQHJSSUTP-UHFFFAOYSA-N 0 3 384.487 3.065 50 0 GGAAHN OCC[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CCN1C1CCCCC1 ZINC000020455305 207194505 /nfs/dbraw/zinc/19/45/05/207194505.db2.gz SFQFEAOEZWLWDJ-QFIPXVFZSA-N 0 3 386.515 3.213 50 0 GGAAHN COc1ccc(/C=C/CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020455062 207194642 /nfs/dbraw/zinc/19/46/42/207194642.db2.gz GWUDYLAZZJONIT-GPVJQRHHSA-N 0 3 380.532 3.320 50 0 GGAAHN COCCc1cc(=O)[nH]c(-c2ccc(CN(C)[C@H](C)c3ccncc3)cc2)n1 ZINC000020637051 207208794 /nfs/dbraw/zinc/20/87/94/207208794.db2.gz UMTOSSXYCXGVNQ-MRXNPFEDSA-N 0 3 378.476 3.214 50 0 GGAAHN CC(C)CCN1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@@H]1CCO ZINC000020534514 207200437 /nfs/dbraw/zinc/20/04/37/207200437.db2.gz BANDXHFOURWUCY-FQEVSTJZSA-N 0 3 384.524 3.184 50 0 GGAAHN O=C1O[C@@H]2CN(C3CSCCSC3)C[C@@H]2N1CCc1cccc(Cl)c1 ZINC000020534601 207200581 /nfs/dbraw/zinc/20/05/81/207200581.db2.gz MTHXGIROOIJOTJ-DLBZAZTESA-N 0 3 398.981 3.236 50 0 GGAAHN CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020543146 207202422 /nfs/dbraw/zinc/20/24/22/207202422.db2.gz VABSPAUUJAWYSA-KRWDZBQOSA-N 0 3 397.485 3.472 50 0 GGAAHN CN(Cc1ccccc1)[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000020540634 207203243 /nfs/dbraw/zinc/20/32/43/207203243.db2.gz ITIUJPSSMOQLQY-IBGZPJMESA-N 0 3 386.565 3.076 50 0 GGAAHN Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c(C)c1 ZINC000020781017 207214789 /nfs/dbraw/zinc/21/47/89/207214789.db2.gz OPCGENLGWAHKSZ-QGZVFWFLSA-N 0 3 393.491 3.037 50 0 GGAAHN CC(C)(C)CN1CCN(Cc2cnn(-c3cccc(Cl)c3)c2)C[C@@H]1CCO ZINC000020780115 207215176 /nfs/dbraw/zinc/21/51/76/207215176.db2.gz BOBNEEVXRCQNAM-FQEVSTJZSA-N 0 3 390.959 3.440 50 0 GGAAHN CC(=O)Nc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000020910178 207220048 /nfs/dbraw/zinc/22/00/48/207220048.db2.gz TYVPJOSFWBKBBE-XMMPIXPASA-N 0 3 392.547 3.432 50 0 GGAAHN CN(CCN1CCCCC1)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000020993353 207222731 /nfs/dbraw/zinc/22/27/31/207222731.db2.gz ZUKCMNPFYWIYLT-UHFFFAOYSA-N 0 3 394.475 3.360 50 0 GGAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000020992907 207222861 /nfs/dbraw/zinc/22/28/61/207222861.db2.gz CIROZQBCSQEPNE-MRXNPFEDSA-N 0 3 380.448 3.016 50 0 GGAAHN Cc1ccc(-n2cccn2)c(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000020996310 207223472 /nfs/dbraw/zinc/22/34/72/207223472.db2.gz XGINSEBYILGQLS-FQEVSTJZSA-N 0 3 396.560 3.311 50 0 GGAAHN FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(Cc4c[nH]cn4)C3)CC2)c1 ZINC000020993868 207223514 /nfs/dbraw/zinc/22/35/14/207223514.db2.gz YFXIEAQWLLZFBD-LJQANCHMSA-N 0 3 393.457 3.215 50 0 GGAAHN FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(Cc4cnc[nH]4)C3)CC2)c1 ZINC000020993868 207223516 /nfs/dbraw/zinc/22/35/16/207223516.db2.gz YFXIEAQWLLZFBD-LJQANCHMSA-N 0 3 393.457 3.215 50 0 GGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000021793729 207237578 /nfs/dbraw/zinc/23/75/78/207237578.db2.gz PACKSFYWQLNGIP-UHFFFAOYSA-N 0 3 399.926 3.391 50 0 GGAAHN Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 ZINC000021795157 207237597 /nfs/dbraw/zinc/23/75/97/207237597.db2.gz CIADUKXGGZWUKG-UHFFFAOYSA-N 0 3 394.523 3.438 50 0 GGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000021793644 207238254 /nfs/dbraw/zinc/23/82/54/207238254.db2.gz UDGOGMZFQUDPTD-UHFFFAOYSA-N 0 3 385.899 3.001 50 0 GGAAHN COC(=O)c1ccc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000022914478 207262937 /nfs/dbraw/zinc/26/29/37/207262937.db2.gz QPXLVBXDQLNQKL-QHCPKHFHSA-N 0 3 393.531 3.260 50 0 GGAAHN CN(Cc1ccccc1)C1(CNC(=O)CCc2cn[nH]c2)Cc2ccccc2C1 ZINC000023128863 207269273 /nfs/dbraw/zinc/26/92/73/207269273.db2.gz UFJLALHLOZHIQD-UHFFFAOYSA-N 0 3 388.515 3.128 50 0 GGAAHN CN(Cc1ccco1)Cc1ccc(-c2nc([C@H]3CCC[NH2+]C3)cc(=O)[n-]2)cc1 ZINC000023130764 207269540 /nfs/dbraw/zinc/26/95/40/207269540.db2.gz PCEMEZMBTATEDA-SFHVURJKSA-N 0 3 378.476 3.129 50 0 GGAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCc1cccnc1 ZINC000023128404 207269926 /nfs/dbraw/zinc/26/99/26/207269926.db2.gz LBGKQZSCBPAMTJ-UHFFFAOYSA-N 0 3 399.498 3.334 50 0 GGAAHN Cc1ccc2c(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc2c1C ZINC000023127129 207270051 /nfs/dbraw/zinc/27/00/51/207270051.db2.gz BCDYEECJAUMWDJ-AEFFLSMTSA-N 0 3 376.456 3.191 50 0 biogenic GGAAHN O=c1cc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2cc3c(cc2o1)CCC3 ZINC000023127134 207270432 /nfs/dbraw/zinc/27/04/32/207270432.db2.gz ORMVGDXWHFURNS-BEFAXECRSA-N 0 3 388.467 3.063 50 0 biogenic GGAAHN CCOc1cccc(CNCCN2CCOCC2)c1OCc1ccc(F)cc1 ZINC000023288733 207272218 /nfs/dbraw/zinc/27/22/18/207272218.db2.gz UGKSKJCXJSEUHC-UHFFFAOYSA-N 0 3 388.483 3.225 50 0 GGAAHN CNC(=O)[C@@H]1C[C@H](NCc2cc(F)ccc2F)CN1Cc1ccccc1Cl ZINC000023362330 207274558 /nfs/dbraw/zinc/27/45/58/207274558.db2.gz JLEXECABSWMOSY-LPHOPBHVSA-N 0 3 393.865 3.097 50 0 GGAAHN CC(C)CN1C[C@H](NCc2ccccc2C(F)(F)F)C[C@H]1C(=O)NC(C)C ZINC000023362885 207275072 /nfs/dbraw/zinc/27/50/72/207275072.db2.gz ZFSFBGBPFXXXAQ-AEFFLSMTSA-N 0 3 385.474 3.419 50 0 GGAAHN COc1cccc(-c2ccc(N3CCC(N4CCNC(=O)CC4)CC3)cc2)c1 ZINC000023339612 207275128 /nfs/dbraw/zinc/27/51/28/207275128.db2.gz QLNNMZPPOHXUSS-UHFFFAOYSA-N 0 3 379.504 3.153 50 0 GGAAHN Cc1cc(C)c(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c(-n2cccn2)c1 ZINC000023360405 207275884 /nfs/dbraw/zinc/27/58/84/207275884.db2.gz LGLVMDOJIFYNHZ-FQEVSTJZSA-N 0 3 384.568 3.404 50 0 GGAAHN C[NH2+]C1CCN(Cc2cccc(-c3nc(-c4cc(C)oc4C)cc(=O)[n-]3)c2)CC1 ZINC000023379746 207276727 /nfs/dbraw/zinc/27/67/27/207276727.db2.gz VHMCEQCXVHNPLU-UHFFFAOYSA-N 0 3 392.503 3.498 50 0 GGAAHN CCOc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(C)cc1 ZINC000022933524 207264701 /nfs/dbraw/zinc/26/47/01/207264701.db2.gz SHKLBYLNVMSPEI-UHFFFAOYSA-N 0 3 384.520 3.395 50 0 GGAAHN 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Cn1nnnc1SCCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000004670892 570391874 /nfs/dbraw/zinc/39/18/74/570391874.db2.gz NJSNJYYYFPTSRX-UHFFFAOYSA-N 0 3 389.912 3.324 50 0 GGAAHN COc1cccc(CN2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 ZINC000004703449 570395196 /nfs/dbraw/zinc/39/51/96/570395196.db2.gz SZKXSUXAAMGZDD-UHFFFAOYSA-N 0 3 395.547 3.490 50 0 GGAAHN COc1ccc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)c(OC)c1 ZINC000004712105 570396899 /nfs/dbraw/zinc/39/68/99/570396899.db2.gz OUUWRNWSMROJQV-UHFFFAOYSA-N 0 3 395.547 3.490 50 0 GGAAHN COc1cccc(C(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000004745918 570401721 /nfs/dbraw/zinc/40/17/21/570401721.db2.gz KGXHTSQDAQKAOX-UHFFFAOYSA-N 0 3 393.531 3.118 50 0 GGAAHN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O ZINC000004845856 570411644 /nfs/dbraw/zinc/41/16/44/570411644.db2.gz UXOKYRMKTXJZEN-SWEABUAFSA-N 0 3 399.472 3.477 50 0 GGAAHN COc1cccc(CNCCCN2CCOCC2)c1OCc1ccccc1F ZINC000005019634 570424433 /nfs/dbraw/zinc/42/44/33/570424433.db2.gz CRDHMBULONEEEK-UHFFFAOYSA-N 0 3 388.483 3.225 50 0 GGAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN[C@H]1CC[C@H](O)CC1 ZINC000244795005 570433559 /nfs/dbraw/zinc/43/35/59/570433559.db2.gz QXXDQCCLQRMWJT-IYARVYRRSA-N 0 3 384.524 3.052 50 0 GGAAHN CC(C)Cc1ccc(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)s1 ZINC000223393525 570463586 /nfs/dbraw/zinc/46/35/86/570463586.db2.gz QNTKTONVIXMZOF-FQEVSTJZSA-N 0 3 376.570 3.144 50 0 GGAAHN Cc1nn2cc(CNC(=O)c3cccc(CN4CCCCCC4)c3)nc2s1 ZINC000223711861 570480571 /nfs/dbraw/zinc/48/05/71/570480571.db2.gz SPJAUCOLOVOUOP-UHFFFAOYSA-N 0 3 383.521 3.405 50 0 GGAAHN O=C(NCCCc1nc2cc(F)ccc2[nH]1)C1CCN(Cc2ccco2)CC1 ZINC000223770713 570483961 /nfs/dbraw/zinc/48/39/61/570483961.db2.gz SYTPKFVCOQSHFR-UHFFFAOYSA-N 0 3 384.455 3.256 50 0 GGAAHN O=C(CN1CCCCCCC1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000223903189 570489623 /nfs/dbraw/zinc/48/96/23/570489623.db2.gz WMMDTNCQYIUMQX-PXLSRWGNSA-N 0 3 381.520 3.429 50 0 GGAAHN CCc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000006757602 570492121 /nfs/dbraw/zinc/49/21/21/570492121.db2.gz JRDFBQLDWXTYEH-OAQYLSRUSA-N 0 3 391.471 3.203 50 0 GGAAHN COc1ccc(-c2ccc(C(=O)N(C)C[C@]3(C)CCN(C)C3)cc2)cc1CO ZINC000426627828 570502684 /nfs/dbraw/zinc/50/26/84/570502684.db2.gz QOSRFXULJCCWQF-HSZRJFAPSA-N 0 3 382.504 3.268 50 0 GGAAHN Cc1nccn1CC[C@H]1CCCCN1C(=O)NCc1n[nH]c2c1CCCCC2 ZINC000426628727 570502854 /nfs/dbraw/zinc/50/28/54/570502854.db2.gz GWFPYBSSKKTXBW-QGZVFWFLSA-N 0 3 384.528 3.338 50 0 GGAAHN CCc1ccccc1NC(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 ZINC000033318536 570525044 /nfs/dbraw/zinc/52/50/44/570525044.db2.gz DTFPCZKHZMLTNQ-UHFFFAOYSA-N 0 3 394.523 3.302 50 0 GGAAHN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCN1CCCCC1 ZINC000033823602 570529296 /nfs/dbraw/zinc/52/92/96/570529296.db2.gz ONISVGVNTCDONI-UHFFFAOYSA-N 0 3 377.488 3.358 50 0 GGAAHN COc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000009062781 570547870 /nfs/dbraw/zinc/54/78/70/570547870.db2.gz ZLNFXRJXJYFCKA-UHFFFAOYSA-N 0 3 393.531 3.256 50 0 GGAAHN CSc1nn(CCCN(C)C)c2nc3sc4c(c3c(=O)n12)CCCCC4 ZINC000040283839 570562098 /nfs/dbraw/zinc/56/20/98/570562098.db2.gz AETAPWJWLHDUHC-UHFFFAOYSA-N 0 3 391.566 3.048 50 0 GGAAHN COC(=O)c1ccc(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)cc1 ZINC000011661731 570576987 /nfs/dbraw/zinc/57/69/87/570576987.db2.gz MTJIJDFBEAAWGD-OAQYLSRUSA-N 0 3 380.488 3.300 50 0 GGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1snnc1C ZINC000011662091 570577044 /nfs/dbraw/zinc/57/70/44/570577044.db2.gz WXFSCJANBQFALX-QGZVFWFLSA-N 0 3 390.528 3.402 50 0 GGAAHN Cc1ccc(-n2cc(CNCCN3CCNC3=O)c(-c3cccc(C)c3)n2)cc1 ZINC000011773381 570582546 /nfs/dbraw/zinc/58/25/46/570582546.db2.gz CBXZVGXQDWYLHP-UHFFFAOYSA-N 0 3 389.503 3.271 50 0 GGAAHN CCOc1cc(CN2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)ccc1O ZINC000011782611 570582549 /nfs/dbraw/zinc/58/25/49/570582549.db2.gz PLOJLGDOKNMGBB-SFHVURJKSA-N 0 3 390.524 3.077 50 0 GGAAHN CCOc1cc(CN2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)ccc1O ZINC000011782612 570582554 /nfs/dbraw/zinc/58/25/54/570582554.db2.gz PLOJLGDOKNMGBB-GOSISDBHSA-N 0 3 390.524 3.077 50 0 GGAAHN COC(=O)c1cccc(C(=O)N(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)c1 ZINC000011813745 570583519 /nfs/dbraw/zinc/58/35/19/570583519.db2.gz GCTDEHBYKAEDHF-NRFANRHFSA-N 0 3 392.499 3.177 50 0 GGAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)COc2ccccc2)cc1 ZINC000011815598 570583776 /nfs/dbraw/zinc/58/37/76/570583776.db2.gz HBAMOKPKIDAYHK-UHFFFAOYSA-N 0 3 396.531 3.487 50 0 GGAAHN c1ccc(Cc2noc(-c3ccc(N4CCN(CC5CC5)CC4)nc3)n2)cc1 ZINC000011839762 570586734 /nfs/dbraw/zinc/58/67/34/570586734.db2.gz VXMQNQADRSTRIY-UHFFFAOYSA-N 0 3 375.476 3.254 50 0 GGAAHN CN(Cc1ccccc1)C1(C(=O)NCCc2ccncc2)Cc2ccccc2C1 ZINC000039355007 570589539 /nfs/dbraw/zinc/58/95/39/570589539.db2.gz ACGZQOCCRQXNTA-UHFFFAOYSA-N 0 3 385.511 3.410 50 0 GGAAHN CCOCc1cc(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)ccc1OC ZINC000011874685 570589908 /nfs/dbraw/zinc/58/99/08/570589908.db2.gz SESWEXVPAWIQID-SFHVURJKSA-N 0 3 386.492 3.467 50 0 GGAAHN COc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c(OC)c1C ZINC000039413475 570591459 /nfs/dbraw/zinc/59/14/59/570591459.db2.gz SGQUZEAGIANKAS-HXUWFJFHSA-N 0 3 376.541 3.214 50 0 GGAAHN Cn1cc(/C=C/C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3)cn1 ZINC000011932882 570592996 /nfs/dbraw/zinc/59/29/96/570592996.db2.gz YWFKKHJSMZQFHO-DORXLWPQSA-N 0 3 382.483 3.087 50 0 GGAAHN Cn1cc(/C=C/C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3)cn1 ZINC000011932881 570593010 /nfs/dbraw/zinc/59/30/10/570593010.db2.gz YWFKKHJSMZQFHO-VQKOGROQSA-N 0 3 382.483 3.087 50 0 GGAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1ccccn1 ZINC000011934193 570593553 /nfs/dbraw/zinc/59/35/53/570593553.db2.gz OJLQUEVOTLDANZ-UHFFFAOYSA-N 0 3 397.519 3.091 50 0 GGAAHN O=C(Nc1ccnn1C1CCN(Cc2cc3ccccc3o2)CC1)[C@@H]1CCOC1 ZINC000011953754 570595876 /nfs/dbraw/zinc/59/58/76/570595876.db2.gz ZKOWLQUBODJYIA-QGZVFWFLSA-N 0 3 394.475 3.441 50 0 GGAAHN CCC(CC)CN1CCc2nnc([C@H](C)NC(=O)c3cccc(OC)c3)n2CC1 ZINC000011973548 570596679 /nfs/dbraw/zinc/59/66/79/570596679.db2.gz NMIRCYTYCPJABQ-INIZCTEOSA-N 0 3 399.539 3.072 50 0 GGAAHN O=C(c1coc(COc2cccc(C(F)(F)F)c2)n1)N1CCN2CCC[C@H]2C1 ZINC000012004460 570598490 /nfs/dbraw/zinc/59/84/90/570598490.db2.gz NXZYKAAQRZIUOZ-AWEZNQCLSA-N 0 3 395.381 3.193 50 0 GGAAHN CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc3ccccc31)CC2 ZINC000012023427 570598735 /nfs/dbraw/zinc/59/87/35/570598735.db2.gz XVJZBHQPZDKNRE-QGZVFWFLSA-N 0 3 391.519 3.323 50 0 GGAAHN Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012025608 570598780 /nfs/dbraw/zinc/59/87/80/570598780.db2.gz RHUBRDIPDKEHKC-OAQYLSRUSA-N 0 3 382.552 3.135 50 0 GGAAHN COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC000012022779 570599112 /nfs/dbraw/zinc/59/91/12/570599112.db2.gz VIZPSYIAIJDPPB-HXUWFJFHSA-N 0 3 382.504 3.411 50 0 GGAAHN CN1CCCN(C(=O)[C@H]2CC23CCN(Cc2nc4ccccc4s2)CC3)CC1 ZINC000012047948 570600421 /nfs/dbraw/zinc/60/04/21/570600421.db2.gz JYDHEGSXRIHZBU-QGZVFWFLSA-N 0 3 398.576 3.063 50 0 GGAAHN CN1CCCN(C(=O)[C@@H]2CC23CCN(Cc2nc4ccccc4s2)CC3)CC1 ZINC000012047946 570600453 /nfs/dbraw/zinc/60/04/53/570600453.db2.gz JYDHEGSXRIHZBU-KRWDZBQOSA-N 0 3 398.576 3.063 50 0 GGAAHN COc1ccccc1-n1cc(CN2CCC(CCC(=O)N3CCCC3)CC2)cn1 ZINC000012053398 570601702 /nfs/dbraw/zinc/60/17/02/570601702.db2.gz CJFJBLJRQAEZDH-UHFFFAOYSA-N 0 3 396.535 3.496 50 0 GGAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CCc3cnccn3)C2)cc1 ZINC000012055235 570602170 /nfs/dbraw/zinc/60/21/70/570602170.db2.gz HDVZYEKEDSKOAI-QFIPXVFZSA-N 0 3 380.536 3.389 50 0 GGAAHN COC(=O)CC[C@H](C)N1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000012056868 570602667 /nfs/dbraw/zinc/60/26/67/570602667.db2.gz YXMCMPUFXCMKOQ-KRWDZBQOSA-N 0 3 388.508 3.108 50 0 GGAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@H](c2ccccc2)CC1 ZINC000012093569 570608146 /nfs/dbraw/zinc/60/81/46/570608146.db2.gz JMPNMTWRMRBGRG-FQEVSTJZSA-N 0 3 381.524 3.174 50 0 GGAAHN CCCC[C@@H]1CN(CCC(=O)NCCCn2cccn2)Cc2ccccc2O1 ZINC000012126372 570613030 /nfs/dbraw/zinc/61/30/30/570613030.db2.gz WQRJMGYHYDHKSP-HXUWFJFHSA-N 0 3 384.524 3.233 50 0 GGAAHN O=C(NC1CC1)c1cn(CC[C@@H]2CCCCN2C/C=C/c2ccccc2)nn1 ZINC000012148751 570618124 /nfs/dbraw/zinc/61/81/24/570618124.db2.gz ZIODJKOKADZCHN-ZGBFETHSSA-N 0 3 379.508 3.128 50 0 GGAAHN C[C@H]1CCCN(Cc2ccc(C(=O)NCC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)C1 ZINC000012149835 570618202 /nfs/dbraw/zinc/61/82/02/570618202.db2.gz AIPVBDKYJOFJJK-MBAXHRRTSA-N 0 3 397.563 3.409 50 0 GGAAHN Cc1c(C(=O)NCCc2cccs2)sc2ncnc(NCCN(C)C)c12 ZINC000012219265 570627093 /nfs/dbraw/zinc/62/70/93/570627093.db2.gz ZJXUPDYXVQXPHH-UHFFFAOYSA-N 0 3 389.550 3.007 50 0 GGAAHN CCOC(=O)C1(CC2CC2)CCN(Cc2cn(CC(N)=O)c3ccccc23)CC1 ZINC000012308323 570640278 /nfs/dbraw/zinc/64/02/78/570640278.db2.gz FSZZKPCRCCNDTO-UHFFFAOYSA-N 0 3 397.519 3.072 50 0 GGAAHN CN(C(=O)C(=O)CCc1ccccc1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012314956 570640731 /nfs/dbraw/zinc/64/07/31/570640731.db2.gz SGMMMKRPAUFMPN-JOCHJYFZSA-N 0 3 390.527 3.279 50 0 GGAAHN COc1ccc(CN2CCC(=O)N(CCOc3ccccc3)CC2)c(C)c1C ZINC000012338074 570645208 /nfs/dbraw/zinc/64/52/08/570645208.db2.gz BDYUHXCMADXWRQ-UHFFFAOYSA-N 0 3 382.504 3.425 50 0 GGAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cnc(C)cn1 ZINC000012385832 570650780 /nfs/dbraw/zinc/65/07/80/570650780.db2.gz YALTVQUNKQUKCW-FQEVSTJZSA-N 0 3 396.535 3.210 50 0 GGAAHN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(Cc2ccc(CO)o2)C1 ZINC000012385864 570650837 /nfs/dbraw/zinc/65/08/37/570650837.db2.gz ZQVGJFOVMALIPU-QFIPXVFZSA-N 0 3 387.476 3.386 50 0 GGAAHN OC[C@]1(Cc2ccc(F)cc2)CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000012386784 570651225 /nfs/dbraw/zinc/65/12/25/570651225.db2.gz NFZWELVEOIONBF-QFIPXVFZSA-N 0 3 380.467 3.224 50 0 GGAAHN Cc1sc2ncnc(N3CCC[C@H](Cn4cc(C(C)(C)N)nn4)C3)c2c1C ZINC000048134999 570655824 /nfs/dbraw/zinc/65/58/24/570655824.db2.gz AYRULAMHGVKFTB-AWEZNQCLSA-N 0 3 385.541 3.010 50 0 GGAAHN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(OCCO)cc2)CC1 ZINC000012430245 570658539 /nfs/dbraw/zinc/65/85/39/570658539.db2.gz DDYXBBQZYJVMIX-UHFFFAOYSA-N 0 3 397.515 3.446 50 0 GGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCCC(=O)OC ZINC000012430895 570658928 /nfs/dbraw/zinc/65/89/28/570658928.db2.gz MMFIZSAONRBEEZ-LJQANCHMSA-N 0 3 392.515 3.272 50 0 GGAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)COc2ccccc2)C1 ZINC000012431052 570659577 /nfs/dbraw/zinc/65/95/77/570659577.db2.gz BBWZRTSTDLXZCF-FQEVSTJZSA-N 0 3 396.531 3.487 50 0 GGAAHN Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccnc2)c1 ZINC000229816878 570666742 /nfs/dbraw/zinc/66/67/42/570666742.db2.gz MEXIFCKJJODSBW-PWRODBHTSA-N 0 3 385.423 3.441 50 0 GGAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)c1 ZINC000229816878 570666746 /nfs/dbraw/zinc/66/67/46/570666746.db2.gz MEXIFCKJJODSBW-PWRODBHTSA-N 0 3 385.423 3.441 50 0 GGAAHN Cc1cccc(CN2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)n1 ZINC000012449342 570668269 /nfs/dbraw/zinc/66/82/69/570668269.db2.gz KTNZKWTYXOFPFJ-HXUWFJFHSA-N 0 3 380.536 3.478 50 0 GGAAHN CC(=O)c1ccc(OCC(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)cc1 ZINC000012457751 570669590 /nfs/dbraw/zinc/66/95/90/570669590.db2.gz HAFISCSAUDICGL-OAQYLSRUSA-N 0 3 380.488 3.391 50 0 GGAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000012459049 570670262 /nfs/dbraw/zinc/67/02/62/570670262.db2.gz CHDNHNXQEOJDOD-NRFANRHFSA-N 0 3 399.535 3.148 50 0 GGAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccncc3)C2)c(OC)c1 ZINC000012436374 570675478 /nfs/dbraw/zinc/67/54/78/570675478.db2.gz OLRWEOGCJZROKA-SFHVURJKSA-N 0 3 397.519 3.407 50 0 GGAAHN Cc1c(CNCc2cnn(-c3ccccc3C)c2)c2ccccc2n1CC(N)=O ZINC000055036455 570679762 /nfs/dbraw/zinc/67/97/62/570679762.db2.gz COGRBKQDDGXZJL-UHFFFAOYSA-N 0 3 387.487 3.219 50 0 GGAAHN Cc1cc(C)n(CCC(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)n1 ZINC000012570402 570680873 /nfs/dbraw/zinc/68/08/73/570680873.db2.gz YJFQWPSXEZCIEL-JOCHJYFZSA-N 0 3 382.552 3.446 50 0 GGAAHN O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012575589 570682280 /nfs/dbraw/zinc/68/22/80/570682280.db2.gz JMINPDTZTQKCQS-FQEVSTJZSA-N 0 3 380.488 3.171 50 0 GGAAHN Cc1cc(CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)cc(C)c1O ZINC000012583209 570684586 /nfs/dbraw/zinc/68/45/86/570684586.db2.gz DLFFDJIEQWGJMX-SFHVURJKSA-N 0 3 398.507 3.018 50 0 GGAAHN CN(Cc1nnc(-c2ccccc2)o1)C(=O)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000055200123 570686742 /nfs/dbraw/zinc/68/67/42/570686742.db2.gz YUFRWOAWULHFFI-QGZVFWFLSA-N 0 3 380.448 3.200 50 0 GGAAHN CN(Cc1nnc(-c2ccccc2)o1)C(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000055200128 570686834 /nfs/dbraw/zinc/68/68/34/570686834.db2.gz YUFRWOAWULHFFI-KRWDZBQOSA-N 0 3 380.448 3.200 50 0 GGAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2scnc2C)CC1 ZINC000012590800 570687131 /nfs/dbraw/zinc/68/71/31/570687131.db2.gz NRUWUJDOXLFHFB-UHFFFAOYSA-N 0 3 387.549 3.487 50 0 GGAAHN CC[C@H](C)c1ccccc1OCC(=O)N(C)CC1CCN(CCOC)CC1 ZINC000055211869 570687555 /nfs/dbraw/zinc/68/75/55/570687555.db2.gz CQYXEIRJTMYYMM-SFHVURJKSA-N 0 3 376.541 3.396 50 0 GGAAHN CN(C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1)C1CCN(C)CC1 ZINC000012591959 570687698 /nfs/dbraw/zinc/68/76/98/570687698.db2.gz TYQIQKJHPSRQNJ-UHFFFAOYSA-N 0 3 397.397 3.439 50 0 GGAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc3nonc32)CC1)C1CCCC1 ZINC000055226910 570688409 /nfs/dbraw/zinc/68/84/09/570688409.db2.gz OUERHBWUUWUEEK-UHFFFAOYSA-N 0 3 394.479 3.385 50 0 GGAAHN O=C1C[C@H](NCc2cc(F)ccc2-n2cccn2)CN1Cc1cccc(F)c1 ZINC000012595837 570689258 /nfs/dbraw/zinc/68/92/58/570689258.db2.gz WBAKFLDNGUJGFN-IBGZPJMESA-N 0 3 382.414 3.041 50 0 GGAAHN O=C(c1cn(CCc2ccccc2)nn1)N1CCCN(C2CCCCC2)CC1 ZINC000012612019 570690639 /nfs/dbraw/zinc/69/06/39/570690639.db2.gz OSHUFPOPCGFGGI-UHFFFAOYSA-N 0 3 381.524 3.001 50 0 GGAAHN COc1cc(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc(OC)c1OC ZINC000012631365 570693204 /nfs/dbraw/zinc/69/32/04/570693204.db2.gz ABLLBZZEEMXDSI-UHFFFAOYSA-N 0 3 376.497 3.049 50 0 GGAAHN COc1cccc(CNCc2ccc3c(c2)OCCCO3)c1OCCN(C)C ZINC000055386005 570693684 /nfs/dbraw/zinc/69/36/84/570693684.db2.gz DZIBFQPYBWTPIB-UHFFFAOYSA-N 0 3 386.492 3.087 50 0 GGAAHN CN(Cc1ccc(Sc2ncccn2)o1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000055402425 570694462 /nfs/dbraw/zinc/69/44/62/570694462.db2.gz QXJKBFJJDOPQJK-OAHLLOKOSA-N 0 3 386.521 3.444 50 0 GGAAHN O=C(NCc1nc(-c2ccccc2)no1)C1CCN(Cc2ccccc2)CC1 ZINC000057154594 570701065 /nfs/dbraw/zinc/70/10/65/570701065.db2.gz BNERKPCTCNKLGL-UHFFFAOYSA-N 0 3 376.460 3.265 50 0 GGAAHN c1ccc(-n2nnnc2Oc2cccc(CNCCOc3ccccn3)c2)cc1 ZINC000057356049 570701911 /nfs/dbraw/zinc/70/19/11/570701911.db2.gz LQWIAHOCLBLZKM-UHFFFAOYSA-N 0 3 388.431 3.018 50 0 GGAAHN CCc1cc(C(=O)N(CCc2ccc(OC)cc2)CC2CCN(C)CC2)n(C)n1 ZINC000012757086 570710098 /nfs/dbraw/zinc/71/00/98/570710098.db2.gz IGVINZZCVUPBGO-UHFFFAOYSA-N 0 3 398.551 3.018 50 0 GGAAHN COc1cccc([C@@H]2CCCN2CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000252497615 570728725 /nfs/dbraw/zinc/72/87/25/570728725.db2.gz QKURGTLPSVYOPN-IBGZPJMESA-N 0 3 380.448 3.031 50 0 GGAAHN Cc1nc(NCc2noc(Cc3ccccc3)n2)cc([C@@H]2CCCN(C)C2)n1 ZINC000063846187 570750933 /nfs/dbraw/zinc/75/09/33/570750933.db2.gz PRECMOMPNRLTKW-QGZVFWFLSA-N 0 3 378.480 3.180 50 0 GGAAHN Cc1nc(NCc2noc(Cc3ccccc3)n2)cc([C@H]2CCCN(C)C2)n1 ZINC000063846189 570751395 /nfs/dbraw/zinc/75/13/95/570751395.db2.gz PRECMOMPNRLTKW-KRWDZBQOSA-N 0 3 378.480 3.180 50 0 GGAAHN CCn1cc(-c2cc(C(=O)N3CCCN(C)C[C@H]3C)c3cc(F)ccc3n2)cn1 ZINC000063856704 570751695 /nfs/dbraw/zinc/75/16/95/570751695.db2.gz SZIYFPKAZLHISU-OAHLLOKOSA-N 0 3 395.482 3.424 50 0 GGAAHN CCn1cc(-c2cc(C(=O)N3CCCN(C)C[C@@H]3C)c3ccc(F)cc3n2)cn1 ZINC000063881997 570752773 /nfs/dbraw/zinc/75/27/73/570752773.db2.gz KSXZISSXQMHQJL-HNNXBMFYSA-N 0 3 395.482 3.424 50 0 GGAAHN Cc1ccccc1CN(CCN(C)C)C(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000063883406 570752804 /nfs/dbraw/zinc/75/28/04/570752804.db2.gz QLZLROLLFSTPNB-UHFFFAOYSA-N 0 3 381.451 3.180 50 0 GGAAHN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)C1CCN(C)CC1 ZINC000036616518 570752846 /nfs/dbraw/zinc/75/28/46/570752846.db2.gz ZOWJPHFDJQIEPI-UHFFFAOYSA-N 0 3 377.492 3.284 50 0 GGAAHN COc1ccc(-c2cc(C(F)F)nc(N3CCN4CCC[C@@H]4C3)n2)cc1OC ZINC000036614001 570758009 /nfs/dbraw/zinc/75/80/09/570758009.db2.gz WCCCZKDASGKOQP-CQSZACIVSA-N 0 3 390.434 3.383 50 0 GGAAHN CSc1cccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c1 ZINC000065362113 570759789 /nfs/dbraw/zinc/75/97/89/570759789.db2.gz BMRWKWIDDMPRHV-UHFFFAOYSA-N 0 3 386.525 3.341 50 0 GGAAHN CCNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc(C)n1 ZINC000065362735 570760142 /nfs/dbraw/zinc/76/01/42/570760142.db2.gz AOCPZDGKXDXELD-UHFFFAOYSA-N 0 3 394.306 3.486 50 0 GGAAHN CCNc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(C)n1 ZINC000065362717 570760285 /nfs/dbraw/zinc/76/02/85/570760285.db2.gz XFISGNPWUZXAKB-UHFFFAOYSA-N 0 3 381.524 3.477 50 0 GGAAHN COc1cccc(CC2(CO)CCN(Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000013596492 570761319 /nfs/dbraw/zinc/76/13/19/570761319.db2.gz DWTHSDWOMJZRQQ-UHFFFAOYSA-N 0 3 382.504 3.471 50 0 GGAAHN CC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCC[C@](C)(O)C3)cc2)c1 ZINC000065398691 570766186 /nfs/dbraw/zinc/76/61/86/570766186.db2.gz SRWXVNUFNCCJHS-QFIPXVFZSA-N 0 3 381.476 3.244 50 0 GGAAHN Cc1ccc(NC(=O)CCN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000065404399 570766333 /nfs/dbraw/zinc/76/63/33/570766333.db2.gz KXGJWCFLQXTZNK-AWEZNQCLSA-N 0 3 378.469 3.217 50 0 GGAAHN COc1ccc(-c2cc([C@H]3CCN(Cc4cnc(N)nc4)C3)ccn2)cc1C ZINC000065410925 570767588 /nfs/dbraw/zinc/76/75/88/570767588.db2.gz CJBSQFONQZLILU-IBGZPJMESA-N 0 3 375.476 3.427 50 0 GGAAHN O[C@@H](CNCc1cccc(Oc2nnnn2-c2ccccc2)c1)c1ccccc1 ZINC000013717676 570779703 /nfs/dbraw/zinc/77/97/03/570779703.db2.gz YAZOFTNTURRQNE-NRFANRHFSA-N 0 3 387.443 3.278 50 0 GGAAHN Cc1ccc2cc(C3(O)CCN(Cc4ccccc4OCCO)CC3)ccc2n1 ZINC000067458130 570779899 /nfs/dbraw/zinc/77/98/99/570779899.db2.gz BMXMURGOGQOIOZ-UHFFFAOYSA-N 0 3 392.499 3.398 50 0 GGAAHN CN(C)CCNc1nc2sc3c(c2c2nc(-c4ccccc4)nn21)CCC3 ZINC000013728700 570782133 /nfs/dbraw/zinc/78/21/33/570782133.db2.gz JKYGOYYXFKOXIU-UHFFFAOYSA-N 0 3 378.505 3.468 50 0 GGAAHN CCc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 ZINC000067601791 570782531 /nfs/dbraw/zinc/78/25/31/570782531.db2.gz WPCKFKCITGZRFS-UHFFFAOYSA-N 0 3 393.535 3.300 50 0 GGAAHN Cc1nc(NCCNC(=O)c2cccc3ccccc32)cc(N2CCCC2)n1 ZINC000067603665 570782650 /nfs/dbraw/zinc/78/26/50/570782650.db2.gz WWRIHKWFCMVIQQ-UHFFFAOYSA-N 0 3 375.476 3.380 50 0 GGAAHN CN1CCC(Oc2ccc(NC(=O)CCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000067612337 570783886 /nfs/dbraw/zinc/78/38/86/570783886.db2.gz JIVCAYCRKNBNIT-UHFFFAOYSA-N 0 3 382.460 3.460 50 0 GGAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccc(-n4ccnc4)cc3)cnn2c1 ZINC000067642019 570784254 /nfs/dbraw/zinc/78/42/54/570784254.db2.gz YFJQFSMKYVYGCN-UHFFFAOYSA-N 0 3 389.463 3.009 50 0 GGAAHN NC1(C(=O)N2CCOc3c(O)cc(-c4csc5ccccc54)cc3C2)CC1 ZINC000067677761 570785867 /nfs/dbraw/zinc/78/58/67/570785867.db2.gz CXAYKESTOSXKKD-UHFFFAOYSA-N 0 3 380.469 3.486 50 0 GGAAHN c1nnnn1CCCN1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067676724 570785997 /nfs/dbraw/zinc/78/59/97/570785997.db2.gz AKCWSPJIKAOWEB-UHFFFAOYSA-N 0 3 385.475 3.179 50 0 GGAAHN Cc1ccccc1N1CCN(c2ncccc2CN[C@@H](C)Cn2cccn2)CC1 ZINC000067714228 570787976 /nfs/dbraw/zinc/78/79/76/570787976.db2.gz MMDJEDYNDWNLKY-FQEVSTJZSA-N 0 3 390.535 3.091 50 0 GGAAHN Cc1c(CNCc2c[nH]nc2-c2cccs2)c2ccccc2n1CC(N)=O ZINC000067743279 570789640 /nfs/dbraw/zinc/78/96/40/570789640.db2.gz VOEAINMKNYNCCO-UHFFFAOYSA-N 0 3 379.489 3.176 50 0 GGAAHN O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C[C@H]2CCCO2)CC1 ZINC000067742767 570789771 /nfs/dbraw/zinc/78/97/71/570789771.db2.gz HYPLWIGQTHRAHY-HXUWFJFHSA-N 0 3 382.508 3.270 50 0 GGAAHN O=C(Nc1ccnn1C1CCN(C[C@H]2CCCO2)CC1)Nc1cccc(F)c1 ZINC000067833884 570792889 /nfs/dbraw/zinc/79/28/89/570792889.db2.gz DBKJDVFWCRQUNZ-GOSISDBHSA-N 0 3 387.459 3.482 50 0 GGAAHN CN(C[C@]1(C)CCN(C)C1)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000067847214 570794235 /nfs/dbraw/zinc/79/42/35/570794235.db2.gz AMALDKACZMVJJA-JOCHJYFZSA-N 0 3 394.475 3.216 50 0 GGAAHN COc1cccc(CNC[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000067909223 570796733 /nfs/dbraw/zinc/79/67/33/570796733.db2.gz IXUHIHWQADKBGX-XMMPIXPASA-N 0 3 396.531 3.462 50 0 GGAAHN O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1ccc2cc[nH]c2c1 ZINC000067910272 570796924 /nfs/dbraw/zinc/79/69/24/570796924.db2.gz GYSHYLZWLRSIQW-DEOSSOPVSA-N 0 3 391.515 3.244 50 0 GGAAHN CCN(CC)Cc1cnc2c(C(=O)NCc3nc4ccccc4s3)cnn2c1 ZINC000067935454 570797809 /nfs/dbraw/zinc/79/78/09/570797809.db2.gz JKABZCGXZGIDDT-UHFFFAOYSA-N 0 3 394.504 3.111 50 0 GGAAHN CSc1ccccc1OCc1cc(C(=O)N(C)C[C@@]2(C)CCN(C)C2)no1 ZINC000067947306 570797895 /nfs/dbraw/zinc/79/78/95/570797895.db2.gz ZJMOHAGGZVHZPI-FQEVSTJZSA-N 0 3 389.521 3.389 50 0 GGAAHN NC1(C(=O)N2CCc3[nH]nc(C(c4ccccc4)c4ccccc4)c3C2)CCC1 ZINC000067947548 570797961 /nfs/dbraw/zinc/79/79/61/570797961.db2.gz LLWYZXXUGDNWLN-UHFFFAOYSA-N 0 3 386.499 3.356 50 0 GGAAHN CCN(CC)Cc1cnc2c(C(=O)N3CCCC[C@H]3c3cccnc3)cnn2c1 ZINC000067967562 570798996 /nfs/dbraw/zinc/79/89/96/570798996.db2.gz CAPUAGSJRHFDNS-FQEVSTJZSA-N 0 3 392.507 3.334 50 0 GGAAHN Cc1nn(C)c(C)c1CN1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071498194 570838617 /nfs/dbraw/zinc/83/86/17/570838617.db2.gz SKRNBXBCRGGRHF-NRFANRHFSA-N 0 3 386.515 3.435 50 0 GGAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000102005373 570840393 /nfs/dbraw/zinc/84/03/93/570840393.db2.gz JSTGERLJWPAZMN-QHAWAJNXSA-N 0 3 385.423 3.441 50 0 GGAAHN CC(C)[C@H]1CN(CC(=O)N2CCCCC2)CCCN1Cc1ccc(F)cc1 ZINC000071551842 570840482 /nfs/dbraw/zinc/84/04/82/570840482.db2.gz YCGQAEJPSYCTSN-OAQYLSRUSA-N 0 3 375.532 3.371 50 0 GGAAHN CNC(=O)c1cccnc1N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071754048 570847794 /nfs/dbraw/zinc/84/77/94/570847794.db2.gz OYZMIPOZMVEPTM-FQEVSTJZSA-N 0 3 384.499 3.317 50 0 GGAAHN CNC(=O)c1cccnc1N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071754049 570848181 /nfs/dbraw/zinc/84/81/81/570848181.db2.gz OYZMIPOZMVEPTM-HXUWFJFHSA-N 0 3 384.499 3.317 50 0 GGAAHN C[C@H](CCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(C)CC1 ZINC000071762650 570850252 /nfs/dbraw/zinc/85/02/52/570850252.db2.gz OKSVAGJHHDOMJH-QGZVFWFLSA-N 0 3 382.552 3.079 50 0 GGAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)c1 ZINC000102730893 570859425 /nfs/dbraw/zinc/85/94/25/570859425.db2.gz OJHPYDFJLAURAB-PCCBWWKXSA-N 0 3 385.423 3.441 50 0 GGAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@@H]3C2=O)c1 ZINC000102736204 570859808 /nfs/dbraw/zinc/85/98/08/570859808.db2.gz MEXIFCKJJODSBW-PCCBWWKXSA-N 0 3 385.423 3.441 50 0 GGAAHN CN(C(=O)COc1ccccc1O)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000072121104 570867200 /nfs/dbraw/zinc/86/72/00/570867200.db2.gz IOQZQOSUMJDASL-HXUWFJFHSA-N 0 3 382.504 3.327 50 0 GGAAHN CN(CCc1ccccc1)C1(C(=O)N[C@@H]2CCSC2)Cc2ccccc2C1 ZINC000072126415 570867613 /nfs/dbraw/zinc/86/76/13/570867613.db2.gz NCXJUGKQQIELKH-OAQYLSRUSA-N 0 3 380.557 3.320 50 0 GGAAHN COc1ccc([C@@H]2CN(Cc3cncn3C3CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072128974 570868032 /nfs/dbraw/zinc/86/80/32/570868032.db2.gz RIYFGVRPVCDZJE-YTFSRNRJSA-N 0 3 378.520 3.289 50 0 GGAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1 ZINC000072140009 570869933 /nfs/dbraw/zinc/86/99/33/570869933.db2.gz CFIJMQFODIOXPE-UHFFFAOYSA-N 0 3 398.486 3.187 50 0 GGAAHN O=C(CN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1)N1CCOCC1 ZINC000072144460 570871019 /nfs/dbraw/zinc/87/10/19/570871019.db2.gz YFNRCUDSMCGJIP-INIZCTEOSA-N 0 3 384.442 3.209 50 0 GGAAHN CN(CCc1ccccc1)C1(C(=O)NCc2nccs2)Cc2ccccc2C1 ZINC000072147021 570872328 /nfs/dbraw/zinc/87/23/28/570872328.db2.gz LKXJUIQYAWDBFG-UHFFFAOYSA-N 0 3 391.540 3.471 50 0 GGAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cnn(CC)c1 ZINC000015061812 570874502 /nfs/dbraw/zinc/87/45/02/570874502.db2.gz VASYSDRUJHBYSF-IBGZPJMESA-N 0 3 386.515 3.459 50 0 GGAAHN O=C(CCC1CCN(Cc2c[nH]nc2-c2ccccc2)CC1)NC[C@H]1CCCO1 ZINC000015061961 570874662 /nfs/dbraw/zinc/87/46/62/570874662.db2.gz UESPARQIDSFYDN-OAQYLSRUSA-N 0 3 396.535 3.364 50 0 GGAAHN Cc1ccc(C(=O)N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)cc1O ZINC000072163767 570875794 /nfs/dbraw/zinc/87/57/94/570875794.db2.gz OCJFPDHEASKTFW-NRFANRHFSA-N 0 3 379.504 3.470 50 0 GGAAHN Cc1ccccc1[C@H](CNc1nc(-c2ccncc2)nc2c1cnn2C)N(C)C ZINC000072165896 570876455 /nfs/dbraw/zinc/87/64/55/570876455.db2.gz DMDUOSOJBOCNGM-IBGZPJMESA-N 0 3 387.491 3.449 50 0 GGAAHN Cc1ccc(CN2CCN(Cc3ccc(CN4CCCC4)s3)CC2=O)cc1 ZINC000072165302 570876520 /nfs/dbraw/zinc/87/65/20/570876520.db2.gz LDJFUBWFTGSLHT-UHFFFAOYSA-N 0 3 383.561 3.497 50 0 GGAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000004574433 570898829 /nfs/dbraw/zinc/89/88/29/570898829.db2.gz QRFSVZMREFMYKU-UHFFFAOYSA-N 0 3 399.322 3.331 50 0 GGAAHN CCc1ccc(CN2CC[C@]3(OC)CC[C@@H](NC(=O)c4ccncc4)C[C@H]23)o1 ZINC000534577677 570901658 /nfs/dbraw/zinc/90/16/58/570901658.db2.gz VYKFIBNKMIPGNY-PIPMEXSNSA-N 0 3 383.492 3.179 50 0 GGAAHN O=C(NCC1(CN2CCCC2)CC1)N1CCC[C@H](C(=O)c2cccs2)C1 ZINC000534638458 570912217 /nfs/dbraw/zinc/91/22/17/570912217.db2.gz QHBZOVSMRGXNHQ-INIZCTEOSA-N 0 3 375.538 3.228 50 0 GGAAHN COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1F ZINC000023127643 570912978 /nfs/dbraw/zinc/91/29/78/570912978.db2.gz BHPAEDJWVJLQAU-UHFFFAOYSA-N 0 3 392.496 3.025 50 0 GGAAHN Cc1nnc(CN(C)C(=O)NC[C@@H](c2ccccc2C)N2CCC(C)CC2)o1 ZINC000534651823 570914263 /nfs/dbraw/zinc/91/42/63/570914263.db2.gz JGOPMGOPOUHAFA-IBGZPJMESA-N 0 3 385.512 3.301 50 0 GGAAHN CCCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(Cc3ccc(OC)cc3F)[C@H]2C1 ZINC000534666102 570919401 /nfs/dbraw/zinc/91/94/01/570919401.db2.gz ALMVRNNISRGULD-LKUPVBHCSA-N 0 3 378.488 3.263 50 0 GGAAHN CCN1CCC[C@H](NC(=O)N(Cc2cccnc2)Cc2ccccc2OC)C1 ZINC000534667741 570919869 /nfs/dbraw/zinc/91/98/69/570919869.db2.gz NWWFBBMPRQDUBO-FQEVSTJZSA-N 0 3 382.508 3.286 50 0 GGAAHN CO[C@]12CCN(CC3=Cc4cc(Cl)ccc4OC3)[C@H]1C[C@H](NC(C)=O)CC2 ZINC000534670776 570920253 /nfs/dbraw/zinc/92/02/53/570920253.db2.gz RHAZAZKITYCVJK-HLAWJBBLSA-N 0 3 390.911 3.264 50 0 GGAAHN CN1CCC(CN(CCc2ccccc2)C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000012030969 570956359 /nfs/dbraw/zinc/95/63/59/570956359.db2.gz LZOLMYDQVIIPSJ-QHCPKHFHSA-N 0 3 378.516 3.403 50 0 GGAAHN CC(C)c1nc2oc3c(ncnc3N3CCNCC3)c2c2c1COC(C)(C)C2 ZINC000002199691 570997239 /nfs/dbraw/zinc/99/72/39/570997239.db2.gz MJESHXFWHOQVNC-UHFFFAOYSA-N 0 3 381.480 3.155 50 0 GGAAHN Cc1nc2cc(CC(=O)N3C[C@@H](c4ccc(C)cc4)[C@H](N(C)C)C3)ccc2[nH]1 ZINC000095523280 571088764 /nfs/dbraw/zinc/08/87/64/571088764.db2.gz OIKVNDABBSMWGR-SIKLNZKXSA-N 0 3 376.504 3.278 50 0 GGAAHN Cc1nc2ccc(CC(=O)N3C[C@@H](c4ccc(C)cc4)[C@H](N(C)C)C3)cc2[nH]1 ZINC000095523280 571088765 /nfs/dbraw/zinc/08/87/65/571088765.db2.gz OIKVNDABBSMWGR-SIKLNZKXSA-N 0 3 376.504 3.278 50 0 GGAAHN CCOC(=O)C1=C(CN2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000054979047 1406863450 /nfs/dbraw/zinc/86/34/50/1406863450.db2.gz