smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000004580421 204054073 /nfs/dbraw/zinc/05/40/73/204054073.db2.gz HNSNKMPSOKDMRK-ALCBUZAKSA-N 0 1 397.434 2.785 40 0 GFABMN O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)N1CCc2ccccc2C1 ZINC000004968214 204096969 /nfs/dbraw/zinc/09/69/69/204096969.db2.gz LOWOFPQQGLUHES-UHFFFAOYSA-N 0 1 393.466 2.792 40 0 GFABMN COc1ccc(C2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000012113922 204372739 /nfs/dbraw/zinc/37/27/39/204372739.db2.gz VYBZUAXCXPVULF-UHFFFAOYSA-N 0 1 382.460 2.920 40 0 GFABMN Cc1cc2oc(C(=O)NCCc3nc(-c4ccncc4)n[nH]3)cc(=O)c2cc1C ZINC000012197291 204380920 /nfs/dbraw/zinc/38/09/20/204380920.db2.gz ZBUIESXISMKSMO-UHFFFAOYSA-N 0 1 389.415 2.562 40 0 GFABMN CN(C)[C@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCO2 ZINC000012203749 204382015 /nfs/dbraw/zinc/38/20/15/204382015.db2.gz BBJZACQAJAKYRJ-DNVCBOLYSA-N 0 1 388.851 2.791 40 0 GFABMN CN1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000036140816 205007529 /nfs/dbraw/zinc/00/75/29/205007529.db2.gz YCMRVDSXSPKUOV-UHFFFAOYSA-N 0 1 378.476 2.818 40 0 GFABMN Cn1ccnc1CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCCN12 ZINC000072342675 205329726 /nfs/dbraw/zinc/32/97/26/205329726.db2.gz HKAQPWKSKYTNDL-UHFFFAOYSA-N 0 1 384.915 2.944 40 0 GFABMN Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000072346129 205329858 /nfs/dbraw/zinc/32/98/58/205329858.db2.gz LOJLYNBELQDUSS-INIZCTEOSA-N 0 1 383.471 2.667 40 0 GFABMN COc1cccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCOCC4)C3)n2)c1 ZINC000072348720 205331194 /nfs/dbraw/zinc/33/11/94/205331194.db2.gz GTZKUPMGDRXBCQ-LJQANCHMSA-N 0 1 395.503 2.795 40 0 GFABMN COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3ccc4nc(C)[nH]c4c3)C2)c1 ZINC000072392176 205341548 /nfs/dbraw/zinc/34/15/48/205341548.db2.gz OSXSIVIIPPEYHF-HNNXBMFYSA-N 0 1 378.432 2.981 40 0 GFABMN C[C@H](CNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1 ZINC000225138925 206038999 /nfs/dbraw/zinc/03/89/99/206038999.db2.gz YXLLAENHPKEGIP-LLVKDONJSA-N 0 1 382.511 2.605 40 0 GFABMN CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2Cl)s1 ZINC000225527197 206054441 /nfs/dbraw/zinc/05/44/41/206054441.db2.gz UGJDZOBVRBGSQW-UHFFFAOYSA-N 0 1 381.266 2.994 40 0 GFABMN CCC(CC)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000225505850 206052883 /nfs/dbraw/zinc/05/28/83/206052883.db2.gz ZKKILCDGCPIUTK-UHFFFAOYSA-N 0 1 388.902 2.911 40 0 GFABMN CCCn1cc(C(=O)N2CCCC[C@H]2c2[nH]ncc2C(=O)N(CC)CC)cn1 ZINC000257246513 206167053 /nfs/dbraw/zinc/16/70/53/206167053.db2.gz IUKQIWHMPGXQOW-KRWDZBQOSA-N 0 1 386.500 2.866 40 0 GFABMN COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3ccco3)CC2)C1 ZINC000306125646 206198034 /nfs/dbraw/zinc/19/80/34/206198034.db2.gz CWUSSNLWYVXMFR-UHFFFAOYSA-N 0 1 397.435 2.704 40 0 GFABMN COc1cccc(NC(=O)c2cnc(NS(=O)(=O)c3ccc(C)cc3)nc2)c1 ZINC000408535112 533614170 /nfs/dbraw/zinc/61/41/70/533614170.db2.gz XYGODTPBFUQZQS-UHFFFAOYSA-N 0 1 398.444 2.847 40 0 GFABMN C[C@H](CN1CCc2c(nc(N3C[C@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335496 