UISKASFIXQBFMN-VWKPWSFCSA-N 0 3 399.535 3.452 50 0 GGAAHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3)cc2)CC1 ZINC000004123069 1398381794 /nfs/dbraw/zinc/38/17/94/1398381794.db2.gz OKOIUXUWFWEWSI-UHFFFAOYSA-N 0 3 382.533 3.264 50 0 GGAAHN CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccncc1 ZINC000004271593 1398387817 /nfs/dbraw/zinc/38/78/17/1398387817.db2.gz UXOIKKLVGGJQRR-IBGZPJMESA-N 0 3 395.434 3.214 50 0 GGAAHN CC(C)C(=O)NC[C@H]1CCC2(CCN(Cc3cnn(-c4ccccc4)c3)CC2)O1 ZINC000011788796 1399012471 /nfs/dbraw/zinc/01/24/71/1399012471.db2.gz JGBKSBMMYAXPHI-OAQYLSRUSA-N 0 3 396.535 3.158 50 0 GGAAHN COc1ncc(CN2CC[C@@]3(C2)CCCN(CCC2CCCCC2)C3=O)cn1 ZINC000011814889 1399013755 /nfs/dbraw/zinc/01/37/55/1399013755.db2.gz KKODEXHDGHOJOZ-JOCHJYFZSA-N 0 3 386.540 3.270 50 0 GGAAHN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000011821651 1399014083 /nfs/dbraw/zinc/01/40/83/1399014083.db2.gz OQIQUDSFPUUZRY-SFHVURJKSA-N 0 3 382.464 3.329 50 0 GGAAHN CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000011821650 1399014469 /nfs/dbraw/zinc/01/44/69/1399014469.db2.gz OQIQUDSFPUUZRY-GOSISDBHSA-N 0 3 382.464 3.329 50 0 GGAAHN CCc1noc(C)c1C(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000011817244 1399014630 /nfs/dbraw/zinc/01/46/30/1399014630.db2.gz XPFIJVFKFDDQRU-IBGZPJMESA-N 0 3 382.508 3.315 50 0 GGAAHN C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3nc4ccccc4s3)c(=O)[nH]2)C1 ZINC000011869534 1399015918 /nfs/dbraw/zinc/01/59/18/1399015918.db2.gz AKXBBBIWBTYMRN-CQSZACIVSA-N 0 3 396.516 3.147 50 0 GGAAHN CCOc1ccc(CN2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cc1CO ZINC000011938255 1399018170 /nfs/dbraw/zinc/01/81/70/1399018170.db2.gz MMAUBMKCEBQONS-LJQANCHMSA-N 0 3 384.476 3.383 50 0 GGAAHN COc1cccc2ccc(CN3CCC[C@@H](CCC(=O)N4CCOCC4)C3)nc21 ZINC000011957059 1399020231 /nfs/dbraw/zinc/02/02/31/1399020231.db2.gz MBVZMXOUSJCIJD-SFHVURJKSA-N 0 3 397.519 3.094 50 0 GGAAHN CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cccc4cccnc43)C2)nn1 ZINC000012037694 1399024543 /nfs/dbraw/zinc/02/45/43/1399024543.db2.gz ADQGYPUJZISQBQ-IBGZPJMESA-N 0 3 392.507 3.145 50 0 GGAAHN C[C@@H]1CCCCN1Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1 ZINC000012185053 1399032609 /nfs/dbraw/zinc/03/26/09/1399032609.db2.gz VBPXSQVFEPHGCF-MRXNPFEDSA-N 0 3 390.487 3.228 50 0 GGAAHN Cc1ncc(CN2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)cn1 ZINC000012372823 1399040048 /nfs/dbraw/zinc/04/00/48/1399040048.db2.gz NGPLARKOGDJEHK-OAQYLSRUSA-N 0 3 386.446 3.078 50 0 GGAAHN O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)c1[nH]nc2ccccc21 ZINC000012433303 1399041967 /nfs/dbraw/zinc/04/19/67/1399041967.db2.gz RYLVSQSVZNENJU-QGZVFWFLSA-N 0 3 390.487 3.140 50 0 GGAAHN O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1cn(C2CCCCC2)nn1 ZINC000012581996 1399048694 /nfs/dbraw/zinc/04/86/94/1399048694.db2.gz ULMFAYKJTAIHBV-LJQANCHMSA-N 0 3 381.524 3.393 50 0 GGAAHN Fc1cccc(-c2cnnc(N3CCN([C@H]4CCc5ccccc5C4)CC3)n2)c1 ZINC000012582860 1399049199 /nfs/dbraw/zinc/04/91/99/1399049199.db2.gz RDIAMWNNEQDMQU-NRFANRHFSA-N 0 3 389.478 3.357 50 0 GGAAHN Cc1ccc(F)cc1CNC[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012702444 1399053773 /nfs/dbraw/zinc/05/37/73/1399053773.db2.gz UIOXCFHMDKPXRH-OAQYLSRUSA-N 0 3 392.421 3.056 50 0 GGAAHN Cc1ccc(F)cc1CNC[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012702437 1399053941 /nfs/dbraw/zinc/05/39/41/1399053941.db2.gz UIOXCFHMDKPXRH-NRFANRHFSA-N 0 3 392.421 3.056 50 0 GGAAHN CCN1CCC[C@@H]1CNC(=O)c1coc(COc2ccc(F)cc2Cl)n1 ZINC000014958355 1399128935 /nfs/dbraw/zinc/12/89/35/1399128935.db2.gz ILKOFAFPBHQIDN-CYBMUJFWSA-N 0 3 381.835 3.260 50 0 GGAAHN CCCCN(Cc1ccccc1)Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(=O)[nH]1 ZINC000014996297 1399130294 /nfs/dbraw/zinc/13/02/94/1399130294.db2.gz QDSSWGAOSJGVJB-FQEVSTJZSA-N 0 3 397.519 3.086 50 0 GGAAHN Cc1nnc(SCC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)s1 ZINC000020599377 1399349585 /nfs/dbraw/zinc/34/95/85/1399349585.db2.gz JBFBHXYNDQAOJR-KRWDZBQOSA-N 0 3 390.578 3.152 50 0 GGAAHN O=C(CCN1CC[C@H](c2ccc3c(c2)OCO3)C1)c1ccc2c(c1)OCCO2 ZINC000022216137 1399445181 /nfs/dbraw/zinc/44/51/81/1399445181.db2.gz URQRSYRFKGGKGY-KRWDZBQOSA-N 0 3 381.428 3.249 50 0 GGAAHN O=c1cc(C2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)nc[n-]1 ZINC000023145300 1399534959 /nfs/dbraw/zinc/53/49/59/1399534959.db2.gz DJEABLOJSNEERU-UHFFFAOYSA-N 0 3 376.460 3.124 50 0 GGAAHN COc1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cc(Cl)c1[O-] ZINC000023153265 1399535571 /nfs/dbraw/zinc/53/55/71/1399535571.db2.gz MZTWCCZSMPTOAR-KRWDZBQOSA-N 0 3 382.932 3.256 50 0 GGAAHN COc1cc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)cc(Cl)c1[O-] ZINC000023153265 1399535576 /nfs/dbraw/zinc/53/55/76/1399535576.db2.gz MZTWCCZSMPTOAR-KRWDZBQOSA-N 0 3 382.932 3.256 50 0 GGAAHN O=c1cc(C2CCCC2)nc(-c2ccc(CN3CC[N@@H+]4CCC[C@@H]4C3)cc2)[n-]1 ZINC000023192943 1399537822 /nfs/dbraw/zinc/53/78/22/1399537822.db2.gz NGBQYJHHXAAPGP-HXUWFJFHSA-N 0 3 378.520 3.375 50 0 GGAAHN O=c1cc(C2CCCC2)nc(-c2ccc(CN3CC[N@H+]4CCC[C@@H]4C3)cc2)[n-]1 ZINC000023192943 1399537825 /nfs/dbraw/zinc/53/78/25/1399537825.db2.gz NGBQYJHHXAAPGP-HXUWFJFHSA-N 0 3 378.520 3.375 50 0 GGAAHN Cc1cc(=O)[n-]c(CNC(=O)c2ccc([C@H]3CCC[N@@H+]3C3CCCC3)s2)n1 ZINC000023250993 1399544514 /nfs/dbraw/zinc/54/45/14/1399544514.db2.gz UGJBSAVONKZEOE-OAHLLOKOSA-N 0 3 386.521 3.149 50 0 GGAAHN Cc1cc(=O)[n-]c(CNC(=O)c2ccc([C@H]3CCC[N@H+]3C3CCCC3)s2)n1 ZINC000023250993 1399544520 /nfs/dbraw/zinc/54/45/20/1399544520.db2.gz UGJBSAVONKZEOE-OAHLLOKOSA-N 0 3 386.521 3.149 50 0 GGAAHN Cc1c(CN2CCN(c3ccccc3C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023281178 1399547196 /nfs/dbraw/zinc/54/71/96/1399547196.db2.gz MENJYIGWJYHWCN-UHFFFAOYSA-N 0 3 376.504 3.115 50 0 GGAAHN CCCn1ncc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1C ZINC000023360687 1399552965 /nfs/dbraw/zinc/55/29/65/1399552965.db2.gz CRTNSWILELHMDV-QHCPKHFHSA-N 0 3 384.568 3.103 50 0 GGAAHN O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[n-]1 ZINC000048428235 1405188233 /nfs/dbraw/zinc/18/82/33/1405188233.db2.gz HPAKIRYKCCUNCW-INIZCTEOSA-N 0 3 381.863 3.324 50 0 GGAAHN O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[n-]1 ZINC000048428235 1405188241 /nfs/dbraw/zinc/18/82/41/1405188241.db2.gz HPAKIRYKCCUNCW-INIZCTEOSA-N 0 3 381.863 3.324 50 0 GGAAHN Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]2CCCN21 ZINC000057121070 1407524775 /nfs/dbraw/zinc/52/47/75/1407524775.db2.gz HMWRHXHEXYTHQM-CECAUBDESA-N 0 3 379.435 3.405 50 0 GGAAHN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286554 1409064551 /nfs/dbraw/zinc/06/45/51/1409064551.db2.gz XSPQMMLPWBGKCO-FQEVSTJZSA-N 0 3 385.508 3.296 50 0 GGAAHN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000067286550 1409064636 /nfs/dbraw/zinc/06/46/36/1409064636.db2.gz XSPQMMLPWBGKCO-HXUWFJFHSA-N 0 3 385.508 3.296 50 0 GGAAHN Cc1ncc(CO)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)c1[O-] ZINC000067654775 1409199042 /nfs/dbraw/zinc/19/90/42/1409199042.db2.gz WMHJXQVJEINAOP-GOSISDBHSA-N 0 3 392.503 3.281 50 0 GGAAHN Cc1ncc(CO)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)c1[O-] ZINC000067654775 1409199050 /nfs/dbraw/zinc/19/90/50/1409199050.db2.gz WMHJXQVJEINAOP-GOSISDBHSA-N 0 3 392.503 3.281 50 0 GGAAHN c1ccc2c(c1)[nH]c1c2CCN(c2nc(-c3cccnc3)nc3c2CCNC3)C1 ZINC000071422466 1409823434 /nfs/dbraw/zinc/82/34/34/1409823434.db2.gz GVZNLHLLBJRYQN-UHFFFAOYSA-N 0 3 382.471 3.228 50 0 GGAAHN COc1ccc2ccc(OCc3nc(C(=O)N4C[C@@H](C)NC[C@@H]4C)co3)cc2c1 ZINC000071613799 1409823787 /nfs/dbraw/zinc/82/37/87/1409823787.db2.gz PLWNYDDTXMINGK-CABCVRRESA-N 0 3 395.459 3.238 50 0 GGAAHN CCN(CC)CCCN1C(=O)c2ccccc2[C@@H]1S(=O)(=O)c1ccccc1 ZINC000096027042 1410322791 /nfs/dbraw/zinc/32/27/91/1410322791.db2.gz DCEHHSHWHMVWKS-NRFANRHFSA-N 0 3 386.517 3.347 50 0 GGAAHN CNC(=O)c1ccc(Cl)c(NC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000162584151 1424869285 /nfs/dbraw/zinc/86/92/85/1424869285.db2.gz CPRSPKLIGQPRTH-UHFFFAOYSA-N 0 3 378.904 3.182 50 0 GGAAHN O=C(c1ccc2nsnc2c1)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225688698 1433367669 /nfs/dbraw/zinc/36/76/69/1433367669.db2.gz NTLZQPZQJPGMSJ-UHFFFAOYSA-N 0 3 384.530 3.416 50 0 GGAAHN O=C(c1cc(-c2ccco2)n[nH]1)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225689522 1433367730 /nfs/dbraw/zinc/36/77/30/1433367730.db2.gz LFWXTYNYDLQIGR-UHFFFAOYSA-N 0 3 382.489 3.394 50 0 GGAAHN C[C@@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1ccccc1Cl ZINC000192143640 231028062 /nfs/dbraw/zinc/02/80/62/231028062.db2.gz JGGBASIEQNENNZ-MRXNPFEDSA-N 0 3 378.948 3.070 50 0 GGAAHN COc1cc(CNCCN2CCOCC2)ccc1OCc1cccc(Cl)c1 ZINC000019362114 210244552 /nfs/dbraw/zinc/24/45/52/210244552.db2.gz BXZQWBSRVZLWCC-UHFFFAOYSA-N 0 3 390.911 3.349 50 0 GGAAHN COc1cc2cc(C(=O)Nc3ccc(OCCN(C)C)cc3)[nH]c2cc1OC ZINC000409414810 231203930 /nfs/dbraw/zinc/20/39/30/231203930.db2.gz OSXFYMKGGYDKHY-UHFFFAOYSA-N 0 3 383.448 3.378 50 0 GGAAHN Cc1nccn1CCN(C)C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000426373890 231209870 /nfs/dbraw/zinc/20/98/70/231209870.db2.gz YIBGMVRFLWLLAI-OAQYLSRUSA-N 0 3 383.540 3.450 50 0 GGAAHN Cc1nccn1CCN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000426373889 231210211 /nfs/dbraw/zinc/21/02/11/231210211.db2.gz YIBGMVRFLWLLAI-NRFANRHFSA-N 0 3 383.540 3.450 50 0 GGAAHN Cc1nccn1CC[C@H](NC(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1 ZINC000426477479 231225142 /nfs/dbraw/zinc/22/51/42/231225142.db2.gz YVBGSHOMZWVKHD-IBGZPJMESA-N 0 3 393.495 3.030 50 0 GGAAHN OCCn1ccc([C@H]2CCCN(Cc3ccc(OCc4ccccn4)cc3)C2)n1 ZINC000426479114 231225714 /nfs/dbraw/zinc/22/57/14/231225714.db2.gz 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210134408 /nfs/dbraw/zinc/13/44/08/210134408.db2.gz HAQIZYOCQBDEDH-UHFFFAOYSA-N 0 3 375.472 3.003 50 0 GGAAHN O=C(c1cn(CCCc2ccccc2)nn1)N1CCCN(C2CCCC2)CC1 ZINC000014960018 210133493 /nfs/dbraw/zinc/13/34/93/210133493.db2.gz ARDNHSJTPVZVLZ-UHFFFAOYSA-N 0 3 381.524 3.001 50 0 GGAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H]2CCOC2)CC1 ZINC000014953685 210132631 /nfs/dbraw/zinc/13/26/31/210132631.db2.gz FJMIPBXAOPZVBO-OAQYLSRUSA-N 0 3 388.552 3.428 50 0 GGAAHN CC(=O)Nc1ccc(CN[C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cc1 ZINC000014947914 210131553 /nfs/dbraw/zinc/13/15/53/210131553.db2.gz QENYJLSZPGRROJ-FQEVSTJZSA-N 0 3 385.895 3.232 50 0 GGAAHN CC(=O)Nc1ccc(CN[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cc1 ZINC000014947917 210130630 /nfs/dbraw/zinc/13/06/30/210130630.db2.gz QENYJLSZPGRROJ-HXUWFJFHSA-N 0 3 385.895 3.232 50 0 GGAAHN C/C=C(\C)CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cccnc3)n2CC1 ZINC000014881435 210129353 /nfs/dbraw/zinc/12/93/53/210129353.db2.gz XIVJTDGUMCLSBE-QPUGPGLDSA-N 0 3 396.539 3.015 50 0 GGAAHN 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O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000013688747 210079611 /nfs/dbraw/zinc/07/96/11/210079611.db2.gz QKTFXYYTRSOINQ-NJDAHSKKSA-N 0 3 386.407 3.443 50 0 GGAAHN Cc1c(NC(=O)c2ccc(CN3CCCC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013680290 210077792 /nfs/dbraw/zinc/07/77/92/210077792.db2.gz WMMVUVXSLPEUBA-UHFFFAOYSA-N 0 3 390.487 3.333 50 0 GGAAHN Cn1c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2n(C)c1=O ZINC000013681212 210077703 /nfs/dbraw/zinc/07/77/03/210077703.db2.gz BMCFNRPOUAVGKQ-UHFFFAOYSA-N 0 3 378.476 3.115 50 0 GGAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000013628997 210074778 /nfs/dbraw/zinc/07/47/78/210074778.db2.gz JJCHQAPLCJPYDR-AWEZNQCLSA-N 0 3 395.459 3.134 50 0 GGAAHN Cc1nn(C)cc1[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@]23CCCN13 ZINC000013594603 210071005 /nfs/dbraw/zinc/07/10/05/210071005.db2.gz MVTBIIMETJCNFH-LRQRDZAKSA-N 0 3 384.911 3.320 50 0 GGAAHN COC(=O)c1cccc(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)c1 ZINC000012756105 210003682 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ZINC000095391000 211237535 /nfs/dbraw/zinc/23/75/35/211237535.db2.gz JLECOHCVYOMACW-IFMALSPDSA-N 0 3 380.536 3.495 50 0 GGAAHN CN1CCN(Cc2ccc(-c3ccccc3F)o2)C[C@@]12CCC(=O)N(C)CC2 ZINC000095391793 211236485 /nfs/dbraw/zinc/23/64/85/211236485.db2.gz FSDOFFLVPBHOFM-QFIPXVFZSA-N 0 3 385.483 3.214 50 0 GGAAHN CSc1ccc(CC(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)cc1 ZINC000095359491 211224434 /nfs/dbraw/zinc/22/44/34/211224434.db2.gz GRUMVYSZXAZTDA-GOSISDBHSA-N 0 3 386.565 3.115 50 0 GGAAHN CC(C)n1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)cn1 ZINC000095361764 211224119 /nfs/dbraw/zinc/22/41/19/211224119.db2.gz DYLCLDUCLMAIGR-LAUBAEHRSA-N 0 3 378.520 3.168 50 0 GGAAHN COc1ccc([C@@H]2CN(C(=O)COc3ccccc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095360637 211224156 /nfs/dbraw/zinc/22/41/56/211224156.db2.gz MSOCZCRWZJYWNV-QPTUXGOLSA-N 0 3 392.499 3.163 50 0 GGAAHN CSc1ccc(CC(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)cc1 ZINC000095359492 211223982 /nfs/dbraw/zinc/22/39/82/211223982.db2.gz GRUMVYSZXAZTDA-SFHVURJKSA-N 0 3 386.565 3.115 50 0 GGAAHN COc1ccc2cc([C@H](C(=O)[O-])[NH+]3CCC(OCCN(C)C)CC3)ccc2c1 ZINC000095361217 211223028 /nfs/dbraw/zinc/22/30/28/211223028.db2.gz ALGHUAYQKWQEPA-OAQYLSRUSA-N 0 3 386.492 3.017 50 0 GGAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000095359164 211223118 /nfs/dbraw/zinc/22/31/18/211223118.db2.gz MVCSTMJDFJLRQP-GOSISDBHSA-N 0 3 377.492 3.013 50 0 GGAAHN Cc1ccccc1N1CC[C@@H](CNC(=O)C2CCN(Cc3ccco3)CC2)C1 ZINC000095359088 211222850 /nfs/dbraw/zinc/22/28/50/211222850.db2.gz IBEACWWKQLAMFD-IBGZPJMESA-N 0 3 381.520 3.443 50 0 GGAAHN CCNc1ncc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(OC)cc2)C3)cn1 ZINC000095354904 211222292 /nfs/dbraw/zinc/22/22/92/211222292.db2.gz DHFUTVOIIQDJLU-AZUAARDMSA-N 0 3 381.524 3.013 50 0 GGAAHN CN1CCN(Cc2ccc(-c3ccccc3F)o2)C[C@]12CCC(=O)N(C)CC2 ZINC000095391794 211236345 /nfs/dbraw/zinc/23/63/45/211236345.db2.gz FSDOFFLVPBHOFM-JOCHJYFZSA-N 0 3 385.483 3.214 50 0 GGAAHN Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095391497 211236405 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3.253 50 0 GGAAHN O=C1CCCN1Cc1ccccc1CNCc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000095376386 211230434 /nfs/dbraw/zinc/23/04/34/211230434.db2.gz SSNAIJIEOFOEOA-UHFFFAOYSA-N 0 3 379.435 3.079 50 0 GGAAHN COc1ccc([C@@H]2CN(C(=O)c3cccc(O)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095376932 211230361 /nfs/dbraw/zinc/23/03/61/211230361.db2.gz AEQGAHDVTXTHPH-BHDDXSALSA-N 0 3 378.472 3.103 50 0 GGAAHN COc1ccc([C@@H]2CN(C(=O)CCc3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095373296 211230229 /nfs/dbraw/zinc/23/02/29/211230229.db2.gz YRRJVXARSMPVRS-QPTUXGOLSA-N 0 3 391.515 3.112 50 0 GGAAHN CCN1CC[C@@]2(CN(Cc3cccc(-c4ccco4)c3)CCN2C)CCC1=O ZINC000095376169 211229927 /nfs/dbraw/zinc/22/99/27/211229927.db2.gz PQSSYYUEGDHPKR-HSZRJFAPSA-N 0 3 381.520 3.465 50 0 GGAAHN COc1cccc2ccc(CN3C[C@H]4CC[C@@H](C3)C(=O)N4CC3CCC3)nc21 ZINC000095370368 211228511 /nfs/dbraw/zinc/22/85/11/211228511.db2.gz IXEPMJGCAKRTGT-AZUAARDMSA-N 0 3 379.504 3.466 50 0 GGAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3Cc3cnc(SC)nc3)C2)cc1 ZINC000095365400 211225248 /nfs/dbraw/zinc/22/52/48/211225248.db2.gz GSGJQHMXTYUMPK-PKOBYXMFSA-N 0 3 384.549 3.304 50 0 GGAAHN CCc1ccc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)nc1 ZINC000095363713 211225092 /nfs/dbraw/zinc/22/50/92/211225092.db2.gz FZJMJRVRCMNHNJ-TUACAJSNSA-N 0 3 391.515 3.435 50 0 GGAAHN C[C@H](C1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1)N1CCN(C)CC1 ZINC000091964860 211211457 /nfs/dbraw/zinc/21/14/57/211211457.db2.gz QCGFOSVTTCWACP-GOSISDBHSA-N 0 3 381.520 3.435 50 0 GGAAHN Cc1ccc([C@@H](CNCc2cc(=O)c3c(C)ccc(C)c3[nH]2)N2CCOCC2)o1 ZINC000091931045 211210841 /nfs/dbraw/zinc/21/08/41/211210841.db2.gz GPIXYDZEJYJMIN-LJQANCHMSA-N 0 3 395.503 3.209 50 0 GGAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1csc(C)c1)C2 ZINC000091915208 211210370 /nfs/dbraw/zinc/21/03/70/211210370.db2.gz QVHOIAJDDGDJPE-SBHAEUEKSA-N 0 3 392.565 3.036 50 0 GGAAHN Cc1cccc2cc(C(=O)N3CCC4(CCC(=O)N(CCN(C)C)C4)CC3)oc21 ZINC000095354775 211221027 /nfs/dbraw/zinc/22/10/27/211221027.db2.gz ATXUMBRLLJGWLW-UHFFFAOYSA-N 0 3 397.519 3.148 50 0 GGAAHN Cc1ccc([C@@H]2CN(C(=O)c3cn4ccccc4n3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095355197 211221119 /nfs/dbraw/zinc/22/11/19/211221119.db2.gz PTORYVZKFRWIPD-WWPVKYPJSA-N 0 3 386.499 3.345 50 0 GGAAHN COCCCN1CC2(CCC1=O)CCN(CCOc1ccc(C)c(C)c1)CC2 ZINC000091809086 211208896 /nfs/dbraw/zinc/20/88/96/211208896.db2.gz PVKDUSWCEHHXCS-UHFFFAOYSA-N 0 3 388.552 3.423 50 0 GGAAHN COCCCN1CC2(CCC1=O)CCN(Cc1cnn(-c3ccccc3)c1)CC2 ZINC000092037187 211215648 /nfs/dbraw/zinc/21/56/48/211215648.db2.gz QCCXTHYYGKOKMW-UHFFFAOYSA-N 0 3 396.535 3.113 50 0 GGAAHN CSc1cccc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)c1 ZINC000092045926 211215455 /nfs/dbraw/zinc/21/54/55/211215455.db2.gz VHMLVFUZSBDUFS-QFIPXVFZSA-N 0 3 387.593 3.317 50 0 GGAAHN CN(C)CCn1ccnc1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000092077067 211214649 /nfs/dbraw/zinc/21/46/49/211214649.db2.gz XIVRAAIFOKTULM-UHFFFAOYSA-N 0 3 394.441 3.483 50 0 GGAAHN Nc1ncccc1CN1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000092036897 211214229 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C[C@@H](CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CCC1)C(F)(F)F ZINC000091636879 211198058 /nfs/dbraw/zinc/19/80/58/211198058.db2.gz YNWXRQQDGAPGGB-ZDUSSCGKSA-N 0 3 384.446 3.084 50 0 GGAAHN CCOc1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)CC)cc1 ZINC000091593628 211196847 /nfs/dbraw/zinc/19/68/47/211196847.db2.gz AWJPDQQCROSKMB-UHFFFAOYSA-N 0 3 382.508 3.094 50 0 GGAAHN CCOc1ccc(CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)CC)cc1 ZINC000091593628 211196850 /nfs/dbraw/zinc/19/68/50/211196850.db2.gz AWJPDQQCROSKMB-UHFFFAOYSA-N 0 3 382.508 3.094 50 0 GGAAHN COc1ccc(CN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc1C ZINC000091563233 211196622 /nfs/dbraw/zinc/19/66/22/211196622.db2.gz LKEBUEJUUJIFBI-HXUWFJFHSA-N 0 3 386.536 3.387 50 0 GGAAHN CCN1CC[C@@]2(CN(Cc3cccc(C(F)(F)F)c3)CCN2C)CCC1=O ZINC000091593851 211196495 /nfs/dbraw/zinc/19/64/95/211196495.db2.gz TXDHCYILTOJAGG-LJQANCHMSA-N 0 3 383.458 3.224 50 0 GGAAHN O=C1CCC2(CCN(C/C=C/c3ccccc3)CC2)CN1CCc1c[nH]cn1 ZINC000091847491 211208314 /nfs/dbraw/zinc/20/83/14/211208314.db2.gz 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ZINC000091364988 211190826 /nfs/dbraw/zinc/19/08/26/211190826.db2.gz CMYUCSDEGBGDCX-JOCHJYFZSA-N 0 3 384.499 3.305 50 0 GGAAHN Cc1cc(CN2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)ccc1F ZINC000091364988 211190827 /nfs/dbraw/zinc/19/08/27/211190827.db2.gz CMYUCSDEGBGDCX-JOCHJYFZSA-N 0 3 384.499 3.305 50 0 GGAAHN Cc1cc(F)ccc1CN1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091381398 211190928 /nfs/dbraw/zinc/19/09/28/211190928.db2.gz XQOUXHNUWWLKTA-QFIPXVFZSA-N 0 3 384.499 3.305 50 0 GGAAHN Cc1cc(F)ccc1CN1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000091381398 211190931 /nfs/dbraw/zinc/19/09/31/211190931.db2.gz XQOUXHNUWWLKTA-QFIPXVFZSA-N 0 3 384.499 3.305 50 0 GGAAHN CN1CCN(Cc2ccc(-c3ccccc3F)cc2)C[C@]12CCNC(=O)CC2 ZINC000091320470 211190133 /nfs/dbraw/zinc/19/01/33/211190133.db2.gz VLUBYTBYLCDWNM-QHCPKHFHSA-N 0 3 381.495 3.279 50 0 GGAAHN Cc1cnc(CN2C[C@]3(CCCN(CCCC(F)(F)F)C3)CCC2=O)cn1 ZINC000091270442 211188492 /nfs/dbraw/zinc/18/84/92/211188492.db2.gz JHFZNKPGSCPBNS-GOSISDBHSA-N 0 3 384.446 3.332 50 0 GGAAHN CN1CCC(Cc2noc([C@@H]3CCC(=O)N(CCCc4ccccc4)C3)n2)CC1 ZINC000091255592 211187558 /nfs/dbraw/zinc/18/75/58/211187558.db2.gz LGCAWBGMADTUKG-HXUWFJFHSA-N 0 3 396.535 3.293 50 0 GGAAHN CN1CCN(Cc2ccc(OC3CCCC3)cc2)C[C@@]12CCC(=O)N(C)CC2 ZINC000091269707 211187298 /nfs/dbraw/zinc/18/72/98/211187298.db2.gz DAHZUVOEPVQIIM-QHCPKHFHSA-N 0 3 385.552 3.137 50 0 GGAAHN CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)cn1 ZINC000091416489 211193309 /nfs/dbraw/zinc/19/33/09/211193309.db2.gz RKNAOOHHGBMSRY-PZJWPPBQSA-N 0 3 378.520 3.208 50 0 GGAAHN CCc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)c1C ZINC000091425743 211192317 /nfs/dbraw/zinc/19/23/17/211192317.db2.gz KGAKHFMUAOVGQP-VQTJNVASSA-N 0 3 380.536 3.450 50 0 GGAAHN CCCCN1CCc2nc[nH]c2C12CCN(Cc1cccc3nonc31)CC2 ZINC000091416881 211192063 /nfs/dbraw/zinc/19/20/63/211192063.db2.gz APGFFBILDHIYJX-UHFFFAOYSA-N 0 3 380.496 3.095 50 0 GGAAHN O=C(NCc1cc2n(n1)CCCNC2)Nc1ccccc1Oc1ccccc1 ZINC000082107635 211161646 /nfs/dbraw/zinc/16/16/46/211161646.db2.gz ODWUMVYADXVXTE-UHFFFAOYSA-N 0 3 377.448 3.490 50 0 GGAAHN O=C(N[C@@H]1CCCN(Cc2ccncc2)CC1)c1ccc(-c2cc[nH]n2)cc1 ZINC000082108140 211161058 /nfs/dbraw/zinc/16/10/58/211161058.db2.gz OXFGNZSWQKFJDA-HXUWFJFHSA-N 0 3 375.476 3.256 50 0 GGAAHN CCCN1CCCn2nc(CNC(=O)c3ccnc4ccc(C)cc43)cc2C1 ZINC000082086560 211160571 /nfs/dbraw/zinc/16/05/71/211160571.db2.gz GMJKMYFXKSZFEV-UHFFFAOYSA-N 0 3 377.492 3.285 50 0 GGAAHN COc1ccc(CN2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)cc1C ZINC000082091635 211159431 /nfs/dbraw/zinc/15/94/31/211159431.db2.gz FYTBKTFPLSANSM-UHFFFAOYSA-N 0 3 383.540 3.371 50 0 GGAAHN Cc1nc(C(C)C)ncc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000082099369 211159096 /nfs/dbraw/zinc/15/90/96/211159096.db2.gz BMSMNJLDYYOGOH-UHFFFAOYSA-N 0 3 378.520 3.224 50 0 GGAAHN O=C1Nc2ccccc2NC12CCN([C@@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000082171022 211164162 /nfs/dbraw/zinc/16/41/62/211164162.db2.gz MQMVBKPJTVXLAW-GOSISDBHSA-N 0 3 380.467 3.303 50 0 GGAAHN O=C(N[C@H]1CCCN(Cc2ccncc2)CC1)c1ccc(-c2cc[nH]n2)cc1 ZINC000082108141 211162563 /nfs/dbraw/zinc/16/25/63/211162563.db2.gz OXFGNZSWQKFJDA-FQEVSTJZSA-N 0 3 375.476 3.256 50 0 GGAAHN COc1ccc(-c2ncc(CN3CCC(CCN4CCCC4=O)CC3)cn2)cc1 ZINC000077556044 211138416 /nfs/dbraw/zinc/13/84/16/211138416.db2.gz QPDXJOYRGMYUJU-UHFFFAOYSA-N 0 3 394.519 3.377 50 0 GGAAHN COc1ccc2[nH]nc(CN3CCC[C@@]4(CCC(=O)N(CC5CC5)C4)C3)c2c1 ZINC000077457338 211135350 /nfs/dbraw/zinc/13/53/50/211135350.db2.gz NHLNGMQHJZCOKZ-JOCHJYFZSA-N 0 3 382.508 3.186 50 0 GGAAHN COc1cccc(-c2nc3cc(OC)c(OC)cc3cc2CN(C)CCO)c1 ZINC000072478532 211124487 /nfs/dbraw/zinc/12/44/87/211124487.db2.gz YRCHNQBVACKHAY-UHFFFAOYSA-N 0 3 382.460 3.352 50 0 GGAAHN COc1ccc(OC)c2nc(-c3cccc(C)c3)c(CN(C)C[C@H](O)CO)cc12 ZINC000072456759 211121482 /nfs/dbraw/zinc/12/14/82/211121482.db2.gz JTQKRYDLXDRNPK-SFHVURJKSA-N 0 3 396.487 3.012 50 0 GGAAHN COCCN1CCC[C@@H](CNc2cc(-c3ccccc3)nc3cc(C)nn32)C1 ZINC000072434340 211121011 /nfs/dbraw/zinc/12/10/11/211121011.db2.gz GFJYJEIANNVXMM-SFHVURJKSA-N 0 3 379.508 3.475 50 0 GGAAHN Cc1nc(C2CC2)ncc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072448132 211120871 /nfs/dbraw/zinc/12/08/71/211120871.db2.gz LOQDAJQMEWYVEQ-UHFFFAOYSA-N 0 3 376.504 3.325 50 0 GGAAHN CC1=C(CCN2CCOC[C@@H]2CC(=O)N2CCCOCC2)C(C)(C)CCC1 ZINC000072453743 211120432 /nfs/dbraw/zinc/12/04/32/211120432.db2.gz YTBDGWUVCCAFEO-IBGZPJMESA-N 0 3 378.557 3.243 50 0 GGAAHN CC1=C(CCN2CCOC[C@H]2CC(=O)N2CCCOCC2)C(C)(C)CCC1 ZINC000072453744 211120505 /nfs/dbraw/zinc/12/05/05/211120505.db2.gz YTBDGWUVCCAFEO-LJQANCHMSA-N 0 3 378.557 3.243 50 0 GGAAHN COc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1CN1CC[C@@H](O)C1 ZINC000072433502 211118084 /nfs/dbraw/zinc/11/80/84/211118084.db2.gz LJHPGDSJNKKMFL-MRXNPFEDSA-N 0 3 394.471 3.494 50 0 GGAAHN CCOc1ccc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)cc1Cl ZINC000072423826 211116839 /nfs/dbraw/zinc/11/68/39/211116839.db2.gz HJKOFLYPPQUFSI-OAHLLOKOSA-N 0 3 380.916 3.312 50 0 GGAAHN COC(=O)COc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000072174168 211081953 /nfs/dbraw/zinc/08/19/53/211081953.db2.gz LMKOVCSEEKXVHE-UHFFFAOYSA-N 0 3 386.467 3.085 50 0 GGAAHN CCOC(=O)CCCN1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072148313 211076858 /nfs/dbraw/zinc/07/68/58/211076858.db2.gz JEXWARAOMLRGMR-MAODMQOUSA-N 0 3 378.463 3.170 50 0 GGAAHN CO[C@@H]1CCCN(C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)C1 ZINC000072148386 211076062 /nfs/dbraw/zinc/07/60/62/211076062.db2.gz XHDBSYXNNHJTQX-HSZRJFAPSA-N 0 3 392.543 3.336 50 0 GGAAHN O=C(CN1CCC[C@H](CCc2ccccc2C(F)(F)F)C1)N1CCOCC1 ZINC000072144461 211075974 /nfs/dbraw/zinc/07/59/74/211075974.db2.gz YFNRCUDSMCGJIP-MRXNPFEDSA-N 0 3 384.442 3.209 50 0 GGAAHN O=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1cnc(-c2cccnc2)nc1 ZINC000072148634 211075758 /nfs/dbraw/zinc/07/57/58/211075758.db2.gz JJCBNSIAJQVFCJ-HXUWFJFHSA-N 0 3 379.508 3.313 50 0 GGAAHN Cc1ccccc1[C@@H](CNc1nc(-c2ccncc2)nc2c1cnn2C)N(C)C ZINC000072165895 211079762 /nfs/dbraw/zinc/07/97/62/211079762.db2.gz DMDUOSOJBOCNGM-LJQANCHMSA-N 0 3 387.491 3.449 50 0 GGAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cccc(F)c1)C2 ZINC000072152410 211078753 /nfs/dbraw/zinc/07/87/53/211078753.db2.gz VKJBNUQBDBRJFA-FCEUIQTBSA-N 0 3 376.516 3.165 50 0 GGAAHN Cn1c(C(=O)N2CCC[C@@H](N3CCC(CO)CC3)C2)cc2c1cccc2Cl ZINC000072157892 211077624 /nfs/dbraw/zinc/07/76/24/211077624.db2.gz YAIFTRDDJXMSSB-MRXNPFEDSA-N 0 3 389.927 3.141 50 0 GGAAHN CN(CCc1ccccc1)C1(C(=O)NC[C@@H]2CCCCO2)Cc2ccccc2C1 ZINC000072135220 211074287 /nfs/dbraw/zinc/07/42/87/211074287.db2.gz WTQLZDUXTRLQFK-QHCPKHFHSA-N 0 3 392.543 3.384 50 0 GGAAHN Cc1ccccc1N1CCN([C@H]2CCCN(c3cc(C4CC4)ncn3)C2)CC1 ZINC000072137183 211073845 /nfs/dbraw/zinc/07/38/45/211073845.db2.gz JTVMLIKEEYQPJC-FQEVSTJZSA-N 0 3 377.536 3.453 50 0 GGAAHN CN(CCc1ccccc1)C1(C(=O)NC[C@H]2CCCCO2)Cc2ccccc2C1 ZINC000072135221 211072957 /nfs/dbraw/zinc/07/29/57/211072957.db2.gz WTQLZDUXTRLQFK-HSZRJFAPSA-N 0 3 392.543 3.384 50 0 GGAAHN O=C(c1ccc2c(c1)OCO2)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072127395 211071467 /nfs/dbraw/zinc/07/14/67/211071467.db2.gz GKRRLLJZEIFGPG-STZQEDGTSA-N 0 3 376.456 3.118 50 0 GGAAHN Cc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cs1 ZINC000072151171 211075176 /nfs/dbraw/zinc/07/51/76/211075176.db2.gz AFANYCVDZXCROU-IOMROCGXSA-N 0 3 383.517 3.242 50 0 GGAAHN COc1ccc([C@@H]2CN(c3ccc(C(C)=O)cn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072150621 211075270 /nfs/dbraw/zinc/07/52/70/211075270.db2.gz JPBPUHASJNMCFV-MDNUFGMLSA-N 0 3 377.488 3.359 50 0 GGAAHN Cn1ccnc1[C@H]1c2nc[nH]c2CCN1Cc1ccc2cc(Cl)ccc2n1 ZINC000071763228 211060541 /nfs/dbraw/zinc/06/05/41/211060541.db2.gz WBUYVXXAQAFYGW-LJQANCHMSA-N 0 3 378.867 3.493 50 0 GGAAHN CCc1nccn1CC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071765457 211060576 /nfs/dbraw/zinc/06/05/76/211060576.db2.gz QKEIWSKJBSDPSD-FQEVSTJZSA-N 0 3 386.515 3.344 50 0 GGAAHN Cc1ccc(C(N)=O)c(N2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000071748773 211053602 /nfs/dbraw/zinc/05/36/02/211053602.db2.gz QVLVLGOHZFJVME-FQEVSTJZSA-N 0 3 384.499 3.365 50 0 GGAAHN Cc1cnn(CCC(=O)N2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071745181 211053413 /nfs/dbraw/zinc/05/34/13/211053413.db2.gz OCTXNEORGPVJNC-OAQYLSRUSA-N 0 3 386.515 3.480 50 0 GGAAHN CC(C)c1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n(C)n1 ZINC000071750681 211055695 /nfs/dbraw/zinc/05/56/95/211055695.db2.gz AFHDSXNHHKRGPZ-VLCRHTCISA-N 0 3 378.520 3.246 50 0 GGAAHN CC(C)n1ccc(CN2CCN(C)C3(CCN(C(=O)c4ccco4)CC3)C2)c1 ZINC000067965280 211032092 /nfs/dbraw/zinc/03/20/92/211032092.db2.gz FYKILIONOOEMMO-UHFFFAOYSA-N 0 3 384.524 3.084 50 0 GGAAHN CSc1ccccc1OCc1cc(C(=O)N(C)C[C@]2(C)CCN(C)C2)no1 ZINC000067947309 211030664 /nfs/dbraw/zinc/03/06/64/211030664.db2.gz ZJMOHAGGZVHZPI-HXUWFJFHSA-N 0 3 389.521 3.389 50 0 GGAAHN O=S(=O)(Cc1ccc(Cl)cc1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090609037 211036430 /nfs/dbraw/zinc/03/64/30/211036430.db2.gz RZFPVJGJVLJDML-KRWDZBQOSA-N 0 3 388.986 3.073 50 0 GGAAHN O=C1CC[C@H](NCc2nncn2C2CCCCC2)CCN1Cc1ccccc1 ZINC000067983069 211032710 /nfs/dbraw/zinc/03/27/10/211032710.db2.gz WDALQOCHIJUWBQ-IBGZPJMESA-N 0 3 381.524 3.454 50 0 GGAAHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1coc(COc2cccc3cnccc32)n1 ZINC000067934776 211028528 /nfs/dbraw/zinc/02/85/28/211028528.db2.gz MITBPGNFRVHXFN-MRXNPFEDSA-N 0 3 394.475 3.216 50 0 GGAAHN CN(Cc1cccc(C(=O)Nc2ccc3c(cnn3C)c2)c1)CC1(C)COC1 ZINC000067919644 211028716 /nfs/dbraw/zinc/02/87/16/211028716.db2.gz RBELXBZWVCHWQP-UHFFFAOYSA-N 0 3 378.476 3.294 50 0 GGAAHN COc1ccc2[nH]c(CN[C@H]3CCC(=O)N(Cc4ccccc4)CC3)nc2c1 ZINC000067895445 211028468 /nfs/dbraw/zinc/02/84/68/211028468.db2.gz FWHRJBCHVASVQN-KRWDZBQOSA-N 0 3 378.476 3.242 50 0 GGAAHN CCn1cc(CN2CC[C@]3(C2)CCCN(C(=O)CCc2ccccc2)C3)cn1 ZINC000067872990 211026721 /nfs/dbraw/zinc/02/67/21/211026721.db2.gz OEALEJFYBSJTOC-QHCPKHFHSA-N 0 3 380.536 3.350 50 0 GGAAHN Cc1nc2cc(OCc3nc(C(=O)N4CCN5CCC[C@H]5C4)co3)ccc2s1 ZINC000067872672 211026374 /nfs/dbraw/zinc/02/63/74/211026374.db2.gz 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ZINC000012432138 570660008 /nfs/dbraw/zinc/66/00/08/570660008.db2.gz CUTYERLLWNDHEZ-QFIPXVFZSA-N 0 3 384.499 3.235 50 0 GGAAHN Cc1ccn(CCC(=O)N2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)n1 ZINC000012432137 570660058 /nfs/dbraw/zinc/66/00/58/570660058.db2.gz CUTYERLLWNDHEZ-JOCHJYFZSA-N 0 3 384.499 3.235 50 0 GGAAHN Cc1cccc2nc(C(=O)N(C)[C@H]3CCCN(CCc4ccccc4)C3)cn21 ZINC000012434080 570661260 /nfs/dbraw/zinc/66/12/60/570661260.db2.gz LMZWMZRCNDRLSC-FQEVSTJZSA-N 0 3 376.504 3.422 50 0 GGAAHN O=C(CCC1CCN(Cc2cccn2-c2ccccn2)CC1)NC[C@@H]1CCCO1 ZINC000012435478 570662216 /nfs/dbraw/zinc/66/22/16/570662216.db2.gz QJKQDYGICOGLOW-NRFANRHFSA-N 0 3 396.535 3.160 50 0 GGAAHN CSCCNCc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21 ZINC000012438057 570662623 /nfs/dbraw/zinc/66/26/23/570662623.db2.gz CRLVUXAGXOPFQL-UHFFFAOYSA-N 0 3 388.562 3.163 50 0 GGAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C1=O ZINC000229995665 570667933 /nfs/dbraw/zinc/66/79/33/570667933.db2.gz GXCOQECPHALNOB-PWRODBHTSA-N 0 3 385.423 3.441 50 0 GGAAHN CSc1cccc(CN2CCN(C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)c1 ZINC000230208516 570668292 /nfs/dbraw/zinc/66/82/92/570668292.db2.gz VHMLVFUZSBDUFS-JOCHJYFZSA-N 0 3 387.593 3.317 50 0 GGAAHN Cc1cc(C)n(-c2ccc(F)cc2CN[C@H]2CCCN(c3ncccn3)C2)n1 ZINC000012455854 570669180 /nfs/dbraw/zinc/66/91/80/570669180.db2.gz BIGDDXAMHDANCC-IBGZPJMESA-N 0 3 380.471 3.177 50 0 GGAAHN CC(=O)c1ccc(OCC(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)cc1 ZINC000012457753 570669620 /nfs/dbraw/zinc/66/96/20/570669620.db2.gz HAFISCSAUDICGL-NRFANRHFSA-N 0 3 380.488 3.391 50 0 GGAAHN CCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccccc3)CC1)n2C ZINC000052671043 570673170 /nfs/dbraw/zinc/67/31/70/570673170.db2.gz ICZBCJMQZFSWCQ-UHFFFAOYSA-N 0 3 391.519 3.287 50 0 GGAAHN NC(=O)Cn1cc(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)c2ccccc21 ZINC000055042156 570680242 /nfs/dbraw/zinc/68/02/42/570680242.db2.gz PECIXFWSVBSYBR-HXUWFJFHSA-N 0 3 395.478 3.447 50 0 GGAAHN CCOc1cccc(CN2CCOc3ccc([C@@](C)(O)CN(C)C)cc3C2)c1 ZINC000055053364 570680639 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Cc1c(CNCc2cc(-c3ccccc3)nn2C)c2ccccc2n1CC(N)=O ZINC000055211786 570687278 /nfs/dbraw/zinc/68/72/78/570687278.db2.gz MHZTVKMMXDCFMT-UHFFFAOYSA-N 0 3 387.487 3.125 50 0 GGAAHN COc1cc(CN2CCC(Cc3nncn3-c3ccccc3)CC2)ccc1O ZINC000055211958 570687418 /nfs/dbraw/zinc/68/74/18/570687418.db2.gz OQWGQRIWVYIION-UHFFFAOYSA-N 0 3 378.476 3.436 50 0 GGAAHN O=C(C(=O)N1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2)c1ccco1 ZINC000012591676 570687644 /nfs/dbraw/zinc/68/76/44/570687644.db2.gz HQFBRUZPPVYSMR-QHCPKHFHSA-N 0 3 380.488 3.410 50 0 GGAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)cc1OC ZINC000012596733 570689433 /nfs/dbraw/zinc/68/94/33/570689433.db2.gz PIIJJABQOUCRKI-JARZOMNASA-N 0 3 398.503 3.476 50 0 GGAAHN c1cnn(CCCN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)c1 ZINC000012596412 570689542 /nfs/dbraw/zinc/68/95/42/570689542.db2.gz STHQRRCVQLLORO-UHFFFAOYSA-N 0 3 388.519 3.041 50 0 GGAAHN COc1cccc(CNCc2cn3c(C)c(C)sc3n2)c1OCCN(C)C ZINC000055307838 570690717 /nfs/dbraw/zinc/69/07/17/570690717.db2.gz RQUGZDDQTXKBQT-UHFFFAOYSA-N 0 3 388.537 3.251 50 0 GGAAHN O=C(NCCN1CCC[C@@H](CO)C1)c1ccccc1Cc1ccc(Cl)cc1 ZINC000055369470 570692830 /nfs/dbraw/zinc/69/28/30/570692830.db2.gz BOGGNRNGGXQTCO-GOSISDBHSA-N 0 3 386.923 3.365 50 0 GGAAHN O=C(CCN1CCC([C@@H](O)c2ccccn2)CC1)Nc1cc(F)ccc1F ZINC000244691619 570694734 /nfs/dbraw/zinc/69/47/34/570694734.db2.gz JFZCBDPVTCCNOI-HXUWFJFHSA-N 0 3 375.419 3.134 50 0 GGAAHN COCCN1CC[C@@H](CNC(=O)c2cc(N3CCCCC3)ccc2Cl)C1 ZINC000244718724 570695120 /nfs/dbraw/zinc/69/51/20/570695120.db2.gz LPUZTUBALATCAP-INIZCTEOSA-N 0 3 379.932 3.028 50 0 GGAAHN COCCN1CC[C@H](CNC(=O)c2cc(N3CCCCC3)ccc2Cl)C1 ZINC000244718725 570695333 /nfs/dbraw/zinc/69/53/33/570695333.db2.gz LPUZTUBALATCAP-MRXNPFEDSA-N 0 3 379.932 3.028 50 0 GGAAHN CCc1cccc(C)c1NC(=O)CCN1CCN(C2CCSCC2)CC1 ZINC000244900103 570698771 /nfs/dbraw/zinc/69/87/71/570698771.db2.gz ZWCJHQQHMDRMIW-UHFFFAOYSA-N 0 3 375.582 3.399 50 0 GGAAHN C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@H]2NCCCN2CCOCC2)[C@@H]1C ZINC000036129143 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Cc1ccc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)cc1C ZINC000023127547 570912563 /nfs/dbraw/zinc/91/25/63/570912563.db2.gz YJOYGVMIVALIHF-UHFFFAOYSA-N 0 3 385.533 3.332 50 0 GGAAHN O=C(NCC1CCN(Cc2ccco2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000023127481 570912583 /nfs/dbraw/zinc/91/25/83/570912583.db2.gz QNAGUTFBQJTYTP-UHFFFAOYSA-N 0 3 393.846 3.039 50 0 GGAAHN Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000023127651 570912953 /nfs/dbraw/zinc/91/29/53/570912953.db2.gz PQLDSCFWWLUKFX-UHFFFAOYSA-N 0 3 376.497 3.325 50 0 GGAAHN COc1ccc(C)cc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000023127642 570913036 /nfs/dbraw/zinc/91/30/36/570913036.db2.gz HMFMUCIVBICBID-UHFFFAOYSA-N 0 3 388.533 3.194 50 0 GGAAHN Cc1ccc(CN2C(=O)NC3(CCN(Cc4ccc(C)cc4)CC3)C2=O)cc1 ZINC000017041284 570925201 /nfs/dbraw/zinc/92/52/01/570925201.db2.gz CAGQCOKFCLGFEH-UHFFFAOYSA-N 0 3 377.488 3.390 50 0 GGAAHN COc1ccc(-c2cc(C(F)F)nc(N3CCN4CCC[C@H]4C3)n2)cc1OC ZINC000252430962 570955938 /nfs/dbraw/zinc/95/59/38/570955938.db2.gz 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571040781 /nfs/dbraw/zinc/04/07/81/571040781.db2.gz OFWYWKFKEHHMQJ-UHFFFAOYSA-N 0 3 387.505 3.267 50 0 GGAAHN CCn1c(C)ccc(C(=O)N(CCc2ccccc2)CC2CCN(C)CC2)c1=O ZINC000095523232 571088713 /nfs/dbraw/zinc/08/87/13/571088713.db2.gz IWDOXMNCUKNJBK-UHFFFAOYSA-N 0 3 395.547 3.203 50 0 GGAAHN CCOC(=O)C1=C(CN2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000054979049 1406863544 /nfs/dbraw/zinc/86/35/44/1406863544.db2.gz UISKASFIXQBFMN-QYWGDWMGSA-N 0 3 399.535 3.452 50 0 GGAAHN COC(=O)C1=C(CNCc2ccc(F)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000054979074 1406863656 /nfs/dbraw/zinc/86/36/56/1406863656.db2.gz QTPKZFAINQPMSG-FQEVSTJZSA-N 0 3 397.450 3.013 50 0 GGAAHN CC(C)C(=O)NC[C@@H]1CCC2(CCN(Cc3cnn(-c4ccccc4)c3)CC2)O1 ZINC000011788795 1399012415 /nfs/dbraw/zinc/01/24/15/1399012415.db2.gz JGBKSBMMYAXPHI-NRFANRHFSA-N 0 3 396.535 3.158 50 0 GGAAHN COc1ccccc1CN1CCC2(C[C@@H]2C(=O)N(C)Cc2cscn2)CC1 ZINC000012055810 1399025977 /nfs/dbraw/zinc/02/59/77/1399025977.db2.gz GCKONPNTRKFTPI-GOSISDBHSA-N 0 3 385.533 3.412 50 0 GGAAHN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN[C@H]2CCCCNC2=O)o1 ZINC000012197637 1399033219 /nfs/dbraw/zinc/03/32/19/1399033219.db2.gz JMMIDTKNQARXGB-SFHVURJKSA-N 0 3 382.439 3.338 50 0 GGAAHN O[C@@H](COc1ccccc1CNC1(c2ccccc2)CC1)CN1CCSCC1 ZINC000012201667 1399033505 /nfs/dbraw/zinc/03/35/05/1399033505.db2.gz MYIGETUDNRDZKZ-OAQYLSRUSA-N 0 3 398.572 3.254 50 0 GGAAHN COc1ccccc1/C=C/CN1CCC(n2cc(C(=O)NCC(C)C)nn2)CC1 ZINC000012213657 1399033656 /nfs/dbraw/zinc/03/36/56/1399033656.db2.gz XMZVPDFLIFZYHY-SOFGYWHQSA-N 0 3 397.523 3.023 50 0 GGAAHN CCN(CC)CCN(C(=O)c1cc(C)nn1C)c1nc2c(cccc2F)s1 ZINC000012229388 1399033880 /nfs/dbraw/zinc/03/38/80/1399033880.db2.gz RWQYFBLEYSBWSA-UHFFFAOYSA-N 0 3 389.500 3.466 50 0 GGAAHN O=C(NC1CC1)[C@@H]1C[C@@H](Sc2ccccn2)CN1C1Cc2ccccc2C1 ZINC000012242970 1399034013 /nfs/dbraw/zinc/03/40/13/1399034013.db2.gz HFNZBPIVDHXCFO-UXHICEINSA-N 0 3 379.529 3.063 50 0 GGAAHN Cn1cc(CN2CCC([C@@H](O)c3nccn3C)CC2)c(-c2cccc(Cl)c2)n1 ZINC000012305962 1399037499 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CCOC(=O)[C@@]1(CCOC)CCCN(CC2=Cc3cc(OC)ccc3OC2)C1 ZINC000012587396 1399048616 /nfs/dbraw/zinc/04/86/16/1399048616.db2.gz MGLNVGGFNLIOLI-JOCHJYFZSA-N 0 3 389.492 3.153 50 0 GGAAHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012745149 1399057682 /nfs/dbraw/zinc/05/76/82/1399057682.db2.gz BWNRZUMUWRAIAM-NRFANRHFSA-N 0 3 392.421 3.089 50 0 GGAAHN CC1CCN(Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)c(=O)[nH]2)CC1 ZINC000014954502 1399128777 /nfs/dbraw/zinc/12/87/77/1399128777.db2.gz IWYPSFAKYQYBHW-NRFANRHFSA-N 0 3 379.504 3.414 50 0 GGAAHN CCN1CCC[C@H]1CNC(=O)c1coc(COc2ccc(F)cc2Cl)n1 ZINC000014958360 1399128926 /nfs/dbraw/zinc/12/89/26/1399128926.db2.gz ILKOFAFPBHQIDN-ZDUSSCGKSA-N 0 3 381.835 3.260 50 0 GGAAHN Cc1c(CNC(=O)COc2ccc(-c3ccccc3)cc2CN(C)C)cnn1C ZINC000014991819 1399130241 /nfs/dbraw/zinc/13/02/41/1399130241.db2.gz WOBPHKYRWRFUBC-UHFFFAOYSA-N 0 3 392.503 3.152 50 0 GGAAHN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCCC2)[nH]c1=O ZINC000014992785 1399130254 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CCn1cc(CN2CCC[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c(C)n1 ZINC000022912063 1399516695 /nfs/dbraw/zinc/51/66/95/1399516695.db2.gz PZIKXJIEEDDTHF-NRFANRHFSA-N 0 3 398.551 3.251 50 0 GGAAHN Cn1cc(CN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000023478411 1399563479 /nfs/dbraw/zinc/56/34/79/1399563479.db2.gz LHHXLJGIJYQBHO-OAHLLOKOSA-N 0 3 376.451 3.007 50 0 GGAAHN O=c1cc(-c2ccc(F)cc2)nc(-c2ccc(CN3CCC[NH2+]CC3)cc2)[n-]1 ZINC000023543237 1399569429 /nfs/dbraw/zinc/56/94/29/1399569429.db2.gz ZRWRDLXHNXTURC-UHFFFAOYSA-N 0 3 378.451 3.038 50 0 GGAAHN COc1ccc(-c2cc(=O)[n-]c(-c3ccccc3C[N@@H+]3CCCOCC3)n2)cc1 ZINC000048501620 1405209693 /nfs/dbraw/zinc/20/96/93/1405209693.db2.gz UGJCCYWNLGUQLM-UHFFFAOYSA-N 0 3 391.471 3.335 50 0 GGAAHN COc1ccc(-c2cc(=O)[n-]c(-c3ccccc3C[N@H+]3CCCOCC3)n2)cc1 ZINC000048501620 1405209697 /nfs/dbraw/zinc/20/96/97/1405209697.db2.gz UGJCCYWNLGUQLM-UHFFFAOYSA-N 0 3 391.471 3.335 50 0 GGAAHN CC(C)C(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057251242 1407568517 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3.467 50 0 GGAAHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000426485565 231225863 /nfs/dbraw/zinc/22/58/63/231225863.db2.gz CMBKJJIWNSPWTI-IBGZPJMESA-N 0 3 389.503 3.336 50 0 GGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC(OCc2ccccc2F)C1 ZINC000426489586 231227731 /nfs/dbraw/zinc/22/77/31/231227731.db2.gz HAIAGGLMASECNA-IBGZPJMESA-N 0 3 383.467 3.011 50 0 GGAAHN CSc1cccc(CNC(=O)N2CCCO[C@@H](CN3CCCCC3)C2)c1 ZINC000426647901 231249000 /nfs/dbraw/zinc/24/90/00/231249000.db2.gz JGKOJCYKUKGIDM-SFHVURJKSA-N 0 3 377.554 3.195 50 0 GGAAHN Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC000426739711 231256435 /nfs/dbraw/zinc/25/64/35/231256435.db2.gz JHBFVBJWYWRJOE-HXUWFJFHSA-N 0 3 390.535 3.339 50 0 GGAAHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(-c2ccncc2F)cc1 ZINC000426738955 231257100 /nfs/dbraw/zinc/25/71/00/231257100.db2.gz ABCITPSNSUMVTD-IBGZPJMESA-N 0 3 383.467 3.261 50 0 GGAAHN CCc1ccc(CN2CCc3c(C(=O)N4CC[C@H](N(C)C)C4)csc3C2)nc1 ZINC000426370404 529643456 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221124442 /nfs/dbraw/zinc/12/44/42/221124442.db2.gz WYBFQHMXBJIYNP-UHFFFAOYSA-N 0 3 385.504 3.101 50 0 GGAAHN CCOC(=O)[C@]1(CCOC)CCCN(C/C=C/c2ccc(O)c(OC)c2)C1 ZINC000011773695 221125063 /nfs/dbraw/zinc/12/50/63/221125063.db2.gz KANRLDTZUXXYFL-XYASWCNUSA-N 0 3 377.481 3.096 50 0 GGAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCc2cccnc2)C1 ZINC000011817203 221127147 /nfs/dbraw/zinc/12/71/47/221127147.db2.gz HPQSASWRFDYCHQ-NRFANRHFSA-N 0 3 395.547 3.436 50 0 GGAAHN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccccc3C)C2)cc1 ZINC000011817289 221127761 /nfs/dbraw/zinc/12/77/61/221127761.db2.gz RSFQORPWIGOKSG-SFHVURJKSA-N 0 3 388.533 3.194 50 0 GGAAHN COC[C@H]1CCN(Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)C1 ZINC000011817902 221128332 /nfs/dbraw/zinc/12/83/32/221128332.db2.gz UPJBVNNNEFNWHY-SFHVURJKSA-N 0 3 384.524 3.127 50 0 GGAAHN COC[C@@H]1CCN(Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)C1 ZINC000011817901 221128425 /nfs/dbraw/zinc/12/84/25/221128425.db2.gz UPJBVNNNEFNWHY-GOSISDBHSA-N 0 3 384.524 3.127 50 0 GGAAHN CN(C(=O)Cc1cn2ccsc2n1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000011819556 221128700 /nfs/dbraw/zinc/12/87/00/221128700.db2.gz MJIXFODSTLSATL-LJQANCHMSA-N 0 3 382.533 3.104 50 0 GGAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cc1cccnc1 ZINC000011820826 221129609 /nfs/dbraw/zinc/12/96/09/221129609.db2.gz ODRXSVQOXDEEIN-QFIPXVFZSA-N 0 3 395.547 3.436 50 0 GGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cn1ccnc1C ZINC000011819293 221129799 /nfs/dbraw/zinc/12/97/99/221129799.db2.gz TVMPRZBNEKVOCN-OAQYLSRUSA-N 0 3 398.551 3.003 50 0 GGAAHN O=C(c1cc(COc2cccc(F)c2)n[nH]1)N1CCN(C2CCCCC2)CC1 ZINC000011819147 221129975 /nfs/dbraw/zinc/12/99/75/221129975.db2.gz BRQPNHWHAQBEOK-UHFFFAOYSA-N 0 3 386.471 3.218 50 0 GGAAHN COc1ccc(C(=O)NC[C@@H](c2cccn2C)N2CCCCCC2)cc1OC ZINC000011846351 221131781 /nfs/dbraw/zinc/13/17/81/221131781.db2.gz XXYJMELFELRNFE-IBGZPJMESA-N 0 3 385.508 3.389 50 0 GGAAHN O=C1NCCN1c1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000011841319 221132335 /nfs/dbraw/zinc/13/23/35/221132335.db2.gz 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ZINC000011695048 221121680 /nfs/dbraw/zinc/12/16/80/221121680.db2.gz HEYTVTRSPGPFRO-UHFFFAOYSA-N 0 3 393.463 3.297 50 0 GGAAHN CN(C(=O)c1cc(-c2cccn2C)n[nH]1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000011933700 221137765 /nfs/dbraw/zinc/13/77/65/221137765.db2.gz HDHNMLHQALDHIT-LJQANCHMSA-N 0 3 391.519 3.194 50 0 GGAAHN Cc1cccc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1 ZINC000011935014 221138925 /nfs/dbraw/zinc/13/89/25/221138925.db2.gz QMIVORYJRPHTRD-GOSISDBHSA-N 0 3 375.476 3.426 50 0 GGAAHN CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000011935004 221139489 /nfs/dbraw/zinc/13/94/89/221139489.db2.gz QXIOVZZAHACGTO-HXUWFJFHSA-N 0 3 389.503 3.046 50 0 GGAAHN Cc1ccc(C)c(-n2cc(CNCCN3CCNC3=O)c(-c3ccccc3)n2)c1 ZINC000011955748 221140472 /nfs/dbraw/zinc/14/04/72/221140472.db2.gz WDUVRRROWMQNFK-UHFFFAOYSA-N 0 3 389.503 3.271 50 0 GGAAHN O=C(Nc1ccnn1C1CCN(Cc2cc3ccccc3o2)CC1)[C@H]1CCOC1 ZINC000011953760 221140610 /nfs/dbraw/zinc/14/06/10/221140610.db2.gz ZKOWLQUBODJYIA-KRWDZBQOSA-N 0 3 394.475 3.441 50 0 GGAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCn2ccc(C)n2)C1 ZINC000011955664 221140851 /nfs/dbraw/zinc/14/08/51/221140851.db2.gz FTLBGKXPBPOVHQ-FQEVSTJZSA-N 0 3 398.551 3.003 50 0 GGAAHN CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1cn(C)c3ccccc13)CCO2 ZINC000011976134 221141363 /nfs/dbraw/zinc/14/13/63/221141363.db2.gz DRQLKKFQEOFQCU-XMMPIXPASA-N 0 3 393.531 3.342 50 0 GGAAHN Cc1c(C(=O)NCc2ccco2)sc2ncnc(NCCN3CCCCC3)c12 ZINC000011997372 221141575 /nfs/dbraw/zinc/14/15/75/221141575.db2.gz HBPKUBSUJQSJKM-UHFFFAOYSA-N 0 3 399.520 3.421 50 0 GGAAHN C[C@@]1(C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)NC(=O)NC1=O ZINC000012051049 221144319 /nfs/dbraw/zinc/14/43/19/221144319.db2.gz MBIKGUYMFIBXGO-QHCPKHFHSA-N 0 3 393.487 3.076 50 0 GGAAHN CCCc1cc(CNC(=O)c2ccc(N3CCN(C(C)C)[C@@H](CC)C3)nc2)on1 ZINC000012049776 221144630 /nfs/dbraw/zinc/14/46/30/221144630.db2.gz VVQKBNWKVJMFNK-IBGZPJMESA-N 0 3 399.539 3.261 50 0 GGAAHN C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(-c3ccccc3)n2CC1 ZINC000012039077 221144833 /nfs/dbraw/zinc/14/48/33/221144833.db2.gz WPCIZIIQGALCKO-QGZVFWFLSA-N 0 3 390.487 3.411 50 0 GGAAHN C/C(=C\c1ccccc1)CN1CCC2(CC[C@H](CNC(=O)[C@H]3CCCO3)O2)CC1 ZINC000012042134 221144943 /nfs/dbraw/zinc/14/49/43/221144943.db2.gz MVRCQGFRGPLNBT-HWQZLAKTSA-N 0 3 398.547 3.399 50 0 GGAAHN C/C(=C\c1ccccc1)CN1CCC2(CC[C@@H](CNC(=O)[C@@H]3CCCO3)O2)CC1 ZINC000012042124 221145592 /nfs/dbraw/zinc/14/55/92/221145592.db2.gz MVRCQGFRGPLNBT-MRTXAKHJSA-N 0 3 398.547 3.399 50 0 GGAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC(C(N)=O)CC2)c1 ZINC000012072975 221147204 /nfs/dbraw/zinc/14/72/04/221147204.db2.gz YXNXEABJFOGEPW-UHFFFAOYSA-N 0 3 390.487 3.245 50 0 GGAAHN CCCC[C@H]1CN(CCC(=O)NCCCn2cccn2)Cc2ccccc2O1 ZINC000012126381 221156371 /nfs/dbraw/zinc/15/63/71/221156371.db2.gz WQRJMGYHYDHKSP-FQEVSTJZSA-N 0 3 384.524 3.233 50 0 GGAAHN C[C@]1(C2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)NC(=O)NC1=O ZINC000012135543 221157732 /nfs/dbraw/zinc/15/77/32/221157732.db2.gz MTWMWPGNRQFNBG-HSZRJFAPSA-N 0 3 375.472 3.068 50 0 GGAAHN O=C(NC1CC1)c1cn(CC[C@H]2CCCCN2C/C=C/c2ccccc2)nn1 ZINC000012148752 221160411 /nfs/dbraw/zinc/16/04/11/221160411.db2.gz ZIODJKOKADZCHN-AQDCRGGLSA-N 0 3 379.508 3.128 50 0 GGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCc1cn[nH]c1 ZINC000012298987 221176304 /nfs/dbraw/zinc/17/63/04/221176304.db2.gz KJJLJQFOHJHYDT-OAQYLSRUSA-N 0 3 398.551 3.154 50 0 GGAAHN CC(=O)NCCNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012314370 221179012 /nfs/dbraw/zinc/17/90/12/221179012.db2.gz SJVKZBUVWIJXHC-UHFFFAOYSA-N 0 3 384.430 3.352 50 0 GGAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4n[nH]c5c4CCC5)C3)C2)c1 ZINC000012307315 221179275 /nfs/dbraw/zinc/17/92/75/221179275.db2.gz DPBYMTNSAYHONY-QHCPKHFHSA-N 0 3 394.519 3.035 50 0 GGAAHN COc1ccccc1/C=C/[C@@H]1C[C@H]2CN(Cc3cccnc3)C(=O)[C@]23CCCN13 ZINC000012307677 221179643 /nfs/dbraw/zinc/17/96/43/221179643.db2.gz SUKUVQVOJGBSOL-MOAFTDFKSA-N 0 3 389.499 3.369 50 0 GGAAHN CC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCCN(CCCc2ccccc2)C3)[nH]n1 ZINC000012306233 221179982 /nfs/dbraw/zinc/17/99/82/221179982.db2.gz GPNFLUWJTJTQQI-HSZRJFAPSA-N 0 3 394.519 3.173 50 0 GGAAHN COc1ccc(N[C@H]2CCCN(Cc3ccccc3OCCO)C2)cc1OC ZINC000012320437 221180622 /nfs/dbraw/zinc/18/06/22/221180622.db2.gz QAAQCZFRSCSATK-IBGZPJMESA-N 0 3 386.492 3.151 50 0 GGAAHN O=C(CCC1CCN(Cc2cccn2-c2cccnc2)CC1)NC[C@@H]1CCCO1 ZINC000012319756 221180865 /nfs/dbraw/zinc/18/08/65/221180865.db2.gz GMYRCUKNCIZIML-QFIPXVFZSA-N 0 3 396.535 3.160 50 0 GGAAHN CCOC(=O)C1(CCOC)CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000012318930 221180980 /nfs/dbraw/zinc/18/09/80/221180980.db2.gz QKIYXCAFWCJUMO-UHFFFAOYSA-N 0 3 392.515 3.476 50 0 GGAAHN O=C(CCC1CCN(Cc2cccn2-c2cccnc2)CC1)NC[C@H]1CCCO1 ZINC000012319757 221181458 /nfs/dbraw/zinc/18/14/58/221181458.db2.gz GMYRCUKNCIZIML-JOCHJYFZSA-N 0 3 396.535 3.160 50 0 GGAAHN CCn1cc([C@@H]2C[C@H]3CN(Cc4ccc(OC)cc4)C(=O)[C@]34CCCN24)c(C)n1 ZINC000012195602 221165325 /nfs/dbraw/zinc/16/53/25/221165325.db2.gz DJSFLVXARHQQTJ-HARLFGEKSA-N 0 3 394.519 3.158 50 0 GGAAHN COc1ccc(CC2(CO)CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000012199670 221166848 /nfs/dbraw/zinc/16/68/48/221166848.db2.gz BKFDMFULIHJPCO-UHFFFAOYSA-N 0 3 382.504 3.471 50 0 GGAAHN COCCNC(=O)c1ccc(OC2CCN([C@@H]3CCSC3)CC2)c(Cl)c1 ZINC000012209912 221167486 /nfs/dbraw/zinc/16/74/86/221167486.db2.gz FHGKMESMFHOWMJ-OAHLLOKOSA-N 0 3 398.956 3.065 50 0 GGAAHN COCCNC(=O)c1ccc(OC2CCN([C@H]3CCSC3)CC2)c(Cl)c1 ZINC000012209919 221167559 /nfs/dbraw/zinc/16/75/59/221167559.db2.gz FHGKMESMFHOWMJ-HNNXBMFYSA-N 0 3 398.956 3.065 50 0 GGAAHN CCN(CC)CCN(C(=O)c1cc(C)n(C)n1)c1nc2ccc(F)cc2s1 ZINC000012229224 221170913 /nfs/dbraw/zinc/17/09/13/221170913.db2.gz IJSWDYCVGZWHCO-UHFFFAOYSA-N 0 3 389.500 3.466 50 0 GGAAHN C/C=C(\C)CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012245563 221173111 /nfs/dbraw/zinc/17/31/11/221173111.db2.gz VREPFKMYUSXGDU-RPDKKYPRSA-N 0 3 385.512 3.213 50 0 GGAAHN CN1CCC[C@@]2(CCCN(C(=O)c3coc(COc4ccc(F)cc4)n3)C2)C1 ZINC000012429554 221191026 /nfs/dbraw/zinc/19/10/26/221191026.db2.gz QMEGKZYHYYNHSI-OAQYLSRUSA-N 0 3 387.455 3.341 50 0 GGAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CCCn3cncn3)C2)cc1 ZINC000012430891 221191093 /nfs/dbraw/zinc/19/10/93/221191093.db2.gz RSYWVWZZYUBKHH-NRFANRHFSA-N 0 3 383.540 3.038 50 0 GGAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)COc2ccccc2)C1 ZINC000012431053 221191165 /nfs/dbraw/zinc/19/11/65/221191165.db2.gz BBWZRTSTDLXZCF-HXUWFJFHSA-N 0 3 396.531 3.487 50 0 GGAAHN CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CCCn3cncn3)C2)cc1 ZINC000012430890 221191199 /nfs/dbraw/zinc/19/11/99/221191199.db2.gz RSYWVWZZYUBKHH-OAQYLSRUSA-N 0 3 383.540 3.038 50 0 GGAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCCC(=O)OC ZINC000012430896 221191789 /nfs/dbraw/zinc/19/17/89/221191789.db2.gz MMFIZSAONRBEEZ-IBGZPJMESA-N 0 3 392.515 3.272 50 0 GGAAHN COc1cccc(C[C@]2(CO)CCCN(Cc3ccc4c(c3)OCCO4)C2)c1 ZINC000012429938 221191979 /nfs/dbraw/zinc/19/19/79/221191979.db2.gz YDABJGLOBDRACE-HSZRJFAPSA-N 0 3 383.488 3.284 50 0 GGAAHN Cc1cccc2nc(C(=O)N(C)[C@@H]3CCCN(CCc4ccccc4)C3)cn21 ZINC000012434079 221192856 /nfs/dbraw/zinc/19/28/56/221192856.db2.gz LMZWMZRCNDRLSC-HXUWFJFHSA-N 0 3 376.504 3.422 50 0 GGAAHN COc1cc(-c2n[nH]cc2CN(CCO)Cc2ccccc2)cc(OC)c1OC ZINC000012434125 221193047 /nfs/dbraw/zinc/19/30/47/221193047.db2.gz HPYBLYGWJYTSTP-UHFFFAOYSA-N 0 3 397.475 3.097 50 0 GGAAHN Cc1ncsc1CCCNCc1c(C(=O)N2CCCC2)nc2sccn12 ZINC000012434085 221193077 /nfs/dbraw/zinc/19/30/77/221193077.db2.gz JXWKOXRVGLNPHP-UHFFFAOYSA-N 0 3 389.550 3.119 50 0 GGAAHN COc1ccc(/C=C/[C@@H]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@]34CCCN24)cc1 ZINC000012435298 221193558 /nfs/dbraw/zinc/19/35/58/221193558.db2.gz JHONUAFSBSJELG-UJPFPMDASA-N 0 3 389.499 3.369 50 0 GGAAHN O=C(CCC1CCN(Cc2cccc3c2OCO3)CC1)NCc1cccnc1 ZINC000012432785 221193949 /nfs/dbraw/zinc/19/39/49/221193949.db2.gz FUSXAJDDRIXAMJ-UHFFFAOYSA-N 0 3 381.476 3.119 50 0 GGAAHN COc1cc(/C=C/[C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCCN24)ccc1O ZINC000012439358 221196083 /nfs/dbraw/zinc/19/60/83/221196083.db2.gz BAKMNIUMNVULRT-CJQWHWIXSA-N 0 3 382.504 3.422 50 0 GGAAHN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2ccc(OC)cc2OC)C1 ZINC000012447883 221196855 /nfs/dbraw/zinc/19/68/55/221196855.db2.gz YDRXOGQNTPZBIH-SFHVURJKSA-N 0 3 383.492 3.226 50 0 GGAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2cccnc2OC)CC1 ZINC000012457693 221198051 /nfs/dbraw/zinc/19/80/51/221198051.db2.gz KNLNMWKZURHYSA-UHFFFAOYSA-N 0 3 397.519 3.126 50 0 GGAAHN CC(C)(C)CN1CCC[C@H](CNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000012457553 221198482 /nfs/dbraw/zinc/19/84/82/221198482.db2.gz KAOMHXJAISWPGV-MRXNPFEDSA-N 0 3 375.538 3.271 50 0 GGAAHN CCOC(=O)C[C@H]1CCCCN1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000012593509 221210931 /nfs/dbraw/zinc/21/09/31/221210931.db2.gz JACKCUAJJZMUJC-GOSISDBHSA-N 0 3 399.491 3.166 50 0 GGAAHN Cc1cc(C)n(CCC(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)n1 ZINC000012570408 221208407 /nfs/dbraw/zinc/20/84/07/221208407.db2.gz YJFQWPSXEZCIEL-QFIPXVFZSA-N 0 3 382.552 3.446 50 0 GGAAHN Fc1cccc(-c2cnnc(N3CCN([C@@H]4CCc5ccccc5C4)CC3)n2)c1 ZINC000012582853 221209595 /nfs/dbraw/zinc/20/95/95/221209595.db2.gz RDIAMWNNEQDMQU-OAQYLSRUSA-N 0 3 389.478 3.357 50 0 GGAAHN CCn1nc(C)cc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000012581960 221209743 /nfs/dbraw/zinc/20/97/43/221209743.db2.gz TXQSNCUHUTXOBL-QFIPXVFZSA-N 0 3 384.499 3.479 50 0 GGAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012577621 221210003 /nfs/dbraw/zinc/21/00/03/221210003.db2.gz ATBHOYQKQNWJJM-OAQYLSRUSA-N 0 3 397.563 3.422 50 0 GGAAHN OC[C@@]1(Cc2ccc(F)cc2)CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000012386783 221187375 /nfs/dbraw/zinc/18/73/75/221187375.db2.gz NFZWELVEOIONBF-JOCHJYFZSA-N 0 3 380.467 3.224 50 0 GGAAHN CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)cc1 ZINC000012387547 221187580 /nfs/dbraw/zinc/18/75/80/221187580.db2.gz MIENLOUKRRFJEJ-DEOSSOPVSA-N 0 3 397.563 3.247 50 0 GGAAHN CN1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012385317 221188107 /nfs/dbraw/zinc/18/81/07/221188107.db2.gz UVAYMARMCQCKBV-LJQANCHMSA-N 0 3 380.488 3.442 50 0 GGAAHN CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1csnn1 ZINC000012595733 221213093 /nfs/dbraw/zinc/21/30/93/221213093.db2.gz PYQMCDWATFMJPC-HNNXBMFYSA-N 0 3 378.929 3.218 50 0 GGAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cn1ccc(C)n1 ZINC000012593724 221213270 /nfs/dbraw/zinc/21/32/70/221213270.db2.gz AITYUNCQEZMICJ-NRFANRHFSA-N 0 3 398.551 3.003 50 0 GGAAHN COc1ccc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc1OC ZINC000012706037 221219544 /nfs/dbraw/zinc/21/95/44/221219544.db2.gz HHCLOVKFQIGCOO-QGZVFWFLSA-N 0 3 386.467 3.485 50 0 GGAAHN CCOC(=O)C[C@@H]1CCCCN1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000012593505 221211246 /nfs/dbraw/zinc/21/12/46/221211246.db2.gz JACKCUAJJZMUJC-SFHVURJKSA-N 0 3 399.491 3.166 50 0 GGAAHN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4c(C)cc(C)[nH]c4=O)C3)C2)c1 ZINC000012592630 221211421 /nfs/dbraw/zinc/21/14/21/221211421.db2.gz JKUIHRMUASKPMY-DEOSSOPVSA-N 0 3 393.531 3.428 50 0 GGAAHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4c(C)cc(C)[nH]c4=O)C3)C2)c1 ZINC000012592625 221211706 /nfs/dbraw/zinc/21/17/06/221211706.db2.gz JKUIHRMUASKPMY-XMMPIXPASA-N 0 3 393.531 3.428 50 0 GGAAHN O=C(CCN1CCCCO1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000012747870 221223728 /nfs/dbraw/zinc/22/37/28/221223728.db2.gz NGMFTUSCZYHMMN-JOCHJYFZSA-N 0 3 389.515 3.058 50 0 GGAAHN CC(=O)c1ccc(OCC(=O)N2CCC[C@H](N(C)CCc3ccccc3)C2)cc1 ZINC000012762004 221227767 /nfs/dbraw/zinc/22/77/67/221227767.db2.gz GKACJCHHYVWVIM-QFIPXVFZSA-N 0 3 394.515 3.434 50 0 GGAAHN Cc1noc2nc(C)cc(C(=O)N3CCN(C4C5CC6CC(C5)CC4C6)CC3)c12 ZINC000013641909 221278247 /nfs/dbraw/zinc/27/82/47/221278247.db2.gz VXPBQAFDDNMODI-UHFFFAOYSA-N 0 3 394.519 3.422 50 0 GGAAHN Cc1c2cc(Br)ccc2oc1C(=O)N1CCOC12CCN(C)CC2 ZINC000013691600 221282538 /nfs/dbraw/zinc/28/25/38/221282538.db2.gz VHTMSCXOQQOREC-UHFFFAOYSA-N 0 3 393.281 3.398 50 0 GGAAHN CN(Cc1ccsc1)[C@@H]1CCc2c(c(C(=O)N3CCCCCC3)nn2C)C1 ZINC000014541026 221312073 /nfs/dbraw/zinc/31/20/73/221312073.db2.gz FTWLWJMJCSRMSS-QGZVFWFLSA-N 0 3 386.565 3.487 50 0 GGAAHN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014541291 221312315 /nfs/dbraw/zinc/31/23/15/221312315.db2.gz BJXUGPHMKWUQTG-UHFFFAOYSA-N 0 3 398.532 3.005 50 0 GGAAHN O=S(=O)(C1CC1)N1CCC([C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000014969450 221321331 /nfs/dbraw/zinc/32/13/31/221321331.db2.gz RMFBBAFKMMEBTB-KRWDZBQOSA-N 0 3 382.957 3.366 50 0 GGAAHN COC[C@H]1CCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)C1 ZINC000014965313 221321492 /nfs/dbraw/zinc/32/14/92/221321492.db2.gz JEUXMLSZZNLSTK-KRWDZBQOSA-N 0 3 390.524 3.055 50 0 GGAAHN CC(=O)c1ccc(OCC(=O)N[C@H]2CCCN(CCc3ccccc3)C2)cc1 ZINC000014965269 221321518 /nfs/dbraw/zinc/32/15/18/221321518.db2.gz BJEDWAQDBLBXKB-NRFANRHFSA-N 0 3 380.488 3.091 50 0 GGAAHN OCCOc1ccc(CN[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC000014973680 221321652 /nfs/dbraw/zinc/32/16/52/221321652.db2.gz DEEPFZMBGYKOOX-QGZVFWFLSA-N 0 3 383.517 3.426 50 0 GGAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN([C@@H]3CCSC3)CC2)c1 ZINC000014965374 221322282 /nfs/dbraw/zinc/32/22/82/221322282.db2.gz JBDMFMGUGZQDOX-MRXNPFEDSA-N 0 3 390.549 3.280 50 0 GGAAHN CN(C)[C@@H]1CCN(C(=O)c2coc(COc3cccc(C(F)(F)F)c3)n2)C1 ZINC000014975802 221322942 /nfs/dbraw/zinc/32/29/42/221322942.db2.gz GMKBZRKOSINYOT-CYBMUJFWSA-N 0 3 383.370 3.049 50 0 GGAAHN Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1ccccc1F)C2 ZINC000014542303 221312634 /nfs/dbraw/zinc/31/26/34/221312634.db2.gz IJLKWOWZYRZFOF-KRWDZBQOSA-N 0 3 384.499 3.223 50 0 GGAAHN C/C(=C\c1ccco1)CN1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2C ZINC000014747630 221315254 /nfs/dbraw/zinc/31/52/54/221315254.db2.gz YXHAUWDJAWBXHX-GHRIWEEISA-N 0 3 394.475 3.007 50 0 GGAAHN CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](N(C)Cc1ccco1)CC2 ZINC000014746169 221316150 /nfs/dbraw/zinc/31/61/50/221316150.db2.gz TZZJZQSGRVBNOK-GOSISDBHSA-N 0 3 392.503 3.216 50 0 GGAAHN CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1cccnc1)C2 ZINC000014749693 221316209 /nfs/dbraw/zinc/31/62/09/221316209.db2.gz SNDNHHZSJVIJSJ-LJQANCHMSA-N 0 3 395.551 3.351 50 0 GGAAHN CN1CCC(C(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ccncc4)c3O2)CC1 ZINC000014882605 221317281 /nfs/dbraw/zinc/31/72/81/221317281.db2.gz KIFZXVYKHXFVRU-GOSISDBHSA-N 0 3 385.895 3.164 50 0 GGAAHN COc1cc(C[C@@H](C)N2CCC3(C[C@H]3C(=O)NCc3ccco3)CC2)ccc1O ZINC000014958785 221320232 /nfs/dbraw/zinc/32/02/32/221320232.db2.gz ULPLRWCSLYNASL-APWZRJJASA-N 0 3 398.503 3.343 50 0 GGAAHN COC(=O)c1ccc(NC(=O)N2CCC[C@@H](N(C)CCc3ccccn3)C2)cc1 ZINC000014981563 221325251 /nfs/dbraw/zinc/32/52/51/221325251.db2.gz IANPAZSPGGTNRB-HXUWFJFHSA-N 0 3 396.491 3.039 50 0 GGAAHN CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc4cccnc4c3)C2)nn1 ZINC000015003490 221326139 /nfs/dbraw/zinc/32/61/39/221326139.db2.gz KYJBGJPAAUYXQF-LJQANCHMSA-N 0 3 392.507 3.145 50 0 GGAAHN COCCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000015067897 221329116 /nfs/dbraw/zinc/32/91/16/221329116.db2.gz HZLSNLSDIRDFQG-UHFFFAOYSA-N 0 3 386.458 3.455 50 0 GGAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3ccoc3C)C2)cc1OC ZINC000015069047 221330218 /nfs/dbraw/zinc/33/02/18/221330218.db2.gz XHRQYASZKZLZSI-GOSISDBHSA-N 0 3 386.492 3.384 50 0 GGAAHN Cc1nonc1[C@@H]1CCCN1C(=O)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000015072120 221330802 /nfs/dbraw/zinc/33/08/02/221330802.db2.gz PHNYQBCZRSPQSL-IBGZPJMESA-N 0 3 380.492 3.065 50 0 GGAAHN CCn1cc(CN2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)c(C)n1 ZINC000015075550 221330817 /nfs/dbraw/zinc/33/08/17/221330817.db2.gz XMLWGJBGWOVTMC-HSZRJFAPSA-N 0 3 396.535 3.235 50 0 GGAAHN CC(C)CNC(=O)c1cn(C2CCN([C@@H](C)Cc3ccccc3F)CC2)nn1 ZINC000015071573 221330907 /nfs/dbraw/zinc/33/09/07/221330907.db2.gz LVOFVFAGDXTAFG-INIZCTEOSA-N 0 3 387.503 3.071 50 0 GGAAHN O=C(CCC1CCN(Cc2ccc3cc(F)ccc3n2)CC1)N1CCOCC1 ZINC000015074875 221331534 /nfs/dbraw/zinc/33/15/34/221331534.db2.gz KSCYSMLQICBHFV-UHFFFAOYSA-N 0 3 385.483 3.225 50 0 GGAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 ZINC000016622021 221366586 /nfs/dbraw/zinc/36/65/86/221366586.db2.gz UBJBUYOWEFBPJV-SFHVURJKSA-N 0 3 381.476 3.410 50 0 GGAAHN Cc1nccn1CC[N@@H+](C)Cc1cccc(-c2nc3c(c(=O)[n-]2)CCCCC3)c1 ZINC000019113591 221396548 /nfs/dbraw/zinc/39/65/48/221396548.db2.gz LBOBJFUNDJQRQR-UHFFFAOYSA-N 0 3 391.519 3.343 50 0 GGAAHN Cc1nccn1CC[N@H+](C)Cc1cccc(-c2nc3c(c(=O)[n-]2)CCCCC3)c1 ZINC000019113591 221396550 /nfs/dbraw/zinc/39/65/50/221396550.db2.gz LBOBJFUNDJQRQR-UHFFFAOYSA-N 0 3 391.519 3.343 50 0 GGAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCCc1cscn1 ZINC000020598546 221502113 /nfs/dbraw/zinc/50/21/13/221502113.db2.gz BYUKKBIJKNEFGF-UHFFFAOYSA-N 0 3 397.548 3.448 50 0 GGAAHN CN1C(=O)N(Cc2ccccc2)C2(CCN(CCc3ccccc3)CC2)C1=O ZINC000020599795 221501171 /nfs/dbraw/zinc/50/11/71/221501171.db2.gz JAIUVQVIAGQHIP-UHFFFAOYSA-N 0 3 377.488 3.158 50 0 GGAAHN COc1ccc(-c2noc(-c3ccc(N4CCN5CCC[C@@H]5C4)nc3)n2)cc1 ZINC000039489568 132391528 /nfs/dbraw/zinc/39/15/28/132391528.db2.gz BXOQRMJUOANRJS-QGZVFWFLSA-N 0 3 377.448 3.092 50 0 GGAAHN COc1ccccc1-c1ccc(N2CCC([C@@H](C)N3CCOCC3)CC2)nn1 ZINC000071759050 136166199 /nfs/dbraw/zinc/16/61/99/136166199.db2.gz VMZSTIBFCNPAIH-QGZVFWFLSA-N 0 3 382.508 3.089 50 0 GGAAHN COc1ccccc1-c1ccc(N2CCC([C@H](C)N3CCOCC3)CC2)nn1 ZINC000071759049 136166241 /nfs/dbraw/zinc/16/62/41/136166241.db2.gz VMZSTIBFCNPAIH-KRWDZBQOSA-N 0 3 382.508 3.089 50 0 GGAAHN CCc1cnc(C)nc1N1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072153123 136167143 /nfs/dbraw/zinc/16/71/43/136167143.db2.gz FEXXZNHRGIUMGA-HXUWFJFHSA-N 0 3 395.551 3.147 50 0 GGAAHN CCc1cc(N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)nc(C)n1 ZINC000072163882 136167348 /nfs/dbraw/zinc/16/73/48/136167348.db2.gz UQORHBUGEOOUOJ-OAQYLSRUSA-N 0 3 379.552 3.447 50 0 GGAAHN Cc1nnc([C@H](C)NC2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)[nH]1 ZINC000095497316 136179675 /nfs/dbraw/zinc/17/96/75/136179675.db2.gz AXHDLABWSZSRDP-HNNXBMFYSA-N 0 3 377.496 3.198 50 0 GGAAHN COc1cccc2ccc(N3CCC(c4nccn4CCN(C)C)CC3)nc21 ZINC000095498342 136179732 /nfs/dbraw/zinc/17/97/32/136179732.db2.gz LQZALESCYPQAQN-UHFFFAOYSA-N 0 3 379.508 3.386 50 0 GGAAHN OCC[C@@H]1CN(c2cccc(C(F)(F)F)n2)CCN1CCc1ccccc1 ZINC000106953186 136191683 /nfs/dbraw/zinc/19/16/83/136191683.db2.gz IGPKWRDETKPSOW-QGZVFWFLSA-N 0 3 379.426 3.216 50 0 GGAAHN COCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2C)n2c3ccccc3nc21 ZINC000023411149 221596892 /nfs/dbraw/zinc/59/68/92/221596892.db2.gz TYPLWDUBZQVZKF-LJQANCHMSA-N 0 3 392.459 3.216 50 0 GGAAHN CC[C@H](Oc1ccccc1F)C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000027741722 221659454 /nfs/dbraw/zinc/65/94/54/221659454.db2.gz NDEIHZJKANZBMK-IBGZPJMESA-N 0 3 391.531 3.050 50 0 GGAAHN COc1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000057128991 222030202 /nfs/dbraw/zinc/03/02/02/222030202.db2.gz FPVRTGVPGJESJU-QUZZAMIASA-N 0 3 391.471 3.274 50 0 GGAAHN CCN(Cc1ccccc1)CC1=NC(=O)N[C@H](c2cccs2)C1C(=O)OC ZINC000057415881 222031422 /nfs/dbraw/zinc/03/14/22/222031422.db2.gz MNVSWDBQGNDCPV-GOSISDBHSA-N 0 3 385.489 3.051 50 0 GGAAHN CCN(Cc1ccccc1)CC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2)NC(=O)N1 ZINC000051318296 222004312 /nfs/dbraw/zinc/00/43/12/222004312.db2.gz SFXLJIMQRKSLST-OAQYLSRUSA-N 0 3 393.487 3.298 50 0 GGAAHN COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccncc1)C(C)(C)C)CC2 ZINC000052607342 222006178 /nfs/dbraw/zinc/00/61/78/222006178.db2.gz COFVZFLCAOUMJT-OAQYLSRUSA-N 0 3 397.519 3.188 50 0 in-vitro GGAAHN COC(=O)C1=C(CNCc2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000054979062 222014872 /nfs/dbraw/zinc/01/48/72/222014872.db2.gz XSBVWGNGFDSQJB-HXUWFJFHSA-N 0 3 397.450 3.013 50 0 GGAAHN COc1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23c2cc(C)ccc2NC3=O)cc1 ZINC000061999542 222065237 /nfs/dbraw/zinc/06/52/37/222065237.db2.gz AIGVRVSZUIFPMJ-QUZZAMIASA-N 0 3 391.471 3.274 50 0 biogenic GGAAHN Cc1ccc2c(C(=O)N3CC[C@H](N(C)C)C3)cc(-c3cncnc3)nc2c1C ZINC000063834100 222068091 /nfs/dbraw/zinc/06/80/91/222068091.db2.gz VDLPVSKALGACQQ-KRWDZBQOSA-N 0 3 375.476 3.085 50 0 GGAAHN Cc1ccc2c(C(=O)N(C)C[C@@H]3CCCN3C)cc(-c3cnn(C)c3)nc2c1C ZINC000063844980 222068107 /nfs/dbraw/zinc/06/81/07/222068107.db2.gz VJRRXJZCNMZBER-SFHVURJKSA-N 0 3 391.519 3.418 50 0 GGAAHN Cc1cccc2c(C(=O)N(C)CC3CCN(C)CC3)cc(-c3cnn(C)c3)nc12 ZINC000063856149 222069675 /nfs/dbraw/zinc/06/96/75/222069675.db2.gz JPAMZJZKKBYMOJ-UHFFFAOYSA-N 0 3 391.519 3.358 50 0 GGAAHN CCc1ncc(CN2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000071750145 222189366 /nfs/dbraw/zinc/18/93/66/222189366.db2.gz KGHTUDWBXTZFCS-MDNUFGMLSA-N 0 3 378.520 3.110 50 0 GGAAHN Cc1cc2oc(=O)cc(CNCCc3nc(-c4ccccn4)no3)c2cc1C ZINC000065376487 222126423 /nfs/dbraw/zinc/12/64/23/222126423.db2.gz LWMVYMMENFXEPN-UHFFFAOYSA-N 0 3 376.416 3.187 50 0 GGAAHN COCCN1CCC(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)CC1 ZINC000065403918 222127593 /nfs/dbraw/zinc/12/75/93/222127593.db2.gz YKVUQGWTDTZGIL-HSZRJFAPSA-N 0 3 384.520 3.202 50 0 GGAAHN Cc1ncc(CO)c(C[N@@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1[O-] ZINC000065419441 222127974 /nfs/dbraw/zinc/12/79/74/222127974.db2.gz ZQJCJBDNBCGVRJ-GOSISDBHSA-N 0 3 391.471 3.345 50 0 GGAAHN Cc1ncc(CO)c(C[N@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1[O-] ZINC000065419441 222127978 /nfs/dbraw/zinc/12/79/78/222127978.db2.gz ZQJCJBDNBCGVRJ-GOSISDBHSA-N 0 3 391.471 3.345 50 0 GGAAHN O=C(CCN1CCC([C@@H](O)c2cccs2)CC1)N1CCc2ccccc2C1 ZINC000065424130 222129820 /nfs/dbraw/zinc/12/98/20/222129820.db2.gz LXDONXBVSDMVNJ-JOCHJYFZSA-N 0 3 384.545 3.469 50 0 GGAAHN CC[C@H](Cn1cnc(-c2ccccc2)c1-c1cnn(CC)c1)N1CCN(C)CC1 ZINC000065492556 222131764 /nfs/dbraw/zinc/13/17/64/222131764.db2.gz OIFAZKDNOCHISJ-OAQYLSRUSA-N 0 3 392.551 3.460 50 0 GGAAHN Cc1ccc(-c2nc(NCCN3CCC[C@@H](O)C3)ncc2-c2cccnc2)cc1 ZINC000065526201 222133119 /nfs/dbraw/zinc/13/31/19/222133119.db2.gz PFBDEUZXIMQFID-HXUWFJFHSA-N 0 3 389.503 3.383 50 0 GGAAHN Cc1nn(C)c(C)c1NC(=O)c1ccc(CN2CCC[C@H]2Cn2cccn2)cc1 ZINC000065508201 222133263 /nfs/dbraw/zinc/13/32/63/222133263.db2.gz KCTOKMNBKRTKGS-FQEVSTJZSA-N 0 3 392.507 3.150 50 0 GGAAHN O=C1N(CC2CCCCC2)CCC[C@]1(O)CNCc1cc2cc(F)ccc2[nH]1 ZINC000067458870 222146777 /nfs/dbraw/zinc/14/67/77/222146777.db2.gz NEJMGBVAWQUMMF-QFIPXVFZSA-N 0 3 387.499 3.330 50 0 GGAAHN Cc1cc(C)c2nc(C)cc(C(=O)N3CCC4(CC3)CN(C)CCN4C)c2c1 ZINC000067473225 222146928 /nfs/dbraw/zinc/14/69/28/222146928.db2.gz JWZPCSITGMCQBM-UHFFFAOYSA-N 0 3 380.536 3.012 50 0 GGAAHN CCNc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(C)n1 ZINC000067601760 222149527 /nfs/dbraw/zinc/14/95/27/222149527.db2.gz VKZHZUGWISBJEJ-UHFFFAOYSA-N 0 3 375.476 3.332 50 0 GGAAHN O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1cc2ccccc2[nH]1 ZINC000067588027 222150031 /nfs/dbraw/zinc/15/00/31/222150031.db2.gz SPNGMLCAMVZTKC-XMMPIXPASA-N 0 3 391.515 3.244 50 0 GGAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1Cl ZINC000067613057 222152604 /nfs/dbraw/zinc/15/26/04/222152604.db2.gz BBXPAOXLGUKZPH-UHFFFAOYSA-N 0 3 388.903 3.167 50 0 GGAAHN CCNc1cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)nc(C)n1 ZINC000067612872 222152732 /nfs/dbraw/zinc/15/27/32/222152732.db2.gz XZXFWIIBTKYKGD-UHFFFAOYSA-N 0 3 375.476 3.332 50 0 GGAAHN NC(=O)CCn1cc(CNCc2cnn(-c3ccc(F)cc3)c2)c2ccccc21 ZINC000067673426 222154081 /nfs/dbraw/zinc/15/40/81/222154081.db2.gz CQJZPBIEWPHFDJ-UHFFFAOYSA-N 0 3 391.450 3.131 50 0 GGAAHN c1cc(-c2ccc(CN3CCC[C@@H](c4nc(-c5cccnc5)no4)C3)o2)n[nH]1 ZINC000067725239 222156204 /nfs/dbraw/zinc/15/62/04/222156204.db2.gz ONFDLBGOILDIGH-OAHLLOKOSA-N 0 3 376.420 3.494 50 0 GGAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccc4ncsc4c3)cnn2c1 ZINC000067754980 222157960 /nfs/dbraw/zinc/15/79/60/222157960.db2.gz USKJVEJHNLDCPX-UHFFFAOYSA-N 0 3 380.477 3.433 50 0 GGAAHN CC[C@@H]1CN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)CCN1 ZINC000067847181 222163113 /nfs/dbraw/zinc/16/31/13/222163113.db2.gz QFEPNJXRXYUGRX-QGZVFWFLSA-N 0 3 395.459 3.239 50 0 GGAAHN CC(C)c1ccc(CN2CCC[C@](O)(CN(C)CCc3ccccn3)C2=O)cc1 ZINC000067847114 222163676 /nfs/dbraw/zinc/16/36/76/222163676.db2.gz MELJZOMKAQWIKV-DEOSSOPVSA-N 0 3 395.547 3.233 50 0 GGAAHN CCn1cc(CN2CC[C@@]3(C2)CCCN(C(=O)CCc2ccccc2)C3)cn1 ZINC000067872989 222164947 /nfs/dbraw/zinc/16/49/47/222164947.db2.gz OEALEJFYBSJTOC-HSZRJFAPSA-N 0 3 380.536 3.350 50 0 GGAAHN Cc1cccc(CN2CC[C@]3(C2)CCCN(C(=O)COc2ccccc2)C3)n1 ZINC000067885299 222165127 /nfs/dbraw/zinc/16/51/27/222165127.db2.gz OZRZRPSAFWPEQR-QHCPKHFHSA-N 0 3 379.504 3.284 50 0 GGAAHN CC(C)[C@@H](C(=O)N1CCC2(CC1)CN(C)CCN2C)c1ccc(Cl)cc1 ZINC000067883997 222166015 /nfs/dbraw/zinc/16/60/15/222166015.db2.gz OLOYTTFDOHQRBY-LJQANCHMSA-N 0 3 377.960 3.318 50 0 GGAAHN Cc1ncc2c(c1-c1noc(-c3ccccc3NC(=O)C(C)C)n1)CCNC2 ZINC000067878358 222166096 /nfs/dbraw/zinc/16/60/96/222166096.db2.gz ODUDGKVTIMYHRG-UHFFFAOYSA-N 0 3 377.448 3.347 50 0 GGAAHN CNC(=O)[C@@H]1CCN(Cc2nc(-c3ccc(OC)c4ccccc34)oc2C)C1 ZINC000067908752 222167052 /nfs/dbraw/zinc/16/70/52/222167052.db2.gz HACVSLCTJAHEHK-OAHLLOKOSA-N 0 3 379.460 3.380 50 0 GGAAHN O=C(CCN1CCc2n[nH]c(-c3ccc(F)c(F)c3)c2C1)Nc1cccnc1 ZINC000067973559 222169285 /nfs/dbraw/zinc/16/92/85/222169285.db2.gz CKHRGCSZYWLGTN-UHFFFAOYSA-N 0 3 383.402 3.137 50 0 GGAAHN O=C1CC[C@@H](NCc2nncn2C2CCCCC2)CCN1Cc1ccccc1 ZINC000067983068 222170833 /nfs/dbraw/zinc/17/08/33/222170833.db2.gz WDALQOCHIJUWBQ-LJQANCHMSA-N 0 3 381.524 3.454 50 0 GGAAHN CC(=O)Nc1ccc(NC(=O)CC2C(=O)Nc3c(-c4ccccc4)cnn32)cc1 ZINC000071289112 222180560 /nfs/dbraw/zinc/18/05/60/222180560.db2.gz VDUVZCKNVFVVCG-GOSISDBHSA-N 0 3 389.415 3.031 50 0 GGAAHN COc1ccc([C@@H]2CN(C(=O)c3cccc(O)c3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071419482 222183079 /nfs/dbraw/zinc/18/30/79/222183079.db2.gz BBAFTNSEWNLQTJ-MDNUFGMLSA-N 0 3 392.499 3.412 50 0 GGAAHN COCc1ncc(CN2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cn1 ZINC000071405561 222183584 /nfs/dbraw/zinc/18/35/84/222183584.db2.gz JGIAOMVLEDRIBL-OAQYLSRUSA-N 0 3 386.515 3.495 50 0 GGAAHN CNC(=O)c1ccnc(N2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071639437 222186440 /nfs/dbraw/zinc/18/64/40/222186440.db2.gz SXCOUWSXJJDVRP-FQEVSTJZSA-N 0 3 384.499 3.317 50 0 GGAAHN COc1ccc2cc(C(=O)[C@H]3CCCN(CCCn4nnnc4C)C3)ccc2c1 ZINC000071746230 222186980 /nfs/dbraw/zinc/18/69/80/222186980.db2.gz QNCXQGALJCSBNX-FQEVSTJZSA-N 0 3 393.491 3.128 50 0 GGAAHN Cc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c(=O)[nH]1 ZINC000071745655 222188056 /nfs/dbraw/zinc/18/80/56/222188056.db2.gz DLQJEOWCUBTVDL-FQEVSTJZSA-N 0 3 385.483 3.195 50 0 GGAAHN Cn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1ccc2cc(Cl)ccc2n1 ZINC000071763227 222193514 /nfs/dbraw/zinc/19/35/14/222193514.db2.gz WBUYVXXAQAFYGW-IBGZPJMESA-N 0 3 378.867 3.493 50 0 GGAAHN CN(C(=O)COc1ccccc1O)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000072121105 222207762 /nfs/dbraw/zinc/20/77/62/222207762.db2.gz IOQZQOSUMJDASL-FQEVSTJZSA-N 0 3 382.504 3.327 50 0 GGAAHN Clc1ccccc1-c1cc(C2CCN(Cc3cc4n(n3)CCNC4)CC2)[nH]n1 ZINC000072120936 222207811 /nfs/dbraw/zinc/20/78/11/222207811.db2.gz ACEMXLIYGWTVSV-UHFFFAOYSA-N 0 3 396.926 3.409 50 0 GGAAHN Cc1ccccc1N1CCN([C@H]2CCCN(c3ncnc4[nH]ccc43)C2)CC1 ZINC000072135176 222210041 /nfs/dbraw/zinc/21/00/41/222210041.db2.gz MZUZZFCAUOBHMW-SFHVURJKSA-N 0 3 376.508 3.057 50 0 GGAAHN CC(C)[C@@H]1CN(C(=O)CCc2cnn(C)c2)CCCN1Cc1ccc(F)cc1 ZINC000072135566 222210394 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CCn1c(Cn2ccnc2C)nnc1C1CCN(CCCC(F)(F)F)CC1 ZINC000096133729 222386679 /nfs/dbraw/zinc/38/66/79/222386679.db2.gz YQQBCRMCCXEGAJ-UHFFFAOYSA-N 0 3 384.450 3.373 50 0 GGAAHN COc1ccc(CN2CCC(c3nnc(CN4CCCCC4)n3C)CC2)cc1 ZINC000096142119 222388064 /nfs/dbraw/zinc/38/80/64/222388064.db2.gz PUACBMSKWBOHLO-UHFFFAOYSA-N 0 3 383.540 3.189 50 0 GGAAHN Cc1cc(NC(=O)N2CC[C@H](N(C)C)C2)n(-c2cc(C)c3ccccc3n2)n1 ZINC000096148725 222390324 /nfs/dbraw/zinc/39/03/24/222390324.db2.gz NIQNFTGBNOLCPL-INIZCTEOSA-N 0 3 378.480 3.205 50 0 GGAAHN CN1CCC(Cc2nc(COC[C@@H]3CCCO3)n(C3CCCCC3)n2)CC1 ZINC000096152223 222391282 /nfs/dbraw/zinc/39/12/82/222391282.db2.gz WNYDEXGJQFHXPZ-IBGZPJMESA-N 0 3 376.545 3.363 50 0 GGAAHN CCCN1CCc2nc[nH]c2C12CCN(Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000096151559 222391746 /nfs/dbraw/zinc/39/17/46/222391746.db2.gz FHZAIJDCGVKKPF-UHFFFAOYSA-N 0 3 380.496 3.152 50 0 GGAAHN COCCN1CCC(CN(C)C(=O)Nc2cccc(N3CCCC3)c2C)CC1 ZINC000096165691 222394888 /nfs/dbraw/zinc/39/48/88/222394888.db2.gz JCVSBMFKUAGPNC-UHFFFAOYSA-N 0 3 388.556 3.417 50 0 GGAAHN Cn1c(Cn2cccn2)nnc1C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000096180780 222396399 /nfs/dbraw/zinc/39/63/99/222396399.db2.gz AIGOIIUNWQPVFY-UHFFFAOYSA-N 0 3 376.464 3.186 50 0 GGAAHN COc1cccc(CN2CC3(CC2=O)CCN(Cc2scnc2C)CC3)c1 ZINC000095520390 222345803 /nfs/dbraw/zinc/34/58/03/222345803.db2.gz IBYZGQMTMYQRMQ-UHFFFAOYSA-N 0 3 385.533 3.475 50 0 GGAAHN O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000095520554 222346057 /nfs/dbraw/zinc/34/60/57/222346057.db2.gz GIYVEHWHVOJERO-KRWDZBQOSA-N 0 3 386.467 3.141 50 0 GGAAHN Cc1c[nH]c(CN2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)c(C)c1=O ZINC000426510857 533980864 /nfs/dbraw/zinc/98/08/64/533980864.db2.gz PRURDAJJFWVDQO-QHCPKHFHSA-N 0 3 397.494 3.146 50 0 GGAAHN Cc1c[nH]c(CN2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)c(C)c1=O ZINC000426510856 533980929 /nfs/dbraw/zinc/98/09/29/533980929.db2.gz PRURDAJJFWVDQO-HSZRJFAPSA-N 0 3 397.494 3.146 50 0 GGAAHN COc1ccccc1N1CCN(Cc2cc(CN3CCCC3)cs2)CC1=O ZINC000426677486 534135107 /nfs/dbraw/zinc/13/51/07/534135107.db2.gz NLBZDWNZXLNSSW-UHFFFAOYSA-N 0 3 385.533 3.201 50 0 GGAAHN COC(=O)c1cccc(CN2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)c1 ZINC000426740678 534263086 /nfs/dbraw/zinc/26/30/86/534263086.db2.gz YKMRRDLSWJKTNH-HXUWFJFHSA-N 0 3 378.472 3.112 50 0 GGAAHN Cc1ccn2c(c1)nc(C(=O)N1CCC(N3CCc4ccccc4C3)CC1)c2F ZINC000426505591 534349002 /nfs/dbraw/zinc/34/90/02/534349002.db2.gz AKJBXGHBZJOTGF-UHFFFAOYSA-N 0 3 392.478 3.445 50 0 GGAAHN O=C(NCCc1ccc(Cl)cc1)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000426376573 534448713 /nfs/dbraw/zinc/44/87/13/534448713.db2.gz UZUGAYSJOQKVRQ-IBGZPJMESA-N 0 3 379.932 3.169 50 0 GGAAHN C[N@H+](CCCn1cccn1)Cc1cccc(-c2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000023153275 522799377 /nfs/dbraw/zinc/79/93/77/522799377.db2.gz VNFJRYKGFBMVGS-UHFFFAOYSA-N 0 3 377.492 3.034 50 0 GGAAHN C[N@@H+](CCCn1cccn1)Cc1cccc(-c2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000023153275 522799384 /nfs/dbraw/zinc/79/93/84/522799384.db2.gz VNFJRYKGFBMVGS-UHFFFAOYSA-N 0 3 377.492 3.034 50 0 GGAAHN Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC000426739707 534686851 /nfs/dbraw/zinc/68/68/51/534686851.db2.gz JHBFVBJWYWRJOE-FQEVSTJZSA-N 0 3 390.535 3.339 50 0 GGAAHN CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]2CCCN2[C@@]12c1ccccc1NC2=O ZINC000225370547 527915280 /nfs/dbraw/zinc/91/52/80/527915280.db2.gz ULFMCIGWGKGASG-UGTOYMOASA-N 0 3 376.456 3.275 50 0 GGAAHN CCCc1ccc(CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)o1 ZINC000091877265 528619886 /nfs/dbraw/zinc/61/98/86/528619886.db2.gz WVUGURZCCXLKCE-UHFFFAOYSA-N 0 3 382.508 3.241 50 0 GGAAHN CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)CNC ZINC000426359815 528875749 /nfs/dbraw/zinc/87/57/49/528875749.db2.gz NDJSIOGZHOYZNN-OAQYLSRUSA-N 0 3 379.504 3.307 50 0 GGAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2ccccc2C(=O)N(C)C)cc1 ZINC000426388069 529081031 /nfs/dbraw/zinc/08/10/31/529081031.db2.gz WOAIVKKOKXVKQI-LJQANCHMSA-N 0 3 379.504 3.270 50 0 GGAAHN CCCN1CCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1 ZINC000072478369 534927085 /nfs/dbraw/zinc/92/70/85/534927085.db2.gz AXZHNJQYWBLZQQ-OAQYLSRUSA-N 0 3 382.552 3.032 50 0 GGAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(c2ncccc2Cl)CC1 ZINC000096179928 535559546 /nfs/dbraw/zinc/55/95/46/535559546.db2.gz BZAGDEASNZTASD-QGZVFWFLSA-N 0 3 378.948 3.332 50 0 GGAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(c2ccc(Cl)cn2)CC1 ZINC000096130620 535599248 /nfs/dbraw/zinc/59/92/48/535599248.db2.gz GYJMTFDIAAPQSN-SFHVURJKSA-N 0 3 378.948 3.332 50 0 GGAAHN CCc1cc(N2CCC(N3CCC(F)(F)CC3)CC2)nc(N2CCCC2)n1 ZINC000095531642 536144359 /nfs/dbraw/zinc/14/43/59/536144359.db2.gz IWYNRTPFAKOIKH-UHFFFAOYSA-N 0 3 379.499 3.339 50 0 GGAAHN CCc1cc(N2CCC(N3CCN(Cc4ccccc4)CC3)CC2)nc(C)n1 ZINC000095501607 536144700 /nfs/dbraw/zinc/14/47/00/536144700.db2.gz DWMUVVHHBDYYAK-UHFFFAOYSA-N 0 3 379.552 3.134 50 0 GGAAHN COC[C@@H](NC1CCN(c2ncnc3sc(C)cc32)CC1)c1ccccn1 ZINC000096150174 536717440 /nfs/dbraw/zinc/71/74/40/536717440.db2.gz AXIAGAFCKYKMTQ-GOSISDBHSA-N 0 3 383.521 3.341 50 0 GGAAHN CN1CCC(NC(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)CC1 ZINC000002793983 564190377 /nfs/dbraw/zinc/19/03/77/564190377.db2.gz NFCOFSBLHNPFGU-UHFFFAOYSA-N 0 3 383.279 3.050 50 0 GGAAHN S=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CCN2CCC[C@H]2C1 ZINC000002805471 564190538 /nfs/dbraw/zinc/19/05/38/564190538.db2.gz XWYIVCPSIZABQS-KRWDZBQOSA-N 0 3 375.929 3.062 50 0 GGAAHN CN1CCC(NC(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)CC1 ZINC000002794231 564190841 /nfs/dbraw/zinc/19/08/41/564190841.db2.gz VMHDPEKMEMWNBW-UHFFFAOYSA-N 0 3 383.279 3.050 50 0 GGAAHN COc1cc(CNCCO)cc(Br)c1OCc1ccccc1F ZINC000002861298 564191400 /nfs/dbraw/zinc/19/14/00/564191400.db2.gz VKDRDMMIJBVHAB-UHFFFAOYSA-N 0 3 384.245 3.258 50 0 GGAAHN Cn1nnnc1SCCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000005205760 564213845 /nfs/dbraw/zinc/21/38/45/564213845.db2.gz KQNJPGMGNICVHH-UHFFFAOYSA-N 0 3 394.298 3.115 50 0 GGAAHN CCCSc1nc2c3c(sc2c(N2CCNCC2)n1)CC(C)(C)OC3 ZINC000006759439 564227405 /nfs/dbraw/zinc/22/74/05/564227405.db2.gz WFPLNBPVAPNIQG-UHFFFAOYSA-N 0 3 378.567 3.454 50 0 GGAAHN C[C@@H]1CCCc2sc3nc(SCCN4CCCCC4)n(N)c(=O)c3c21 ZINC000019797061 564304498 /nfs/dbraw/zinc/30/44/98/564304498.db2.gz KIWDIUKTFZNCME-GFCCVEGCSA-N 0 3 378.567 3.190 50 0 GGAAHN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090609029 564870485 /nfs/dbraw/zinc/87/04/85/564870485.db2.gz UABADSZVESQNRX-ZDUSSCGKSA-N 0 3 392.949 3.071 50 0 GGAAHN O=C(NCCCN1CCCC[C@@H]1CO)c1cc(C(F)(F)F)ccc1Cl ZINC000670453303 566362240 /nfs/dbraw/zinc/36/22/40/566362240.db2.gz NGFBBRKHBIYGSZ-CYBMUJFWSA-N 0 3 378.822 3.326 50 0 GGAAHN Cc1ccccc1CN1CCN(Cc2cccn2-c2nccs2)C[C@@H]1CCO ZINC000019740675 570212064 /nfs/dbraw/zinc/21/20/64/570212064.db2.gz FDLHFPUUEZQNSP-FQEVSTJZSA-N 0 3 396.560 3.311 50 0 GGAAHN COc1cc2c(cc1OC)CN([C@@H]1CCCN(Cc3cccc(C)n3)C1)CC2 ZINC000019761720 570216732 /nfs/dbraw/zinc/21/67/32/570216732.db2.gz AUFRPHWSXIVTRM-OAQYLSRUSA-N 0 3 381.520 3.430 50 0 GGAAHN CC(C)=CCN1CCN(Cc2cccc(-n3nc(C)cc3C)c2)C[C@@H]1CCO ZINC000019770258 570217685 /nfs/dbraw/zinc/21/76/85/570217685.db2.gz GBQOWJQINDRMKP-QHCPKHFHSA-N 0 3 382.552 3.324 50 0 GGAAHN Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000019770838 570218031 /nfs/dbraw/zinc/21/80/31/570218031.db2.gz XLCUZBWPAQPECZ-KRWDZBQOSA-N 0 3 393.491 3.037 50 0 GGAAHN OCC[C@@H]1CN(C2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000019789818 570218981 /nfs/dbraw/zinc/21/89/81/570218981.db2.gz KCPKVPRGUWFJGU-XMMPIXPASA-N 0 3 379.548 3.224 50 0 GGAAHN Fc1ccc(N2CCN([C@H]3CCCN(Cc4cccc5nonc54)C3)CC2)cc1 ZINC000019792689 570219470 /nfs/dbraw/zinc/21/94/70/570219470.db2.gz SPIIWFJWBKDDJK-FQEVSTJZSA-N 0 3 395.482 3.149 50 0 GGAAHN CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(C4CCCCC4)CC3)C2=O)cc1 ZINC000019809414 570221227 /nfs/dbraw/zinc/22/12/27/570221227.db2.gz ALITXXRUOKOALF-OAQYLSRUSA-N 0 3 399.535 3.058 50 0 GGAAHN Cc1nc2sccn2c1CN1CCN(CCCc2ccccc2)[C@@H](CCO)C1 ZINC000019867003 570226731 /nfs/dbraw/zinc/22/67/31/570226731.db2.gz NJZUTEDHFQSJDH-FQEVSTJZSA-N 0 3 398.576 3.206 50 0 GGAAHN COc1cccc(CN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000019888921 570227407 /nfs/dbraw/zinc/22/74/07/570227407.db2.gz AJEBQKJTWVZZFK-UHFFFAOYSA-N 0 3 379.548 3.477 50 0 GGAAHN COc1ccc(N2C(=O)C[C@H](NCCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000019889689 570227884 /nfs/dbraw/zinc/22/78/84/570227884.db2.gz HVSAHSXQBNIYSP-KRWDZBQOSA-N 0 3 393.270 3.466 50 0 GGAAHN COCCN1C(=O)C(CC(=O)Nc2ccccc2Cl)n2c3ccccc3nc21 ZINC000020103400 570239749 /nfs/dbraw/zinc/23/97/49/570239749.db2.gz PLEUGJRDIPOSOY-QGZVFWFLSA-N 0 3 398.850 3.253 50 0 GGAAHN C[C@@H]1CCCCN1C1CN(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)C1 ZINC000097288834 570240522 /nfs/dbraw/zinc/24/05/22/570240522.db2.gz LWMDOUVWHXUGCC-CYBMUJFWSA-N 0 3 378.904 3.132 50 0 GGAAHN Cc1cnc2c(C(=O)NC[C@@H](c3ccccc3)N3CCCCCC3)cnn2c1 ZINC000097527840 570245769 /nfs/dbraw/zinc/24/57/69/570245769.db2.gz CUEHIGWKOSZNAU-FQEVSTJZSA-N 0 3 377.492 3.385 50 0 GGAAHN Cc1cc(-n2cccn2)ccc1CN1CCN(Cc2cccs2)[C@@H](CCO)C1 ZINC000020204063 570247472 /nfs/dbraw/zinc/24/74/72/570247472.db2.gz FUTFDOCOXRDNIR-NRFANRHFSA-N 0 3 396.560 3.311 50 0 GGAAHN CCN1CCN(C(=O)CCC2CCN(C/C=C/c3ccccc3OC)CC2)CC1 ZINC000020212536 570248690 /nfs/dbraw/zinc/24/86/90/570248690.db2.gz VOLNIKMGASSCEU-SOFGYWHQSA-N 0 3 399.579 3.365 50 0 GGAAHN CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)C[C@H]1CCCCN1C ZINC000020256824 570250317 /nfs/dbraw/zinc/25/03/17/570250317.db2.gz QOKZDOIUPDKVSR-GOSISDBHSA-N 0 3 385.556 3.123 50 0 GGAAHN C[C@@H](c1ccc(C(=O)N2CCC(N3CCSCC3)CC2)o1)N1CCCCC1 ZINC000097713633 570250428 /nfs/dbraw/zinc/25/04/28/570250428.db2.gz NPALPLACUURZTJ-KRWDZBQOSA-N 0 3 391.581 3.480 50 0 GGAAHN Cc1ccc(OCC(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000001164876 570252382 /nfs/dbraw/zinc/25/23/82/570252382.db2.gz BIMHRLJLOBTCJN-UHFFFAOYSA-N 0 3 393.531 3.187 50 0 GGAAHN Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc4nonc4c3)C2)CC1 ZINC000020385428 570253930 /nfs/dbraw/zinc/25/39/30/570253930.db2.gz UDINBMFMNDCRSG-GOSISDBHSA-N 0 3 395.482 3.149 50 0 GGAAHN CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)cc1 ZINC000104310540 570256606 /nfs/dbraw/zinc/25/66/06/570256606.db2.gz 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570258134 /nfs/dbraw/zinc/25/81/34/570258134.db2.gz YMJYIRXHOMIVRZ-HXUWFJFHSA-N 0 3 393.560 3.478 50 0 GGAAHN CCOc1ccc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@H]2CCO)cc1 ZINC000104448343 570258349 /nfs/dbraw/zinc/25/83/49/570258349.db2.gz TXAPWBXSCCCENM-HXUWFJFHSA-N 0 3 386.540 3.001 50 0 GGAAHN Cc1cc(C)n(C[C@H](C)N2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)n1 ZINC000020516092 570265080 /nfs/dbraw/zinc/26/50/80/570265080.db2.gz UWVIDTRVSQVPCQ-KRWDZBQOSA-N 0 3 386.544 3.407 50 0 GGAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2F)C1=O ZINC000020533429 570265379 /nfs/dbraw/zinc/26/53/79/570265379.db2.gz IDLMHKLJRPUPLV-DAMBIUFKSA-N 0 3 393.462 3.428 50 0 GGAAHN COc1ccc(CN2CCN(CCCc3ccccc3)C[C@@H]2CCO)c(F)c1 ZINC000020534853 570265734 /nfs/dbraw/zinc/26/57/34/570265734.db2.gz RPJVKEPYIFHZLM-NRFANRHFSA-N 0 3 386.511 3.336 50 0 GGAAHN CCN(CC)c1ccc(-c2noc(CN3CCN(C4CCCCC4)CC3)n2)cn1 ZINC000049409714 570265768 /nfs/dbraw/zinc/26/57/68/570265768.db2.gz VARMKLXWYVWXHQ-UHFFFAOYSA-N 0 3 398.555 3.428 50 0 GGAAHN Cc1ccccc1N1CCN([C@H]2CCCN(Cc3cccc4nonc43)C2)CC1 ZINC000020542541 570267099 /nfs/dbraw/zinc/26/70/99/570267099.db2.gz MJBQJTSNRVZNBB-FQEVSTJZSA-N 0 3 391.519 3.318 50 0 GGAAHN Cc1cn2c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)csc2n1 ZINC000049422460 570267587 /nfs/dbraw/zinc/26/75/87/570267587.db2.gz OBWQJFODDJOQAR-UHFFFAOYSA-N 0 3 382.533 3.418 50 0 GGAAHN Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1)CC2 ZINC000020598605 570269536 /nfs/dbraw/zinc/26/95/36/570269536.db2.gz USXPQIABTMHANO-INIZCTEOSA-N 0 3 393.491 3.037 50 0 GGAAHN CN1CCC(N(CCc2ccccc2)C(=O)NCc2cncn2C2CC2)CC1 ZINC000584901570 570271062 /nfs/dbraw/zinc/27/10/62/570271062.db2.gz STKPRRYCHXQPHI-UHFFFAOYSA-N 0 3 381.524 3.067 50 0 GGAAHN O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)N1CCC(Oc2ccncc2)CC1 ZINC000584903560 570274029 /nfs/dbraw/zinc/27/40/29/570274029.db2.gz FVPUFDYGMOEPNI-SFHVURJKSA-N 0 3 398.507 3.140 50 0 GGAAHN CN1CC[C@@H](NC(=O)N(CCc2c[nH]c3ccccc23)Cc2cccnc2)C1 ZINC000584903675 570274512 /nfs/dbraw/zinc/27/45/12/570274512.db2.gz 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ZINC000023146129 570347005 /nfs/dbraw/zinc/34/70/05/570347005.db2.gz IJYVOONOXRMBLR-FQEVSTJZSA-N 0 3 376.928 3.427 50 0 GGAAHN CCN1CCC[C@@H]1CN(Cc1cc2c(c(OC)c1)OCO2)Cc1ccccn1 ZINC000023247777 570352394 /nfs/dbraw/zinc/35/23/94/570352394.db2.gz CLUVZHNXRZWSES-LJQANCHMSA-N 0 3 383.492 3.305 50 0 GGAAHN CCOc1cccc(CNCCN2CCOCC2)c1OCc1cccs1 ZINC000023288731 570354168 /nfs/dbraw/zinc/35/41/68/570354168.db2.gz HGTRJUCXWXCYOW-UHFFFAOYSA-N 0 3 376.522 3.148 50 0 GGAAHN CCCCN(C)C(=O)c1nc2ccccn2c1CN[C@@H](C)Cc1cccnc1 ZINC000023338134 570354826 /nfs/dbraw/zinc/35/48/26/570354826.db2.gz CLMCPVOGKDMLQZ-KRWDZBQOSA-N 0 3 379.508 3.322 50 0 GGAAHN CCn1nc(C)c(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1C ZINC000023358416 570356238 /nfs/dbraw/zinc/35/62/38/570356238.db2.gz QQNVOGBMYOEPIJ-QFIPXVFZSA-N 0 3 384.568 3.021 50 0 GGAAHN Cc1ccccc1CN1CCN(Cc2cccn2-c2cccnc2)C[C@@H]1CCO ZINC000023374978 570358239 /nfs/dbraw/zinc/35/82/39/570358239.db2.gz OFRVICKXDDDWTB-QHCPKHFHSA-N 0 3 390.531 3.250 50 0 GGAAHN CCOC(=O)N1CCN([C@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000023374945 570358414 /nfs/dbraw/zinc/35/84/14/570358414.db2.gz KRDNKEQXJDRMJE-GECPCNCSSA-N 0 3 375.488 3.077 50 0 GGAAHN CCC(N)(CC)c1cn(C[C@@H]2CCCN(C(=O)Nc3ccsc3)C2)nn1 ZINC000023398559 570361051 /nfs/dbraw/zinc/36/10/51/570361051.db2.gz KQCDWKHLEZHLKY-CQSZACIVSA-N 0 3 376.530 3.258 50 0 GGAAHN COCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2C)n2c3ccccc3nc21 ZINC000023411152 570361606 /nfs/dbraw/zinc/36/16/06/570361606.db2.gz TYPLWDUBZQVZKF-IBGZPJMESA-N 0 3 392.459 3.216 50 0 GGAAHN CCOC(=O)C1C(CNC2CCCCC2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000004195663 570362671 /nfs/dbraw/zinc/36/26/71/570362671.db2.gz IZXVKZHCBULOQX-FQEVSTJZSA-N 0 3 385.508 3.397 50 0 GGAAHN CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000004195663 570362673 /nfs/dbraw/zinc/36/26/73/570362673.db2.gz IZXVKZHCBULOQX-FQEVSTJZSA-N 0 3 385.508 3.397 50 0 GGAAHN CCOC(=O)C1C(CNC2CCCCC2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000004195662 570362684 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3.144 50 0 GGAAHN COc1ccc(N2C(=O)C[C@@H](NCCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000004648956 570389437 /nfs/dbraw/zinc/38/94/37/570389437.db2.gz HVSAHSXQBNIYSP-QGZVFWFLSA-N 0 3 393.270 3.466 50 0 GGAAHN Cc1c2cc(C)ccc2oc1CN1CCCn2nc([C@@H](O)CN(C)C)cc2C1 ZINC000221208235 570391855 /nfs/dbraw/zinc/39/18/55/570391855.db2.gz IDXVAPQRGRGGQK-FQEVSTJZSA-N 0 3 382.508 3.247 50 0 GGAAHN O=C(Cc1ccccc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000004700850 570394944 /nfs/dbraw/zinc/39/49/44/570394944.db2.gz FYFOPACQNSPZEH-UHFFFAOYSA-N 0 3 377.532 3.038 50 0 GGAAHN COc1ccccc1C(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000004703433 570395391 /nfs/dbraw/zinc/39/53/91/570395391.db2.gz JSDBCNPRMWLPLH-UHFFFAOYSA-N 0 3 379.504 3.122 50 0 GGAAHN COc1cccc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)c1OC ZINC000004712109 570397254 /nfs/dbraw/zinc/39/72/54/570397254.db2.gz QBIPJDYJMHYOKH-UHFFFAOYSA-N 0 3 395.547 3.490 50 0 GGAAHN CCc1ccc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc1 ZINC000004725532 570398240 /nfs/dbraw/zinc/39/82/40/570398240.db2.gz 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/nfs/dbraw/zinc/41/58/84/570415884.db2.gz SYBNGHPYRWHCPA-LJQANCHMSA-N 0 3 378.476 3.446 50 0 GGAAHN Cn1c2ccc(CNCCNc3ccnc4cc(Cl)ccc43)cc2n(C)c1=O ZINC000004993718 570422285 /nfs/dbraw/zinc/42/22/85/570422285.db2.gz NPWXHTXMBIOHKI-UHFFFAOYSA-N 0 3 395.894 3.280 50 0 GGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000238901754 570427860 /nfs/dbraw/zinc/42/78/60/570427860.db2.gz MLMNIIWAGRXMHP-VAMGGRTRSA-N 0 3 390.395 3.339 50 0 GGAAHN COc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000005274591 570432955 /nfs/dbraw/zinc/43/29/55/570432955.db2.gz JOAVPDOYKBZGKI-QGZVFWFLSA-N 0 3 397.862 3.294 50 0 GGAAHN CC(C)c1ccc(OCC(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1 ZINC000027663359 570438698 /nfs/dbraw/zinc/43/86/98/570438698.db2.gz IWXYQSSGYZJZQL-UHFFFAOYSA-N 0 3 387.568 3.255 50 0 GGAAHN CN(CCc1ccccc1)C1(C(=O)N[C@H]2CC[C@H](O)CC2)Cc2ccccc2C1 ZINC000248111343 570440913 /nfs/dbraw/zinc/44/09/13/570440913.db2.gz KHBPPSYBMYCZPJ-YHBQERECSA-N 0 3 392.543 3.118 50 0 GGAAHN Cc1cc(C)cc(O[C@@H](C)C(=O)NCC2(N3CCN(C)CC3)CCCCC2)c1 ZINC000027741614 570441262 /nfs/dbraw/zinc/44/12/62/570441262.db2.gz RHKHXJZPZOHDMB-FQEVSTJZSA-N 0 3 387.568 3.137 50 0 GGAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(c2ccccn2)CC1 ZINC000005706314 570452124 /nfs/dbraw/zinc/45/21/24/570452124.db2.gz VXQCFYVSUXZUTE-LJQANCHMSA-N 0 3 386.499 3.373 50 0 GGAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccnc1 ZINC000005967767 570463340 /nfs/dbraw/zinc/46/33/40/570463340.db2.gz MNTPZJQNTQOXDI-LJQANCHMSA-N 0 3 377.444 3.075 50 0 GGAAHN CC(C)(C)OC(=O)[C@H](CN)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000169722869 570472984 /nfs/dbraw/zinc/47/29/84/570472984.db2.gz CJRQTFFPEHEEBS-IBGZPJMESA-N 0 3 382.460 3.194 50 0 GGAAHN COc1cccc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1OC ZINC000006730809 570491133 /nfs/dbraw/zinc/49/11/33/570491133.db2.gz PHJQTUIIUPVRDE-UHFFFAOYSA-N 0 3 384.520 3.430 50 0 GGAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000032823152 570514392 /nfs/dbraw/zinc/51/43/92/570514392.db2.gz 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Cc1cccc(-c2ncc(CN3CCN(C4CCCC4)[C@H](CCO)C3)cn2)c1 ZINC000036385662 570564498 /nfs/dbraw/zinc/56/44/98/570564498.db2.gz MMCRLOKJHVIPTR-JOCHJYFZSA-N 0 3 380.536 3.263 50 0 GGAAHN CCOc1cc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)ccc1OC ZINC000036385606 570564931 /nfs/dbraw/zinc/56/49/31/570564931.db2.gz XNNWOOLMOFRIHI-JOCHJYFZSA-N 0 3 398.547 3.205 50 0 GGAAHN Cc1ccc(-c2cc3nc(SCCN4CCCC4)n(N)c(=O)c3s2)cc1 ZINC000036646153 570567455 /nfs/dbraw/zinc/56/74/55/570567455.db2.gz VRSAFHXXFQSJDF-UHFFFAOYSA-N 0 3 386.546 3.335 50 0 GGAAHN CN(CCN1CCCCCC1)C(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000039393428 570590817 /nfs/dbraw/zinc/59/08/17/570590817.db2.gz WYERSZKBWYVWDU-JOCHJYFZSA-N 0 3 399.579 3.192 50 0 GGAAHN COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)N[C@@]23c2cc(C)ccc2NC3=O)cc1 ZINC000005452238 570597676 /nfs/dbraw/zinc/59/76/76/570597676.db2.gz JJLJEQFSWQWYRA-XQFWAAQXSA-N 0 3 393.487 3.424 50 0 GGAAHN CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1C ZINC000006800462 570601141 /nfs/dbraw/zinc/60/11/41/570601141.db2.gz GVHLGJMBGMOQSR-UHFFFAOYSA-N 0 3 383.492 3.203 50 0 GGAAHN COC(=O)CC[C@@H](C)N1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000012056865 570602650 /nfs/dbraw/zinc/60/26/50/570602650.db2.gz YXMCMPUFXCMKOQ-QGZVFWFLSA-N 0 3 388.508 3.108 50 0 GGAAHN O=c1cc(CCn2cccn2)nc(-c2ccc(C[N@@H+]3CCCCC34CC4)cc2)[n-]1 ZINC000048090885 570655314 /nfs/dbraw/zinc/65/53/14/570655314.db2.gz HSDFMJKPCITNCL-UHFFFAOYSA-N 0 3 389.503 3.395 50 0 GGAAHN O=c1cc(CCn2cccn2)nc(-c2ccc(C[N@H+]3CCCCC34CC4)cc2)[n-]1 ZINC000048090885 570655317 /nfs/dbraw/zinc/65/53/17/570655317.db2.gz HSDFMJKPCITNCL-UHFFFAOYSA-N 0 3 389.503 3.395 50 0 GGAAHN COC[C@@H]1CCC[N@H+](Cc2cccc(-c3nc(-c4cccnc4)cc(=O)[n-]3)c2)C1 ZINC000048379488 570657859 /nfs/dbraw/zinc/65/78/59/570657859.db2.gz XNNZNWZAPOPVBO-GOSISDBHSA-N 0 3 390.487 3.357 50 0 GGAAHN COC[C@@H]1CCC[N@@H+](Cc2cccc(-c3nc(-c4cccnc4)cc(=O)[n-]3)c2)C1 ZINC000048379488 570657861 /nfs/dbraw/zinc/65/78/61/570657861.db2.gz XNNZNWZAPOPVBO-GOSISDBHSA-N 0 3 390.487 3.357 50 0 GGAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)c1 ZINC000229990085 570667857 /nfs/dbraw/zinc/66/78/57/570667857.db2.gz OJHPYDFJLAURAB-PWRODBHTSA-N 0 3 385.423 3.441 50 0 GGAAHN Cc1cccc(CN2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)n1 ZINC000012449341 570668220 /nfs/dbraw/zinc/66/82/20/570668220.db2.gz KTNZKWTYXOFPFJ-FQEVSTJZSA-N 0 3 380.536 3.478 50 0 GGAAHN CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)c1 ZINC000012477024 570673699 /nfs/dbraw/zinc/67/36/99/570673699.db2.gz XIXSSNAZUWXABJ-JOCHJYFZSA-N 0 3 379.504 3.472 50 0 GGAAHN NC(=O)Cn1cc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)c2ccccc21 ZINC000055042155 570680016 /nfs/dbraw/zinc/68/00/16/570680016.db2.gz PECIXFWSVBSYBR-FQEVSTJZSA-N 0 3 395.478 3.447 50 0 GGAAHN CCN(CC)CCN(C(=O)C1=COCCO1)c1nc2cc(C)cc(C)c2s1 ZINC000004359503 570705824 /nfs/dbraw/zinc/70/58/24/570705824.db2.gz IYJRADIBFALYQJ-UHFFFAOYSA-N 0 3 389.521 3.476 50 0 GGAAHN CCc1nnc(NC(=O)CCN2CCC[C@@H](c3nc4ccccc4o3)C2)s1 ZINC000252490576 570728031 /nfs/dbraw/zinc/72/80/31/570728031.db2.gz KXDKCXSSMFUBNO-CYBMUJFWSA-N 0 3 385.493 3.450 50 0 GGAAHN COc1cccc([C@@H]2CCCCN2CCC(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000252486393 570728312 /nfs/dbraw/zinc/72/83/12/570728312.db2.gz HKYODNAQKHOOPQ-FQEVSTJZSA-N 0 3 381.476 3.350 50 0 GGAAHN COc1ccc(-c2cc(C(=O)N3CCN4CCC[C@H]4C3)c3c(C)noc3n2)cc1 ZINC000036613860 570757749 /nfs/dbraw/zinc/75/77/49/570757749.db2.gz QHVAZSRHWPSRTA-INIZCTEOSA-N 0 3 392.459 3.127 50 0 GGAAHN COc1cccc(-c2noc3nc(C)cc(C(=O)NC4CCN(C)CC4)c32)c1 ZINC000036619005 570761056 /nfs/dbraw/zinc/76/10/56/570761056.db2.gz LQGHUSACJUNKHT-UHFFFAOYSA-N 0 3 380.448 3.031 50 0 GGAAHN CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1cccc(F)c1F)C2 ZINC000014531367 570847749 /nfs/dbraw/zinc/84/77/49/570847749.db2.gz GRKKIOFFRWPIOV-HNNXBMFYSA-N 0 3 390.478 3.166 50 0 GGAAHN CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccccc1OC)C2 ZINC000014740501 570858000 /nfs/dbraw/zinc/85/80/00/570858000.db2.gz DSQCFDVGPJJYBA-SFHVURJKSA-N 0 3 396.535 3.185 50 0 GGAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102728917 570859057 /nfs/dbraw/zinc/85/90/57/570859057.db2.gz KCOBPCXTEANSGM-SLFFLAALSA-N 0 3 389.386 3.272 50 0 GGAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)c1 ZINC000102730895 570859535 /nfs/dbraw/zinc/85/95/35/570859535.db2.gz OJHPYDFJLAURAB-QHAWAJNXSA-N 0 3 385.423 3.441 50 0 GGAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C1=O ZINC000102733933 570859854 /nfs/dbraw/zinc/85/98/54/570859854.db2.gz GXCOQECPHALNOB-PCCBWWKXSA-N 0 3 385.423 3.441 50 0 GGAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)c1 ZINC000102736208 570859862 /nfs/dbraw/zinc/85/98/62/570859862.db2.gz MEXIFCKJJODSBW-QHAWAJNXSA-N 0 3 385.423 3.441 50 0 GGAAHN CCn1nc(C)c(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1C ZINC000072142979 570869916 /nfs/dbraw/zinc/86/99/16/570869916.db2.gz SHQIXYJSHQRAFC-KSEOMHKRSA-N 0 3 378.520 3.222 50 0 GGAAHN CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072143755 570870475 /nfs/dbraw/zinc/87/04/75/570870475.db2.gz QPSVTCJESVMYHA-HXUWFJFHSA-N 0 3 376.504 3.271 50 0 GGAAHN Cc1cc(CNC(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)[nH]n1 ZINC000072149926 570873224 /nfs/dbraw/zinc/87/32/24/570873224.db2.gz YTBHFGAUSZSRCL-UHFFFAOYSA-N 0 3 388.515 3.046 50 0 GGAAHN Cc1cc(CNC(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)n[nH]1 ZINC000072149926 570873226 /nfs/dbraw/zinc/87/32/26/570873226.db2.gz YTBHFGAUSZSRCL-UHFFFAOYSA-N 0 3 388.515 3.046 50 0 GGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cnn(CC)c1 ZINC000015061811 570874806 /nfs/dbraw/zinc/87/48/06/570874806.db2.gz VASYSDRUJHBYSF-LJQANCHMSA-N 0 3 386.515 3.459 50 0 GGAAHN COc1cccc(CC2(CO)CCN(Cc3cccn3-c3ncccn3)CC2)c1 ZINC000015071634 570877465 /nfs/dbraw/zinc/87/74/65/570877465.db2.gz XLIXXZCIAKDVEA-UHFFFAOYSA-N 0 3 392.503 3.093 50 0 GGAAHN CCN(CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccccc2C)c1=N ZINC000003653187 570881193 /nfs/dbraw/zinc/88/11/93/570881193.db2.gz QSXDXKQXUFBCJW-LJQANCHMSA-N 0 3 396.535 3.012 50 0 GGAAHN CN1CCC(C(=O)NCCCc2nc3ccccc3[nH]2)(c2ccccc2)CC1 ZINC000299762667 570892992 /nfs/dbraw/zinc/89/29/92/570892992.db2.gz YCGFSXCIQXRGAG-UHFFFAOYSA-N 0 3 376.504 3.275 50 0 GGAAHN COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(O)cc1)CC2 ZINC000299766412 570893448 /nfs/dbraw/zinc/89/34/48/570893448.db2.gz IVWZDVGKUQTDAW-NRFANRHFSA-N 0 3 394.515 3.362 50 0 GGAAHN C[C@H](CCNC(=O)c1ccc(-c2ccc(F)cc2F)cc1)N1CCN(C)CC1 ZINC000299770594 570894111 /nfs/dbraw/zinc/89/41/11/570894111.db2.gz SWVUDDFDVOVBFF-MRXNPFEDSA-N 0 3 387.474 3.388 50 0 GGAAHN C[C@H](CCNC(=O)Nc1ccc(Cl)c2ncccc12)N1CCN(C)CC1 ZINC000299774007 570894530 /nfs/dbraw/zinc/89/45/30/570894530.db2.gz HSWADGDAEZJFPY-CQSZACIVSA-N 0 3 375.904 3.036 50 0 GGAAHN CSc1ccccc1NC(=O)N1CCC([C@H](C)N2CCN(C)CC2)CC1 ZINC000299782450 570895038 /nfs/dbraw/zinc/89/50/38/570895038.db2.gz MWRFQCMBRJSPAP-INIZCTEOSA-N 0 3 376.570 3.288 50 0 GGAAHN O=C(NC[C@H]1CNCCO1)Nc1ccccc1SCc1ccccc1F ZINC000299784462 570895508 /nfs/dbraw/zinc/89/55/08/570895508.db2.gz XOXMGJNFWLTHCX-OAHLLOKOSA-N 0 3 375.469 3.228 50 0 GGAAHN CNc1ccc(-c2cccc(C(=O)N3C[C@H](O)[C@@H](N4CCCCC4)C3)c2)cc1 ZINC000299794733 570897203 /nfs/dbraw/zinc/89/72/03/570897203.db2.gz NNEPZAUJCRPXJJ-VXKWHMMOSA-N 0 3 379.504 3.067 50 0 GGAAHN COCCNCc1cc2cc(OC)c(OC)cc2n(Cc2ccc(C)cc2)c1=O ZINC000299798424 570897742 /nfs/dbraw/zinc/89/77/42/570897742.db2.gz RYQCSKPMOIZCPT-UHFFFAOYSA-N 0 3 396.487 3.111 50 0 GGAAHN CC(C)COc1ccccc1NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000299802453 570898215 /nfs/dbraw/zinc/89/82/15/570898215.db2.gz MFCKCYNDICKDCI-SFHVURJKSA-N 0 3 375.513 3.486 50 0 GGAAHN CCCCN(CCCC)CCNS(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000004577992 570905532 /nfs/dbraw/zinc/90/55/32/570905532.db2.gz WVPGKLJHAUPZHR-UHFFFAOYSA-N 0 3 393.553 3.424 50 0 GGAAHN CCN1CCN(CCCNC(=O)N(Cc2ccsc2)C2CCCC2)CC1 ZINC000534589551 570905774 /nfs/dbraw/zinc/90/57/74/570905774.db2.gz AETDMPRDWNRAKT-UHFFFAOYSA-N 0 3 378.586 3.230 50 0 GGAAHN O=C(NCC1(CN2CCCC2)CC1)N1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000534638459 570912197 /nfs/dbraw/zinc/91/21/97/570912197.db2.gz QHBZOVSMRGXNHQ-MRXNPFEDSA-N 0 3 375.538 3.228 50 0 GGAAHN COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000023127655 570912728 /nfs/dbraw/zinc/91/27/28/570912728.db2.gz JUPYHKUERBPSMD-UHFFFAOYSA-N 0 3 388.533 3.194 50 0 GGAAHN CCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000023127719 570912865 /nfs/dbraw/zinc/91/28/65/570912865.db2.gz JDBPHHXGNQTACF-UHFFFAOYSA-N 0 3 394.562 3.337 50 0 GGAAHN COc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)c(C)c1 ZINC000023127730 570913444 /nfs/dbraw/zinc/91/34/44/570913444.db2.gz VPPXFKMUZOSUOQ-UHFFFAOYSA-N 0 3 394.562 3.256 50 0 GGAAHN CCN1CCC(N(C)C(=O)N[C@H](C)c2cnn(-c3ccccc3OC)c2)CC1 ZINC000534654451 570915150 /nfs/dbraw/zinc/91/51/50/570915150.db2.gz WDCFKDJMSDETRG-MRXNPFEDSA-N 0 3 385.512 3.068 50 0 GGAAHN Cc1nn(C)c(Cl)c1CN1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000019228056 570964609 /nfs/dbraw/zinc/96/46/09/570964609.db2.gz VJNRKQNUXACLNN-LJQANCHMSA-N 0 3 387.959 3.169 50 0 GGAAHN Cc1ccc(S[C@H](C)C(=O)N2CCC(n3cc(C(C)(C)N)nn3)CC2)cc1 ZINC000019227781 570964646 /nfs/dbraw/zinc/96/46/46/570964646.db2.gz WAFOXEOQZCNPGC-OAHLLOKOSA-N 0 3 387.553 3.125 50 0 GGAAHN Cc1ccc(S[C@@H](C)C(=O)N2CCC(n3cc(C(C)(C)N)nn3)CC2)cc1 ZINC000019227784 570964685 /nfs/dbraw/zinc/96/46/85/570964685.db2.gz WAFOXEOQZCNPGC-HNNXBMFYSA-N 0 3 387.553 3.125 50 0 GGAAHN O=C(c1cc(C(F)(F)F)n[nH]1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000091269658 571001827 /nfs/dbraw/zinc/00/18/27/571001827.db2.gz XRDKDFLIQJKWMN-HUUCEWRRSA-N 0 3 378.398 3.165 50 0 GGAAHN O[C@@H]1C[C@H](O)C12CCN(Cc1ccc3ccn(Cc4ccccc4)c3c1)CC2 ZINC000091289264 571002342 /nfs/dbraw/zinc/00/23/42/571002342.db2.gz NHYOSJZHJKOSFY-ZRZAMGCNSA-N 0 3 376.500 3.397 50 0 GGAAHN CCn1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)c1C ZINC000091320606 571003031 /nfs/dbraw/zinc/00/30/31/571003031.db2.gz MMTFKFIMJYPEFD-LEWJYISDSA-N 0 3 380.536 3.381 50 0 GGAAHN Cc1cc(CN2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)ccc1F ZINC000091364987 571004629 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ZINC000011937136 204363631 /nfs/dbraw/zinc/36/36/31/204363631.db2.gz VQANROOHHSVGMP-UHFFFAOYSA-N 0 3 385.511 3.410 50 0 GGAAHN COC(=O)c1cccc(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)c1 ZINC000011945501 204363996 /nfs/dbraw/zinc/36/39/96/204363996.db2.gz LSZRCFGKJQRCHK-OAQYLSRUSA-N 0 3 380.488 3.252 50 0 GGAAHN Cc1csc(SCC(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)n1 ZINC000011951376 204364561 /nfs/dbraw/zinc/36/45/61/204364561.db2.gz AGDBAXIMNRGBBB-QGZVFWFLSA-N 0 3 375.563 3.367 50 0 GGAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCn2ccc(C)n2)C1 ZINC000011955670 204365002 /nfs/dbraw/zinc/36/50/02/204365002.db2.gz FTLBGKXPBPOVHQ-HXUWFJFHSA-N 0 3 398.551 3.003 50 0 GGAAHN COc1ccccc1CN1CCC2(CC[C@@H](CNC(=O)c3ccoc3)O2)CC1 ZINC000011996475 204365394 /nfs/dbraw/zinc/36/53/94/204365394.db2.gz FZARBNWQENJUAP-IBGZPJMESA-N 0 3 384.476 3.232 50 0 GGAAHN CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CCN3CCCCC3=O)C2)cc1 ZINC000012000009 204365764 /nfs/dbraw/zinc/36/57/64/204365764.db2.gz XURYBHLZXVQQPK-JOCHJYFZSA-N 0 3 399.579 3.368 50 0 GGAAHN Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012025615 204366883 /nfs/dbraw/zinc/36/68/83/204366883.db2.gz RHUBRDIPDKEHKC-NRFANRHFSA-N 0 3 382.552 3.135 50 0 GGAAHN Cc1noc(C)c1CC(=O)N(C)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000012025117 204367249 /nfs/dbraw/zinc/36/72/49/204367249.db2.gz KBFOUDBSIWKBPY-UHFFFAOYSA-N 0 3 387.499 3.386 50 0 GGAAHN COC(=O)CCC(=O)N1CCC([C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000012053959 204369561 /nfs/dbraw/zinc/36/95/61/204369561.db2.gz ZNLLZLNKPYHFAN-SFHVURJKSA-N 0 3 392.927 3.354 50 0 GGAAHN Cc1ccc(CNc2ncnc3sc(C(=O)N4CC[C@@H](N(C)C)C4)c(C)c32)o1 ZINC000012079287 204370291 /nfs/dbraw/zinc/37/02/91/204370291.db2.gz AEUIYPWREPMJHE-CQSZACIVSA-N 0 3 399.520 3.289 50 0 GGAAHN C[C@@]1(C2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)NC(=O)NC1=O ZINC000012135541 204374641 /nfs/dbraw/zinc/37/46/41/204374641.db2.gz MTWMWPGNRQFNBG-QHCPKHFHSA-N 0 3 375.472 3.068 50 0 GGAAHN C[C@@H]1CCCN(Cc2ccc(C(=O)NCC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)C1 ZINC000012149834 204377523 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Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(Cc3ccncc3)C2)cc1 ZINC000012305029 204393023 /nfs/dbraw/zinc/39/30/23/204393023.db2.gz RSMCHOBBAXBHDN-IBGZPJMESA-N 0 3 375.476 3.426 50 0 GGAAHN COc1ccc(N[C@@H]2CCCN(Cc3ccccc3OCCO)C2)cc1OC ZINC000012320436 204396755 /nfs/dbraw/zinc/39/67/55/204396755.db2.gz QAAQCZFRSCSATK-LJQANCHMSA-N 0 3 386.492 3.151 50 0 GGAAHN CCOCc1cc(CN2CCC(n3nccc3NC(C)=O)CC2)ccc1OC ZINC000012715703 204437292 /nfs/dbraw/zinc/43/72/92/204437292.db2.gz XUXJFFOKLOIIKD-UHFFFAOYSA-N 0 3 386.496 3.224 50 0 GGAAHN COc1cc(C(=O)NCCc2ccccc2F)ccc1OC1CCN(C)CC1 ZINC000012748364 204440576 /nfs/dbraw/zinc/44/05/76/204440576.db2.gz UDANSYBCTZTZLE-UHFFFAOYSA-N 0 3 386.467 3.280 50 0 GGAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012577629 204426324 /nfs/dbraw/zinc/42/63/24/204426324.db2.gz ATBHOYQKQNWJJM-NRFANRHFSA-N 0 3 397.563 3.422 50 0 GGAAHN CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014531332 204535057 /nfs/dbraw/zinc/53/50/57/204535057.db2.gz 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ZINC000030937496 204899242 /nfs/dbraw/zinc/89/92/42/204899242.db2.gz CRBUIZGDUMHNPT-GOSISDBHSA-N 0 3 396.422 3.128 50 0 GGAAHN CCCn1c(C)c(CC(=O)NC[C@@]2(C)CCN(C)C2)c2c1CC(C)(C)CC2=O ZINC000039490360 205041620 /nfs/dbraw/zinc/04/16/20/205041620.db2.gz VQQZBLBCKGMVDB-HSZRJFAPSA-N 0 3 387.568 3.362 50 0 GGAAHN Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1 ZINC000070922171 205024244 /nfs/dbraw/zinc/02/42/44/205024244.db2.gz UWPILDMUFPMQFF-UHFFFAOYSA-N 0 3 379.913 3.238 50 0 GGAAHN O=S(=O)(NCC1CCN(c2ccncc2)CC1)c1cccc2ccccc21 ZINC000070922191 205024770 /nfs/dbraw/zinc/02/47/70/205024770.db2.gz KQEICBXQZHPLGL-UHFFFAOYSA-N 0 3 381.501 3.430 50 0 GGAAHN CN(C)[C@H](CNC(=O)c1cc(-c2ccco2)on1)c1cn(C)c2ccccc12 ZINC000077171651 205033644 /nfs/dbraw/zinc/03/36/44/205033644.db2.gz HRMNYKWPMWCAMV-GOSISDBHSA-N 0 3 378.432 3.459 50 0 GGAAHN CCn1nc(C)c(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1C ZINC000039485470 205042818 /nfs/dbraw/zinc/04/28/18/205042818.db2.gz QQNVOGBMYOEPIJ-JOCHJYFZSA-N 0 3 384.568 3.021 50 0 GGAAHN COc1cccc(CN2CCN(Cc3cn(C)c4ccccc34)C[C@H]2CCO)c1 ZINC000039551904 205043180 /nfs/dbraw/zinc/04/31/80/205043180.db2.gz RTJYSDIYPZVKNV-OAQYLSRUSA-N 0 3 393.531 3.256 50 0 GGAAHN COc1cc(Cl)c(CN2CCN(C3CCCC3)[C@H](CCO)C2)cc1OC ZINC000039430175 205043282 /nfs/dbraw/zinc/04/32/82/205043282.db2.gz NYQLPCMOYKCYHJ-QGZVFWFLSA-N 0 3 382.932 3.168 50 0 GGAAHN Cc1ccc2nc(C)cc(C(=O)N3CCC(n4cc(C(C)(C)N)nn4)CC3)c2c1 ZINC000048294061 205118298 /nfs/dbraw/zinc/11/82/98/205118298.db2.gz MHVUMBBMAZDNSI-UHFFFAOYSA-N 0 3 392.507 3.114 50 0 GGAAHN COC[C@H]1CCC[N@H+](Cc2cccc(-c3nc(-c4cccnc4)cc(=O)[n-]3)c2)C1 ZINC000048379491 205122877 /nfs/dbraw/zinc/12/28/77/205122877.db2.gz XNNZNWZAPOPVBO-SFHVURJKSA-N 0 3 390.487 3.357 50 0 GGAAHN COC[C@H]1CCC[N@@H+](Cc2cccc(-c3nc(-c4cccnc4)cc(=O)[n-]3)c2)C1 ZINC000048379491 205122881 /nfs/dbraw/zinc/12/28/81/205122881.db2.gz XNNZNWZAPOPVBO-SFHVURJKSA-N 0 3 390.487 3.357 50 0 GGAAHN O=C(Nc1ccccc1)c1ccc(N2CC[C@H](NCc3cccc(O)c3)C2)nc1 ZINC000049421017 205126425 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CCn1cc(-c2cc(C(=O)N3CCCN(C)C[C@@H]3C)c3cc(F)ccc3n2)cn1 ZINC000063856703 205187794 /nfs/dbraw/zinc/18/77/94/205187794.db2.gz SZIYFPKAZLHISU-HNNXBMFYSA-N 0 3 395.482 3.424 50 0 GGAAHN Cc1ccc2c(C(=O)N(C)[C@@H]3CCN(C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063882736 205189297 /nfs/dbraw/zinc/18/92/97/205189297.db2.gz VUJXSXXLFMQGOA-QGZVFWFLSA-N 0 3 377.492 3.028 50 0 GGAAHN Cc1cc(C)c2nc(-c3cnn(C)c3)cc(C(=O)N3CCN4CCC[C@H]4C3)c2c1 ZINC000063884731 205189370 /nfs/dbraw/zinc/18/93/70/205189370.db2.gz WODLWDCZDSWOCA-SFHVURJKSA-N 0 3 389.503 3.172 50 0 GGAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1ccc(Cl)s1 ZINC000064626475 205192097 /nfs/dbraw/zinc/19/20/97/205192097.db2.gz PBZWKJPLPPTROQ-SFHVURJKSA-N 0 3 382.888 3.184 50 0 GGAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNCc1ccc(Cl)s1 ZINC000064626478 205192835 /nfs/dbraw/zinc/19/28/35/205192835.db2.gz PBZWKJPLPPTROQ-GOSISDBHSA-N 0 3 382.888 3.184 50 0 GGAAHN Cc1ccc(NC(=O)CCN[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000065404400 205233122 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ZINC000299792339 206191619 /nfs/dbraw/zinc/19/16/19/206191619.db2.gz GWNZGOFFQAVBLN-LJQANCHMSA-N 0 3 392.507 3.096 50 0 GGAAHN CC(C)COc1ccccc1NC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000299802451 206193494 /nfs/dbraw/zinc/19/34/94/206193494.db2.gz MFCKCYNDICKDCI-GOSISDBHSA-N 0 3 375.513 3.486 50 0 GGAAHN COc1cc2c(cc(C(=O)Nc3ccc(OCCN(C)C)cc3)n2C)c(OC)c1 ZINC000409414031 533151943 /nfs/dbraw/zinc/15/19/43/533151943.db2.gz ICGPMAMXUGRERS-UHFFFAOYSA-N 0 3 397.475 3.388 50 0 GGAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@H]1CCCCN1C ZINC000011814841 221127726 /nfs/dbraw/zinc/12/77/26/221127726.db2.gz IWTBCWRYMGONNF-OAQYLSRUSA-N 0 3 375.532 3.023 50 0 GGAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCCN1C ZINC000011814842 221128380 /nfs/dbraw/zinc/12/83/80/221128380.db2.gz IWTBCWRYMGONNF-NRFANRHFSA-N 0 3 375.532 3.023 50 0 GGAAHN O=C(c1cc2nccc(-c3ccc4ccccc4c3)n2n1)N1CCN2CCC[C@H]2C1 ZINC000013644356 221278355 /nfs/dbraw/zinc/27/83/55/221278355.db2.gz ZNNBPFITFINRKC-FQEVSTJZSA-N 0 3 397.482 3.470 50 0 GGAAHN CO[C@@H]1CC[C@@]2(OC)CCN(Cc3c(Cl)n(C)nc3-c3cc(C)on3)[C@H]2C1 ZINC000426389543 533432630 /nfs/dbraw/zinc/43/26/30/533432630.db2.gz YTWLLRUIYLQMTA-ACWOFJMJSA-N 0 3 394.903 3.195 50 0 GGAAHN COc1ccc(CN(C)C(=O)NCCN2CC[C@@H](c3ccccc3)C2)cc1O ZINC000426506846 533526978 /nfs/dbraw/zinc/52/69/78/533526978.db2.gz RCBQHTXAHQDRFH-LJQANCHMSA-N 0 3 383.492 3.032 50 0 GGAAHN COc1ccc(CN(C(=O)NCCN2CCCC2)C2CCCC2)cc1OC ZINC000426442457 533514759 /nfs/dbraw/zinc/51/47/59/533514759.db2.gz AECIAERHJWVMTL-UHFFFAOYSA-N 0 3 375.513 3.254 50 0 GGAAHN OCCOc1ccccc1CN[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000039532968 132391718 /nfs/dbraw/zinc/39/17/18/132391718.db2.gz BHDMUWXRYOOSMB-KRWDZBQOSA-N 0 3 395.425 3.230 50 0 GGAAHN O=C1N(CCC2CCCCC2)CCC[C@]1(O)CN1CCN(c2ccccc2)CC1 ZINC000067674000 136164741 /nfs/dbraw/zinc/16/47/41/136164741.db2.gz OFECCGCVMUNXCL-DEOSSOPVSA-N 0 3 399.579 3.133 50 0 GGAAHN CCc1cc(N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)nc(C)n1 ZINC000072163881 136167169 /nfs/dbraw/zinc/16/71/69/136167169.db2.gz 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ZINC000095498840 136179794 /nfs/dbraw/zinc/17/97/94/136179794.db2.gz BFZVDEYFWNMUQA-UHFFFAOYSA-N 0 3 382.556 3.440 50 0 GGAAHN c1cn(Cc2ccccn2)c(C2CCN(c3cc(N4CCCC4)cnn3)CC2)n1 ZINC000095529188 136181657 /nfs/dbraw/zinc/18/16/57/136181657.db2.gz JQVQVPGDQSYMIN-UHFFFAOYSA-N 0 3 389.507 3.101 50 0 GGAAHN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCN(C)C[C@H]12 ZINC000248110952 136192905 /nfs/dbraw/zinc/19/29/05/136192905.db2.gz HILOINODNGRDPM-UNMCSNQZSA-N 0 3 394.906 3.426 50 0 GGAAHN COc1ccccc1N1CCC(N2CCN(CC(C)(C)C)[C@H](CCO)C2)CC1 ZINC000104346698 136196752 /nfs/dbraw/zinc/19/67/52/136196752.db2.gz IMVPNRHAFZBRAR-HXUWFJFHSA-N 0 3 389.584 3.079 50 0 GGAAHN Cc1cccc(CN2CCN(c3cc(C)nc4ccccc43)C[C@H]2CCO)n1 ZINC000106959354 136196985 /nfs/dbraw/zinc/19/69/85/136196985.db2.gz ZCCRWOYQUUJOBX-HXUWFJFHSA-N 0 3 376.504 3.320 50 0 GGAAHN CC(C)(O)CCc1ccc(C(=O)N2CCC(N3CCSCC3)CC2)cc1 ZINC000072475454 222265462 /nfs/dbraw/zinc/26/54/62/222265462.db2.gz YAXCFSPNNLAZOC-UHFFFAOYSA-N 0 3 376.566 3.044 50 0 GGAAHN COC(=O)c1cc(-c2ccc(C(=O)N3CCC[C@]4(CCN(C)C4)C3)cc2)c[nH]1 ZINC000426489384 533715189 /nfs/dbraw/zinc/71/51/89/533715189.db2.gz QLJJKNVVGLARKH-JOCHJYFZSA-N 0 3 381.476 3.026 50 0 GGAAHN Cc1nn(C)cc1CN(C)C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000426649625 534832025 /nfs/dbraw/zinc/83/20/25/534832025.db2.gz LPOSIOUUPJIGDY-OAQYLSRUSA-N 0 3 383.540 3.487 50 0 GGAAHN O=C1N(Cc2ccccc2F)CCC[C@@]1(O)CNCc1cccc(Cl)c1 ZINC000012612838 527038598 /nfs/dbraw/zinc/03/85/98/527038598.db2.gz BFAAURURNDLRLC-HXUWFJFHSA-N 0 3 376.859 3.122 50 0 GGAAHN CC(C)c1ccc(CN2CCC[C@]3(CCN(c4cncc(C(N)=O)n4)C3)C2)cc1 ZINC000426526316 528092723 /nfs/dbraw/zinc/09/27/23/528092723.db2.gz WLUOTPZVDHINJF-QHCPKHFHSA-N 0 3 393.535 3.191 50 0 GGAAHN CCN1CCC(N(CCc2ccccn2)C(=O)NCc2ccc(O)cc2)CC1 ZINC000426535449 528973569 /nfs/dbraw/zinc/97/35/69/528973569.db2.gz JKPXFURGVNBNFK-UHFFFAOYSA-N 0 3 382.508 3.026 50 0 GGAAHN CCN(C)C(=O)CN1CC[C@@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000426395460 529121336 /nfs/dbraw/zinc/12/13/36/529121336.db2.gz XSFUZVDFEOGNJD-HSZRJFAPSA-N 0 3 385.552 3.103 50 0 GGAAHN CCN1CCCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@H](O)C2)CC1 ZINC000072419488 535518990 /nfs/dbraw/zinc/51/89/90/535518990.db2.gz ZKDRXIRRXBNOBY-NRFANRHFSA-N 0 3 382.552 3.032 50 0 GGAAHN CN(C)Cc1ccc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)nc1 ZINC000091254861 536011918 /nfs/dbraw/zinc/01/19/18/536011918.db2.gz ONOBTPHHNTZAQT-HXUWFJFHSA-N 0 3 376.508 3.167 50 0 GGAAHN CN(C)Cc1ccc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)nc1 ZINC000091526688 536013746 /nfs/dbraw/zinc/01/37/46/536013746.db2.gz LXRBKYWBUCYOCC-HXUWFJFHSA-N 0 3 376.508 3.167 50 0 GGAAHN CCCSc1nc2sc3c(c2c(N2CCNCC2)n1)CC(C)(C)OC3 ZINC000002433094 564187235 /nfs/dbraw/zinc/18/72/35/564187235.db2.gz DGOHPCXBAKGGRO-UHFFFAOYSA-N 0 3 378.567 3.454 50 0 GGAAHN CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Cl)CC1 ZINC000013326350 564275502 /nfs/dbraw/zinc/27/55/02/564275502.db2.gz AQJKIMWWLRDZTQ-LLVKDONJSA-N 0 3 389.721 3.470 50 0 GGAAHN Cc1c2ccc(Br)cc2oc1C(=O)N1CCOC12CCN(C)CC2 ZINC000013690685 564278042 /nfs/dbraw/zinc/27/80/42/564278042.db2.gz FYSAOIKQPHEGJK-UHFFFAOYSA-N 0 3 393.281 3.398 50 0 GGAAHN CSCCCN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000014995251 564284155 /nfs/dbraw/zinc/28/41/55/564284155.db2.gz URZCDTLQYOPPTE-CQSZACIVSA-N 0 3 384.929 3.293 50 0 GGAAHN Cc1cc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)ccc1F ZINC000023127724 564322346 /nfs/dbraw/zinc/32/23/46/564322346.db2.gz CVQXHZKHOLJKSF-UHFFFAOYSA-N 0 3 382.526 3.386 50 0 GGAAHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2ccc(Br)cc2)C1 ZINC000035622943 564416350 /nfs/dbraw/zinc/41/63/50/564416350.db2.gz OYHSTDNSJRIFFV-CABCVRRESA-N 0 3 384.318 3.048 50 0 GGAAHN Cc1ncc(CNCCO)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095477409 564900389 /nfs/dbraw/zinc/90/03/89/564900389.db2.gz KZTNIXLMGQPGDY-UHFFFAOYSA-N 0 3 389.249 3.212 50 0 GGAAHN CN1CCN(Cc2sc3ccccc3c2Cl)C[C@@]12CCNC(=O)CC2 ZINC000107400830 564999253 /nfs/dbraw/zinc/99/92/53/564999253.db2.gz XHYGDYUDOCHLRD-LJQANCHMSA-N 0 3 377.941 3.341 50 0 GGAAHN Cc1nc(-c2ccc(CN3CCN(C)CC3)cc2)n(CCc2ccccc2)n1 ZINC000096130793 570210704 /nfs/dbraw/zinc/21/07/04/570210704.db2.gz UFSQTZVDPIDGFD-UHFFFAOYSA-N 0 3 375.520 3.244 50 0 GGAAHN O=C(NCCCN1CCC(O)CC1)Nc1ccccc1OCc1ccccc1 ZINC000096133754 570211832 /nfs/dbraw/zinc/21/18/32/570211832.db2.gz DUVPHBSGPMXTEB-UHFFFAOYSA-N 0 3 383.492 3.234 50 0 GGAAHN CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1cccc(-c2ccco2)c1 ZINC000096136898 570212020 /nfs/dbraw/zinc/21/20/20/570212020.db2.gz AGPAZEGYVCZZMN-SFHVURJKSA-N 0 3 384.480 3.011 50 0 GGAAHN CCOc1ccccc1CN1CCC(c2nnc(CN3CCCC3)n2C)CC1 ZINC000096137754 570212258 /nfs/dbraw/zinc/21/22/58/570212258.db2.gz BNSDCFRGBMUVTE-UHFFFAOYSA-N 0 3 383.540 3.189 50 0 GGAAHN Cc1ccc(CN2CCN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)cc1 ZINC000019742720 570212777 /nfs/dbraw/zinc/21/27/77/570212777.db2.gz SPVFETZQFJTFAQ-DEOSSOPVSA-N 0 3 390.531 3.250 50 0 GGAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)Nc2ccc3c(c2)C(=O)OC3)C1 ZINC000096163373 570217284 /nfs/dbraw/zinc/21/72/84/570217284.db2.gz HNRRRKOEGJHRNE-MRXNPFEDSA-N 0 3 379.460 3.276 50 0 GGAAHN CN1CCC(Oc2ccc(NC(=O)NCCOc3ccc(F)cc3)cc2)CC1 ZINC000096164681 570217938 /nfs/dbraw/zinc/21/79/38/570217938.db2.gz PCQIHADVLCASAL-UHFFFAOYSA-N 0 3 387.455 3.499 50 0 GGAAHN CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cccc(F)c2)CC1 ZINC000096167207 570218127 /nfs/dbraw/zinc/21/81/27/570218127.db2.gz DAFSZCNJGHBJDA-UHFFFAOYSA-N 0 3 382.487 3.370 50 0 GGAAHN NC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000096180394 570218801 /nfs/dbraw/zinc/21/88/01/570218801.db2.gz PKINAECGDBYFIS-MRXNPFEDSA-N 0 3 386.883 3.225 50 0 GGAAHN CCCCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)cc3)C2=O)cc1 ZINC000019809322 570221083 /nfs/dbraw/zinc/22/10/83/570221083.db2.gz NZRQKYNIDSYUBT-NRFANRHFSA-N 0 3 396.487 3.338 50 0 GGAAHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(F)cc1 ZINC000019819024 570221959 /nfs/dbraw/zinc/22/19/59/570221959.db2.gz UYQJIFIOUNVTGM-QGZVFWFLSA-N 0 3 382.391 3.264 50 0 GGAAHN COc1cc(C(=O)N2CCN([C@@H]3CCC[C@H](C)C3)CC2)cc(OC)c1OC ZINC000000783046 570223228 /nfs/dbraw/zinc/22/32/28/570223228.db2.gz FRMFDAOHDIRWBV-DOTOQJQBSA-N 0 3 376.497 3.049 50 0 GGAAHN OCCN1CCN(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000019907671 570229365 /nfs/dbraw/zinc/22/93/65/570229365.db2.gz DCGYPOGDZYVXKW-UHFFFAOYSA-N 0 3 395.547 3.053 50 0 GGAAHN O=C1[C@H]2[C@H](C(=O)N1CCN1CCCCC1)C1c3ccccc3C2c2ccccc21 ZINC000000988071 570233433 /nfs/dbraw/zinc/23/34/33/570233433.db2.gz SYTOQWJOLCMWER-BWWMBTDCSA-N 0 3 386.495 3.365 50 0 GGAAHN CN(C)CCN1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000097288770 570240479 /nfs/dbraw/zinc/24/04/79/570240479.db2.gz JBSQYDNXDATCGV-UHFFFAOYSA-N 0 3 386.471 3.329 50 0 GGAAHN OC[C@H]1CN(C/C=C/c2ccccc2)CCC12CCN(Cc1ncc[nH]1)CC2 ZINC000097272516 570240592 /nfs/dbraw/zinc/24/05/92/570240592.db2.gz IGIIJSDJFUAYOV-HXRGIAOBSA-N 0 3 380.536 3.020 50 0 GGAAHN OC[C@@H]1CN(C/C=C/c2ccccc2)CCC12CCN(Cc1ncc[nH]1)CC2 ZINC000097272515 570240654 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CC(=O)Nc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000263810909 1434036415 /nfs/dbraw/zinc/03/64/15/1434036415.db2.gz OBZYLTMFJZUMPB-UHFFFAOYSA-N 0 3 379.504 3.426 50 0 GGAAHN CO[C@]12CCN(Cc3n[nH]c(C)c3Cl)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426399120 231215300 /nfs/dbraw/zinc/21/53/00/231215300.db2.gz YSJNQPRMKBDWHB-URLQWDBASA-N 0 3 376.888 3.358 50 0 GGAAHN CCOc1ccccc1CN1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000426431738 231220496 /nfs/dbraw/zinc/22/04/96/231220496.db2.gz FRCBBYUNXHLZDU-IBGZPJMESA-N 0 3 383.540 3.189 50 0 GGAAHN Cc1ccccc1CN1CCn2c1nc1c(c2=O)CN(Cc2ccccc2)CC1 ZINC000409444150 231207422 /nfs/dbraw/zinc/20/74/22/231207422.db2.gz CPNBPKFMVTVDRX-UHFFFAOYSA-N 0 3 386.499 3.130 50 0 GGAAHN O=C(NCCCN1CCC[C@@H](O)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426370513 231208173 /nfs/dbraw/zinc/20/81/73/231208173.db2.gz MMQSHSWKKKZIJG-OAQYLSRUSA-N 0 3 377.488 3.412 50 0 GGAAHN Cc1c(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cnc2ccnn21 ZINC000426388128 231212187 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ZINC000021793559 207238005 /nfs/dbraw/zinc/23/80/05/207238005.db2.gz BUJIKHFYQIRTOR-UHFFFAOYSA-N 0 3 381.524 3.111 50 0 GGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccccc3)CC2)n1 ZINC000021795134 207238231 /nfs/dbraw/zinc/23/82/31/207238231.db2.gz ILUDXUXUFSFMNP-UHFFFAOYSA-N 0 3 380.496 3.129 50 0 GGAAHN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)N(C)C)no2)cc1 ZINC000021807501 207238445 /nfs/dbraw/zinc/23/84/45/207238445.db2.gz UIOKZXHDCIEXEP-FQEVSTJZSA-N 0 3 395.459 3.392 50 0 GGAAHN Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1C ZINC000021795116 207238889 /nfs/dbraw/zinc/23/88/89/207238889.db2.gz HFCUZEPEHXPDGB-UHFFFAOYSA-N 0 3 394.523 3.356 50 0 GGAAHN CN(Cc1ccc(N2CCNC2=O)cc1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000022851931 207263365 /nfs/dbraw/zinc/26/33/65/207263365.db2.gz HOZVQFOOUYUILA-NRFANRHFSA-N 0 3 396.510 3.452 50 0 GGAAHN CN1CCN(C(=O)c2ccc([C@@H]3CCCN3CCc3ccccc3)s2)CC1=O ZINC000023159402 207271265 /nfs/dbraw/zinc/27/12/65/207271265.db2.gz YYSNZKYAHFGNBP-SFHVURJKSA-N 0 3 397.544 3.042 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CC[C@H](Oc1ccc(F)cc1)C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000027741737 207330562 /nfs/dbraw/zinc/33/05/62/207330562.db2.gz BYTXMEJOSTZIBR-FQEVSTJZSA-N 0 3 391.531 3.050 50 0 GGAAHN CCN1CCN(C2(CNC(=O)[C@@H](C)Oc3ccccc3F)CCCCC2)CC1 ZINC000028403403 207342416 /nfs/dbraw/zinc/34/24/16/207342416.db2.gz HDQZZVMAPHRNII-GOSISDBHSA-N 0 3 391.531 3.050 50 0 GGAAHN O=C(CC1C(=O)N=C2Nc3ccccc3N21)Nc1cccc(OC(F)(F)F)c1 ZINC000030937491 207377350 /nfs/dbraw/zinc/37/73/50/207377350.db2.gz SYPUAFMRNPUKLG-CQSZACIVSA-N 0 3 390.321 3.111 50 0 GGAAHN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)CC1 ZINC000032541370 207397840 /nfs/dbraw/zinc/39/78/40/207397840.db2.gz ZUUUUCNQPCMSSP-LJQANCHMSA-N 0 3 395.551 3.268 50 0 GGAAHN O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C[C@@H]2CCCO2)CC1 ZINC000067742765 207904125 /nfs/dbraw/zinc/90/41/25/207904125.db2.gz HYPLWIGQTHRAHY-FQEVSTJZSA-N 0 3 382.508 3.270 50 0 GGAAHN Cc1ccc(C2(C[NH+]3CCCC3)CCN(C(=O)c3ccccc3[O-])CC2)nc1 ZINC000067804619 207908712 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GGAAHN Cc1ccc2nccc(N3CCC[C@H](c4nnc(Cn5ccnc5)n4C)C3)c2c1 ZINC000095385042 136178703 /nfs/dbraw/zinc/17/87/03/136178703.db2.gz DXJBBZBKAUMPGC-KRWDZBQOSA-N 0 3 387.491 3.301 50 0 GGAAHN CSc1nccc(N2CCC(N[C@@H](Cn3cccn3)c3ccccc3)CC2)n1 ZINC000095387801 136178843 /nfs/dbraw/zinc/17/88/43/136178843.db2.gz RRCMTRZLLKUXTC-IBGZPJMESA-N 0 3 394.548 3.395 50 0 GGAAHN Cc1cccc2cc(CO)c(N3CCC[C@H](c4nccn4CCN(C)C)C3)nc12 ZINC000095526879 136181600 /nfs/dbraw/zinc/18/16/00/136181600.db2.gz RHGICLLQXQUPQI-IBGZPJMESA-N 0 3 393.535 3.178 50 0 GGAAHN Cc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)nc(N)n1 ZINC000096137412 136184174 /nfs/dbraw/zinc/18/41/74/136184174.db2.gz JPBTZKZWCRQCEK-IBGZPJMESA-N 0 3 391.519 3.132 50 0 GGAAHN Cc1cc(N2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)c2ccccc2n1 ZINC000096139503 136184294 /nfs/dbraw/zinc/18/42/94/136184294.db2.gz BTQNBIVBHQIJRD-LJQANCHMSA-N 0 3 380.536 3.314 50 0 GGAAHN COC[C@H](NC1CCN(c2ncnc3sc(C)cc32)CC1)c1ccccn1 ZINC000096150173 136184592 /nfs/dbraw/zinc/18/45/92/136184592.db2.gz AXIAGAFCKYKMTQ-SFHVURJKSA-N 0 3 383.521 3.341 50 0 GGAAHN O=c1c(CN2CCN(c3ccccc3)CC2)coc([O-])c1C[NH+]1CCCCCC1 ZINC000101411855 136189796 /nfs/dbraw/zinc/18/97/96/136189796.db2.gz TZKALJOCJXPTJJ-UHFFFAOYSA-N 0 3 397.519 3.044 50 0 GGAAHN CCc1nn(C)cc1-c1cccc(C(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000299762318 209084728 /nfs/dbraw/zinc/08/47/28/209084728.db2.gz UBUWYNMOCMUHRE-UHFFFAOYSA-N 0 3 375.476 3.007 50 0 GGAAHN COCCc1noc([C@@H](C)NC(=O)Nc2cccc(CN3CCCCC3)c2)n1 ZINC000299773254 209086175 /nfs/dbraw/zinc/08/61/75/209086175.db2.gz BURKIJMEOCNXFE-OAHLLOKOSA-N 0 3 387.484 3.127 50 0 GGAAHN COc1c(C)cc(-c2cccc(C(=O)N3CC[C@@](O)(CN(C)C)C3)c2)cc1C ZINC000299773586 209086241 /nfs/dbraw/zinc/08/62/41/209086241.db2.gz DJDVETWSCCXCSW-HSZRJFAPSA-N 0 3 382.504 3.118 50 0 GGAAHN Cc1nc(-c2cccc(C(=O)N(C)[C@H](CN(C)C)c3ccccc3)c2)nn1C ZINC000299772980 209087001 /nfs/dbraw/zinc/08/70/01/209087001.db2.gz BILDTRKVEGROSB-HXUWFJFHSA-N 0 3 377.492 3.165 50 0 GGAAHN C[C@H]1CN(C(=O)c2ccc(-c3ccc(-c4c[nH]c(N)n4)cc3)cc2)CCCO1 ZINC000426373635 533875148 /nfs/dbraw/zinc/87/51/48/533875148.db2.gz OKXFTVFVAQHRRW-HNNXBMFYSA-N 0 3 376.460 3.407 50 0 GGAAHN O=C(NCCN1CCCCC1)c1cccc(-c2n[nH]c(=O)c3ccccc32)c1 ZINC000426386869 534328407 /nfs/dbraw/zinc/32/84/07/534328407.db2.gz HLACEIGZYSFJOT-UHFFFAOYSA-N 0 3 376.460 3.218 50 0 GGAAHN Cc1nn(C)cc1CN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000426649624 534832793 /nfs/dbraw/zinc/83/27/93/534832793.db2.gz LPOSIOUUPJIGDY-NRFANRHFSA-N 0 3 383.540 3.487 50 0 GGAAHN CC(C)(C)NC(=O)CN1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426475425 526306424 /nfs/dbraw/zinc/30/64/24/526306424.db2.gz LXOYXTHHJWQUAW-NRFANRHFSA-N 0 3 379.495 3.167 50 0 GGAAHN CC(=O)NCc1cccc(-c2ccc(C(=O)NC[C@H]3CCCCN3C)cc2)c1 ZINC000426370926 526813913 /nfs/dbraw/zinc/81/39/13/526813913.db2.gz IMNALWNMUCVWRN-JOCHJYFZSA-N 0 3 379.504 3.204 50 0 GGAAHN CC(C)CNC(=O)CN1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426701560 528034595 /nfs/dbraw/zinc/03/45/95/528034595.db2.gz GCRLOGAVYCFQAK-NRFANRHFSA-N 0 3 379.495 3.025 50 0 GGAAHN CCCN1CCC[C@@H](NC(=O)N2CCC(Oc3ccc(OC)cc3)CC2)C1 ZINC000426633811 528218963 /nfs/dbraw/zinc/21/89/63/528218963.db2.gz GNTSQPZPRJAUBZ-QGZVFWFLSA-N 0 3 375.513 3.122 50 0 GGAAHN CCN1CCC[C@H]1CNC(=O)N(Cc1ccncc1)Cc1ccc(OC)cc1 ZINC000426535019 529104055 /nfs/dbraw/zinc/10/40/55/529104055.db2.gz BXOIUHNNUAKLEP-FQEVSTJZSA-N 0 3 382.508 3.286 50 0 GGAAHN CCN1CCN(C2CCN(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000426530828 529136511 /nfs/dbraw/zinc/13/65/11/529136511.db2.gz NEWWJCTXYWLZBC-MRXNPFEDSA-N 0 3 378.948 3.213 50 0 GGAAHN CCNc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(C)n1 ZINC000065363589 535521835 /nfs/dbraw/zinc/52/18/35/535521835.db2.gz SZPNQLKROIEBRP-UHFFFAOYSA-N 0 3 392.866 3.363 50 0 GGAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(c2ccc(Cl)cn2)CC1 ZINC000096130619 535559744 /nfs/dbraw/zinc/55/97/44/535559744.db2.gz GYJMTFDIAAPQSN-GOSISDBHSA-N 0 3 378.948 3.332 50 0 GGAAHN CCc1cc(N2CCC(N3CCN(Cc4cccs4)CC3)CC2)nc(C)n1 ZINC000095521582 536145466 /nfs/dbraw/zinc/14/54/66/536145466.db2.gz OKFLTKMOZURXQF-UHFFFAOYSA-N 0 3 385.581 3.196 50 0 GGAAHN CC(C)Sc1nc2sc3c(c2c(N2CCNCC2)n1)CC(C)(C)OC3 ZINC000002414663 564187888 /nfs/dbraw/zinc/18/78/88/564187888.db2.gz RKOWMDVEHJCARD-UHFFFAOYSA-N 0 3 378.567 3.453 50 0 GGAAHN O=C1C[C@H](NCCc2ccccc2F)C(=O)N1c1ccc(Br)cc1 ZINC000004198986 564201500 /nfs/dbraw/zinc/20/15/00/564201500.db2.gz QQXHVPTUTBVXCK-INIZCTEOSA-N 0 3 391.240 3.052 50 0 GGAAHN Brc1cccc(CNCCSc2nnnn2-c2ccccc2)c1 ZINC000006719677 564227177 /nfs/dbraw/zinc/22/71/77/564227177.db2.gz BECAIFOCIFGJKH-UHFFFAOYSA-N 0 3 390.310 3.307 50 0 GGAAHN C[C@H](CN1CCC(C)CC1)NC(=O)[C@@]1(C)CC1(Br)Br ZINC000006849580 564229025 /nfs/dbraw/zinc/22/90/25/564229025.db2.gz LXDUPBWILSTEEG-DGCLKSJQSA-N 0 3 396.167 3.119 50 0 GGAAHN Cc1csc(SCC(=O)N[C@H]2CCCN(CCc3ccccc3)C2)n1 ZINC000011951381 564265599 /nfs/dbraw/zinc/26/55/99/564265599.db2.gz AGDBAXIMNRGBBB-KRWDZBQOSA-N 0 3 375.563 3.367 50 0 GGAAHN CC[C@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000013647865 564277213 /nfs/dbraw/zinc/27/72/13/564277213.db2.gz BUQZBDRNZPXTRO-LBPRGKRZSA-N 0 3 395.388 3.444 50 0 GGAAHN CC[C@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000013647865 564277219 /nfs/dbraw/zinc/27/72/19/564277219.db2.gz BUQZBDRNZPXTRO-LBPRGKRZSA-N 0 3 395.388 3.444 50 0 GGAAHN COc1ccc(C(=O)[C@@H]2CCCN(C3CSCCSC3)C2)c(OC)c1 ZINC000013594190 564277421 /nfs/dbraw/zinc/27/74/21/564277421.db2.gz OZXBLABFZFSYBQ-CQSZACIVSA-N 0 3 381.563 3.447 50 0 GGAAHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2ccc(Br)cc2)C1 ZINC000035622944 564416081 /nfs/dbraw/zinc/41/60/81/564416081.db2.gz OYHSTDNSJRIFFV-GJZGRUSLSA-N 0 3 384.318 3.048 50 0 GGAAHN CCOc1cc(Cl)c(CNCCc2cn3nc(C)sc3n2)cc1OC ZINC000055271248 564618101 /nfs/dbraw/zinc/61/81/01/564618101.db2.gz FAKNEBOXJRAORX-UHFFFAOYSA-N 0 3 380.901 3.492 50 0 GGAAHN O=S(=O)(Cc1ccccc1Cl)NCC1CCN(c2ccncc2)CC1 ZINC000070922179 564852970 /nfs/dbraw/zinc/85/29/70/564852970.db2.gz CALALAPCPOPVRG-UHFFFAOYSA-N 0 3 379.913 3.071 50 0 GGAAHN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](N2CCC(CO)CC2)C1 ZINC000072125455 564861853 /nfs/dbraw/zinc/86/18/53/564861853.db2.gz JLOPPOMPSHVJRQ-MRXNPFEDSA-N 0 3 385.335 3.231 50 0 GGAAHN Clc1ccc([C@H]2CN(Cc3cc4n(n3)CCCNC4)CCO2)cc1Cl ZINC000072151997 564861980 /nfs/dbraw/zinc/86/19/80/564861980.db2.gz HWYYAYFAUUNFLD-GOSISDBHSA-N 0 3 381.307 3.257 50 0 GGAAHN O=C(c1cc(C(F)(F)F)ccc1Cl)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000219541090 565901774 /nfs/dbraw/zinc/90/17/74/565901774.db2.gz QAQKQCQBLHGTTI-GJZGRUSLSA-N 0 3 376.806 3.030 50 0 GGAAHN O=C(CN1CCN2CCC[C@H]2C1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000239287416 565983083 /nfs/dbraw/zinc/98/30/83/565983083.db2.gz CSXQWAOEWYHBPF-HNNXBMFYSA-N 0 3 376.913 3.182 50 0 GGAAHN O=C(NCCCN1CCCC[C@H]1CO)c1cc(C(F)(F)F)ccc1Cl ZINC000670453305 566363111 /nfs/dbraw/zinc/36/31/11/566363111.db2.gz NGFBBRKHBIYGSZ-ZDUSSCGKSA-N 0 3 378.822 3.326 50 0 GGAAHN COc1ccc([C@@H](CNC(=O)CCc2nc3ccccc3[nH]2)N2CCCC2)cc1 ZINC000011563821 570230051 /nfs/dbraw/zinc/23/00/51/570230051.db2.gz OZNNYXNMXBRYNA-OAQYLSRUSA-N 0 3 392.503 3.457 50 0 GGAAHN CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000035107849 570233645 /nfs/dbraw/zinc/23/36/45/570233645.db2.gz RKBQDLCMQFHCOX-YLJYHZDGSA-N 0 3 381.524 3.075 50 0 biogenic GGAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccncc1 ZINC000011614677 570236025 /nfs/dbraw/zinc/23/60/25/570236025.db2.gz MMQDYPOTFDZCLB-SFHVURJKSA-N 0 3 397.862 3.338 50 0 GGAAHN Cc1ccccc1CN1CCN(Cc2cccn2-c2nccs2)C[C@H]1CCO ZINC000104310969 570256646 /nfs/dbraw/zinc/25/66/46/570256646.db2.gz FDLHFPUUEZQNSP-HXUWFJFHSA-N 0 3 396.560 3.311 50 0 GGAAHN CC(C)(C)CN1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1CCO ZINC000104415380 570257631 /nfs/dbraw/zinc/25/76/31/570257631.db2.gz YHVBISUWFMHAMX-HXUWFJFHSA-N 0 3 390.959 3.440 50 0 GGAAHN COc1cc(Cl)cc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1OC ZINC000104408843 570257949 /nfs/dbraw/zinc/25/79/49/570257949.db2.gz WSEGRYUGOUBQDG-QGZVFWFLSA-N 0 3 384.948 3.272 50 0 GGAAHN COc1cc(Cl)c(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)cc1OC ZINC000104425166 570258320 /nfs/dbraw/zinc/25/83/20/570258320.db2.gz XSZSYJVYUICOBH-MRXNPFEDSA-N 0 3 384.948 3.272 50 0 GGAAHN COc1cc(CN2CCN(CC3CCCCC3)C[C@H]2CCO)cc(OC)c1 ZINC000104504985 570259017 /nfs/dbraw/zinc/25/90/17/570259017.db2.gz NJWRFWNEIHPHTB-HXUWFJFHSA-N 0 3 376.541 3.153 50 0 GGAAHN COc1ccc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)cc1OC ZINC000104534158 570259855 /nfs/dbraw/zinc/25/98/55/570259855.db2.gz VHCXWULZPZTRCO-OAQYLSRUSA-N 0 3 384.520 3.081 50 0 GGAAHN Cc1ccccc1CN1CCN(Cc2cccn2-c2cccnc2)C[C@H]1CCO ZINC000104548262 570260237 /nfs/dbraw/zinc/26/02/37/570260237.db2.gz OFRVICKXDDDWTB-HSZRJFAPSA-N 0 3 390.531 3.250 50 0 GGAAHN CN1CCN(Cc2ccccc2Cl)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107412435 570261251 /nfs/dbraw/zinc/26/12/51/570261251.db2.gz RDTHDWXURNGEHJ-OAQYLSRUSA-N 0 3 375.944 3.249 50 0 GGAAHN CS(=O)(=O)N1CCc2cc(NC3CCN(Cc4ccccc4)CC3)ccc21 ZINC000001501624 570264232 /nfs/dbraw/zinc/26/42/32/570264232.db2.gz AKZCCXKBHKVPSS-UHFFFAOYSA-N 0 3 385.533 3.085 50 0 GGAAHN COc1ccccc1CN(C(=O)NC1CCN(C[C@@H]2CCCO2)CC1)C1CC1 ZINC000584901424 570270820 /nfs/dbraw/zinc/27/08/20/570270820.db2.gz QEXUUFYVRURIBV-FQEVSTJZSA-N 0 3 387.524 3.013 50 0 GGAAHN COc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000002828233 570305402 /nfs/dbraw/zinc/30/54/02/570305402.db2.gz LCDMOYFBSSFNNY-UHFFFAOYSA-N 0 3 393.531 3.256 50 0 GGAAHN O=C(CCc1cccnc1)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012318630 570307257 /nfs/dbraw/zinc/30/72/57/570307257.db2.gz TWWYDWHJIFFNQP-JOCHJYFZSA-N 0 3 378.520 3.170 50 0 GGAAHN O=C(CCc1cccnc1)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012318633 570307411 /nfs/dbraw/zinc/30/74/11/570307411.db2.gz TWWYDWHJIFFNQP-QFIPXVFZSA-N 0 3 378.520 3.170 50 0 GGAAHN Cc1ccc(C(N)=O)c(N2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 ZINC000106974654 570307870 /nfs/dbraw/zinc/30/78/70/570307870.db2.gz QVLVLGOHZFJVME-HXUWFJFHSA-N 0 3 384.499 3.365 50 0 GGAAHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000023846117 570333191 /nfs/dbraw/zinc/33/31/91/570333191.db2.gz XXNLSVGTTLPGOI-QHCPKHFHSA-N 0 3 390.531 3.480 50 0 GGAAHN CN1CCC(OCCCNC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000584903921 570350367 /nfs/dbraw/zinc/35/03/67/570350367.db2.gz PGKLKZMCZAMJAE-QGZVFWFLSA-N 0 3 379.932 3.340 50 0 GGAAHN COCCCN1C(=O)C(CC(=O)Nc2ccccc2F)n2c3ccccc3nc21 ZINC000023411184 570361688 /nfs/dbraw/zinc/36/16/88/570361688.db2.gz RTYHKTQBBSMPLZ-SFHVURJKSA-N 0 3 396.422 3.128 50 0 GGAAHN COCCCN1C(=O)C(CC(=O)Nc2ccccc2F)n2c3ccccc3nc21 ZINC000023411181 570361778 /nfs/dbraw/zinc/36/17/78/570361778.db2.gz RTYHKTQBBSMPLZ-GOSISDBHSA-N 0 3 396.422 3.128 50 0 GGAAHN CN(C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc2c(c1)CCO2 ZINC000090607243 570382988 /nfs/dbraw/zinc/38/29/88/570382988.db2.gz CVSCHKLRLINREL-LJQANCHMSA-N 0 3 377.444 3.309 50 0 GGAAHN COc1cccc2cc(C(=O)NC[C@@H](c3ccc4c(c3)CCO4)N(C)C)oc21 ZINC000090607244 570383212 /nfs/dbraw/zinc/38/32/12/570383212.db2.gz PBJYFUUZOPTXDO-KRWDZBQOSA-N 0 3 380.444 3.409 50 0 GGAAHN COc1cccc(CN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1 ZINC000004707021 570396380 /nfs/dbraw/zinc/39/63/80/570396380.db2.gz OJUQZMNZHRKZGM-UHFFFAOYSA-N 0 3 393.531 3.256 50 0 GGAAHN COCCNC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004725467 570398161 /nfs/dbraw/zinc/39/81/61/570398161.db2.gz KZBIRKWWZYEWAY-UHFFFAOYSA-N 0 3 382.504 3.240 50 0 GGAAHN Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCN(C)C)cc1 ZINC000004802751 570406374 /nfs/dbraw/zinc/40/63/74/570406374.db2.gz QIDAHWHPNICZKK-RGEXLXHISA-N 0 3 385.895 3.097 50 0 GGAAHN CCN(CC)CCN(C(=O)C1=COCCO1)c1nc2ccc(C)cc2s1 ZINC000005121790 570421688 /nfs/dbraw/zinc/42/16/88/570421688.db2.gz VWYHVYRXAYFNKU-UHFFFAOYSA-N 0 3 375.494 3.168 50 0 GGAAHN C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@H]2NCCCN2CCOCC2)[C@H]1C ZINC000239164901 570428241 /nfs/dbraw/zinc/42/82/41/570428241.db2.gz NCWFJKCFMCJXEG-KSCDAYEDSA-N 0 3 389.584 3.162 50 0 GGAAHN COc1cccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)c1 ZINC000005274595 570432984 /nfs/dbraw/zinc/43/29/84/570432984.db2.gz YNKNQSKOUVHNEO-LJQANCHMSA-N 0 3 397.862 3.294 50 0 GGAAHN Cn1cccc1[C@@H](CNC(=O)c1cc2ccccc2oc1=O)N1CCCCCC1 ZINC000011846292 570437667 /nfs/dbraw/zinc/43/76/67/570437667.db2.gz SZYQGSUHIAWPIO-HXUWFJFHSA-N 0 3 393.487 3.479 50 0 GGAAHN CN(Cc1ccccc1)C1(C(=O)N[C@H]2CC[C@H](O)CC2)Cc2ccccc2C1 ZINC000248075689 570440932 /nfs/dbraw/zinc/44/09/32/570440932.db2.gz UDKXOXQMRCNSBO-HZCBDIJESA-N 0 3 378.516 3.076 50 0 GGAAHN Cc1ccc2c(c1)N(CCCCN1CCN(c3ccccc3)CC1)C(=O)CO2 ZINC000005740506 570454649 /nfs/dbraw/zinc/45/46/49/570454649.db2.gz KXQJZUWFUWWTAG-UHFFFAOYSA-N 0 3 379.504 3.323 50 0 GGAAHN CN(C)[C@@H](CNC(=O)N(C)Cc1n[nH]c2c1CCCCC2)c1cccs1 ZINC000584885187 570471486 /nfs/dbraw/zinc/47/14/86/570471486.db2.gz JQJLMPKSHZLNMI-KRWDZBQOSA-N 0 3 375.542 3.184 50 0 GGAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(O)c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000136602734 570475699 /nfs/dbraw/zinc/47/56/99/570475699.db2.gz WBFBHGZYXQPKOV-PWRODBHTSA-N 0 3 386.407 3.443 50 0 GGAAHN CCOC(=O)N1CCN(C(=O)C2CCN(C/C(C)=C/c3ccccc3)CC2)CC1 ZINC000006349925 570477871 /nfs/dbraw/zinc/47/78/71/570477871.db2.gz NJOZBVYSJXXDGB-HTXNQAPBSA-N 0 3 399.535 3.103 50 0 GGAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000137475082 570482839 /nfs/dbraw/zinc/48/28/39/570482839.db2.gz QKTFXYYTRSOINQ-PWRODBHTSA-N 0 3 386.407 3.443 50 0 GGAAHN Cc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)o1 ZINC000006627907 570485264 /nfs/dbraw/zinc/48/52/64/570485264.db2.gz JMFKTJVVGKYILV-UHFFFAOYSA-N 0 3 385.483 3.288 50 0 GGAAHN Cc1nn(Cc2ccccc2C)c(C)c1NC(=S)N1CCN2CCC[C@H]2C1 ZINC000002803204 570517113 /nfs/dbraw/zinc/51/71/13/570517113.db2.gz ZCJCEKHGNDEKGZ-IBGZPJMESA-N 0 3 383.565 3.333 50 0 GGAAHN COc1ccc2c(c1)oc1c(c2=O)C(c2ccccn2)N(c2nccs2)C1=O ZINC000006660693 570524293 /nfs/dbraw/zinc/52/42/93/570524293.db2.gz ROLQSOKOAVYQBV-MRXNPFEDSA-N 0 3 391.408 3.403 50 0 GGAAHN Cc1c(CN2CCN(c3ccc(C)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023280281 570537040 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Cc1cc(-n2cccn2)ccc1CN1CCN(Cc2ccccc2)[C@H](CCO)C1 ZINC000039486003 570592684 /nfs/dbraw/zinc/59/26/84/570592684.db2.gz XSAIXFCWHQNAEP-XMMPIXPASA-N 0 3 390.531 3.250 50 0 GGAAHN Cc1cc(C)c(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c(-n2cccn2)c1 ZINC000039500122 570592907 /nfs/dbraw/zinc/59/29/07/570592907.db2.gz LGLVMDOJIFYNHZ-HXUWFJFHSA-N 0 3 384.568 3.404 50 0 GGAAHN CCOC(=O)N1CCC(N2CCC[C@@H](Nc3ccc(OC)c(OC)c3)C2)CC1 ZINC000011937493 570594498 /nfs/dbraw/zinc/59/44/98/570594498.db2.gz BGILSNHYTMGTEW-QGZVFWFLSA-N 0 3 391.512 3.201 50 0 GGAAHN CN(C)CCNC(=O)CCC1CCN(C/C(Cl)=C/c2ccccc2)CC1 ZINC000011952156 570595835 /nfs/dbraw/zinc/59/58/35/570595835.db2.gz NFVJSMJICUESFP-SILNSSARSA-N 0 3 377.960 3.436 50 0 GGAAHN CCCC[C@@H]1CN(CCC(=O)NCc2cc(C)n(C)n2)Cc2ccccc2O1 ZINC000011978686 570596773 /nfs/dbraw/zinc/59/67/73/570596773.db2.gz KAPPKEZCSSMIMC-HXUWFJFHSA-N 0 3 384.524 3.188 50 0 GGAAHN C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(-c3ccccc3)n2CC1 ZINC000012039081 570599963 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211192586 /nfs/dbraw/zinc/19/25/86/211192586.db2.gz ISANZDATROVQAL-UHFFFAOYSA-N 0 3 379.504 3.495 50 0 GGAAHN Cc1nn(CCO)cc1CN1CCC[C@@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000077387026 211132361 /nfs/dbraw/zinc/13/23/61/211132361.db2.gz FYXDONNLGQZXDD-LJQANCHMSA-N 0 3 379.508 3.262 50 0 GGAAHN O=C1CC[C@@]2(CCCN(Cc3cnc(-c4ccccc4)s3)C2)CN1CCO ZINC000077420823 211132457 /nfs/dbraw/zinc/13/24/57/211132457.db2.gz WHYUCEWKNBGQBO-OAQYLSRUSA-N 0 3 385.533 3.007 50 0 GGAAHN CC[C@@]1(C)CC(=O)c2cc(NC(=O)CCc3cc4n(n3)CCCNC4)ccc2O1 ZINC000072423356 211115837 /nfs/dbraw/zinc/11/58/37/211115837.db2.gz CXQZHNBJYKBNCF-QFIPXVFZSA-N 0 3 396.491 3.082 50 0 GGAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC(=O)NC[C@H]2C)c1 ZINC000072421910 211115674 /nfs/dbraw/zinc/11/56/74/211115674.db2.gz VGNAHJQRHYAKCI-QGZVFWFLSA-N 0 3 390.487 3.258 50 0 GGAAHN CC(=O)c1[nH]c(C)c(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)c1C ZINC000072473855 211122327 /nfs/dbraw/zinc/12/23/27/211122327.db2.gz WJUNFKZQTCVEIH-UHFFFAOYSA-N 0 3 379.504 3.497 50 0 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CNc1nc(CN2C[C@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)cs1 ZINC000072120925 211072219 /nfs/dbraw/zinc/07/22/19/211072219.db2.gz KKKUVWVFRLBECZ-VAMGGRTRSA-N 0 3 384.549 3.256 50 0 GGAAHN Cc1nccn1CCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072120777 