136168469 /nfs/dbraw/zinc/16/84/69/136168469.db2.gz FABMBFBEXQWRLX-IKGGRYGDSA-N 0 1 382.508 2.958 40 0 GFABMN CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2OCC)cc1 ZINC000409136952 528847022 /nfs/dbraw/zinc/84/70/22/528847022.db2.gz VRHGZOLWRQYHJF-UHFFFAOYSA-N 0 1 379.434 2.828 40 0 GFABMN OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccccc1Br ZINC000585292131 565104349 /nfs/dbraw/zinc/10/43/49/565104349.db2.gz FFEIKXJYVCGQOR-KBAYOESNSA-N 0 1 380.257 2.909 40 0 GFABMN Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)nc2c1CCC(=O)N2C ZINC000019741304 570212849 /nfs/dbraw/zinc/21/28/49/570212849.db2.gz URTPMQUGJRAYQY-CQSZACIVSA-N 0 1 396.495 2.560 40 0 GFABMN CC(C)(O)c1ccc2c(c1)CCN(c1cc(NCCCO)nc(C3CC3)n1)C2 ZINC000329029266 570213657 /nfs/dbraw/zinc/21/36/57/570213657.db2.gz PYQUGHONYIIOTP-UHFFFAOYSA-N 0 1 382.508 2.938 40 0 GFABMN COc1ccc(C(=O)N2CCC3(CC2)COCCN(Cc2cccnc2)C3)cc1 ZINC000096239893 570222191 /nfs/dbraw/zinc/22/21/91/570222191.db2.gz QKEFQEMTDLYMDF-UHFFFAOYSA-N 0 1 395.503 2.845 40 0 GFABMN CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4CC4CC4)[n-]n3c(=O)c2C1 ZINC000100233849 570269740 /nfs/dbraw/zinc/26/97/40/570269740.db2.gz ZSEMHWHTLCIVGF-LJQANCHMSA-N 0 1 397.523 2.913 40 0 GFABMN CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)N2CCN(C)CC2)c1=O ZINC000022697256 570529723 /nfs/dbraw/zinc/52/97/23/570529723.db2.gz FOFLFQJKMCCDOS-FQEVSTJZSA-N 0 1 387.549 2.941 40 0 GFABMN CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1OC ZINC000013678235 570772728 /nfs/dbraw/zinc/77/27/28/570772728.db2.gz LTUUKKIPAGPNJE-UHFFFAOYSA-N 0 1 388.367 2.874 40 0 GFABMN COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1sccc1C)CC3 ZINC000019238709 570967664 /nfs/dbraw/zinc/96/76/64/570967664.db2.gz ZGFRQMKIRZUIRZ-UHFFFAOYSA-N 0 1 385.489 2.842 40 0 GFABMN Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000019288963 570971014 /nfs/dbraw/zinc/97/10/14/570971014.db2.gz ZSMCXDUSUGHLTC-QGZVFWFLSA-N 0 1 379.508 2.919 40 0 GFABMN O=C(CCc1cc(=O)[n-]o1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000019346470 570978180 /nfs/dbraw/zinc/97/81/80/570978180.db2.gz KVZKNSWUBMBZFN-UHFFFAOYSA-N 0 1 386.839 2.863 40 0 GFABMN O=C(CN1CCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369317 570980501 /nfs/dbraw/zinc/98/05/01/570980501.db2.gz DMJRLICNUHHUCB-FQEVSTJZSA-N 0 1 394.519 2.923 40 0 GFABMN CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C(C)C)[nH]n3)ncc2C1 ZINC000019451847 570985563 /nfs/dbraw/zinc/98/55/63/570985563.db2.gz LBBJWFRDGRPOMX-LJQANCHMSA-N 0 1 396.495 2.595 40 0 GFABMN C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCCCN5)ncc4C3)ccc2O1 ZINC000019497964 570990494 /nfs/dbraw/zinc/99/04/94/570990494.db2.gz DTBKCMZUXJFLSG-LIRRHRJNSA-N 0 1 378.476 2.813 40 0 GFABMN CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C(C)C)CC4)CC1 ZINC000019501160 570992599 /nfs/dbraw/zinc/99/25/99/570992599.db2.gz KGDUYVGNXNEEJB-UHFFFAOYSA-N 0 1 385.512 2.708 40 0 GFABMN CCc1cc(=O)[nH]c([C@H]2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)n1 ZINC000019522491 570995244 /nfs/dbraw/zinc/99/52/44/570995244.db2.gz PLGICVPIRPGZQR-HNNXBMFYSA-N 0 1 387.480 2.738 40 0 GFABMN COCCc1ncc(CN2CCC(c3ccc(-c4cncnc4)cn3)CC2)cn1 ZINC000019688073 571028755 /nfs/dbraw/zinc/02/87/55/571028755.db2.gz RXNBBTZUKZKCNW-UHFFFAOYSA-N 0 1 390.491 2.897 40 0 GFABMN CCN(CC)C(=O)CN1CCC[C@@H]1c1ccc(-c2ccc(C(=O)NC)nc2)cn1 ZINC000019691808 571029785 /nfs/dbraw/zinc/02/97/85/571029785.db2.gz WFSUZKKJWAWWAC-HXUWFJFHSA-N 0 1 395.507 2.509 40 0 GFABMN Cc1c(NC(=O)CN2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)cnn1C ZINC000019715578 571037287 /nfs/dbraw/zinc/03/72/87/571037287.db2.gz BEZWNEMGPUYTDM-AWEZNQCLSA-N 0 1 384.459 2.637 40 0 GFABMN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000408607101 529895257 /nfs/dbraw/zinc/89/52/57/529895257.db2.gz QATSCOMAHIWGAA-LLVKDONJSA-N 0 1 398.868 2.663 40 0 GFABMN O=C(N[C@@H](Cc1cnc[nH]1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000006628860 204187345 /nfs/dbraw/zinc/18/73/45/204187345.db2.gz NSUWDHSSVSZBJZ-IBGZPJMESA-N 0 1 379.416 2.991 40 0 GFABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000012198645 204380598 /nfs/dbraw/zinc/38/05/98/204380598.db2.gz RXUXIRAXYYVFCP-UHFFFAOYSA-N 0 1 388.445 2.791 40 0 GFABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000026526933 204844815 /nfs/dbraw/zinc/84/48/15/204844815.db2.gz PLTNDLWPOUTNDA-UHFFFAOYSA-N 0 1 383.809 2.699 40 0 GFABMN COc1ccccc1-c1nccnc1[C@@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC000072358551 205334146 /nfs/dbraw/zinc/33/41/46/205334146.db2.gz MSYPPIPIPJLPSQ-QGZVFWFLSA-N 0 1 380.492 2.954 40 0 GFABMN Cc1ccc2oc(C(=O)N3CCC[C@@H](c4nnc5n4CCN(C)CC5)C3)cc2c1 ZINC000072370933 205336161 /nfs/dbraw/zinc/33/61/61/205336161.db2.gz KREUTIFGXAHXRV-MRXNPFEDSA-N 0 1 393.491 2.840 40 0 GFABMN O=C(c1cnc2ccccc2c1)N1CCC[C@@]2(C[C@H](CN3CCOCC3)CO2)C1 ZINC000096075562 205521989 /nfs/dbraw/zinc/52/19/89/205521989.db2.gz BPEQGNLDTATMLY-WZONZLPQSA-N 0 1 395.503 2.578 40 0 GFABMN CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(C(=O)CN(C)C)CC2 ZINC000257281424 206171542 /nfs/dbraw/zinc/17/15/42/206171542.db2.gz OPDKURXDQMLJFP-FQEVSTJZSA-N 0 1 385.552 2.656 40 0 GFABMN Cc1nc2cc([C@@H]3CCC[N@H+]3CC3CC3)[n-]n2c(=O)c1CCC(=O)N1CCCC1 ZINC000257254844 206167816 /nfs/dbraw/zinc/16/78/16/206167816.db2.gz KEXNKOZASDJFQP-IBGZPJMESA-N 0 1 397.523 2.845 40 0 GFABMN CN(C(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257336976 206181133 /nfs/dbraw/zinc/18/11/33/206181133.db2.gz YQWIDXFEGLVVBC-GPMSIDNRSA-N 0 1 387.871 2.568 40 0 GFABMN COc1cccc(CN2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c1 ZINC000306139382 206204426 /nfs/dbraw/zinc/20/44/26/206204426.db2.gz SVWCZTZYFSVKMK-FCHUYYIVSA-N 0 1 388.471 2.973 40 0 GFABMN c1ccc(Cn2nnc3c2ncnc3N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057709721 136153815 /nfs/dbraw/zinc/15/38/15/136153815.db2.gz IQRFRFCVRPZCRZ-UHFFFAOYSA-N 0 1 385.475 2.592 40 0 GFABMN CC1CCN(c2nc3c(c(=O)[nH]2)CN(CC2=Cc4ccccc4OC2)CC3)CC1 ZINC000072389570 136169277 /nfs/dbraw/zinc/16/92/77/136169277.db2.gz XEDYQBMGKOEJCQ-UHFFFAOYSA-N 0 1 392.503 2.840 40 0 GFABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1Cl ZINC000409380816 534824913 /nfs/dbraw/zinc/82/49/13/534824913.db2.gz INNIVWSFYHLHHA-UHFFFAOYSA-N 0 1 394.880 2.922 40 0 GFABMN O=C(Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1)c1ccccc1 ZINC000225206020 553058930 /nfs/dbraw/zinc/05/89/30/553058930.db2.gz HMJLRWGCWUJEFS-UHFFFAOYSA-N 0 1 380.495 2.649 40 0 GFABMN CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)CN(C)C)C2)C3)cc1 ZINC000004237470 560197768 /nfs/dbraw/zinc/19/77/68/560197768.db2.gz VBDBIFDBWQAPIY-DOTOQJQBSA-N 0 1 397.544 2.745 40 0 biogenic,in-vitro GFABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000057314165 570360406 /nfs/dbraw/zinc/36/04/06/570360406.db2.gz IMCNSIPAROGRAI-UHFFFAOYSA-N 0 1 394.686 2.534 40 0 GFABMN COc1cccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n[nH]2)c1 ZINC000038490011 570421817 /nfs/dbraw/zinc/42/18/17/570421817.db2.gz ZSYDXUJUQQCHLR-GOEBONIOSA-N 0 1 390.443 2.507 40 0 GFABMN CCn1c2cc(C)c(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2oc1=O ZINC000223356195 570461274 /nfs/dbraw/zinc/46/12/74/570461274.db2.gz HKBDRYOKKVNOTQ-UHFFFAOYSA-N 0 1 392.433 2.741 40 0 GFABMN CC(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc3ccccc32)s1 ZINC000225203813 570556069 /nfs/dbraw/zinc/55/60/69/570556069.db2.gz AJRWOWWFNXPWHW-UHFFFAOYSA-N 0 1 390.490 2.561 40 0 GFABMN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019079272 570955910 /nfs/dbraw/zinc/95/59/10/570955910.db2.gz NUQUBVNOSDOERA-IFXJQAMLSA-N 0 1 384.455 2.783 40 0 GFABMN CNc1ncc(CN[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cn1 ZINC000019285363 570969210 /nfs/dbraw/zinc/96/92/10/570969210.db2.gz NDMWNTUXHMTMCZ-QGZVFWFLSA-N 0 1 384.871 2.637 40 0 GFABMN O=C(CN1CCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000019369266 570980663 /nfs/dbraw/zinc/98/06/63/570980663.db2.gz HFNLFQADWKWMRD-IBGZPJMESA-N 0 1 380.492 2.533 40 0 GFABMN COc1cc(CN2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc(OC)c1OC ZINC000019549737 571000280 /nfs/dbraw/zinc/00/02/80/571000280.db2.gz RUNHHBIRZCFCIT-MRXNPFEDSA-N 0 1 399.491 2.595 40 0 GFABMN Fc1ccc(OC[C@H]2CCCN(Cc3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000019657881 571024442 /nfs/dbraw/zinc/02/44/42/571024442.db2.gz CGVCPTCQODELHR-KRWDZBQOSA-N 0 1 386.471 2.743 40 0 GFABMN CN1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC(=O)CCc2ccccc2)CC1 ZINC000408529722 529777027 /nfs/dbraw/zinc/77/70/27/529777027.db2.gz HSBZFQLHHYHTME-UHFFFAOYSA-N 0 1 379.464 2.592 40 0 GFABMN COc1ccc(CNC2=N[C@H]([C@H]3CC=CCC3)n3c(=O)cc(C)nc3N2)cc1 ZINC000009426311 204310735 /nfs/dbraw/zinc/31/07/35/204310735.db2.gz IVIIJBQRVGWIQK-LPHOPBHVSA-N 0 1 379.464 2.987 40 0 GFABMN COCCc1ncc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cn1 ZINC000012329048 204399400 /nfs/dbraw/zinc/39/94/00/204399400.db2.gz CCFYUFOTUDPNGM-QIDMFYOTSA-N 0 1 383.492 2.689 40 0 GFABMN CN(C(=O)c1nccc2ccccc21)[C@H]1CCCN(C(=O)c2ccn[nH]2)CC1 ZINC000019749664 204680012 /nfs/dbraw/zinc/68/00/12/204680012.db2.gz QRRFVMPVXNOZCA-INIZCTEOSA-N 0 1 377.448 2.725 40 0 GFABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000224260988 