211071997 /nfs/dbraw/zinc/07/19/97/211071997.db2.gz BOJPTWOEFQVUOY-OAQYLSRUSA-N 0 3 386.515 3.480 50 0 GGAAHN O=C(c1ccc2cccnc2n1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071774611 211062403 /nfs/dbraw/zinc/06/24/03/211062403.db2.gz IAHDDXVPECNDGL-KSEOMHKRSA-N 0 3 384.483 3.332 50 0 GGAAHN COc1cccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1OCCN(C)C ZINC000071762405 211061064 /nfs/dbraw/zinc/06/10/64/211061064.db2.gz IXIXIZCLWDTXSQ-OAQYLSRUSA-N 0 3 388.483 3.348 50 0 GGAAHN Cc1cnn(CCC(=O)N2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071745178 211053311 /nfs/dbraw/zinc/05/33/11/211053311.db2.gz OCTXNEORGPVJNC-NRFANRHFSA-N 0 3 386.515 3.480 50 0 GGAAHN CCCN(C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000071479641 211049564 /nfs/dbraw/zinc/04/95/64/211049564.db2.gz NFAYCMDTZRITPA-UHFFFAOYSA-N 0 3 397.567 3.267 50 0 GGAAHN C[C@](N)(Cc1ccccc1)C(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000067966384 211031669 /nfs/dbraw/zinc/03/16/69/211031669.db2.gz GZPRYIOQMOGAEZ-QFIPXVFZSA-N 0 3 378.451 3.061 50 0 GGAAHN CC(C)(NC[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O)c1ccccc1 ZINC000067965867 211030690 /nfs/dbraw/zinc/03/06/90/211030690.db2.gz XPZKHTIRNRQHNQ-JOCHJYFZSA-N 0 3 388.458 3.343 50 0 GGAAHN COc1cccc(CNC[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000067909222 211028881 /nfs/dbraw/zinc/02/88/81/211028881.db2.gz IXUHIHWQADKBGX-DEOSSOPVSA-N 0 3 396.531 3.462 50 0 GGAAHN CN(C[C@@]1(C)CCN(C)C1)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000067847213 211025071 /nfs/dbraw/zinc/02/50/71/211025071.db2.gz AMALDKACZMVJJA-QFIPXVFZSA-N 0 3 394.475 3.216 50 0 GGAAHN COc1ccc2[nH]c(CNCc3cn(CCC(N)=O)c4ccccc34)cc2c1 ZINC000067757096 211021744 /nfs/dbraw/zinc/02/17/44/211021744.db2.gz OIHIUXMZZFTKPJ-UHFFFAOYSA-N 0 3 376.460 3.296 50 0 GGAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3cccc(-c4cnco4)c3)cnn2c1 ZINC000067771431 211021306 /nfs/dbraw/zinc/02/13/06/211021306.db2.gz JEWQRTATOLCJIF-UHFFFAOYSA-N 0 3 390.447 3.478 50 0 GGAAHN Cc1ccc2cc(CN(Cc3ccncc3)C3CCN(C)CC3)c(=O)[nH]c2c1 ZINC000067785046 211020811 /nfs/dbraw/zinc/02/08/11/211020811.db2.gz DHBHLTXBFONHSP-UHFFFAOYSA-N 0 3 376.504 3.328 50 0 GGAAHN CCN(CC)Cc1cnc2c(C(=O)N3CCC[C@H]3c3nccs3)cnn2c1 ZINC000067789345 211022000 /nfs/dbraw/zinc/02/20/00/211022000.db2.gz KFJHVQTVTIOVJH-INIZCTEOSA-N 0 3 384.509 3.005 50 0 GGAAHN O=C(c1[nH]nnc1Nc1cccc(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000067284655 211007057 /nfs/dbraw/zinc/00/70/57/211007057.db2.gz XSCCHHPCHLJAQS-UHFFFAOYSA-N 0 3 388.903 3.292 50 0 GGAAHN O=C(c1[nH]nnc1Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000067284304 211006325 /nfs/dbraw/zinc/00/63/25/211006325.db2.gz QLAIAJSOJBBMMJ-UHFFFAOYSA-N 0 3 388.903 3.292 50 0 GGAAHN Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 ZINC000021795070 210393514 /nfs/dbraw/zinc/39/35/14/210393514.db2.gz 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ZINC000020915315 210368459 /nfs/dbraw/zinc/36/84/59/210368459.db2.gz CFZJHOZLSSVJQT-UHFFFAOYSA-N 0 3 390.491 3.130 50 0 GGAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCCc1ccncc1 ZINC000020905771 210368158 /nfs/dbraw/zinc/36/81/58/210368158.db2.gz PQMRCJXBPXATSG-UHFFFAOYSA-N 0 3 391.519 3.386 50 0 GGAAHN Fc1ccc2[nH]c(CN3CCC[C@H](N4CCN(c5ccccc5)CC4)C3)nc2c1 ZINC000020905472 210367812 /nfs/dbraw/zinc/36/78/12/210367812.db2.gz QICNJFGOGDKNPL-FQEVSTJZSA-N 0 3 393.510 3.489 50 0 GGAAHN Cc1oc(-c2cc(F)ccc2F)nc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000020858002 210364887 /nfs/dbraw/zinc/36/48/87/210364887.db2.gz SLFMSQGVJRUPSN-MRXNPFEDSA-N 0 3 391.462 3.472 50 0 GGAAHN Cc1cc(C)n(Cc2cccc(CN3CCC(O)(c4ccccn4)CC3)c2)n1 ZINC000020854565 210362436 /nfs/dbraw/zinc/36/24/36/210362436.db2.gz RHRNTIJFQATPHW-UHFFFAOYSA-N 0 3 376.504 3.427 50 0 GGAAHN COc1ccc2c(ccn2CC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000020745060 210359932 /nfs/dbraw/zinc/35/99/32/210359932.db2.gz NQIQFOHPAOCHIK-UHFFFAOYSA-N 0 3 377.488 3.431 50 0 GGAAHN Cc1occc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1)CC2 ZINC000020598604 210349822 /nfs/dbraw/zinc/34/98/22/210349822.db2.gz USXPQIABTMHANO-MRXNPFEDSA-N 0 3 393.491 3.037 50 0 GGAAHN OCc1ccc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)o1 ZINC000020539386 210346873 /nfs/dbraw/zinc/34/68/73/210346873.db2.gz DNOWFYJRSXIDCA-LJQANCHMSA-N 0 3 389.927 3.212 50 0 GGAAHN CN1CCN(C(=O)CC[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020543148 210346554 /nfs/dbraw/zinc/34/65/54/210346554.db2.gz VABSPAUUJAWYSA-QGZVFWFLSA-N 0 3 397.485 3.472 50 0 GGAAHN OCC[C@@H]1CN(C2CCN(c3ccccc3)CC2)CCN1Cc1cccs1 ZINC000020541597 210346470 /nfs/dbraw/zinc/34/64/70/210346470.db2.gz LARXACMFEMROEM-OAQYLSRUSA-N 0 3 385.577 3.286 50 0 GGAAHN CCN1CCN(CCc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1 ZINC000020518506 210344280 /nfs/dbraw/zinc/34/42/80/210344280.db2.gz WEONMLYERLDZGR-UHFFFAOYSA-N 0 3 391.519 3.006 50 0 GGAAHN Cc1nn(C)cc1-c1ccnc(N2CCC(N3CCc4ccccc4C3)CC2)n1 ZINC000020455784 210337254 /nfs/dbraw/zinc/33/72/54/210337254.db2.gz JKRFLUQQZKUQLW-UHFFFAOYSA-N 0 3 388.519 3.213 50 0 GGAAHN COC(=O)c1ccc(N2CCNCC2)c(NC(=O)c2ccc(C)cc2Cl)c1 ZINC000020357103 210329218 /nfs/dbraw/zinc/32/92/18/210329218.db2.gz JKGYMBGCVWJNBT-UHFFFAOYSA-N 0 3 387.867 3.097 50 0 GGAAHN CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)C[C@@H]1CCCCN1C ZINC000020256822 210323903 /nfs/dbraw/zinc/32/39/03/210323903.db2.gz QOKZDOIUPDKVSR-SFHVURJKSA-N 0 3 385.556 3.123 50 0 GGAAHN COc1cc(CN2CCN(Cc3cc(C)ccc3C)C[C@@H]2CCO)cc(OC)c1 ZINC000020451708 210335701 /nfs/dbraw/zinc/33/57/01/210335701.db2.gz BWWQRURGYWIFOY-QFIPXVFZSA-N 0 3 398.547 3.389 50 0 GGAAHN CCn1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c(C)n1 ZINC000020451640 210335392 /nfs/dbraw/zinc/33/53/92/210335392.db2.gz MAAPUPYRXDUPSU-HXUWFJFHSA-N 0 3 385.531 3.137 50 0 GGAAHN COc1cccc(CN2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)c1 ZINC000020406360 210332336 /nfs/dbraw/zinc/33/23/36/210332336.db2.gz ZJHWCVJMSCDXSC-QFIPXVFZSA-N 0 3 391.515 3.312 50 0 GGAAHN CCn1ncc(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1C ZINC000020211336 210322003 /nfs/dbraw/zinc/32/20/03/210322003.db2.gz YRLVRAXSLRHZKR-OAQYLSRUSA-N 0 3 397.567 3.007 50 0 GGAAHN O[C@H]1[C@H](n2ccnc2)c2ccccc2C12CCN(C/C=C/c1ccco1)CC2 ZINC000020203127 210321756 /nfs/dbraw/zinc/32/17/56/210321756.db2.gz KRZLZPFBIDYHAK-IDZOVPKWSA-N 0 3 375.472 3.487 50 0 GGAAHN Cc1ncsc1CCCNCc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000020119813 210318287 /nfs/dbraw/zinc/31/82/87/210318287.db2.gz RTBLXBFMQFPKPW-UHFFFAOYSA-N 0 3 383.521 3.058 50 0 GGAAHN COc1ccc(CCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1OC ZINC000020100534 210315438 /nfs/dbraw/zinc/31/54/38/210315438.db2.gz LFWDHUPRRLWZQY-UHFFFAOYSA-N 0 3 382.504 3.275 50 0 GGAAHN CCN(CC)CCn1c2ccccc2n(C[C@H](O)COc2ccc(C)cc2)c1=N ZINC000020064473 210314818 /nfs/dbraw/zinc/31/48/18/210314818.db2.gz CHJWOVMZNMBIBB-IBGZPJMESA-N 0 3 396.535 3.012 50 0 GGAAHN CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NCc1ccncc1)CC2 ZINC000019839754 210302172 /nfs/dbraw/zinc/30/21/72/210302172.db2.gz RWLVWCVJBWHCOU-IBGZPJMESA-N 0 3 395.551 3.207 50 0 GGAAHN CCN1CCN(CCc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)CC1 ZINC000019828471 210300883 /nfs/dbraw/zinc/30/08/83/210300883.db2.gz VWHCCINYUAODRO-UHFFFAOYSA-N 0 3 397.567 3.272 50 0 GGAAHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(F)c1 ZINC000019819043 210300328 /nfs/dbraw/zinc/30/03/28/210300328.db2.gz NWERSGLJVOISSZ-QGZVFWFLSA-N 0 3 382.391 3.264 50 0 GGAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019817499 210299732 /nfs/dbraw/zinc/29/97/32/210299732.db2.gz BORZIWMUNYFART-LPHOPBHVSA-N 0 3 390.443 3.132 50 0 GGAAHN OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CCN1CC1CCCCC1 ZINC000019800531 210298392 /nfs/dbraw/zinc/29/83/92/210298392.db2.gz FZYTYLHOODBRJN-OAQYLSRUSA-N 0 3 382.552 3.321 50 0 GGAAHN Cc1c(C)n(C[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000019800402 210298142 /nfs/dbraw/zinc/29/81/42/210298142.db2.gz IAPOTTMVOZVGLR-QFIPXVFZSA-N 0 3 377.532 3.437 50 0 GGAAHN COc1ccccc1CN1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000019888970 210304335 /nfs/dbraw/zinc/30/43/35/210304335.db2.gz KIIGDOAZWICKEN-UHFFFAOYSA-N 0 3 379.548 3.477 50 0 GGAAHN COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000019872254 210304123 /nfs/dbraw/zinc/30/41/23/210304123.db2.gz KKOFVAHMYILNAN-UHFFFAOYSA-N 0 3 390.911 3.349 50 0 GGAAHN CCn1nc(C)c(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1C ZINC000019782201 210295592 /nfs/dbraw/zinc/29/55/92/210295592.db2.gz RDBSBVOLNRIKGC-QFIPXVFZSA-N 0 3 381.568 3.306 50 0 GGAAHN Fc1ccc(N2CCN([C@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)cc1 ZINC000019758913 210293035 /nfs/dbraw/zinc/29/30/35/210293035.db2.gz CURVGSWNCGULHT-NRFANRHFSA-N 0 3 397.494 3.341 50 0 GGAAHN OCC[C@@H]1CN(Cc2cccn2-c2ccc(Cl)cn2)CCN1C1CCCC1 ZINC000019732649 210292010 /nfs/dbraw/zinc/29/20/10/210292010.db2.gz DUDYKAJLAPNPQZ-HXUWFJFHSA-N 0 3 388.943 3.337 50 0 GGAAHN CN(C[C@H]1CCCCN1C)C(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000019745994 210291565 /nfs/dbraw/zinc/29/15/65/210291565.db2.gz JMPNTTWEWDVZEY-CQSZACIVSA-N 0 3 379.407 3.088 50 0 GGAAHN COc1ccc(-c2n[nH]cc2CNCCc2nc(-c3cccnc3)no2)c(F)c1 ZINC000019743264 210291604 /nfs/dbraw/zinc/29/16/04/210291604.db2.gz WPJVOBGKMQDFRM-UHFFFAOYSA-N 0 3 394.410 3.002 50 0 GGAAHN CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)cc1 ZINC000019740506 210291270 /nfs/dbraw/zinc/29/12/70/210291270.db2.gz YCUDBWCXPLYGTP-QHCPKHFHSA-N 0 3 381.520 3.022 50 0 GGAAHN O=C(c1nc2ccccn2c1CN1CCCC1)N1CCN(C2CCCCC2)CC1 ZINC000019608043 210276057 /nfs/dbraw/zinc/27/60/57/210276057.db2.gz JNILZEKSKJKOKI-UHFFFAOYSA-N 0 3 395.551 3.021 50 0 GGAAHN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)CN(CC)CC)CC1 ZINC000011934179 221137640 /nfs/dbraw/zinc/13/76/40/221137640.db2.gz XUFIMCAWMOXPMJ-UHFFFAOYSA-N 0 3 394.943 3.396 50 0 GGAAHN Cc1cccc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1 ZINC000011935015 221139603 /nfs/dbraw/zinc/13/96/03/221139603.db2.gz QMIVORYJRPHTRD-SFHVURJKSA-N 0 3 375.476 3.426 50 0 GGAAHN CCN1CCC[C@@H]1CNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 ZINC000012717736 221221751 /nfs/dbraw/zinc/22/17/51/221221751.db2.gz HBGMRJSFHWVKAE-CQSZACIVSA-N 0 3 397.397 3.487 50 0 GGAAHN COc1ccc(CN2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)cc1 ZINC000426397670 533558865 /nfs/dbraw/zinc/55/88/65/533558865.db2.gz YLMZYBDGAFDJJK-IBGZPJMESA-N 0 3 383.540 3.189 50 0 GGAAHN Cc1ccc(C(N)=O)cc1-c1ccc(C(=O)NC(C)(C)CN2CCCC2)cc1 ZINC000426661919 533645618 /nfs/dbraw/zinc/64/56/18/533645618.db2.gz BKQUANXWUKDGGF-UHFFFAOYSA-N 0 3 379.504 3.365 50 0 GGAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@@H]1CCCN(c2ncccn2)C1 ZINC000039537158 132391654 /nfs/dbraw/zinc/39/16/54/132391654.db2.gz SSBXZXNBNXIHBM-GOSISDBHSA-N 0 3 380.471 3.177 50 0 GGAAHN OCC[C@@H]1CN(C2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1F ZINC000039358021 136153693 /nfs/dbraw/zinc/15/36/93/136153693.db2.gz YKZYITYJODBZAE-HSZRJFAPSA-N 0 3 397.538 3.363 50 0 GGAAHN Cc1cc(N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)nc2cc(F)ccc12 ZINC000072408281 136169512 /nfs/dbraw/zinc/16/95/12/136169512.db2.gz QLKNAPRHCIQVDN-QHCPKHFHSA-N 0 3 398.526 3.453 50 0 GGAAHN OCC[C@H]1CN(c2cccc(C(F)(F)F)n2)CCN1CCc1ccccc1 ZINC000072410410 136169733 /nfs/dbraw/zinc/16/97/33/136169733.db2.gz IGPKWRDETKPSOW-KRWDZBQOSA-N 0 3 379.426 3.216 50 0 GGAAHN O=c1oc2ccccc2n1CCN1CCCC12CCN(c1ccccn1)CC2 ZINC000072429542 136170151 /nfs/dbraw/zinc/17/01/51/136170151.db2.gz IZHFYLIPPLPLQS-UHFFFAOYSA-N 0 3 378.476 3.125 50 0 GGAAHN OCC[C@H]1CN(c2cc(C(F)(F)F)ccn2)CCN1CCc1ccccc1 ZINC000072429987 136170159 /nfs/dbraw/zinc/17/01/59/136170159.db2.gz HBIPXHPXLNAGNY-SFHVURJKSA-N 0 3 379.426 3.216 50 0 GGAAHN c1cc([C@@H]2CCCN(Cc3cc4ccccc4nc3N3CCOCC3)C2)n[nH]1 ZINC000077453094 136172200 /nfs/dbraw/zinc/17/22/00/136172200.db2.gz XYDAJKBBFIZGTK-GOSISDBHSA-N 0 3 377.492 3.174 50 0 GGAAHN Cc1cc(N2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)nc(N)n1 ZINC000077515856 136172319 /nfs/dbraw/zinc/17/23/19/136172319.db2.gz CJVVHZXQFPKHRG-UHFFFAOYSA-N 0 3 385.899 3.040 50 0 GGAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncccc1Cl)C2 ZINC000095356994 136178135 /nfs/dbraw/zinc/17/81/35/136178135.db2.gz WIDXCDWLDATDFJ-HLIPFELVSA-N 0 3 379.932 3.079 50 0 GGAAHN O=C(NCc1ccccn1)c1cccc(OC2CCN(c3ccncc3)CC2)c1 ZINC000096152740 136184496 /nfs/dbraw/zinc/18/44/96/136184496.db2.gz YROKMRAKECCDEI-UHFFFAOYSA-N 0 3 388.471 3.454 50 0 GGAAHN OCC[C@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)CCN1C1CCCC1 ZINC000106949870 136191695 /nfs/dbraw/zinc/19/16/95/136191695.db2.gz PWRJCXVBGYLVIG-FQEVSTJZSA-N 0 3 392.547 3.448 50 0 GGAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)n1 ZINC000067601746 222150466 /nfs/dbraw/zinc/15/04/66/222150466.db2.gz LTXNYAAMWVIHOY-UHFFFAOYSA-N 0 3 390.491 3.358 50 0 GGAAHN COC(=O)c1cccc(CN2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c1 ZINC000426740675 534263124 /nfs/dbraw/zinc/26/31/24/534263124.db2.gz YKMRRDLSWJKTNH-FQEVSTJZSA-N 0 3 378.472 3.112 50 0 GGAAHN O=C(NCCN1CCC(c2ccccc2)CC1)N[C@H](CO)c1ccc(F)cc1 ZINC000426563138 534324669 /nfs/dbraw/zinc/32/46/69/534324669.db2.gz CTSGTTDNUVBNFI-OAQYLSRUSA-N 0 3 385.483 3.038 50 0 GGAAHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000000819332 526303653 /nfs/dbraw/zinc/30/36/53/526303653.db2.gz XPHDUWXPWVKXMQ-UHFFFAOYSA-N 0 3 381.495 3.387 50 0 GGAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCc2ccccc2C1 ZINC000079497386 527054959 /nfs/dbraw/zinc/05/49/59/527054959.db2.gz DPKQUILDFYCIAL-UHFFFAOYSA-N 0 3 381.520 3.025 50 0 GGAAHN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000409414876 527085292 /nfs/dbraw/zinc/08/52/92/527085292.db2.gz QEFGUFBVHIFRAP-UHFFFAOYSA-N 0 3 394.475 3.179 50 0 GGAAHN CC(C)c1ccc(CN2CCC[C@@]3(CCN(c4cncc(C(N)=O)n4)C3)C2)cc1 ZINC000426526315 528092091 /nfs/dbraw/zinc/09/20/91/528092091.db2.gz WLUOTPZVDHINJF-HSZRJFAPSA-N 0 3 393.535 3.191 50 0 GGAAHN CC(C)N(C)C(=O)CN1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000426423681 528797222 /nfs/dbraw/zinc/79/72/22/528797222.db2.gz PKLMYWPLKVIYDK-OAQYLSRUSA-N 0 3 379.495 3.120 50 0 GGAAHN CCCN1CCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@H](O)C2)CC1 ZINC000072478368 534928521 /nfs/dbraw/zinc/92/85/21/534928521.db2.gz AXZHNJQYWBLZQQ-NRFANRHFSA-N 0 3 382.552 3.032 50 0 GGAAHN CN(C)Cc1ccc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)nc1 ZINC000095500995 536013414 /nfs/dbraw/zinc/01/34/14/536013414.db2.gz LIKHLKYRJJFLOX-IBGZPJMESA-N 0 3 376.508 3.167 50 0 GGAAHN CN(C)Cc1ccc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)nc1 ZINC000091254859 536013582 /nfs/dbraw/zinc/01/35/82/536013582.db2.gz ONOBTPHHNTZAQT-FQEVSTJZSA-N 0 3 376.508 3.167 50 0 GGAAHN CN1CCC(n2nc(-c3c4ccccn4nc3-c3ccccc3)ccc2=O)CC1 ZINC000001488077 560180683 /nfs/dbraw/zinc/18/06/83/560180683.db2.gz YHDRUTMZCJZJAL-UHFFFAOYSA-N 0 3 385.471 3.492 50 0 in-vitro GGAAHN CN(C)CCNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000005048278 564211306 /nfs/dbraw/zinc/21/13/06/564211306.db2.gz QFMZUUOHTRBZGR-UHFFFAOYSA-N 0 3 399.292 3.351 50 0 GGAAHN COc1ccc(Cl)cc1CNCCSc1nnnn1-c1ccccc1 ZINC000006767727 564227246 /nfs/dbraw/zinc/22/72/46/564227246.db2.gz VNFBAXAHZIKREG-UHFFFAOYSA-N 0 3 375.885 3.206 50 0 GGAAHN OCCOCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000010435687 564258383 /nfs/dbraw/zinc/25/83/83/564258383.db2.gz FUODUWCWYXVLCQ-UHFFFAOYSA-N 0 3 398.272 3.266 50 0 GGAAHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2ccc(Br)cc2)C1 ZINC000101039269 564914745 /nfs/dbraw/zinc/91/47/45/564914745.db2.gz OYHSTDNSJRIFFV-LSDHHAIUSA-N 0 3 384.318 3.048 50 0 GGAAHN O=C(NC1CCN(Cc2cccs2)CC1)c1ccc(SCCO)cc1 ZINC000670433986 566360680 /nfs/dbraw/zinc/36/06/80/566360680.db2.gz WPLWSLNTYWOXTM-UHFFFAOYSA-N 0 3 376.547 3.227 50 0 GGAAHN COC[C@H]1CCC[N@H+](Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[n-]3)cc2)C1 ZINC000048170776 570219848 /nfs/dbraw/zinc/21/98/48/570219848.db2.gz QGOQPSRGUMBSCE-SFHVURJKSA-N 0 3 390.487 3.357 50 0 GGAAHN COC[C@H]1CCC[N@@H+](Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[n-]3)cc2)C1 ZINC000048170776 570219851 /nfs/dbraw/zinc/21/98/51/570219851.db2.gz QGOQPSRGUMBSCE-SFHVURJKSA-N 0 3 390.487 3.357 50 0 GGAAHN Cc1nc2ccc(C(=O)NC[C@@H]3CCCN(Cc4ccco4)C3)cc2nc1C ZINC000097553199 570246236 /nfs/dbraw/zinc/24/62/36/570246236.db2.gz GVCGWJZUFCLSCW-KRWDZBQOSA-N 0 3 378.476 3.482 50 0 GGAAHN CC(C)(C)CN1CCN(Cc2cnn(-c3cccc(Cl)c3)c2)C[C@H]1CCO ZINC000104382499 570257813 /nfs/dbraw/zinc/25/78/13/570257813.db2.gz BOBNEEVXRCQNAM-HXUWFJFHSA-N 0 3 390.959 3.440 50 0 GGAAHN Cc1ccccc1CN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO ZINC000104556527 570259799 /nfs/dbraw/zinc/25/97/99/570259799.db2.gz ASOIDWPEIWRAAU-HSZRJFAPSA-N 0 3 390.531 3.454 50 0 GGAAHN Cc1ccccc1CN1CCN(Cc2cccc(-n3cccn3)c2)C[C@H]1CCO ZINC000104531133 570259980 /nfs/dbraw/zinc/25/99/80/570259980.db2.gz DCSOOGQEDLCAMH-XMMPIXPASA-N 0 3 390.531 3.250 50 0 GGAAHN COc1cccc(CN2CCN(Cc3cccc4ncccc34)C[C@H]2CCO)c1 ZINC000105902096 570260637 /nfs/dbraw/zinc/26/06/37/570260637.db2.gz IJOIIDVGCWBTMP-OAQYLSRUSA-N 0 3 391.515 3.312 50 0 GGAAHN COc1ccccc1CN(C(=O)NC1CCN(C[C@H]2CCCO2)CC1)C1CC1 ZINC000584901425 570270778 /nfs/dbraw/zinc/27/07/78/570270778.db2.gz QEXUUFYVRURIBV-HXUWFJFHSA-N 0 3 387.524 3.013 50 0 GGAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2nc(N)nc3c2CCCC3)cc1 ZINC000216071869 570295623 /nfs/dbraw/zinc/29/56/23/570295623.db2.gz WSXSUSYJVSECKQ-HXUWFJFHSA-N 0 3 393.535 3.367 50 0 GGAAHN CN1CCCNC(=O)C12CCN(Cc1ccc(SC3CCCCC3)o1)CC2 ZINC000216300773 570298690 /nfs/dbraw/zinc/29/86/90/570298690.db2.gz WYGZWNFFEFPWLB-UHFFFAOYSA-N 0 3 391.581 3.491 50 0 GGAAHN COc1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1Cn1cncn1 ZINC000012300947 570298993 /nfs/dbraw/zinc/29/89/93/570298993.db2.gz VLRCFPWRZFVFID-OAQYLSRUSA-N 0 3 377.492 3.412 50 0 GGAAHN CN1CCN(Cc2ccc(-c3cccc(Cl)c3)o2)C[C@@]12CCNC(=O)CC2 ZINC000107409304 570309533 /nfs/dbraw/zinc/30/95/33/570309533.db2.gz YDKDYXPOCNICFF-OAQYLSRUSA-N 0 3 387.911 3.386 50 0 GGAAHN c1[nH]c2ccccc2c1CCNC1(c2nnnn2Cc2cccnc2)CCCC1 ZINC000575443565 570314496 /nfs/dbraw/zinc/31/44/96/570314496.db2.gz CZBCFNVJJFFBRY-UHFFFAOYSA-N 0 3 387.491 3.199 50 0 GGAAHN OCC[C@H]1CN(Cc2ccc3cccc(F)c3n2)CCN1CCc1ccccc1 ZINC000022851257 570330845 /nfs/dbraw/zinc/33/08/45/570330845.db2.gz ZDYGXPUHPZKTTE-QFIPXVFZSA-N 0 3 393.506 3.485 50 0 GGAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3cccc(O)c3)C2)CC1 ZINC000022851612 570331301 /nfs/dbraw/zinc/33/13/01/570331301.db2.gz NMAXAULVVUDLLX-FQEVSTJZSA-N 0 3 381.520 3.187 50 0 GGAAHN COc1cc(Cl)cc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c1OC ZINC000022913014 570334050 /nfs/dbraw/zinc/33/40/50/570334050.db2.gz WSEGRYUGOUBQDG-KRWDZBQOSA-N 0 3 384.948 3.272 50 0 GGAAHN Cc1cc2oc(=O)cc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2cc1C ZINC000023127128 570345207 /nfs/dbraw/zinc/34/52/07/570345207.db2.gz HIMWYTDPPNFTCN-AEFFLSMTSA-N 0 3 376.456 3.191 50 0 biogenic GGAAHN Cc1cc(C)c2oc(=O)cc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000023127130 570345442 /nfs/dbraw/zinc/34/54/42/570345442.db2.gz UXEGYJSAUDZRFM-AEFFLSMTSA-N 0 3 376.456 3.191 50 0 biogenic GGAAHN CCCCN(C)C(=O)c1nc2ccccn2c1CN[C@H](C)Cc1cccnc1 ZINC000023338136 570354933 /nfs/dbraw/zinc/35/49/33/570354933.db2.gz CLMCPVOGKDMLQZ-QGZVFWFLSA-N 0 3 379.508 3.322 50 0 GGAAHN Cc1ccccc1CN1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000023373250 570357652 /nfs/dbraw/zinc/35/76/52/570357652.db2.gz DCSOOGQEDLCAMH-DEOSSOPVSA-N 0 3 390.531 3.250 50 0 GGAAHN CCOC(=O)N1CCN([C@@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000023374943 570358315 /nfs/dbraw/zinc/35/83/15/570358315.db2.gz KRDNKEQXJDRMJE-HQMUEHRGSA-N 0 3 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O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3ccc(OCCO)cc3)N3CCC[C@@]123 ZINC000012209840 1399033660 /nfs/dbraw/zinc/03/36/60/1399033660.db2.gz ULARXORLKBFCOU-HARLFGEKSA-N 0 3 378.472 3.000 50 0 GGAAHN Cn1cc(CN2CCC([C@H](O)c3nccn3C)CC2)c(-c2cccc(Cl)c2)n1 ZINC000012305963 1399037277 /nfs/dbraw/zinc/03/72/77/1399037277.db2.gz XLENOVQUSQBMCE-FQEVSTJZSA-N 0 3 399.926 3.420 50 0 GGAAHN COc1ccc(CN[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cc1 ZINC000012432561 1399041976 /nfs/dbraw/zinc/04/19/76/1399041976.db2.gz RVHVIXGZLRRSON-LJQANCHMSA-N 0 3 382.508 3.125 50 0 GGAAHN O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)c1[nH]nc2ccccc21 ZINC000012433302 1399042183 /nfs/dbraw/zinc/04/21/83/1399042183.db2.gz RYLVSQSVZNENJU-KRWDZBQOSA-N 0 3 390.487 3.140 50 0 GGAAHN O=C1N(CC2CCCCC2)CCC[C@]1(O)CNCc1cnc2ccccc2c1 ZINC000012437768 1399043237 /nfs/dbraw/zinc/04/32/37/1399043237.db2.gz YCLOYMPNDPEAFP-QHCPKHFHSA-N 0 3 381.520 3.258 50 0 GGAAHN COc1ccc(OCc2cc(C(=O)N(C)C[C@H]3CCCN3C)no2)c(Cl)c1 ZINC000012583237 1399048750 /nfs/dbraw/zinc/04/87/50/1399048750.db2.gz IUNWVVWYXAURBQ-CYBMUJFWSA-N 0 3 393.871 3.082 50 0 GGAAHN CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)OCCN(C)C)cc1 ZINC000012653477 1399051746 /nfs/dbraw/zinc/05/17/46/1399051746.db2.gz TZFWWIRHRRIGBZ-LTGZKZEYSA-N 0 3 396.487 3.350 50 0 biogenic GGAAHN CCN1CCC[C@H]1CNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 ZINC000012717738 1399055449 /nfs/dbraw/zinc/05/54/49/1399055449.db2.gz HBGMRJSFHWVKAE-AWEZNQCLSA-N 0 3 397.397 3.487 50 0 GGAAHN CCCCNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)CN(Cc2ccncc2)C1 ZINC000014741976 1399117812 /nfs/dbraw/zinc/11/78/12/1399117812.db2.gz XOHUYQXNGMPWKK-LEWJYISDSA-N 0 3 396.535 3.218 50 0 GGAAHN CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(C)c(C)c1)CC2)C(C)C ZINC000014991070 1399130215 /nfs/dbraw/zinc/13/02/15/1399130215.db2.gz GUQQNEQIRAKYRT-NRFANRHFSA-N 0 3 383.540 3.177 50 0 GGAAHN NCC(=O)N1CCC[C@@H]1c1ccc(C(=O)Nc2cccc3cnccc32)s1 ZINC000019607910 1399332852 /nfs/dbraw/zinc/33/28/52/1399332852.db2.gz JNCCYODFGWRRDS-MRXNPFEDSA-N 0 3 380.473 3.171 50 0 GGAAHN CSc1cccc(NC(=O)c2ccc([C@@H]3CCCN3C(=O)CN)s2)c1 ZINC000019721087 1399337178 /nfs/dbraw/zinc/33/71/78/1399337178.db2.gz UNRYOAROXKDVCX-AWEZNQCLSA-N 0 3 375.519 3.345 50 0 GGAAHN COCc1cc(=O)[n-]c(-c2ccccc2C[N@@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000019788794 1399338818 /nfs/dbraw/zinc/33/88/18/1399338818.db2.gz OMCICJKBZYGSAR-HXUWFJFHSA-N 0 3 376.460 3.315 50 0 GGAAHN COCc1cc(=O)[n-]c(-c2ccccc2C[N@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000019788794 1399338824 /nfs/dbraw/zinc/33/88/24/1399338824.db2.gz OMCICJKBZYGSAR-HXUWFJFHSA-N 0 3 376.460 3.315 50 0 GGAAHN O[C@@H](COc1ccccc1CN1CCc2ccccc2C1)CN1CCSCC1 ZINC000020598740 1399349733 /nfs/dbraw/zinc/34/97/33/1399349733.db2.gz VVSIIOHASYGDEN-JOCHJYFZSA-N 0 3 398.572 3.033 50 0 GGAAHN Cc1cc(-c2nnc(CCC(=O)N3CCN(C4CCCCC4)CC3)o2)c(C)o1 ZINC000020780614 1399353262 /nfs/dbraw/zinc/35/32/62/1399353262.db2.gz IPAKMZIFLNFQTQ-UHFFFAOYSA-N 0 3 386.496 3.356 50 0 GGAAHN OCC[C@@H]1CN(Cc2cccc3cnccc32)CCN1CCc1ccccc1 ZINC000020908841 1399356941 /nfs/dbraw/zinc/35/69/41/1399356941.db2.gz MHJXOBWEFUDAKV-HSZRJFAPSA-N 0 3 375.516 3.346 50 0 GGAAHN Cc1c(CN2CCN(c3cc(C)ccc3C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023281275 1399547086 /nfs/dbraw/zinc/54/70/86/1399547086.db2.gz BRHJFLOMKWLQOC-UHFFFAOYSA-N 0 3 390.531 3.423 50 0 GGAAHN CNC(=O)[C@@H]1C[C@H](NCc2cc(F)ccc2F)CN1Cc1ccc(Cl)cc1 ZINC000023358551 1399552881 /nfs/dbraw/zinc/55/28/81/1399552881.db2.gz QKHVEIDKQCAJLZ-HKUYNNGSSA-N 0 3 393.865 3.097 50 0 GGAAHN CCCCN1CCc2c(cnc(C)c2-c2noc(-c3ccc(C)[nH]c3=O)n2)C1 ZINC000023478481 1399563339 /nfs/dbraw/zinc/56/33/39/1399563339.db2.gz NNLUSWOSGJKWCT-UHFFFAOYSA-N 0 3 379.464 3.262 50 0 GGAAHN COc1ccccc1-c1n[nH]c2c1CN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC000048170817 1405083990 /nfs/dbraw/zinc/08/39/90/1405083990.db2.gz GBZGZBZDGGKXSH-UHFFFAOYSA-N 0 3 390.487 3.345 50 0 GGAAHN CCN(CC)CCn1cnc2c(c1=N)[C@@H](c1ccco1)c1ccc(O)cc1O2 ZINC000057129047 1407531085 /nfs/dbraw/zinc/53/10/85/1407531085.db2.gz AJRKBXAKPJZCGJ-GOSISDBHSA-N 0 3 380.448 3.289 50 0 GGAAHN CCN(Cc1ccccc1)CC1=NC(=O)N[C@@H](c2cccs2)C1C(=O)OC ZINC000057415879 1407610946 /nfs/dbraw/zinc/61/09/46/1407610946.db2.gz MNVSWDBQGNDCPV-SFHVURJKSA-N 0 3 385.489 3.051 50 0 GGAAHN Cc1ncc(CO)c(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1[O-] ZINC000065410105 1408665561 /nfs/dbraw/zinc/66/55/61/1408665561.db2.gz DRUPNKCCEDKPBT-RBBKRZOGSA-N 0 3 378.472 3.092 50 0 GGAAHN Cc1ncc(CO)c(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1[O-] ZINC000065410105 1408665565 /nfs/dbraw/zinc/66/55/65/1408665565.db2.gz DRUPNKCCEDKPBT-RBBKRZOGSA-N 0 3 378.472 3.092 50 0 GGAAHN CN(C)[C@@H](CNC(=O)/C=C/c1ccc2c(c1)OCO2)c1cn(C)c2ccccc12 ZINC000077171662 1409893793 /nfs/dbraw/zinc/89/37/93/1409893793.db2.gz PFEWYKODEMJTFZ-BQYDLMEBSA-N 0 3 391.471 3.339 50 0 GGAAHN Cc1cc(C)c2c(ncnc2NCc2cc3n(n2)CCCN(CC(C)C)C3)n1 ZINC000095365955 230978198 /nfs/dbraw/zinc/97/81/98/230978198.db2.gz GLDSHRPMIZLZPX-UHFFFAOYSA-N 0 3 379.512 3.312 50 0 GGAAHN O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000426395153 231213883 /nfs/dbraw/zinc/21/38/83/231213883.db2.gz IXDOFXJWDOVNQR-XZOQPEGZSA-N 0 3 375.516 3.427 50 0 GGAAHN CN(C)Cc1ccccc1CNC(=O)N1CCC[C@H](OCc2ccccn2)C1 ZINC000426398068 231215168 /nfs/dbraw/zinc/21/51/68/231215168.db2.gz PLIOVWJKUCLIFX-NRFANRHFSA-N 0 3 382.508 3.034 50 0 GGAAHN CN(C)CCOc1ccccc1-c1ccc(C(=O)N(C)Cc2cc[nH]n2)cc1 ZINC000426434476 231221270 /nfs/dbraw/zinc/22/12/70/231221270.db2.gz NYWMJYRDTIOULQ-UHFFFAOYSA-N 0 3 378.476 3.289 50 0 GGAAHN Cc1cc(C)n(CCCN(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000426443059 231221715 /nfs/dbraw/zinc/22/17/15/231221715.db2.gz UDPYQCSAUOKMRH-NRFANRHFSA-N 0 3 383.540 3.196 50 0 GGAAHN COc1cc2cc(C(=O)Nc3ccc(OCCN(C)C)cc3)n(C)c2cc1OC ZINC000409414323 231204231 /nfs/dbraw/zinc/20/42/31/231204231.db2.gz KLVBMDWGNYAGME-UHFFFAOYSA-N 0 3 397.475 3.388 50 0 GGAAHN O=C(NCCCN1CCC[C@H](O)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426370512 231208466 /nfs/dbraw/zinc/20/84/66/231208466.db2.gz MMQSHSWKKKZIJG-NRFANRHFSA-N 0 3 377.488 3.412 50 0 GGAAHN CN(C)C[C@]1(O)CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C1 ZINC000426379671 231211530 /nfs/dbraw/zinc/21/15/30/231211530.db2.gz KBJCHGXBFZPQMM-HXUWFJFHSA-N 0 3 376.859 3.285 50 0 GGAAHN CO[C@]12CCN(CCn3c4ccccc4oc3=O)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426387176 231212872 /nfs/dbraw/zinc/21/28/72/231212872.db2.gz XYPVQHMXWGWUJS-RBDMOPTHSA-N 0 3 386.492 3.033 50 0 GGAAHN Cc1cc(-c2ccc(C(=O)NC[C@H]3CNCCO3)cc2)nc2cc(F)ccc12 ZINC000426394452 231213056 /nfs/dbraw/zinc/21/30/56/231213056.db2.gz AVOYHCXEZFXYHI-GOSISDBHSA-N 0 3 379.435 3.068 50 0 GGAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000426508158 231231091 /nfs/dbraw/zinc/23/10/91/231231091.db2.gz XGDCMLLPQJULMT-QGZVFWFLSA-N 0 3 378.904 3.074 50 0 GGAAHN Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000426551956 231241582 /nfs/dbraw/zinc/24/15/82/231241582.db2.gz IYNUTPAIPYOTDB-FHHGHWCOSA-N 0 3 383.515 3.443 50 0 GGAAHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(-c3ccc4ncccc4c3)cc2)C1 ZINC000426465403 231223392 /nfs/dbraw/zinc/22/33/92/231223392.db2.gz CDDXTNIQPXHVKZ-QHCPKHFHSA-N 0 3 375.472 3.040 50 0 GGAAHN Cc1nnc(-c2ccccc2-c2cccc(C(=O)N(C)[C@H]3CCN(C)C3)c2)o1 ZINC000426470475 231223853 /nfs/dbraw/zinc/22/38/53/231223853.db2.gz BFADXCAESDXDJE-SFHVURJKSA-N 0 3 376.460 3.488 50 0 GGAAHN O=C(NCCN1CCC[C@@H](CO)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426715896 231255436 /nfs/dbraw/zinc/25/54/36/231255436.db2.gz KYNBMEFOVDKJHM-QGZVFWFLSA-N 0 3 377.488 3.269 50 0 GGAAHN CCc1ccc(CN2CCc3c(C(=O)N4CCN[C@@H](CC)C4)csc3C2)nc1 ZINC000426403529 529643096 /nfs/dbraw/zinc/64/30/96/529643096.db2.gz PLIGNULGQZMIQK-KRWDZBQOSA-N 0 3 398.576 3.088 50 0 GGAAHN CCc1ccc(CN2CCc3c(C(=O)N4CCN[C@H](CC)C4)csc3C2)nc1 ZINC000426403531 529643155 /nfs/dbraw/zinc/64/31/55/529643155.db2.gz PLIGNULGQZMIQK-QGZVFWFLSA-N 0 3 398.576 3.088 50 0 GGAAHN CCc1ccc(CN2CCc3c(C(=O)NC4CCN(C)CC4)csc3C2)nc1 ZINC000426435259 529643368 /nfs/dbraw/zinc/64/33/68/529643368.db2.gz CCJIHANUPOIIPO-UHFFFAOYSA-N 0 3 398.576 3.088 50 0 GGAAHN CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1ccc(-c2cnccc2N)cc1 ZINC000426511602 529972974 /nfs/dbraw/zinc/97/29/74/529972974.db2.gz HNWHGRMCNKRNMH-OAQYLSRUSA-N 0 3 386.499 3.290 50 0 GGAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)NCc1cn2ccsc2n1 ZINC000426387913 530001507 /nfs/dbraw/zinc/00/15/07/530001507.db2.gz ZBKJGIGUBSHJDK-UHFFFAOYSA-N 0 3 383.521 3.333 50 0 GGAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)NCc1ccc2nonc2c1 ZINC000426574696 530001607 /nfs/dbraw/zinc/00/16/07/530001607.db2.gz IZZKEFQCRDHUPM-UHFFFAOYSA-N 0 3 379.464 3.160 50 0 GGAAHN CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1cccc3nonc31)CC2 ZINC000426515545 530046282 /nfs/dbraw/zinc/04/62/82/530046282.db2.gz OWNUDTGJXLXDIB-GOSISDBHSA-N 0 3 376.460 3.203 50 0 GGAAHN CCCc1cc(CNC(=O)c2ccc(N3CCN(C(C)C)[C@H](CC)C3)nc2)on1 ZINC000039518765 535396819 /nfs/dbraw/zinc/39/68/19/535396819.db2.gz VVQKBNWKVJMFNK-LJQANCHMSA-N 0 3 399.539 3.261 50 0 GGAAHN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CNCc3ccccc3)cc21 ZINC000001854239 212259045 /nfs/dbraw/zinc/25/90/45/212259045.db2.gz XFOFRJHLQZXTAG-SFHVURJKSA-N 0 3 396.487 3.193 50 0 GGAAHN COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)c1 ZINC000010333696 212247911 /nfs/dbraw/zinc/24/79/11/212247911.db2.gz ZKRHKYUIQAXZCH-NRFANRHFSA-N 0 3 391.471 3.206 50 0 GGAAHN Cc1ccc(Cn2ncc3c2ncnc3N2CCN(C3CCCC3)CC2)cc1 ZINC000001473029 212247877 /nfs/dbraw/zinc/24/78/77/212247877.db2.gz YGHFZWJEXOQQJM-UHFFFAOYSA-N 0 3 376.508 3.248 50 0 GGAAHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1)c1cccc2ccccc21 ZINC000010333631 212247527 /nfs/dbraw/zinc/24/75/27/212247527.db2.gz QVGXBVDVIXDHHC-FQEVSTJZSA-N 0 3 379.435 3.337 50 0 GGAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccnc1)N(CCCN(C)C)C3=O ZINC000009328306 212181560 /nfs/dbraw/zinc/18/15/60/212181560.db2.gz SVKSVTMBLRAQAU-FQEVSTJZSA-N 0 3 391.471 3.302 50 0 GGAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000245329187 212134323 /nfs/dbraw/zinc/13/43/23/212134323.db2.gz YDZKQEDKBUHTJD-NJDAHSKKSA-N 0 3 385.423 3.441 50 0 GGAAHN Nc1ccccc1S[C@@H]1CC(=O)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000004284764 220701431 /nfs/dbraw/zinc/70/14/31/220701431.db2.gz DPACMSRHVADMBO-HXUWFJFHSA-N 0 3 395.528 3.153 50 0 GGAAHN CCN1CCC[C@@H]1CNC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000008764869 221057129 /nfs/dbraw/zinc/05/71/29/221057129.db2.gz TXNKKGHFIPXTLT-OAHLLOKOSA-N 0 3 382.460 3.299 50 0 biogenic GGAAHN CCOc1c(Br)cc(CN[C@H](CC)CO)cc1Br ZINC000010435759 221102986 /nfs/dbraw/zinc/10/29/86/221102986.db2.gz PRAVLNNQEIHYPV-SNVBAGLBSA-N 0 3 381.108 3.471 50 0 GGAAHN COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)c(Cl)c1Cl ZINC000010540748 221104848 /nfs/dbraw/zinc/10/48/48/221104848.db2.gz WIDBLHAZNGJZOZ-UHFFFAOYSA-N 0 3 395.352 3.402 50 0 GGAAHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000010544033 221105374 /nfs/dbraw/zinc/10/53/74/221105374.db2.gz RHXPYLXXCXAYRG-KBPBESRZSA-N 0 3 389.359 3.095 50 0 GGAAHN COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccccc4Cl)C3=O)c2c1 ZINC000009669340 221089273 /nfs/dbraw/zinc/08/92/73/221089273.db2.gz 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ZINC000011819557 221128967 /nfs/dbraw/zinc/12/89/67/221128967.db2.gz MJIXFODSTLSATL-IBGZPJMESA-N 0 3 382.533 3.104 50 0 GGAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cn1ccnc1C ZINC000011819294 221129361 /nfs/dbraw/zinc/12/93/61/221129361.db2.gz TVMPRZBNEKVOCN-NRFANRHFSA-N 0 3 398.551 3.003 50 0 GGAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)CCn4ccc(C)n4)C3)C2)c1 ZINC000011839875 221130697 /nfs/dbraw/zinc/13/06/97/221130697.db2.gz SMJSOEZFRJCKMT-QHCPKHFHSA-N 0 3 396.535 3.105 50 0 GGAAHN CCc1ncc(CN2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)cn1 ZINC000011840303 221130764 /nfs/dbraw/zinc/13/07/64/221130764.db2.gz DWRJFZSUCCGZPE-QHCPKHFHSA-N 0 3 378.520 3.362 50 0 GGAAHN COc1ccc(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cc1OC ZINC000011838952 221130828 /nfs/dbraw/zinc/13/08/28/221130828.db2.gz LOYJGYOKAXSGPQ-FQEVSTJZSA-N 0 3 382.504 3.483 50 0 GGAAHN O=C(CN1CCCCC1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000011843000 221131697 /nfs/dbraw/zinc/13/16/97/221131697.db2.gz HOQFAFFWTRZMMQ-JOCHJYFZSA-N 0 3 391.506 3.265 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CCN1CCN(C(=O)CCC2CCN(C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000012026621 221143308 /nfs/dbraw/zinc/14/33/08/221143308.db2.gz QRWDNTRDTUPMOD-ONEGZZNKSA-N 0 3 387.543 3.495 50 0 GGAAHN COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3ccccc3OC)C2)cc1 ZINC000012022308 221143458 /nfs/dbraw/zinc/14/34/58/221143458.db2.gz KZZLWLRZDFNVNN-IBGZPJMESA-N 0 3 382.504 3.275 50 0 GGAAHN CN(C)CCSc1nnc(CNC(=O)c2ccc(-c3ccccc3)cc2)n1C ZINC000012038297 221145427 /nfs/dbraw/zinc/14/54/27/221145427.db2.gz JHDMMUVNXKQGIR-UHFFFAOYSA-N 0 3 395.532 3.066 50 0 GGAAHN COCc1ccc(CN2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)o1 ZINC000012072462 221146505 /nfs/dbraw/zinc/14/65/05/221146505.db2.gz ZLLHPRMHLFUITQ-QHCPKHFHSA-N 0 3 398.503 3.449 50 0 GGAAHN CN(C(=O)CC[C@H]1CCCN(Cc2ccccc2F)C1)C1CCN(C)CC1 ZINC000012093113 221150230 /nfs/dbraw/zinc/15/02/30/221150230.db2.gz GUYVKPNZTQZVRI-GOSISDBHSA-N 0 3 375.532 3.371 50 0 GGAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)[C@@H]1CCCCN1C ZINC000012093082 221150543 /nfs/dbraw/zinc/15/05/43/221150543.db2.gz 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ZINC000011909118 221136569 /nfs/dbraw/zinc/13/65/69/221136569.db2.gz AWDMLZXOMIWQMV-LJQANCHMSA-N 0 3 397.523 3.058 50 0 GGAAHN CC(C)NC(=O)c1cn([C@H]2CCCN(Cc3cc4ccccc4s3)C2)nn1 ZINC000012280042 221174948 /nfs/dbraw/zinc/17/49/48/221174948.db2.gz PWDFHYZQJGEOAR-INIZCTEOSA-N 0 3 383.521 3.468 50 0 GGAAHN CCn1ccnc1CN1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2 ZINC000012300031 221175863 /nfs/dbraw/zinc/17/58/63/221175863.db2.gz TYNOJWZDJUOUNI-QHCPKHFHSA-N 0 3 398.551 3.408 50 0 GGAAHN CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2cccnc2)cc1 ZINC000012297318 221176074 /nfs/dbraw/zinc/17/60/74/221176074.db2.gz XDEBFMTYUAKLPR-QHCPKHFHSA-N 0 3 391.515 3.243 50 0 GGAAHN CN(CCc1ccccc1)C1(C(=O)NCc2ccncc2)Cc2ccccc2C1 ZINC000012299257 221176475 /nfs/dbraw/zinc/17/64/75/221176475.db2.gz REBGVYADXNPCCF-UHFFFAOYSA-N 0 3 385.511 3.410 50 0 GGAAHN COc1ccc(N[C@H]2CCCN(Cc3cccc(OCCO)c3)C2)cc1OC ZINC000012299544 221176695 /nfs/dbraw/zinc/17/66/95/221176695.db2.gz FPINOUVWFQSKHB-IBGZPJMESA-N 0 3 386.492 3.151 50 0 GGAAHN Cc1ncc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)[nH]1 ZINC000012305096 221177275 /nfs/dbraw/zinc/17/72/75/221177275.db2.gz YKYDIXYGKJZHHV-UHFFFAOYSA-N 0 3 382.443 3.143 50 0 GGAAHN COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1 ZINC000012302435 221177301 /nfs/dbraw/zinc/17/73/01/221177301.db2.gz WRNMSDTTXCZLFI-INIZCTEOSA-N 0 3 382.508 3.356 50 0 GGAAHN Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccncc3)C2)cc1 ZINC000012305028 221177369 /nfs/dbraw/zinc/17/73/69/221177369.db2.gz RSMCHOBBAXBHDN-LJQANCHMSA-N 0 3 375.476 3.426 50 0 GGAAHN COc1ccc(-c2n[nH]cc2CN2CCC[C@H](CCC(=O)NC3CC3)C2)cc1 ZINC000012302437 221178313 /nfs/dbraw/zinc/17/83/13/221178313.db2.gz WRNMSDTTXCZLFI-MRXNPFEDSA-N 0 3 382.508 3.356 50 0 GGAAHN CCN(CC)CC(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000012306131 221179044 /nfs/dbraw/zinc/17/90/44/221179044.db2.gz GHOOYRNXWKCIBY-UHFFFAOYSA-N 0 3 380.414 3.322 50 0 GGAAHN Cc1cc(NCc2cccnc2N2CCN(c3ccccc3C)CC2)nc(N)n1 ZINC000012306825 221179852 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ZINC000012575133 221208679 /nfs/dbraw/zinc/20/86/79/221208679.db2.gz KUPCPVUFVADQLU-KRWDZBQOSA-N 0 3 388.475 3.318 50 0 GGAAHN CN1CCC(CN(CCc2ccccc2)C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012581091 221209915 /nfs/dbraw/zinc/20/99/15/221209915.db2.gz XSKGTGXNGUTXME-UHFFFAOYSA-N 0 3 394.515 3.485 50 0 GGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cnc(C)cn1 ZINC000012385831 221187598 /nfs/dbraw/zinc/18/75/98/221187598.db2.gz YALTVQUNKQUKCW-HXUWFJFHSA-N 0 3 396.535 3.210 50 0 GGAAHN CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)cc1 ZINC000012387546 221188062 /nfs/dbraw/zinc/18/80/62/221188062.db2.gz MIENLOUKRRFJEJ-XMMPIXPASA-N 0 3 397.563 3.247 50 0 GGAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)cc1OC ZINC000012596729 221212880 /nfs/dbraw/zinc/21/28/80/221212880.db2.gz PIIJJABQOUCRKI-SINXNMPMSA-N 0 3 398.503 3.476 50 0 GGAAHN O=C1C[C@@H](NCc2cc(F)ccc2-n2cccn2)CN1Cc1cccc(F)c1 ZINC000012595842 221213008 /nfs/dbraw/zinc/21/30/08/221213008.db2.gz WBAKFLDNGUJGFN-LJQANCHMSA-N 0 3 382.414 3.041 50 0 GGAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H](C(N)=O)C2)c1 ZINC000012593819 221213641 /nfs/dbraw/zinc/21/36/41/221213641.db2.gz QXFYKQMELSTRRB-SFHVURJKSA-N 0 3 390.487 3.245 50 0 GGAAHN CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)CC1 ZINC000012714828 221220456 /nfs/dbraw/zinc/22/04/56/221220456.db2.gz WBQCJMKUSLQEEF-OAHLLOKOSA-N 0 3 392.471 3.350 50 0 GGAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cccnc1 ZINC000012592538 221211450 /nfs/dbraw/zinc/21/14/50/221211450.db2.gz VCGOUFZUTFNKEH-IBGZPJMESA-N 0 3 398.526 3.137 50 0 GGAAHN CN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)C[C@@H](O)c1ccccc1 ZINC000012587639 221211680 /nfs/dbraw/zinc/21/16/80/221211680.db2.gz VVRFJWDBDBBQAN-LJQANCHMSA-N 0 3 379.460 3.024 50 0 GGAAHN CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CN4CCOC4=O)C3)C2)cc1 ZINC000012593363 221211695 /nfs/dbraw/zinc/21/16/95/221211695.db2.gz BUXZSNWWGPEPIE-QHCPKHFHSA-N 0 3 399.535 3.077 50 0 GGAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cc(C)nc(C)n2)C1 ZINC000012586938 221211858 /nfs/dbraw/zinc/21/18/58/221211858.db2.gz KMDNKJWTPPHQGR-IBGZPJMESA-N 0 3 396.535 3.129 50 0 GGAAHN O=S(=O)(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc2cccnc21 ZINC000012750860 221224716 /nfs/dbraw/zinc/22/47/16/221224716.db2.gz TTXJABAHISIDOO-IBGZPJMESA-N 0 3 395.528 3.425 50 0 GGAAHN CCN1CCC(NC(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000013326021 221264908 /nfs/dbraw/zinc/26/49/08/221264908.db2.gz FAAAISOHIVZSTM-UHFFFAOYSA-N 0 3 375.694 3.082 50 0 GGAAHN O=C(c1cc2nccc(-c3ccc4ccccc4c3)n2n1)N1CCN2CCC[C@@H]2C1 ZINC000013644353 221277663 /nfs/dbraw/zinc/27/76/63/221277663.db2.gz ZNNBPFITFINRKC-HXUWFJFHSA-N 0 3 397.482 3.470 50 0 GGAAHN CCOc1ccc(NC(=O)CC2N=C(N3CCc4ccccc43)NC2=O)cc1 ZINC000013733132 221285864 /nfs/dbraw/zinc/28/58/64/221285864.db2.gz IKTAOGCTPRJHTH-QGZVFWFLSA-N 0 3 378.432 3.171 50 0 GGAAHN CCc1ccccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccc(OC)cc23)C1=O ZINC000013844943 221291587 /nfs/dbraw/zinc/29/15/87/221291587.db2.gz CCUVUASJBSCGCY-FQEVSTJZSA-N 0 3 391.471 3.203 50 0 GGAAHN CCOC(=O)N1CCC(N[C@@H]2C(C)=C(C)C(=O)N2Cc2ccc(F)cc2)CC1 ZINC000013944088 221293095 /nfs/dbraw/zinc/29/30/95/221293095.db2.gz INKXNNDCBMGPFZ-IBGZPJMESA-N 0 3 389.471 3.041 50 0 GGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1ccccc1F)CC2 ZINC000014541879 221312048 /nfs/dbraw/zinc/31/20/48/221312048.db2.gz JHCBETLAKZTRTB-MRXNPFEDSA-N 0 3 396.466 3.072 50 0 GGAAHN CCN(CCN1CCCC1)C(=O)c1cc(COc2ccc(C(C)=O)cc2)on1 ZINC000014965044 221321642 /nfs/dbraw/zinc/32/16/42/221321642.db2.gz XAJHJPJEQTXVKC-UHFFFAOYSA-N 0 3 385.464 3.014 50 0 GGAAHN CN1CCC(CC(=O)N[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000014967190 221322235 /nfs/dbraw/zinc/32/22/35/221322235.db2.gz KLMDLKJNVFMJCC-LJQANCHMSA-N 0 3 388.462 3.376 50 0 GGAAHN COc1ncc(CN2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000014968616 221322502 /nfs/dbraw/zinc/32/25/02/221322502.db2.gz QBQLIAKPTHYZKO-OAQYLSRUSA-N 0 3 388.462 3.252 50 0 GGAAHN CN(C)[C@H]1CCN(C(=O)c2coc(COc3cccc(C(F)(F)F)c3)n2)C1 ZINC000014975805 221323527 /nfs/dbraw/zinc/32/35/27/221323527.db2.gz GMKBZRKOSINYOT-ZDUSSCGKSA-N 0 3 383.370 3.049 50 0 GGAAHN COC[C@@H](C)N1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000014973913 221323136 /nfs/dbraw/zinc/32/31/36/221323136.db2.gz CWQKUYMZUTUXQQ-CQSZACIVSA-N 0 3 376.888 3.461 50 0 GGAAHN Cc1nn(C)c(C)c1CCC(=O)N(CCc1ccccc1)CC1CCN(C)CC1 ZINC000014976704 221323255 /nfs/dbraw/zinc/32/32/55/221323255.db2.gz WHOZKCLGPGYZLO-UHFFFAOYSA-N 0 3 396.579 3.383 50 0 GGAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1ccc(C)o1)C2 ZINC000014542049 221312581 /nfs/dbraw/zinc/31/25/81/221312581.db2.gz WAEZWGLILFVCHT-KRWDZBQOSA-N 0 3 384.524 3.468 50 0 GGAAHN CCn1nc(C(=O)NC)c2c1CC[C@H](NCc1nc(-c3ccccc3)cs1)C2 ZINC000014747790 221315274 /nfs/dbraw/zinc/31/52/74/221315274.db2.gz PNLMGZXVEUUBAX-HNNXBMFYSA-N 0 3 395.532 3.033 50 0 GGAAHN COc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3C)cc1 ZINC000014746597 221315874 /nfs/dbraw/zinc/31/58/74/221315874.db2.gz PCFHZWQKUUEVBB-UHFFFAOYSA-N 0 3 393.487 3.124 50 0 GGAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1cccc(F)c1)CC2 ZINC000014753153 221316264 /nfs/dbraw/zinc/31/62/64/221316264.db2.gz ZSPLYLVCKMSKAF-KRWDZBQOSA-N 0 3 396.466 3.072 50 0 GGAAHN Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N1CCC(c3ccccc3)CC1)C2 ZINC000014746588 221316270 /nfs/dbraw/zinc/31/62/70/221316270.db2.gz ZQEURTOIGNNRGM-FQEVSTJZSA-N 0 3 392.547 3.393 50 0 GGAAHN CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccccc1OC)C2 ZINC000014746891 221316394 /nfs/dbraw/zinc/31/63/94/221316394.db2.gz YOHQNNOUEJOUAG-SFHVURJKSA-N 0 3 396.535 3.185 50 0 GGAAHN CC1CCN([C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)CC1 ZINC000014749627 221316428 /nfs/dbraw/zinc/31/64/28/221316428.db2.gz GEUKUGDMAJOWNT-LJQANCHMSA-N 0 3 380.536 3.222 50 0 GGAAHN Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCC(c3ccccc3)CC1)C2 ZINC000014746589 221316544 /nfs/dbraw/zinc/31/65/44/221316544.db2.gz ZQEURTOIGNNRGM-HXUWFJFHSA-N 0 3 392.547 3.393 50 0 GGAAHN CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cccc(OC)c3)CC2)C1=O ZINC000014755923 221318213 /nfs/dbraw/zinc/31/82/13/221318213.db2.gz JAMXMZWJMMHXEL-UHFFFAOYSA-N 0 3 387.524 3.360 50 0 GGAAHN CCOc1ccc(CNCCn2cc(C(=O)Nc3ccccc3C)nn2)cc1 ZINC000014953407 221320627 /nfs/dbraw/zinc/32/06/27/221320627.db2.gz FKUOCFIYAVXHAO-UHFFFAOYSA-N 0 3 379.464 3.027 50 0 GGAAHN CCOC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000015319065 221334684 /nfs/dbraw/zinc/33/46/84/221334684.db2.gz UISKASFIXQBFMN-WHSLLNHNSA-N 0 3 399.535 3.452 50 0 GGAAHN Cc1c(CN[C@@H]2CCc3c(sc4ncn(CCC(C)C)c(=O)c34)C2)cnn1C ZINC000014996105 221324847 /nfs/dbraw/zinc/32/48/47/221324847.db2.gz FIYBKWZOGOAAGS-MRXNPFEDSA-N 0 3 399.564 3.193 50 0 GGAAHN Cc1cc(CNC(=O)COc2ccc(-c3ccccc3)cc2CN(C)C)on1 ZINC000015003580 221326353 /nfs/dbraw/zinc/32/63/53/221326353.db2.gz XZCMXOOFWGINJI-UHFFFAOYSA-N 0 3 379.460 3.407 50 0 GGAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCc2ccccn2)C1 ZINC000015066488 221328903 /nfs/dbraw/zinc/32/89/03/221328903.db2.gz OEYPIELGGNJCTN-HXUWFJFHSA-N 0 3 395.547 3.436 50 0 GGAAHN Cc1ccc(-n2cc(CNC[C@@H]3COCCO3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015065711 221329123 /nfs/dbraw/zinc/32/91/23/221329123.db2.gz IZHNKFASLLPPIT-OAQYLSRUSA-N 0 3 381.451 3.492 50 0 GGAAHN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCC[C@H](C(N)=O)C2)o1 ZINC000015068293 221329942 /nfs/dbraw/zinc/32/99/42/221329942.db2.gz BNCCUJBHNDMYIP-HNNXBMFYSA-N 0 3 382.439 3.277 50 0 GGAAHN Cc1cccn2c(CN[C@@H](C)Cc3cccnc3)c(C(=O)N3CCCCC3)nc12 ZINC000015072592 221330513 /nfs/dbraw/zinc/33/05/13/221330513.db2.gz QRXSSLYWWXUFSE-SFHVURJKSA-N 0 3 391.519 3.385 50 0 GGAAHN COc1ccccc1CNCc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000015073691 221331311 /nfs/dbraw/zinc/33/13/11/221331311.db2.gz JCLZMUGYXKOZBL-NRFANRHFSA-N 0 3 384.520 3.211 50 0 GGAAHN O=C(CCc1cn2ccccc2n1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000015074506 221331370 /nfs/dbraw/zinc/33/13/70/221331370.db2.gz HIJOCHLWBVIFJW-FQEVSTJZSA-N 0 3 376.504 3.090 50 0 GGAAHN O=C(CCc1cn2ccccc2n1)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000015074505 221331437 /nfs/dbraw/zinc/33/14/37/221331437.db2.gz HIJOCHLWBVIFJW-HXUWFJFHSA-N 0 3 376.504 3.090 50 0 GGAAHN O=C(c1ccoc1)N1CCC2(CC1)c1ccccc1[C@@H](N1CC=CCC1)[C@@H]2O ZINC000019149020 221399413 /nfs/dbraw/zinc/39/94/13/221399413.db2.gz XYLSIACJXARZFX-RTWAWAEBSA-N 0 3 378.472 3.131 50 0 GGAAHN CCn1cc(-c2cc(C(=O)N(C)C[C@H]3CCCN3C)c3ccc(F)cc3n2)cn1 ZINC000019113335 221395811 /nfs/dbraw/zinc/39/58/11/221395811.db2.gz ODQRXUWVIGWCIZ-QGZVFWFLSA-N 0 3 395.482 3.424 50 0 GGAAHN CC(=O)Nc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1 ZINC000019113993 221396394 /nfs/dbraw/zinc/39/63/94/221396394.db2.gz FPZWSXFYOJJPRW-UHFFFAOYSA-N 0 3 381.480 3.027 50 0 GGAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019817500 221455604 /nfs/dbraw/zinc/45/56/04/221455604.db2.gz BORZIWMUNYFART-VQIMIIECSA-N 0 3 390.443 3.132 50 0 GGAAHN Cn1c2ccccc2nc1CN1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020776099 221512816 /nfs/dbraw/zinc/51/28/16/221512816.db2.gz MHAMWIPNYAOJKI-NRFANRHFSA-N 0 3 389.547 3.360 50 0 GGAAHN COCC1CCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1 ZINC000072428976 136170154 /nfs/dbraw/zinc/17/01/54/136170154.db2.gz YCPWLTMEYJKUAS-OAQYLSRUSA-N 0 3 383.536 3.363 50 0 GGAAHN Cc1ccc2nc(N3CCC[C@@H](O)C3)c(CN3CCN(C(C)C)CC3)cc2c1 ZINC000072480865 136171310 /nfs/dbraw/zinc/17/13/10/136171310.db2.gz RFHBMPWBRQYFPG-OAQYLSRUSA-N 0 3 382.552 3.030 50 0 GGAAHN c1cc([C@H]2CCCN(Cc3cc4ccccc4nc3N3CCOCC3)C2)n[nH]1 ZINC000077453090 136172228 /nfs/dbraw/zinc/17/22/28/136172228.db2.gz XYDAJKBBFIZGTK-SFHVURJKSA-N 0 3 377.492 3.174 50 0 GGAAHN Cc1cccc(N2CCN(CCC(=O)NCCOc3ccc(C)c(C)c3)CC2)c1 ZINC000095390328 136178905 /nfs/dbraw/zinc/17/89/05/136178905.db2.gz KVLJERRHRCVWTB-UHFFFAOYSA-N 0 3 395.547 3.319 50 0 GGAAHN c1cn(Cc2cccnc2)c([C@@H]2CCCN(c3cc(N4CCCC4)cnn3)C2)n1 ZINC000095504246 136180100 /nfs/dbraw/zinc/18/01/00/136180100.db2.gz ZBLIWSANNIBFFJ-LJQANCHMSA-N 0 3 389.507 3.101 50 0 GGAAHN Cc1cc(N2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)nc(N)n1 ZINC000095511750 136180733 /nfs/dbraw/zinc/18/07/33/136180733.db2.gz TUHOLLHSQYYEQS-OAHLLOKOSA-N 0 3 399.926 3.085 50 0 GGAAHN Cc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)nc(N)n1 ZINC000096137411 136184061 /nfs/dbraw/zinc/18/40/61/136184061.db2.gz JPBTZKZWCRQCEK-LJQANCHMSA-N 0 3 391.519 3.132 50 0 GGAAHN Cc1cc(N2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)c2ccccc2n1 ZINC000096139504 136184273 /nfs/dbraw/zinc/18/42/73/136184273.db2.gz BTQNBIVBHQIJRD-IBGZPJMESA-N 0 3 380.536 3.314 50 0 GGAAHN OCC[C@H]1CN(C2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1F ZINC000105901185 136191481 /nfs/dbraw/zinc/19/14/81/136191481.db2.gz YKZYITYJODBZAE-QHCPKHFHSA-N 0 3 397.538 3.363 50 0 GGAAHN CCCOc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2)cc1Cl ZINC000215583490 136203025 /nfs/dbraw/zinc/20/30/25/136203025.db2.gz TUVQCFUBZHNDLA-UHFFFAOYSA-N 0 3 375.904 3.132 50 0 GGAAHN CN1CCCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427860 222032410 /nfs/dbraw/zinc/03/24/10/222032410.db2.gz WGIUWJCLSHHNSE-UHFFFAOYSA-N 0 3 378.476 3.453 50 0 GGAAHN CCOC(=O)C1=C(CN2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000054979048 222014670 /nfs/dbraw/zinc/01/46/70/222014670.db2.gz UISKASFIXQBFMN-CKJXQJPGSA-N 0 3 399.535 3.452 50 0 GGAAHN COC(=O)C1=C(CNCc2ccc(F)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000054979073 222014701 /nfs/dbraw/zinc/01/47/01/222014701.db2.gz QTPKZFAINQPMSG-HXUWFJFHSA-N 0 3 397.450 3.013 50 0 GGAAHN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000054979066 222014920 /nfs/dbraw/zinc/01/49/20/222014920.db2.gz TYZIQZHTJJSKCH-FQEVSTJZSA-N 0 3 385.508 3.351 50 0 GGAAHN COC(=O)C1=C(CNCc2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000054979063 222014940 /nfs/dbraw/zinc/01/49/40/222014940.db2.gz XSBVWGNGFDSQJB-FQEVSTJZSA-N 0 3 397.450 3.013 50 0 GGAAHN CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1c(F)cccc1F)CCO2 ZINC000055107614 222015562 /nfs/dbraw/zinc/01/55/62/222015562.db2.gz UJXUOSOBRQAPIU-OAQYLSRUSA-N 0 3 376.447 3.129 50 0 GGAAHN COCCN1CC[C@@H](CNC(=O)c2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000055228123 222017682 /nfs/dbraw/zinc/01/76/82/222017682.db2.gz AEWHZRREPXTPTI-KRWDZBQOSA-N 0 3 384.476 3.186 50 0 GGAAHN CN(Cc1ccc(Sc2ncccn2)o1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000055402423 222021973 /nfs/dbraw/zinc/02/19/73/222021973.db2.gz QXJKBFJJDOPQJK-HNNXBMFYSA-N 0 3 386.521 3.444 50 0 GGAAHN CCn1cc(-c2cc(C(=O)N3CCCN(C)C[C@H]3C)c3ccccc3n2)cn1 ZINC000063832377 222067216 /nfs/dbraw/zinc/06/72/16/222067216.db2.gz CIFCFQPTSPPKCS-MRXNPFEDSA-N 0 3 377.492 3.284 50 0 GGAAHN Cc1cccc2c(C(=O)N(C)C3CCN(C)CC3)cc(-c3cnn(C)c3)nc12 ZINC000063883891 222068602 /nfs/dbraw/zinc/06/86/02/222068602.db2.gz QKRFRSZUFXNYKZ-UHFFFAOYSA-N 0 3 377.492 3.110 50 0 GGAAHN Cc1ccc2c(C(=O)N3CCN4CCC[C@H]4C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063871623 222069236 /nfs/dbraw/zinc/06/92/36/222069236.db2.gz PVBAWSFRLZKDEZ-SFHVURJKSA-N 0 3 389.503 3.172 50 0 GGAAHN Cc1ccc2c(C(=O)N(C)[C@H]3CCN(C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063882738 222069647 /nfs/dbraw/zinc/06/96/47/222069647.db2.gz VUJXSXXLFMQGOA-KRWDZBQOSA-N 0 3 377.492 3.028 50 0 GGAAHN Cc1ccc2c(C(=O)N3CC[C@H](N(C)C)C3)cc(-c3cnc(C)nc3)nc2c1C ZINC000063856396 222069847 /nfs/dbraw/zinc/06/98/47/222069847.db2.gz DJRGOESOPFEURF-SFHVURJKSA-N 0 3 389.503 3.393 50 0 GGAAHN Cc1nc(NCCNC(=O)c2ccc3ccccc3c2)cc(N2CCCC2)n1 ZINC000065362915 222124494 /nfs/dbraw/zinc/12/44/94/222124494.db2.gz HDXOLCLBTLKQNR-UHFFFAOYSA-N 0 3 375.476 3.380 50 0 GGAAHN Cc1ccc(C(=O)N2CCC(NCC(=O)Nc3cc(C)ccc3F)CC2)cc1 ZINC000065374297 222125993 /nfs/dbraw/zinc/12/59/93/222125993.db2.gz JZKCQNOAYGAZPA-UHFFFAOYSA-N 0 3 383.467 3.275 50 0 GGAAHN CSc1ccccc1NC(=O)CCC(=O)N(C)CCN1CCCC[C@H]1C ZINC000065395998 222126108 /nfs/dbraw/zinc/12/61/08/222126108.db2.gz NZUDIHIPLRESOZ-MRXNPFEDSA-N 0 3 377.554 3.460 50 0 GGAAHN CSc1ccccc1NC(=O)CCC(=O)N(C)CCN1CCCC[C@@H]1C ZINC000065395999 222127053 /nfs/dbraw/zinc/12/70/53/222127053.db2.gz NZUDIHIPLRESOZ-INIZCTEOSA-N 0 3 377.554 3.460 50 0 GGAAHN Cc1ncc(CO)c(C[N@@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1[O-] ZINC000065419437 222128398 /nfs/dbraw/zinc/12/83/98/222128398.db2.gz ZQJCJBDNBCGVRJ-SFHVURJKSA-N 0 3 391.471 3.345 50 0 GGAAHN Cc1ncc(CO)c(C[N@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1[O-] ZINC000065419437 222128400 /nfs/dbraw/zinc/12/84/00/222128400.db2.gz ZQJCJBDNBCGVRJ-SFHVURJKSA-N 0 3 391.471 3.345 50 0 GGAAHN O=C(NCc1nc(-c2cccs2)no1)C1CCN(Cc2ccccc2)CC1 ZINC000065912616 222135391 /nfs/dbraw/zinc/13/53/91/222135391.db2.gz KXQYCYLVNUOYQJ-UHFFFAOYSA-N 0 3 382.489 3.327 50 0 GGAAHN COc1ccc(CSc2nc3ccccc3c(=O)n2CCN(C)C)cc1F ZINC000067258714 222141912 /nfs/dbraw/zinc/14/19/12/222141912.db2.gz YQGXVOFVGRFFOL-UHFFFAOYSA-N 0 3 387.480 3.398 50 0 GGAAHN CCc1ccc(Nc2nn[nH]c2C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000067284179 222144434 /nfs/dbraw/zinc/14/44/34/222144434.db2.gz CFQAQXLBQHOGOW-UHFFFAOYSA-N 0 3 382.512 3.201 50 0 GGAAHN O=C1N(CC2CCCCC2)CCC[C@@]1(O)CNCc1cc2cc(F)ccc2[nH]1 ZINC000067458868 222146480 /nfs/dbraw/zinc/14/64/80/222146480.db2.gz NEJMGBVAWQUMMF-JOCHJYFZSA-N 0 3 387.499 3.330 50 0 GGAAHN Cc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c(C)c1 ZINC000067601935 222148718 /nfs/dbraw/zinc/14/87/18/222148718.db2.gz VNALPOOLTWTQLA-UHFFFAOYSA-N 0 3 393.535 3.355 50 0 GGAAHN COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)cc1F ZINC000067602048 222148859 /nfs/dbraw/zinc/14/88/59/222148859.db2.gz XYPWXDQFFOQNRJ-UHFFFAOYSA-N 0 3 394.468 3.108 50 0 GGAAHN COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000067601741 222148910 /nfs/dbraw/zinc/14/89/10/222148910.db2.gz BOHQPUPCPCPQDQ-UHFFFAOYSA-N 0 3 390.505 3.277 50 0 GGAAHN CCNc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(C)n1 ZINC000067603973 222150332 /nfs/dbraw/zinc/15/03/32/222150332.db2.gz WJWFCYTXEUDERT-UHFFFAOYSA-N 0 3 393.413 3.198 50 0 GGAAHN CCNc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc(C)n1 ZINC000067620732 222151615 /nfs/dbraw/zinc/15/16/15/222151615.db2.gz SFAHNYRXKCWXOW-UHFFFAOYSA-N 0 3 393.413 3.198 50 0 GGAAHN CN1CCC(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000067622228 222152481 /nfs/dbraw/zinc/15/24/81/222152481.db2.gz MVCGDHRSZZSNFP-UHFFFAOYSA-N 0 3 384.351 3.416 50 0 GGAAHN CCCn1nc(C)c(CNc2nc(-c3cccnc3)nc3c2CCNC3)c1C ZINC000067679083 222153479 /nfs/dbraw/zinc/15/34/79/222153479.db2.gz PVCIZKWHUYQNDU-UHFFFAOYSA-N 0 3 377.496 3.020 50 0 GGAAHN COc1ccc(CNC[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000067740515 222157905 /nfs/dbraw/zinc/15/79/05/222157905.db2.gz PIAPBSKHDZTFAW-XMMPIXPASA-N 0 3 396.531 3.462 50 0 GGAAHN Cc1ncc(CO)c(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c1[O-] ZINC000067790143 222158947 /nfs/dbraw/zinc/15/89/47/222158947.db2.gz AQMQNUNLQCAQIA-QNWVGRARSA-N 0 3 382.504 3.240 50 0 GGAAHN Cc1ncc(CO)c(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c1[O-] ZINC000067790143 222158950 /nfs/dbraw/zinc/15/89/50/222158950.db2.gz AQMQNUNLQCAQIA-QNWVGRARSA-N 0 3 382.504 3.240 50 0 GGAAHN CC(C)Cc1nc(CN(C)c2nc(-c3ccccc3)nc3c2CCNC3)no1 ZINC000067817533 222160508 /nfs/dbraw/zinc/16/05/08/222160508.db2.gz QNTQQGPLWLEFML-UHFFFAOYSA-N 0 3 378.480 3.007 50 0 GGAAHN O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1ccc(F)c(F)c1 ZINC000067804520 222162288 /nfs/dbraw/zinc/16/22/88/222162288.db2.gz BBZKUTMDLGWMAV-QFIPXVFZSA-N 0 3 388.458 3.041 50 0 GGAAHN CC(C)c1ccc(CN2CCC[C@@](O)(CN(C)CCc3ccccn3)C2=O)cc1 ZINC000067847115 222163139 /nfs/dbraw/zinc/16/31/39/222163139.db2.gz MELJZOMKAQWIKV-XMMPIXPASA-N 0 3 395.547 3.233 50 0 GGAAHN CC[C@H]1CN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)CCN1 ZINC000067847182 222163429 /nfs/dbraw/zinc/16/34/29/222163429.db2.gz QFEPNJXRXYUGRX-KRWDZBQOSA-N 0 3 395.459 3.239 50 0 GGAAHN CN(C[C@H]1CCCCN1C)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000067842720 222163728 /nfs/dbraw/zinc/16/37/28/222163728.db2.gz GKSUJHCFSMMKDO-CYBMUJFWSA-N 0 3 379.407 3.088 50 0 GGAAHN Cc1cccc(CN2CC[C@@]3(C2)CCCN(C(=O)COc2ccccc2)C3)n1 ZINC000067885295 222165147 /nfs/dbraw/zinc/16/51/47/222165147.db2.gz OZRZRPSAFWPEQR-HSZRJFAPSA-N 0 3 379.504 3.284 50 0 GGAAHN CC(C)[C@H](C(=O)N1CCC2(CC1)CN(C)CCN2C)c1ccc(Cl)cc1 ZINC000067883995 222165228 /nfs/dbraw/zinc/16/52/28/222165228.db2.gz OLOYTTFDOHQRBY-IBGZPJMESA-N 0 3 377.960 3.318 50 0 GGAAHN CN1CCN(CCC(F)(F)F)CC12CCN(C(=O)CC1CCCC1)CC2 ZINC000067909862 222167991 /nfs/dbraw/zinc/16/79/91/222167991.db2.gz ODWAJPKMYADEDP-UHFFFAOYSA-N 0 3 375.479 3.128 50 0 GGAAHN Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(CCN2CCCCC2)CCO3)n1 ZINC000067934684 222169397 /nfs/dbraw/zinc/16/93/97/222169397.db2.gz MIRWEMBPZCIGNT-UHFFFAOYSA-N 0 3 382.508 3.146 50 0 GGAAHN O=S(=O)(NCC1CCN(c2ccncc2)CC1)c1ccc(F)c(Cl)c1 ZINC000070922192 222177472 /nfs/dbraw/zinc/17/74/72/222177472.db2.gz SZZHQOLTPZLINU-UHFFFAOYSA-N 0 3 383.876 3.069 50 0 GGAAHN NC(=O)c1ccc(NC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000071279541 222178191 /nfs/dbraw/zinc/17/81/91/222178191.db2.gz JFPMPRJOUVDCFP-UHFFFAOYSA-N 0 3 385.467 3.445 50 0 GGAAHN COCc1ncc(CN2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071405560 222183121 /nfs/dbraw/zinc/18/31/21/222183121.db2.gz JGIAOMVLEDRIBL-NRFANRHFSA-N 0 3 386.515 3.495 50 0 GGAAHN CC(C)[C@@H]1CN(CC(=O)N2CCCCC2)CCCN1Cc1ccc(F)cc1 ZINC000071551841 222186358 /nfs/dbraw/zinc/18/63/58/222186358.db2.gz YCGQAEJPSYCTSN-NRFANRHFSA-N 0 3 375.532 3.371 50 0 GGAAHN CCOc1ncccc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071764677 222195882 /nfs/dbraw/zinc/19/58/82/222195882.db2.gz KKXQAFOKRTYXCF-NJDAHSKKSA-N 0 3 377.488 3.183 50 0 GGAAHN Cn1ncc(CN2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)c1C1CC1 ZINC000072479762 222266051 /nfs/dbraw/zinc/26/60/51/222266051.db2.gz YSBFQHKJECSBDJ-UHFFFAOYSA-N 0 3 378.520 3.312 50 0 GGAAHN CCOC(=O)CCCN1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072120967 222207268 /nfs/dbraw/zinc/20/72/68/222207268.db2.gz JEXWARAOMLRGMR-ZLGUVYLKSA-N 0 3 378.463 3.170 50 0 GGAAHN CN(CCc1ccccc1)C1(C(=O)N[C@H]2CCSC2)Cc2ccccc2C1 ZINC000072126416 222208212 /nfs/dbraw/zinc/20/82/12/222208212.db2.gz NCXJUGKQQIELKH-NRFANRHFSA-N 0 3 380.557 3.320 50 0 GGAAHN Cc1cc(N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)nc(-c2ccccc2)n1 ZINC000072131911 222209505 /nfs/dbraw/zinc/20/95/05/222209505.db2.gz VQFLZWYEEWLVDU-YADHBBJMSA-N 0 3 386.499 3.365 50 0 GGAAHN Cc1c(C(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)sc2[nH]cnc(=O)c12 ZINC000072135621 222210716 /nfs/dbraw/zinc/21/07/16/222210716.db2.gz ZKMGYBLQOVPPMP-CQSZACIVSA-N 0 3 388.537 3.210 50 0 GGAAHN Cc1ccccc1N1CCN([C@@H]2CCCN(c3cc(C4CC4)ncn3)C2)CC1 ZINC000072137182 222210847 /nfs/dbraw/zinc/21/08/47/222210847.db2.gz JTVMLIKEEYQPJC-HXUWFJFHSA-N 0 3 377.536 3.453 50 0 GGAAHN COCCO[C@H]1[C@H](N)c2ccccc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000072138712 222210869 /nfs/dbraw/zinc/21/08/69/222210869.db2.gz SSKOTVGLGAWVHW-MSOLQXFVSA-N 0 3 376.497 3.000 50 0 GGAAHN CCOc1ccc(CN2CCC3(CC2)c2ccccc2N(C)C3=O)cc1CO ZINC000072133927 222211115 /nfs/dbraw/zinc/21/11/15/222211115.db2.gz CFRZRTSWNJIUMR-UHFFFAOYSA-N 0 3 380.488 3.088 50 0 GGAAHN COC(=O)CCCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072133235 222211300 /nfs/dbraw/zinc/21/13/00/222211300.db2.gz YOMQNJWYQIWPCG-LJQANCHMSA-N 0 3 378.488 3.228 50 0 GGAAHN Cc1c[nH]c(CN2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)c1=O ZINC000072153623 222212431 /nfs/dbraw/zinc/21/24/31/222212431.db2.gz DKHKGCYJWJZJQS-KSEOMHKRSA-N 0 3 381.495 3.193 50 0 GGAAHN c1coc(-c2nnc(CN3C[C@@H](c4ccccc4)[C@@H]4[C@H]3C3CCN4CC3)o2)c1 ZINC000072167719 222214501 /nfs/dbraw/zinc/21/45/01/222214501.db2.gz COLIGWPZHCOMDU-IOMROCGXSA-N 0 3 376.460 3.392 50 0 GGAAHN CN(Cc1ncc[nH]1)C(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072161811 222214778 /nfs/dbraw/zinc/21/47/78/222214778.db2.gz IPOZPXUOBUKOSU-UHFFFAOYSA-N 0 3 388.515 3.080 50 0 GGAAHN Cc1ccc([C@H]2CN(C(=O)CCCn3ccnc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072168550 222215270 /nfs/dbraw/zinc/21/52/70/222215270.db2.gz PICCDUJGFQMYFU-YMPZKCBVSA-N 0 3 378.520 3.061 50 0 GGAAHN COC(=O)CCCCN1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072165861 222215553 /nfs/dbraw/zinc/21/55/53/222215553.db2.gz UQGCKDHWVPQJOA-ZLGUVYLKSA-N 0 3 378.463 3.170 50 0 GGAAHN O=C(c1ccnc(N[C@H]2CCCN(CCc3ccccc3)C2)c1)N1CCCC1 ZINC000072409144 222255314 /nfs/dbraw/zinc/25/53/14/222255314.db2.gz WHGRFSQWNOQDKJ-NRFANRHFSA-N 0 3 378.520 3.437 50 0 GGAAHN O=C(CCc1cc2n(n1)CCCNC2)Nc1ccccc1CCc1ccccn1 ZINC000072423519 222256482 /nfs/dbraw/zinc/25/64/82/222256482.db2.gz AQNNQFLXBGPQSL-UHFFFAOYSA-N 0 3 389.503 3.128 50 0 GGAAHN O[C@H](Cn1ccnc1-c1cc2n(n1)CCCNC2)c1cc2ccccc2s1 ZINC000072419413 222256795 /nfs/dbraw/zinc/25/67/95/222256795.db2.gz NWXURFDEULNYQF-QGZVFWFLSA-N 0 3 379.489 3.188 50 0 GGAAHN CC(C)(O)CCc1ccc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)cc1 ZINC000072422325 222258015 /nfs/dbraw/zinc/25/80/15/222258015.db2.gz IVNYYEWEPGCGDN-OAQYLSRUSA-N 0 3 388.552 3.107 50 0 GGAAHN CN(C)[C@H](CNc1nc(-c2ccncc2)nc2c1cnn2C)c1cccs1 ZINC000072434802 222260375 /nfs/dbraw/zinc/26/03/75/222260375.db2.gz VCQVEYLGBZSMIM-OAHLLOKOSA-N 0 3 379.493 3.202 50 0 GGAAHN CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000072432028 222260907 /nfs/dbraw/zinc/26/09/07/222260907.db2.gz XMPOLJJTPBDDQM-QGZVFWFLSA-N 0 3 380.448 3.200 50 0 GGAAHN CCc1[nH]c2c(cc(C)cc2CNC(=O)CC[C@@H](C)N2CCN(C)CC2)c1C ZINC000071756798 222191592 /nfs/dbraw/zinc/19/15/92/222191592.db2.gz LSRWUHZVESYKHU-QGZVFWFLSA-N 0 3 384.568 3.379 50 0 GGAAHN Cc1cc(CN2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)on1 ZINC000095498229 222332601 /nfs/dbraw/zinc/33/26/01/222332601.db2.gz YLNZUSXFLABLGC-UHFFFAOYSA-N 0 3 385.464 3.385 50 0 GGAAHN Cc1ccc(-c2cc(C(=O)N3C[C@@H](c4ccc(C)cc4)[C@H](N(C)C)C3)[nH]n2)o1 ZINC000095499926 222333696 /nfs/dbraw/zinc/33/36/96/222333696.db2.gz AGPWLNHZMHWVKW-FXAWDEMLSA-N 0 3 378.476 3.456 50 0 GGAAHN Cc1ccc(C(N)=O)cc1NC(=O)NCCN1CC[C@@H](c2ccccc2C)C1 ZINC000095502024 222334168 /nfs/dbraw/zinc/33/41/68/222334168.db2.gz RGZFPDLBWVSHGB-GOSISDBHSA-N 0 3 380.492 3.013 50 0 GGAAHN Cc1ccc(C2(C(=O)N3CCC[C@H](c4nccn4CCN(C)C)C3)CC2)cc1 ZINC000095500889 222334432 /nfs/dbraw/zinc/33/44/32/222334432.db2.gz LZGYMFWKFBIYKQ-IBGZPJMESA-N 0 3 380.536 3.191 50 0 GGAAHN Cc1ccc(C(N)=O)cc1NC(=O)NCCN1CC[C@H](c2ccccc2C)C1 ZINC000095502025 222334580 /nfs/dbraw/zinc/33/45/80/222334580.db2.gz RGZFPDLBWVSHGB-SFHVURJKSA-N 0 3 380.492 3.013 50 0 GGAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1CCCc1cccnc1 ZINC000095500575 222334598 /nfs/dbraw/zinc/33/45/98/222334598.db2.gz RUQFRIXKRQZIPP-NRFANRHFSA-N 0 3 375.476 3.303 50 0 GGAAHN Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)no1 ZINC000095500946 222334810 /nfs/dbraw/zinc/33/48/10/222334810.db2.gz KASJSDXYFNCFPW-HNNXBMFYSA-N 0 3 397.454 3.154 50 0 GGAAHN COc1ccc([C@@H]2CN(Cc3cnn(-c4ccccc4)c3)C[C@H]2N(C)C)cc1 ZINC000095504187 222335777 /nfs/dbraw/zinc/33/57/77/222335777.db2.gz RZUWYDUESPWFRH-XZOQPEGZSA-N 0 3 376.504 3.411 50 0 GGAAHN O=C(c1ccc2c(c1)CCO2)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095503616 222335861 /nfs/dbraw/zinc/33/58/61/222335861.db2.gz UPTZLAHANTZDOR-MDNUFGMLSA-N 0 3 392.474 3.463 50 0 GGAAHN C[C@@H](N)C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000095506449 222337572 /nfs/dbraw/zinc/33/75/72/222337572.db2.gz GKYPMLMPFUKUCP-CQSZACIVSA-N 0 3 385.439 3.142 50 0 GGAAHN Cc1ncc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c(C)n1 ZINC000095507503 222337947 /nfs/dbraw/zinc/33/79/47/222337947.db2.gz ZMKKRVMOUAWDCI-IBGZPJMESA-N 0 3 384.499 3.259 50 0 GGAAHN CC(C)=CCN1CC2(CC1=O)CCN(C[C@@H]1CC(c3ccccc3)=NO1)CC2 ZINC000095506978 222338867 /nfs/dbraw/zinc/33/88/67/222338867.db2.gz RJLKQZOVGWLMNC-FQEVSTJZSA-N 0 3 381.520 3.460 50 0 GGAAHN C[C@@H](N)C(=O)N1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000095506500 222338877 /nfs/dbraw/zinc/33/88/77/222338877.db2.gz VTMIZJPPUKFVFQ-GFCCVEGCSA-N 0 3 391.393 3.190 50 0 GGAAHN C[C@H](N)C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000095506583 222339209 /nfs/dbraw/zinc/33/92/09/222339209.db2.gz GKYPMLMPFUKUCP-AWEZNQCLSA-N 0 3 385.439 3.142 50 0 GGAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C(C)(C)C ZINC000095507139 222339555 /nfs/dbraw/zinc/33/95/55/222339555.db2.gz BKALHNNAZWZHHV-GOSISDBHSA-N 0 3 377.548 3.474 50 0 GGAAHN CCC1=NO[C@H](CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)C1 ZINC000095508942 222340400 /nfs/dbraw/zinc/34/04/00/222340400.db2.gz WUQRFGSOEVXYTJ-FQEVSTJZSA-N 0 3 381.480 3.078 50 0 GGAAHN CSc1ccccc1CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095508248 222340816 /nfs/dbraw/zinc/34/08/16/222340816.db2.gz SXCHCMHIRIJLEB-UHFFFAOYSA-N 0 3 396.560 3.418 50 0 GGAAHN CSc1ccccc1CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095508248 222340820 /nfs/dbraw/zinc/34/08/20/222340820.db2.gz SXCHCMHIRIJLEB-UHFFFAOYSA-N 0 3 396.560 3.418 50 0 GGAAHN CCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)ccn1 ZINC000095508144 222341159 /nfs/dbraw/zinc/34/11/59/222341159.db2.gz FCMWHQVTBJXPQJ-UHFFFAOYSA-N 0 3 381.524 3.013 50 0 GGAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ncc[nH]1 ZINC000095512781 222341559 /nfs/dbraw/zinc/34/15/59/222341559.db2.gz FVQMXHOZSOVNQQ-UHFFFAOYSA-N 0 3 394.441 3.455 50 0 GGAAHN O=C1CC2(CN1Cc1ccccc1)CCN(Cc1ccccc1OCCO)CC2 ZINC000095510571 222342691 /nfs/dbraw/zinc/34/26/91/222342691.db2.gz ZZIYHTUAJPOWAT-UHFFFAOYSA-N 0 3 394.515 3.072 50 0 GGAAHN COc1cccc2ccc(CN3CCN(C4CCCCC4)[C@H](CCO)C3)nc21 ZINC000077011146 222272014 /nfs/dbraw/zinc/27/20/14/222272014.db2.gz SUOLQVDVRQVORO-OAQYLSRUSA-N 0 3 383.536 3.445 50 0 GGAAHN CSCC[C@H](N)C(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000077355238 222278789 /nfs/dbraw/zinc/27/87/89/222278789.db2.gz DWSRODFVSRYRRM-KRWDZBQOSA-N 0 3 376.501 3.002 50 0 GGAAHN Cc1nn(CCO)cc1CN1CCC[C@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000077387030 222279406 /nfs/dbraw/zinc/27/94/06/222279406.db2.gz FYXDONNLGQZXDD-IBGZPJMESA-N 0 3 379.508 3.262 50 0 GGAAHN O=C(c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1)N1CCCNCC1 ZINC000077439356 222281075 /nfs/dbraw/zinc/28/10/75/222281075.db2.gz IYAAQBMDFSJUJQ-UHFFFAOYSA-N 0 3 396.535 3.154 50 0 GGAAHN CN(C)c1ncc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cn1 ZINC000077436969 222281482 /nfs/dbraw/zinc/28/14/82/222281482.db2.gz LVQMIDAPQGOHNJ-KRWDZBQOSA-N 0 3 380.471 3.451 50 0 GGAAHN COc1cccc(CN2CC3(CC2=O)CCN(C[C@H](O)c2ccccc2)CC3)c1 ZINC000077489527 222283019 /nfs/dbraw/zinc/28/30/19/222283019.db2.gz IEMSFQKNFCSGHW-QFIPXVFZSA-N 0 3 394.515 3.243 50 0 GGAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CC=CC1 ZINC000095518290 222344201 /nfs/dbraw/zinc/34/42/01/222344201.db2.gz DSKQFNZWPFJABY-LJQANCHMSA-N 0 3 387.543 3.394 50 0 GGAAHN CCc1ocnc1C(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2OC)C1 ZINC000095517618 222344409 /nfs/dbraw/zinc/34/44/09/222344409.db2.gz WAEFHQFVBHBLEY-KRWDZBQOSA-N 0 3 385.508 3.272 50 0 GGAAHN CC(C)CN1CCCn2nc(CNC(=O)c3nccc4ccccc43)cc2C1 ZINC000082106968 222307847 /nfs/dbraw/zinc/30/78/47/222307847.db2.gz FLUDZKHQTWUWIQ-UHFFFAOYSA-N 0 3 377.492 3.223 50 0 GGAAHN CCc1ccc(CN2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cc1 ZINC000082121110 222310447 /nfs/dbraw/zinc/31/04/47/222310447.db2.gz FLMGAKKNVMITMF-QHCPKHFHSA-N 0 3 380.536 3.419 50 0 GGAAHN COc1ccc(CN2CCC(Cc3nnc(SC)n3C)CC2)c(OC)c1 ZINC000082120368 222310634 /nfs/dbraw/zinc/31/06/34/222310634.db2.gz XULCRSGYJFEYND-UHFFFAOYSA-N 0 3 376.526 3.009 50 0 GGAAHN CCc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cc1 ZINC000082121111 222310670 /nfs/dbraw/zinc/31/06/70/222310670.db2.gz FLMGAKKNVMITMF-HSZRJFAPSA-N 0 3 380.536 3.419 50 0 GGAAHN CCCN1CCCn2nc(CNC(=O)c3cc(C)nc4ccccc43)cc2C1 ZINC000082166946 222313230 /nfs/dbraw/zinc/31/32/30/222313230.db2.gz YOVORBHWUFNUFM-UHFFFAOYSA-N 0 3 377.492 3.285 50 0 GGAAHN Cc1ccc([C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(C)cc43)C[C@H]2N(C)C)cc1 ZINC000095522460 222348303 /nfs/dbraw/zinc/34/83/03/222348303.db2.gz UEECYYYIHYGXHG-RBBKRZOGSA-N 0 3 389.499 3.315 50 0 GGAAHN O=C(C1CC1)N1CCc2nc[nH]c2C12CCN(Cc1cccc(Cl)c1)CC2 ZINC000095522612 222348715 /nfs/dbraw/zinc/34/87/15/222348715.db2.gz SKKDTJREQKNAIV-UHFFFAOYSA-N 0 3 384.911 3.349 50 0 GGAAHN CCN1CCC(N(CCc2ccccn2)c2nc3c(s2)c(C)nn3C)CC1 ZINC000095525262 222349345 /nfs/dbraw/zinc/34/93/45/222349345.db2.gz GYHHYSLCKQPCDU-UHFFFAOYSA-N 0 3 384.553 3.267 50 0 GGAAHN CCOc1cccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 ZINC000095526655 222351335 /nfs/dbraw/zinc/35/13/35/222351335.db2.gz UTJQZQQWDYDYQW-UHFFFAOYSA-N 0 3 394.519 3.094 50 0 GGAAHN CCOc1cccc(CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)c1 ZINC000095526655 222351337 /nfs/dbraw/zinc/35/13/37/222351337.db2.gz UTJQZQQWDYDYQW-UHFFFAOYSA-N 0 3 394.519 3.094 50 0 GGAAHN CC(C)CN1CCc2nc[nH]c2C12CCN(C(=O)CCc1ccsc1)CC2 ZINC000095526139 222351520 /nfs/dbraw/zinc/35/15/20/222351520.db2.gz NENXEVUOKILOEL-UHFFFAOYSA-N 0 3 386.565 3.436 50 0 GGAAHN CCn1ccc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cc1=O ZINC000095525860 222351744 /nfs/dbraw/zinc/35/17/44/222351744.db2.gz BMPNJGCKPHKNAQ-UHFFFAOYSA-N 0 3 399.510 3.034 50 0 GGAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc(/C=C/c2ccccn2)cc1 ZINC000095530085 222352516 /nfs/dbraw/zinc/35/25/16/222352516.db2.gz QGRRWOHZJLWPMJ-OYIMBBQMSA-N 0 3 380.492 3.481 50 0 GGAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccn(C(F)F)n3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095530395 222352933 /nfs/dbraw/zinc/35/29/33/222352933.db2.gz ARACHTCSXIVQPD-QXAKKESOSA-N 0 3 386.446 3.289 50 0 GGAAHN COCCN1CC[C@@H](CNC(=O)Nc2ccc(/C=C/c3ccccn3)cc2)C1 ZINC000095530015 222353360 /nfs/dbraw/zinc/35/33/60/222353360.db2.gz NRXCRZKMIAEOEQ-MEQKGCOVSA-N 0 3 380.492 3.342 50 0 GGAAHN O=C(CC[C@H]1CCCN(CCn2cnnc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095531373 222354494 /nfs/dbraw/zinc/35/44/94/222354494.db2.gz APVURTKLZCBXJR-OAHLLOKOSA-N 0 3 395.429 3.428 50 0 GGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc(C)no1 ZINC000096139159 222385410 /nfs/dbraw/zinc/38/54/10/222385410.db2.gz LCHXCHJCSQRDGA-LJQANCHMSA-N 0 3 385.508 3.408 50 0 GGAAHN Cn1c(CN2CCCC2)nnc1C1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000096137255 222385908 /nfs/dbraw/zinc/38/59/08/222385908.db2.gz RLWZIBHAOJXIEX-UHFFFAOYSA-N 0 3 378.524 3.272 50 0 GGAAHN CN1CC2(CCN(Cc3cccc4nonc43)CC2)C[C@H](c2ccccc2)C1=O ZINC000096136336 222386594 /nfs/dbraw/zinc/38/65/94/222386594.db2.gz MUDINWFROGJQPA-LJQANCHMSA-N 0 3 390.487 3.451 50 0 GGAAHN Cc1ccc(CN2C[C@H]3C[N@H+](CC4CCC4)C[C@@]3(C(=O)[O-])C2)c2cccnc12 ZINC000096137439 222386737 /nfs/dbraw/zinc/38/67/37/222386737.db2.gz SLDXNXJCAVVUSO-AUSIDOKSSA-N 0 3 379.504 3.162 50 0 GGAAHN Cc1ccc(CN2C[C@H]3C[N@@H+](CC4CCC4)C[C@@]3(C(=O)[O-])C2)c2cccnc12 ZINC000096137439 222386739 /nfs/dbraw/zinc/38/67/39/222386739.db2.gz SLDXNXJCAVVUSO-AUSIDOKSSA-N 0 3 379.504 3.162 50 0 GGAAHN COCCN1CCC[C@@H](CNC(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000096139227 222387978 /nfs/dbraw/zinc/38/79/78/222387978.db2.gz BAFAMXSIVCMQMA-LBPRGKRZSA-N 0 3 377.382 3.324 50 0 GGAAHN Cc1cc(NC(=O)N2CC[C@@H](N(C)C)C2)n(-c2cc(C)c3ccccc3n2)n1 ZINC000096148726 222389390 /nfs/dbraw/zinc/38/93/90/222389390.db2.gz NIQNFTGBNOLCPL-MRXNPFEDSA-N 0 3 378.480 3.205 50 0 GGAAHN Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2ccccc2OC2CCN(C)CC2)n1 ZINC000096148030 222389558 /nfs/dbraw/zinc/38/95/58/222389558.db2.gz LFNFILHMSIDOBW-MRXNPFEDSA-N 0 3 385.512 3.183 50 0 GGAAHN Cc1nccn1Cc1nnc(C2CCN(C/C=C/c3ccccc3)CC2)n1C ZINC000096149237 222389577 /nfs/dbraw/zinc/38/95/77/222389577.db2.gz XOEOGTKGNIRBBL-RMKNXTFCSA-N 0 3 376.508 3.261 50 0 GGAAHN Cn1c(CN2CCCC2)nnc1C1CCN(Cc2ccnc3ccccc23)CC1 ZINC000096153354 222391540 /nfs/dbraw/zinc/39/15/40/222391540.db2.gz ZDHYOWYIVMHTDT-UHFFFAOYSA-N 0 3 390.535 3.339 50 0 GGAAHN Cc1cccc(CN2CCC(c3nnc(CN4CCCCCC4)n3C)CC2)n1 ZINC000096165240 222395513 /nfs/dbraw/zinc/39/55/13/222395513.db2.gz COMUJWWSDHRZSZ-UHFFFAOYSA-N 0 3 382.556 3.274 50 0 GGAAHN CCc1nc(-c2ccc(CN3CCN(C)CC3)cc2)n(Cc2ccccc2)n1 ZINC000096163616 222395874 /nfs/dbraw/zinc/39/58/74/222395874.db2.gz WTZBFKLXDZVKBV-UHFFFAOYSA-N 0 3 375.520 3.303 50 0 GGAAHN CCCOc1ccccc1CN1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccn1 ZINC000095519910 222345697 /nfs/dbraw/zinc/34/56/97/222345697.db2.gz PONFSZCNZGEFNB-PZJWPPBQSA-N 0 3 379.504 3.493 50 0 GGAAHN Cc1cc(NC(=O)N2CCN([C@@H]3CN4CCC3CC4)CC2)c(Cl)cc1F ZINC000095520978 222345932 /nfs/dbraw/zinc/34/59/32/222345932.db2.gz KUVCFSGFVOOESM-GOSISDBHSA-N 0 3 380.895 3.031 50 0 GGAAHN COc1ccccc1CNC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000426487763 534089025 /nfs/dbraw/zinc/08/90/25/534089025.db2.gz ZWXQVYVQWRURRO-UHFFFAOYSA-N 0 3 379.504 3.428 50 0 GGAAHN O=C(NCCN1CCC(c2ccccc2)CC1)N[C@@H](CO)c1ccc(F)cc1 ZINC000426563136 534323486 /nfs/dbraw/zinc/32/34/86/534323486.db2.gz CTSGTTDNUVBNFI-NRFANRHFSA-N 0 3 385.483 3.038 50 0 GGAAHN O=C(NCCc1ccc(Cl)cc1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000426376574 534447569 /nfs/dbraw/zinc/44/75/69/534447569.db2.gz UZUGAYSJOQKVRQ-LJQANCHMSA-N 0 3 379.932 3.169 50 0 GGAAHN Nc1nc(-c2ccc(-c3cccc(C(=O)N[C@H]4CCCC[C@@H]4O)c3)cc2)c[nH]1 ZINC000426547502 534837634 /nfs/dbraw/zinc/83/76/34/534837634.db2.gz BCANDGLKCQVEDI-ICSRJNTNSA-N 0 3 376.460 3.190 50 0 GGAAHN Nc1nc(-c2ccc(-c3ccc(C(=O)NCC4CCOCC4)cc3)cc2)c[nH]1 ZINC000426615056 534838033 /nfs/dbraw/zinc/83/80/33/534838033.db2.gz FCLOCADZKZQMQN-UHFFFAOYSA-N 0 3 376.460 3.313 50 0 GGAAHN O=C1N(Cc2ccccc2F)CCC[C@]1(O)CNCc1cccc(Cl)c1 ZINC000012612840 527039348 /nfs/dbraw/zinc/03/93/48/527039348.db2.gz BFAAURURNDLRLC-FQEVSTJZSA-N 0 3 376.859 3.122 50 0 GGAAHN CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cc(=O)[n-]c(=O)[nH]4)C3)C2)cc1 ZINC000426529310 528093391 /nfs/dbraw/zinc/09/33/91/528093391.db2.gz NAEYQJBIZPXVOI-QHCPKHFHSA-N 0 3 396.535 3.499 50 0 GGAAHN CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cc(=O)[n-]c(=O)[nH]4)C3)C2)cc1 ZINC000426529310 528093397 /nfs/dbraw/zinc/09/33/97/528093397.db2.gz NAEYQJBIZPXVOI-QHCPKHFHSA-N 0 3 396.535 3.499 50 0 GGAAHN CCN1CCCC[C@@H]1CNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000426606780 528999246 /nfs/dbraw/zinc/99/92/46/528999246.db2.gz RHOOIXXLKOIFAW-LJQANCHMSA-N 0 3 378.948 3.042 50 0 GGAAHN CCN(C)C(=O)CN1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000426395461 529121285 /nfs/dbraw/zinc/12/12/85/529121285.db2.gz XSFUZVDFEOGNJD-QHCPKHFHSA-N 0 3 385.552 3.103 50 0 GGAAHN CCCc1cnc(C)nc1N1CCC2(CC1)c1[nH]cnc1CCN2CC(C)C ZINC000095518169 535436527 /nfs/dbraw/zinc/43/65/27/535436527.db2.gz QFHGCZDMPOQGCR-UHFFFAOYSA-N 0 3 382.556 3.470 50 0 GGAAHN CN(C)Cc1ccc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)nc1 ZINC000095500996 536011294 /nfs/dbraw/zinc/01/12/94/536011294.db2.gz LIKHLKYRJJFLOX-LJQANCHMSA-N 0 3 376.508 3.167 50 0 GGAAHN CCn1cc(CN2CCCC23CCN(c2cnc4ccccc4n2)CC3)cn1 ZINC000072479511 536052010 /nfs/dbraw/zinc/05/20/10/536052010.db2.gz KHPFCOJWSMNFLI-UHFFFAOYSA-N 0 3 376.508 3.481 50 0 GGAAHN C[C@@H](CN1CCC(C)CC1)NC(=O)[C@]1(C)CC1(Br)Br ZINC000006849585 564229289 /nfs/dbraw/zinc/22/92/89/564229289.db2.gz LXDUPBWILSTEEG-AAEUAGOBSA-N 0 3 396.167 3.119 50 0 GGAAHN O=C(CCN(CCO)Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000002266156 564186854 /nfs/dbraw/zinc/18/68/54/564186854.db2.gz JSOZTTOQNKCKCG-UHFFFAOYSA-N 0 3 377.282 3.272 50 0 GGAAHN COc1cc(CNCCN(C)C)cc(Br)c1OCc1cccnc1 ZINC000019872461 564304421 /nfs/dbraw/zinc/30/44/21/564304421.db2.gz GZCDBCAALOVSPQ-UHFFFAOYSA-N 0 3 394.313 3.083 50 0 GGAAHN O=C(COc1ccc(Br)cc1)N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000019789937 564304458 /nfs/dbraw/zinc/30/44/58/564304458.db2.gz SRUDKLSOVSAKHI-INIZCTEOSA-N 0 3 393.325 3.328 50 0 GGAAHN O=C(COc1ccc(Br)cc1)N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000019789938 564304465 /nfs/dbraw/zinc/30/44/65/564304465.db2.gz SRUDKLSOVSAKHI-MRXNPFEDSA-N 0 3 393.325 3.328 50 0 GGAAHN O=S(=O)(CCc1ccccc1)NCC1CCN(Cc2cccs2)CC1 ZINC000023127723 564322382 /nfs/dbraw/zinc/32/23/82/564322382.db2.gz PJCXWXDEDFFBKA-UHFFFAOYSA-N 0 3 378.563 3.122 50 0 GGAAHN CN1CCN(C2(CNC(=O)c3ccccc3Br)CCCCC2)CC1 ZINC000027741754 564355953 /nfs/dbraw/zinc/35/59/53/564355953.db2.gz ITDRVDNMJXFDLA-UHFFFAOYSA-N 0 3 394.357 3.129 50 0 GGAAHN CCOC(=O)N(CCN(C)C)c1ncc(C(F)(F)F)cc1Br ZINC000091695756 564871543 /nfs/dbraw/zinc/87/15/43/564871543.db2.gz GUMWLKYKGSEACP-UHFFFAOYSA-N 0 3 384.196 3.387 50 0 GGAAHN CCc1nc(C)sc1CN1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000092001765 564874118 /nfs/dbraw/zinc/87/41/18/564874118.db2.gz DNDQJLRLZVYCKP-DZGCQCFKSA-N 0 3 376.551 3.093 50 0 GGAAHN O=C(c1cccs1)N1CCN(Cc2cc(CN3CCCC3)cs2)CC1 ZINC000670453423 566363392 /nfs/dbraw/zinc/36/33/92/566363392.db2.gz ZHPYEPFNVCTBCO-UHFFFAOYSA-N 0 3 375.563 3.363 50 0 GGAAHN Cc1n[nH]c(C)c1CCCNC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000096130843 570210648 /nfs/dbraw/zinc/21/06/48/570210648.db2.gz PDZIYYYRQDKNHS-UHFFFAOYSA-N 0 3 385.512 3.254 50 0 GGAAHN CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccc(F)cc2C)CC1 ZINC000096131964 570211579 /nfs/dbraw/zinc/21/15/79/570211579.db2.gz PSBHUFOMNJFIGB-UHFFFAOYSA-N 0 3 382.487 3.370 50 0 GGAAHN OCC[C@H]1CN(Cc2cccn2-c2ccc(Cl)cn2)CCN1C1CCCC1 ZINC000019732651 570211816 /nfs/dbraw/zinc/21/18/16/570211816.db2.gz DUDYKAJLAPNPQZ-FQEVSTJZSA-N 0 3 388.943 3.337 50 0 GGAAHN CCOc1cc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)ccc1OC ZINC000019758588 570216335 /nfs/dbraw/zinc/21/63/35/570216335.db2.gz XNNWOOLMOFRIHI-QFIPXVFZSA-N 0 3 398.547 3.205 50 0 GGAAHN c1ccc(N2CCN([C@@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)cc1 ZINC000019798629 570220336 /nfs/dbraw/zinc/22/03/36/570220336.db2.gz DRRUUJGUECSOQE-HXUWFJFHSA-N 0 3 377.492 3.009 50 0 GGAAHN COc1cccc(CN2CCC[C@H](NCc3cc4c(cc3OC)OCO4)C2)c1 ZINC000019839890 570224190 /nfs/dbraw/zinc/22/41/90/570224190.db2.gz MMCWZPAHYBDYQO-SFHVURJKSA-N 0 3 384.476 3.187 50 0 GGAAHN O=C(c1cccc(F)c1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000019877260 570227082 /nfs/dbraw/zinc/22/70/82/570227082.db2.gz 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ZINC000097394496 570242842 /nfs/dbraw/zinc/24/28/42/570242842.db2.gz PWYXAEYQDXJRFR-KRWDZBQOSA-N 0 3 378.948 3.448 50 0 GGAAHN O=C(CCc1n[nH]c2c1CCCC2)NC[C@@H](c1ccccc1F)N1CCCC1 ZINC000097402588 570243427 /nfs/dbraw/zinc/24/34/27/570243427.db2.gz HIIDOJHTWJQKBE-NRFANRHFSA-N 0 3 384.499 3.314 50 0 GGAAHN OCC[C@H]1CN(Cc2ccc3ncccc3c2)CCN1CCc1ccccc1 ZINC000020166350 570245529 /nfs/dbraw/zinc/24/55/29/570245529.db2.gz QUBSMJIQRVJNPZ-QHCPKHFHSA-N 0 3 375.516 3.346 50 0 GGAAHN O=C(N1CCn2nc(Cc3ccccc3)cc2C1)C1(N2CCCC2)CCCC1 ZINC000097529003 570245786 /nfs/dbraw/zinc/24/57/86/570245786.db2.gz NDGIYMUBZOUZOP-UHFFFAOYSA-N 0 3 378.520 3.225 50 0 GGAAHN O=C(NC[C@@H](c1ccccc1F)N1CCCC1)c1ccccc1-c1nc[nH]n1 ZINC000097568839 570246749 /nfs/dbraw/zinc/24/67/49/570246749.db2.gz QSIDBWWSGMIIMA-IBGZPJMESA-N 0 3 379.439 3.178 50 0 GGAAHN O=C(NC[C@@H](c1ccccc1F)N1CCCC1)c1ccccc1-c1nnc[nH]1 ZINC000097568839 570246754 /nfs/dbraw/zinc/24/67/54/570246754.db2.gz QSIDBWWSGMIIMA-IBGZPJMESA-N 0 3 379.439 3.178 50 0 GGAAHN O=C(NC[C@@H](c1ccccc1F)[NH+]1CCCC1)c1ccccc1-c1nnc[n-]1 ZINC000097568839 570246758 /nfs/dbraw/zinc/24/67/58/570246758.db2.gz QSIDBWWSGMIIMA-IBGZPJMESA-N 0 3 379.439 3.178 50 0 GGAAHN CC(=O)Nc1cc(NC(=O)NCCN2CC[C@H](c3ccccc3)C2)ccc1F ZINC000097635087 570248103 /nfs/dbraw/zinc/24/81/03/570248103.db2.gz KUPDIHPJQCJUHZ-KRWDZBQOSA-N 0 3 384.455 3.395 50 0 GGAAHN OCC[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)CCN1C1CCCCC1 ZINC000020236237 570249420 /nfs/dbraw/zinc/24/94/20/570249420.db2.gz VVXVXPPXCQDTJB-QGZVFWFLSA-N 0 3 380.916 3.270 50 0 GGAAHN COc1cccc(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020233080 570249458 /nfs/dbraw/zinc/24/94/58/570249458.db2.gz MIPDTBLYRUMMQK-OAQYLSRUSA-N 0 3 395.547 3.490 50 0 GGAAHN CC(C)Cc1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)[nH]n1 ZINC000020294700 570251768 /nfs/dbraw/zinc/25/17/68/570251768.db2.gz SEVAYINDHVRXBE-QHCPKHFHSA-N 0 3 384.568 3.110 50 0 GGAAHN CC(C)Cc1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)n[nH]1 ZINC000020294700 570251770 /nfs/dbraw/zinc/25/17/70/570251770.db2.gz SEVAYINDHVRXBE-QHCPKHFHSA-N 0 3 384.568 3.110 50 0 GGAAHN Cc1nc(-c2cccnc2)ncc1C(=O)NCCN1CC[C@H](c2ccccc2)C1 ZINC000097730206 570252282 /nfs/dbraw/zinc/25/22/82/570252282.db2.gz YOXDTLMTZSQWMG-FQEVSTJZSA-N 0 3 387.487 3.066 50 0 GGAAHN COc1ccccc1CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000001179459 570254801 /nfs/dbraw/zinc/25/48/01/570254801.db2.gz HLZGVCAWOJADBF-UHFFFAOYSA-N 0 3 393.531 3.256 50 0 GGAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cc(-c3ccccc3O)n[nH]2)C1 ZINC000097772965 570254950 /nfs/dbraw/zinc/25/49/50/570254950.db2.gz AOOUDYSHKXFDKZ-QGZVFWFLSA-N 0 3 390.487 3.310 50 0 GGAAHN OCC[C@@H]1CN(Cc2cccn2-c2nccs2)CCN1CC1CCCCC1 ZINC000020449873 570256432 /nfs/dbraw/zinc/25/64/32/570256432.db2.gz ISZVBDCKFDBOKP-LJQANCHMSA-N 0 3 388.581 3.383 50 0 GGAAHN COc1ccccc1CN1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000020451630 570257393 /nfs/dbraw/zinc/25/73/93/570257393.db2.gz KYXLEYHUGWTMRG-NRFANRHFSA-N 0 3 395.547 3.490 50 0 GGAAHN COCc1cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)ccc1OC ZINC000104457059 570258508 /nfs/dbraw/zinc/25/85/08/570258508.db2.gz LOJVIANKDSGWRI-HSZRJFAPSA-N 0 3 398.547 3.219 50 0 GGAAHN OCC[C@@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CCN1C1CCCCC1 ZINC000020455303 570258814 /nfs/dbraw/zinc/25/88/14/570258814.db2.gz SFQFEAOEZWLWDJ-JOCHJYFZSA-N 0 3 386.515 3.213 50 0 GGAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2)C1=O ZINC000020533309 570265360 /nfs/dbraw/zinc/26/53/60/570265360.db2.gz JZAHLXOLUUBHNR-SAGAUJLNSA-N 0 3 375.472 3.288 50 0 GGAAHN OCC[C@H]1CN(C2CCN(c3ccccc3)CC2)CCN1CCc1ccccc1 ZINC000020536007 570266124 /nfs/dbraw/zinc/26/61/24/570266124.db2.gz YIFFMFYODFRCCI-VWLOTQADSA-N 0 3 393.575 3.267 50 0 GGAAHN CN(Cc1ccccc1)[C@@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000020540632 570266717 /nfs/dbraw/zinc/26/67/17/570266717.db2.gz ITIUJPSSMOQLQY-LJQANCHMSA-N 0 3 386.565 3.076 50 0 GGAAHN CCc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccc(OC)cc23)C1=O ZINC000100129622 570266861 /nfs/dbraw/zinc/26/68/61/570266861.db2.gz CCUVUASJBSCGCY-HXUWFJFHSA-N 0 3 391.471 3.203 50 0 GGAAHN CCn1cc(-c2cc(C(=O)N[C@H]3CCCN(C)C3)c3ccc(C)cc3n2)cn1 ZINC000020543350 570267002 /nfs/dbraw/zinc/26/70/02/570267002.db2.gz XPNMDLBJRLECRD-KRWDZBQOSA-N 0 3 377.492 3.251 50 0 GGAAHN O=C(Nc1ccccc1)c1ccc(N2CC[C@@H](NCc3cccc(O)c3)C2)nc1 ZINC000049421018 570267200 /nfs/dbraw/zinc/26/72/00/570267200.db2.gz XNRSCRCGZLXASO-HXUWFJFHSA-N 0 3 388.471 3.408 50 0 GGAAHN CN(Cc1cc(-c2ccncc2)no1)C(=O)N[C@@H]1CCCN(C2CCCC2)C1 ZINC000584901937 570271505 /nfs/dbraw/zinc/27/15/05/570271505.db2.gz CVAKOYZRNSEZJZ-QGZVFWFLSA-N 0 3 383.496 3.285 50 0 GGAAHN Cn1ncc2c3nc([C@@H]4CCCN(Cc5cccc(Cl)c5)C4)nn3cnc21 ZINC000020608532 570271632 /nfs/dbraw/zinc/27/16/32/570271632.db2.gz KLRCABKSXIAVPR-CQSZACIVSA-N 0 3 381.871 3.044 50 0 GGAAHN CN1CC[C@H](NC(=O)N(CCc2c[nH]c3ccccc23)Cc2cccnc2)C1 ZINC000584903674 570274539 /nfs/dbraw/zinc/27/45/39/570274539.db2.gz ZOCVQUXBLJYKTN-IBGZPJMESA-N 0 3 377.492 3.021 50 0 GGAAHN O=C(CCc1nc(-c2ccccc2)no1)NC1CCN(Cc2ccccc2)CC1 ZINC000020903618 570283773 /nfs/dbraw/zinc/28/37/73/570283773.db2.gz YPLNDIXOZMBDCA-UHFFFAOYSA-N 0 3 390.487 3.450 50 0 GGAAHN CC(=O)Nc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000020910181 570284197 /nfs/dbraw/zinc/28/41/97/570284197.db2.gz TYVPJOSFWBKBBE-DEOSSOPVSA-N 0 3 392.547 3.432 50 0 GGAAHN CCN1CCC[C@H]1CNC(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000020992911 570286278 /nfs/dbraw/zinc/28/62/78/570286278.db2.gz CIROZQBCSQEPNE-INIZCTEOSA-N 0 3 380.448 3.016 50 0 GGAAHN CN1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000020999042 570286630 /nfs/dbraw/zinc/28/66/30/570286630.db2.gz IGVBLHMELZSXOZ-LJQANCHMSA-N 0 3 376.460 3.294 50 0 GGAAHN COc1cc(Cl)c(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1OC ZINC000020996610 570286662 /nfs/dbraw/zinc/28/66/62/570286662.db2.gz NYQLPCMOYKCYHJ-KRWDZBQOSA-N 0 3 382.932 3.168 50 0 GGAAHN COc1ccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)c(OC)c1 ZINC000020999079 570286733 /nfs/dbraw/zinc/28/67/33/570286733.db2.gz CLIJTXHZFVXHDS-FQEVSTJZSA-N 0 3 376.541 3.153 50 0 GGAAHN O=C(c1nc2ccccn2c1CN1CC[C@H](C2CCCCC2)C1)N1CCOCC1 ZINC000020996680 570286876 /nfs/dbraw/zinc/28/68/76/570286876.db2.gz ZBHWJKNLZRAJHZ-IBGZPJMESA-N 0 3 396.535 3.209 50 0 GGAAHN CC(C)Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)nc(N)n1 ZINC000215857348 570292943 /nfs/dbraw/zinc/29/29/43/570292943.db2.gz ATKVCDVTSYBFKS-HXUWFJFHSA-N 0 3 381.524 3.214 50 0 GGAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 ZINC000021795084 570296196 /nfs/dbraw/zinc/29/61/96/570296196.db2.gz RFNMCCJWFWYRGH-UHFFFAOYSA-N 0 3 380.496 3.048 50 0 GGAAHN CN1CCN(CCCNC(=O)C[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000216137280 570296305 /nfs/dbraw/zinc/29/63/05/570296305.db2.gz MAGKEMUJUZTEFP-QFIPXVFZSA-N 0 3 383.511 3.101 50 0 GGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)n1 ZINC000021795173 570296424 /nfs/dbraw/zinc/29/64/24/570296424.db2.gz WQFBNHKYHKQMPZ-UHFFFAOYSA-N 0 3 398.486 3.269 50 0 GGAAHN CCN1CCCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1 ZINC000216564772 570302941 /nfs/dbraw/zinc/30/29/41/570302941.db2.gz ZKDRXIRRXBNOBY-OAQYLSRUSA-N 0 3 382.552 3.032 50 0 GGAAHN COc1cccc2ccc(CN3CCN(C4CCCCC4)[C@@H](CCO)C3)nc21 ZINC000107100523 570308482 /nfs/dbraw/zinc/30/84/82/570308482.db2.gz SUOLQVDVRQVORO-NRFANRHFSA-N 0 3 383.536 3.445 50 0 GGAAHN CC(C)CCN1CCN(Cc2cccn2-c2ccc(Cl)cn2)C[C@@H]1CCO ZINC000022913632 570334061 /nfs/dbraw/zinc/33/40/61/570334061.db2.gz AIHWBIUCQSYWNC-IBGZPJMESA-N 0 3 390.959 3.440 50 0 GGAAHN COC(=O)c1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000022914473 570334785 /nfs/dbraw/zinc/33/47/85/570334785.db2.gz QPXLVBXDQLNQKL-HSZRJFAPSA-N 0 3 393.531 3.260 50 0 GGAAHN OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CCN1C1CCCC1 ZINC000022932792 570337738 /nfs/dbraw/zinc/33/77/38/570337738.db2.gz ZWOWGDHQOBVHRU-FQEVSTJZSA-N 0 3 382.508 3.080 50 0 GGAAHN CN(C)CCN1COc2ccc3cc(-c4cc(F)cc(F)c4)c(=O)oc3c2C1 ZINC000022935570 570338206 /nfs/dbraw/zinc/33/82/06/570338206.db2.gz VFBLAVMAXQRDDV-UHFFFAOYSA-N 0 3 386.398 3.452 50 0 GGAAHN O=c1cc(CN2CCN(Cc3cccc4ccccc43)CC2)nc2sccn21 ZINC000023095803 570343720 /nfs/dbraw/zinc/34/37/20/570343720.db2.gz VAVUTNSVHHJLMS-UHFFFAOYSA-N 0 3 390.512 3.227 50 0 GGAAHN CN1CCC(OCCCNC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000584903920 570350343 /nfs/dbraw/zinc/35/03/43/570350343.db2.gz PGKLKZMCZAMJAE-KRWDZBQOSA-N 0 3 379.932 3.340 50 0 GGAAHN COc1cc2c(cc1OC)[C@H](COc1ccc3c(C)cc(=O)oc3c1)NCC2 ZINC000023230364 570351218 /nfs/dbraw/zinc/35/12/18/570351218.db2.gz QIYSCXNZGINAAJ-SFHVURJKSA-N 0 3 381.428 3.384 50 0 biogenic GGAAHN c1cnn(-c2ccc(N3CCC(NCc4cn5ccsc5n4)CC3)cc2)c1 ZINC000023311698 570354477 /nfs/dbraw/zinc/35/44/77/570354477.db2.gz BYJUTMDKMMXBRM-UHFFFAOYSA-N 0 3 378.505 3.340 50 0 GGAAHN COc1ccc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)cc1OC ZINC000023373587 570357623 /nfs/dbraw/zinc/35/76/23/570357623.db2.gz VHCXWULZPZTRCO-NRFANRHFSA-N 0 3 384.520 3.081 50 0 GGAAHN Cc1ccccc1CN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO ZINC000023375532 570358968 /nfs/dbraw/zinc/35/89/68/570358968.db2.gz 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ZINC000221264558 570392410 /nfs/dbraw/zinc/39/24/10/570392410.db2.gz AUEZETGUBWLEBH-OAQYLSRUSA-N 0 3 382.533 3.104 50 0 GGAAHN COc1ccc(C(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004703480 570395217 /nfs/dbraw/zinc/39/52/17/570395217.db2.gz SBOSQEBRKSWBQS-UHFFFAOYSA-N 0 3 379.504 3.122 50 0 GGAAHN COc1ccccc1CN1CCC(N2CCN(c3ccccc3OC)CC2)CC1 ZINC000004703448 570395317 /nfs/dbraw/zinc/39/53/17/570395317.db2.gz JCGOGTNWZOGNLW-UHFFFAOYSA-N 0 3 395.547 3.490 50 0 GGAAHN COc1ccc([C@@H](O)Cn2c3ccccc3n(CCN3CCCCC3)c2=N)cc1 ZINC000004793844 570405953 /nfs/dbraw/zinc/40/59/53/570405953.db2.gz REWRNKZOHJNJGC-QFIPXVFZSA-N 0 3 394.519 3.150 50 0 GGAAHN COc1ccc(N2C(=O)c3cccc4c(N5CCNCC5)ccc(c43)C2=O)cc1 ZINC000005249231 570432307 /nfs/dbraw/zinc/43/23/07/570432307.db2.gz YQTHKVJWZHZIFH-UHFFFAOYSA-N 0 3 387.439 3.059 50 0 GGAAHN CCc1ccc(O[C@H](C)C(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1 ZINC000027741702 570441100 /nfs/dbraw/zinc/44/11/00/570441100.db2.gz NQRNGJZGJODUMA-LJQANCHMSA-N 0 3 387.568 3.083 50 0 GGAAHN Cc1cc(C)cc(O[C@H](C)C(=O)NCC2(N3CCN(C)CC3)CCCCC2)c1 ZINC000027741603 570441320 /nfs/dbraw/zinc/44/13/20/570441320.db2.gz RHKHXJZPZOHDMB-HXUWFJFHSA-N 0 3 387.568 3.137 50 0 GGAAHN O=C(Cc1ccccc1C(F)(F)F)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1 ZINC000223241252 570452298 /nfs/dbraw/zinc/45/22/98/570452298.db2.gz PYHIZWVJXRKBOD-ZWQIFLOQSA-N 0 3 382.426 3.006 50 0 GGAAHN CCN1CCN(C2(CNC(=O)[C@H](C)Oc3ccccc3F)CCCCC2)CC1 ZINC000028403408 570459132 /nfs/dbraw/zinc/45/91/32/570459132.db2.gz HDQZZVMAPHRNII-SFHVURJKSA-N 0 3 391.531 3.050 50 0 GGAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000028693836 570463083 /nfs/dbraw/zinc/46/30/83/570463083.db2.gz IYFGAWCSFIXRPI-UHFFFAOYSA-N 0 3 378.520 3.026 50 0 GGAAHN Cc1ccc2nc([C@@H]3CCCN(Cc4cc(=O)n5ccsc5n4)C3)[nH]c2c1 ZINC000130795213 570464568 /nfs/dbraw/zinc/46/45/68/570464568.db2.gz KHQITEPSOGELDR-CQSZACIVSA-N 0 3 379.489 3.320 50 0 GGAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000101171571 570505142 /nfs/dbraw/zinc/50/51/42/570505142.db2.gz MLMNIIWAGRXMHP-HSALFYBXSA-N 0 3 390.395 3.339 50 0 GGAAHN O=C(Cc1csc(-n2cccc2)n1)NC1CCN(Cc2ccccc2)CC1 ZINC000032089596 570508073 /nfs/dbraw/zinc/50/80/73/570508073.db2.gz FSXOEJHMWYEZNP-UHFFFAOYSA-N 0 3 380.517 3.257 50 0 GGAAHN C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000079169387 570510633 /nfs/dbraw/zinc/51/06/33/570510633.db2.gz OGBBTISOBNPJSF-GOSISDBHSA-N 0 3 378.520 3.095 50 0 GGAAHN Cc1ccccc1C(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 ZINC000033318273 570524642 /nfs/dbraw/zinc/52/46/42/570524642.db2.gz TYIGTMDIEBFQCT-UHFFFAOYSA-N 0 3 379.508 3.046 50 0 GGAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 ZINC000033318540 570524969 /nfs/dbraw/zinc/52/49/69/570524969.db2.gz YSYPVMYAKHLVGL-UHFFFAOYSA-N 0 3 398.486 3.269 50 0 GGAAHN COc1cccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000022135412 570538332 /nfs/dbraw/zinc/53/83/32/570538332.db2.gz SMTVXAWCXUWOBE-UHFFFAOYSA-N 0 3 379.548 3.477 50 0 GGAAHN C[C@@H](CN1CCCCC1)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000192778564 570542920 /nfs/dbraw/zinc/54/29/20/570542920.db2.gz WUWSLDNGOXLGBM-AWEZNQCLSA-N 0 3 380.414 3.495 50 0 GGAAHN O=C(NC1CCN(CCc2ccccc2)CC1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000263972782 570545418 /nfs/dbraw/zinc/54/54/18/570545418.db2.gz XNRUDWSFTQMMMK-IBGZPJMESA-N 0 3 381.524 3.006 50 0 GGAAHN CN(C)CCCn1cnc2c(c1=N)[C@H](c1ccccc1)c1ccc(O)cc1O2 ZINC000005352206 570559484 /nfs/dbraw/zinc/55/94/84/570559484.db2.gz FHIFNRCJPFVSFF-LJQANCHMSA-N 0 3 376.460 3.306 50 0 GGAAHN CN(C)CCCn1cnc2c(c1=N)[C@@H](c1ccccc1)c1ccc(O)cc1O2 ZINC000005352210 570559503 /nfs/dbraw/zinc/55/95/03/570559503.db2.gz FHIFNRCJPFVSFF-IBGZPJMESA-N 0 3 376.460 3.306 50 0 GGAAHN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccs2)N(CCCN(C)C)C1=O ZINC000005345994 570561097 /nfs/dbraw/zinc/56/10/97/570561097.db2.gz ZTFZSMMTFVSTRE-GOSISDBHSA-N 0 3 398.484 3.360 50 0 GGAAHN COc1ccc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c(OC)c1 ZINC000036384464 570564651 /nfs/dbraw/zinc/56/46/51/570564651.db2.gz DFUKNEPNGFVJDY-JOCHJYFZSA-N 0 3 398.547 3.205 50 0 GGAAHN Cc1ccc(-c2csc3nc(SCCN4CCCC4)n(N)c(=O)c23)cc1 ZINC000036646117 570567527 /nfs/dbraw/zinc/56/75/27/570567527.db2.gz JMTQEEHIRHGTQY-UHFFFAOYSA-N 0 3 386.546 3.335 50 0 GGAAHN CN(Cc1ccccc1)C1(C(=O)NCCc2cccnc2)Cc2ccccc2C1 ZINC000039359914 570590103 /nfs/dbraw/zinc/59/01/03/570590103.db2.gz DHSLYXZRLUELTN-UHFFFAOYSA-N 0 3 385.511 3.410 50 0 GGAAHN CCOc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)ccc1O ZINC000039388192 570590590 /nfs/dbraw/zinc/59/05/90/570590590.db2.gz DATHGOZEUOUFEF-JOCHJYFZSA-N 0 3 398.547 3.292 50 0 GGAAHN Cc1c(CNC(=O)C2(N(C)Cc3ccccc3)Cc3ccccc3C2)cnn1C ZINC000039395005 570590794 /nfs/dbraw/zinc/59/07/94/570590794.db2.gz KIAYJUWVYNMGCH-UHFFFAOYSA-N 0 3 388.515 3.014 50 0 GGAAHN COc1cccc(CN2CCN(Cc3cccc4ncccc34)C[C@@H]2CCO)c1 ZINC000039437448 570591352 /nfs/dbraw/zinc/59/13/52/570591352.db2.gz IJOIIDVGCWBTMP-NRFANRHFSA-N 0 3 391.515 3.312 50 0 GGAAHN CC(C)=CCN1CCN(Cc2cccc(-n3nc(C)cc3C)c2)C[C@H]1CCO ZINC000039466432 570591905 /nfs/dbraw/zinc/59/19/05/570591905.db2.gz GBQOWJQINDRMKP-HSZRJFAPSA-N 0 3 382.552 3.324 50 0 GGAAHN CC(=O)Nc1ccc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc1 ZINC000039542587 570593302 /nfs/dbraw/zinc/59/33/02/570593302.db2.gz SWWRZVGCCSCBDU-XMMPIXPASA-N 0 3 395.547 3.146 50 0 GGAAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(OCCO)cc2)C1 ZINC000012058672 570603441 /nfs/dbraw/zinc/60/34/41/570603441.db2.gz HEZODWZMXZPZDA-XMMPIXPASA-N 0 3 397.515 3.446 50 0 GGAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000004593546 570624618 /nfs/dbraw/zinc/62/46/18/570624618.db2.gz KCOBPCXTEANSGM-VAMGGRTRSA-N 0 3 389.386 3.272 50 0 GGAAHN Cc1sc2ncnc(N3CCC[C@@H](Cn4cc(C(C)(C)N)nn4)C3)c2c1C ZINC000048135001 570655607 /nfs/dbraw/zinc/65/56/07/570655607.db2.gz AYRULAMHGVKFTB-CQSZACIVSA-N 0 3 385.541 3.010 50 0 GGAAHN CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2CCCN2[C@]12c1ccccc1NC2=O ZINC000230168405 570668345 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CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccn1 ZINC000005967771 570810241 /nfs/dbraw/zinc/81/02/41/570810241.db2.gz CUJHFOUDIWIZGF-IBGZPJMESA-N 0 3 377.444 3.075 50 0 GGAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccncc1 ZINC000005967769 570810248 /nfs/dbraw/zinc/81/02/48/570810248.db2.gz DZDZIGMZMMGQPN-IBGZPJMESA-N 0 3 377.444 3.075 50 0 GGAAHN CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000004689460 570834882 /nfs/dbraw/zinc/83/48/82/570834882.db2.gz ZYVLGZXPMFGDFX-SFHVURJKSA-N 0 3 391.899 3.433 50 0 GGAAHN COc1ccc(CC(=O)NCC2CCN(Cc3ccsc3)CC2)cc1OC ZINC000043971905 570846939 /nfs/dbraw/zinc/84/69/39/570846939.db2.gz HXIOIBWAEPWMNK-UHFFFAOYSA-N 0 3 388.533 3.336 50 0 GGAAHN CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1cccc(F)c1F)C2 ZINC000014531368 570847746 /nfs/dbraw/zinc/84/77/46/570847746.db2.gz GRKKIOFFRWPIOV-OAHLLOKOSA-N 0 3 390.478 3.166 50 0 GGAAHN COc1cccc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3C)c1 ZINC000014535400 570848040 /nfs/dbraw/zinc/84/80/40/570848040.db2.gz GXPJWZQBWDNCTM-UHFFFAOYSA-N 0 3 393.487 3.124 50 0 GGAAHN CCc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CC)o1 ZINC000014539412 570848987 /nfs/dbraw/zinc/84/89/87/570848987.db2.gz YKVJCNDMYQRCGC-UHFFFAOYSA-N 0 3 396.491 3.056 50 0 GGAAHN COc1ccc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccccc2)cc1 ZINC000014539296 570849116 /nfs/dbraw/zinc/84/91/16/570849116.db2.gz GQFWAQAGKUCJNK-UHFFFAOYSA-N 0 3 393.487 3.124 50 0 GGAAHN Cc1cc(CNC(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)on1 ZINC000072145532 570870986 /nfs/dbraw/zinc/87/09/86/570870986.db2.gz HHYRJMUBLUHDBN-UHFFFAOYSA-N 0 3 389.499 3.311 50 0 GGAAHN O=C(N[C@H]1CCCN(CC2CCCCC2)C1)c1cnc(-c2cccnc2)nc1 ZINC000072148635 570872845 /nfs/dbraw/zinc/87/28/45/570872845.db2.gz JJCBNSIAJQVFCJ-FQEVSTJZSA-N 0 3 379.508 3.313 50 0 GGAAHN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1ccc(O)cc1)CC2 ZINC000299766415 570893356 /nfs/dbraw/zinc/89/33/56/570893356.db2.gz IVWZDVGKUQTDAW-OAQYLSRUSA-N 0 3 394.515 3.362 50 0 GGAAHN Cc1ccc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)o1 ZINC000299768714 570893439 /nfs/dbraw/zinc/89/34/39/570893439.db2.gz OUACVYDXFHAJHQ-KRWDZBQOSA-N 0 3 376.526 3.367 50 0 GGAAHN COc1ccc(NC(=O)N2CCCO[C@H](CN3CCCCC3)C2)cc1Cl ZINC000299774141 570894441 /nfs/dbraw/zinc/89/44/41/570894441.db2.gz BAUXWBSSTLQOLN-MRXNPFEDSA-N 0 3 381.904 3.457 50 0 GGAAHN COc1cc(COc2ccc(CN[C@H]3CCCCNC3=O)cc2)cc(OC)c1 ZINC000299794203 570897004 /nfs/dbraw/zinc/89/70/04/570897004.db2.gz JJRXGTROUFMNMD-NRFANRHFSA-N 0 3 384.476 3.041 50 0 GGAAHN Cc1nc2ccc(-c3ccc(C(=O)N(C)C[C@@]4(C)CCN(C)C4)cc3)cn2n1 ZINC000534629726 570908756 /nfs/dbraw/zinc/90/87/56/570908756.db2.gz GMTXVWNAJXOWCG-QFIPXVFZSA-N 0 3 377.492 3.119 50 0 GGAAHN C[C@@H](CCNC(=O)N(Cc1ccccc1Cl)C1CC1)N1CCN(C)CC1 ZINC000534646041 570911286 /nfs/dbraw/zinc/91/12/86/570911286.db2.gz GXTHFLFUISLQQY-INIZCTEOSA-N 0 3 378.948 3.040 50 0 GGAAHN CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)NCCN1CCCC[C@@H]1C ZINC000534636371 570911747 /nfs/dbraw/zinc/91/17/47/570911747.db2.gz SMKWKXCFDPJMOB-HNNXBMFYSA-N 0 3 375.492 3.150 50 0 GGAAHN 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571073008 /nfs/dbraw/zinc/07/30/08/571073008.db2.gz WITMSXKXMMVEJO-CDNPAEQRSA-N 0 3 394.519 3.084 50 0 GGAAHN Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095391496 571073068 /nfs/dbraw/zinc/07/30/68/571073068.db2.gz XWRSRLYHFGPKLD-LJQANCHMSA-N 0 3 378.476 3.302 50 0 GGAAHN CN(C)CCn1ccnc1C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000095509344 571080795 /nfs/dbraw/zinc/08/07/95/571080795.db2.gz BDGJNLOHGPHYSY-UHFFFAOYSA-N 0 3 382.537 3.347 50 0 GGAAHN O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(CCc2ncc[nH]2)C1 ZINC000095509957 571081063 /nfs/dbraw/zinc/08/10/63/571081063.db2.gz OKONRWFPGQIYGV-INIZCTEOSA-N 0 3 381.505 3.426 50 0 GGAAHN CCN(CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccccn1 ZINC000004271579 1398388119 /nfs/dbraw/zinc/38/81/19/1398388119.db2.gz ZUKMCTQKEIAETL-HXUWFJFHSA-N 0 3 391.471 3.383 50 0 GGAAHN O=C1C2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000008378311 1398827876 /nfs/dbraw/zinc/82/78/76/1398827876.db2.gz LIJHUPDOOHISDH-UKRRQHHQSA-N 0 3 378.281 3.137 50 0 GGAAHN CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3ccc4cc(F)ccc4n3)C2)CC1 ZINC000011664897 1399003110 /nfs/dbraw/zinc/00/31/10/1399003110.db2.gz PLYJYEIYSFQMSN-SFHVURJKSA-N 0 3 398.526 3.140 50 0 GGAAHN COCCNCc1cc2cc3c(cc2nc1OCc1cccc(F)c1)OCO3 ZINC000011913480 1399017414 /nfs/dbraw/zinc/01/74/14/1399017414.db2.gz QGEVGNUZFZJFQA-UHFFFAOYSA-N 0 3 384.407 3.418 50 0 GGAAHN Cc1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)s1 ZINC000012021858 1399023942 /nfs/dbraw/zinc/02/39/42/1399023942.db2.gz BFGDHMDDZHJFTE-INIZCTEOSA-N 0 3 381.505 3.488 50 0 GGAAHN CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(CC(C)(C)C)CC2 ZINC000012030610 1399024652 /nfs/dbraw/zinc/02/46/52/1399024652.db2.gz USVCRLPHZTWKAO-GOSISDBHSA-N 0 3 398.555 3.095 50 0 GGAAHN COc1cc(C[C@@H](C)N2CCc3nnc(Cc4ccccc4)n3CC2)ccc1O ZINC000012080172 1399027782 /nfs/dbraw/zinc/02/77/82/1399027782.db2.gz HXJAXOABPLEJCM-QGZVFWFLSA-N 0 3 392.503 3.072 50 0 GGAAHN COC(=O)c1ccc(CN2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CCC2=O)cc1 ZINC000012279228 1399036423 /nfs/dbraw/zinc/03/64/23/1399036423.db2.gz RVVWOGGARCAWHX-SFTDATJTSA-N 0 3 396.531 3.500 50 0 GGAAHN O[C@@H]1CN(C/C=C/c2ccccc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000012307603 1399038191 /nfs/dbraw/zinc/03/81/91/1399038191.db2.gz UUWIPUCWBIOHTM-VSUNYVQISA-N 0 3 395.522 3.096 50 0 GGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn(CC2CCCCC2)nn1 ZINC000012478179 1399045155 /nfs/dbraw/zinc/04/51/55/1399045155.db2.gz NXXBMWDHWFBWSA-UHFFFAOYSA-N 0 3 381.524 3.253 50 0 GGAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(c3cc(C)nc(N)n3)C2)c(C)c1 ZINC000012570670 1399047507 /nfs/dbraw/zinc/04/75/07/1399047507.db2.gz YIBFIBKZIOOEEJ-INIZCTEOSA-N 0 3 383.496 3.320 50 0 GGAAHN CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccccc1F)C2 ZINC000014535169 1399109840 /nfs/dbraw/zinc/10/98/40/1399109840.db2.gz WVOBVBHUIDLGSK-KRWDZBQOSA-N 0 3 384.499 3.315 50 0 GGAAHN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1cccc(O)c1)CC2 ZINC000014881330 1399124585 /nfs/dbraw/zinc/12/45/85/1399124585.db2.gz CWUVMYYNIVTVPD-OAQYLSRUSA-N 0 3 394.515 3.362 50 0 GGAAHN CC1CCN(Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)CC1 ZINC000015003083 1399131033 /nfs/dbraw/zinc/13/10/33/1399131033.db2.gz OJGWEPUWBAFHRK-UHFFFAOYSA-N 0 3 390.487 3.085 50 0 GGAAHN O=C1C[C@@H](NCc2cccn2-c2nccs2)CN1CCCc1ccccc1 ZINC000015075340 1399136555 /nfs/dbraw/zinc/13/65/55/1399136555.db2.gz UARLYVAMZSZRPA-GOSISDBHSA-N 0 3 380.517 3.257 50 0 GGAAHN OCC[C@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)CCN1C1CCCC1 ZINC000019741038 1399337948 /nfs/dbraw/zinc/33/79/48/1399337948.db2.gz CILXHROYNNXAHR-SFHVURJKSA-N 0 3 390.915 3.201 50 0 GGAAHN CC(C)n1cc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000019794567 1399338884 /nfs/dbraw/zinc/33/88/84/1399338884.db2.gz RKQPXXBAEIRJSP-QFIPXVFZSA-N 0 3 385.531 3.390 50 0 GGAAHN O=C(CCN1CC[C@@H](c2ccc3c(c2)OCO3)C1)c1ccc2c(c1)OCCO2 ZINC000022216134 1399445100 /nfs/dbraw/zinc/44/51/00/1399445100.db2.gz URQRSYRFKGGKGY-QGZVFWFLSA-N 0 3 381.428 3.249 50 0 GGAAHN COc1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cc(Cl)c1[O-] ZINC000022853614 1399510828 /nfs/dbraw/zinc/51/08/28/1399510828.db2.gz MZTWCCZSMPTOAR-QGZVFWFLSA-N 0 3 382.932 3.256 50 0 GGAAHN COc1cc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)cc(Cl)c1[O-] ZINC000022853614 1399510835 /nfs/dbraw/zinc/51/08/35/1399510835.db2.gz MZTWCCZSMPTOAR-QGZVFWFLSA-N 0 3 382.932 3.256 50 0 GGAAHN Cc1cccc(CN2CC[C@@H](N3CCN(Cc4ccncc4)CC3)CCC2=O)c1 ZINC000022917818 1399516887 /nfs/dbraw/zinc/51/68/87/1399516887.db2.gz LXORQEVEIUOIOU-QHCPKHFHSA-N 0 3 392.547 3.089 50 0 GGAAHN Cc1nccnc1-c1cc(=O)[n-]c(-c2cccc(C[N@H+]3CCC[C@H](C)C3)c2)n1 ZINC000023379803 1399554595 /nfs/dbraw/zinc/55/45/95/1399554595.db2.gz XEDABRKINOCJMB-HNNXBMFYSA-N 0 3 375.476 3.434 50 0 GGAAHN Cc1nccnc1-c1cc(=O)[n-]c(-c2cccc(C[N@@H+]3CCC[C@H](C)C3)c2)n1 ZINC000023379803 1399554597 /nfs/dbraw/zinc/55/45/97/1399554597.db2.gz XEDABRKINOCJMB-HNNXBMFYSA-N 0 3 375.476 3.434 50 0 GGAAHN Cc1nc([C@@H](C)N(C)Cc2ccc(-c3nc(CC[NH3+])cc(=O)[n-]3)cc2)c(C)s1 ZINC000023505959 1399566401 /nfs/dbraw/zinc/56/64/01/1399566401.db2.gz FZSZXYRYKAGHSE-CYBMUJFWSA-N 0 3 397.548 3.204 50 0 GGAAHN O=C(CN1CCC[C@@H]2CCCC[C@H]21)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000230027936 1433372448 /nfs/dbraw/zinc/37/24/48/1433372448.db2.gz DDSMXWPMRPIZSL-HNAYVOBHSA-N 0 3 396.487 3.432 50 0 GGAAHN