206018151 /nfs/dbraw/zinc/01/81/51/206018151.db2.gz AWMGQOXRZYMYOZ-SCRDCRAPSA-N 0 1 392.506 2.566 40 0 GFABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)s1 ZINC000225018548 206033824 /nfs/dbraw/zinc/03/38/24/206033824.db2.gz GTUPWCHVVDESIU-UHFFFAOYSA-N 0 1 396.538 2.921 40 0 GFABMN O=C([O-])c1cc(C[N@H+]2CCC[C@H](Cc3cncc(-c4ncc[nH]4)n3)C2)ccc1O ZINC000257287535 206172612 /nfs/dbraw/zinc/17/26/12/206172612.db2.gz PQJJPXYFXUFFMT-CQSZACIVSA-N 0 1 393.447 2.725 40 0 GFABMN O=C([O-])COc1ccccc1C[N@H+]1CCC[C@@H](c2cncc(-c3ncc[nH]3)n2)C1 ZINC000257285214 206172645 /nfs/dbraw/zinc/17/26/45/206172645.db2.gz PGCWTFFTUVRRQY-OAHLLOKOSA-N 0 1 393.447 2.710 40 0 GFABMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3ncc[nH]3)C2)cc1 ZINC000257299183 206174232 /nfs/dbraw/zinc/17/42/32/206174232.db2.gz RPATUUBHLKALEM-INIZCTEOSA-N 0 1 393.447 2.710 40 0 GFABMN Cc1nn(C)cc1CN1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 ZINC000257310312 206175895 /nfs/dbraw/zinc/17/58/95/206175895.db2.gz UEPBQTVWJHSDTM-OAQYLSRUSA-N 0 1 399.470 2.786 40 0 GFABMN COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2ccnn2C)cc1 ZINC000257224243 206162925 /nfs/dbraw/zinc/16/29/25/206162925.db2.gz FAXWXGQFYWYNNC-RTWAWAEBSA-N 0 1 382.508 2.974 40 0 GFABMN CCn1cc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 ZINC000306142918 206207748 /nfs/dbraw/zinc/20/77/48/206207748.db2.gz XOBXXPYKTDDHQV-SFHVURJKSA-N 0 1 379.512 2.926 40 0 GFABMN COC(=O)c1ccc([C@H]2CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)CN2)cc1 ZINC000306145483 206208485 /nfs/dbraw/zinc/20/84/85/206208485.db2.gz GPNXCGBLAHTCQJ-OXQOHEQNSA-N 0 1 376.453 2.514 40 0 GFABMN CN1CC[C@@]2(C1)CN(C(=O)c1ccnnc1)Cc1sc(-c3ccccc3)nc12 ZINC000306128437 206198450 /nfs/dbraw/zinc/19/84/50/206198450.db2.gz HAHRJJCEBVKIPS-OAQYLSRUSA-N 0 1 391.500 2.829 40 0 GFABMN CCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1NC(C)=O ZINC000408562052 528587336 /nfs/dbraw/zinc/58/73/36/528587336.db2.gz XJVKOAFLBNAJAE-UHFFFAOYSA-N 0 1 394.449 2.862 40 0 GFABMN COc1cc2c(cc1OC)CN(c1cc(N[C@H](C)CO)nc(C(C)C)n1)CC2 ZINC000329067989 570216455 /nfs/dbraw/zinc/21/64/55/570216455.db2.gz YLOOALLAINEKQP-CQSZACIVSA-N 0 1 386.496 2.973 40 0 GFABMN COc1ncccc1CN1CCC2(C[C@@H](NC(=O)c3cccs3)CO2)CC1 ZINC000096221247 570220138 /nfs/dbraw/zinc/22/01/38/570220138.db2.gz LJEAVEOJEXVPTR-MRXNPFEDSA-N 0 1 387.505 2.705 40 0 GFABMN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1N1CCN(c2ncccn2)CC1 ZINC000585289551 570257446 /nfs/dbraw/zinc/25/74/46/570257446.db2.gz JTDOJHAXMMBOMS-IPMKNSEASA-N 0 1 388.899 2.613 40 0 GFABMN CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000022467788 570317925 /nfs/dbraw/zinc/31/79/25/570317925.db2.gz HPZANWHPNNPPDR-NRFANRHFSA-N 0 1 382.504 2.837 40 0 GFABMN O=C([O-])[C@H](CC(=O)Nc1cccc(Cl)c1)NCC[NH2+]Cc1ccccc1 ZINC000022592403 570322531 /nfs/dbraw/zinc/32/25/31/570322531.db2.gz YAELKNUBNSQHAA-KRWDZBQOSA-N 0 1 375.856 2.501 40 0 GFABMN CC(C)(C)CN1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 ZINC000604381923 570352732 /nfs/dbraw/zinc/35/27/32/570352732.db2.gz VNSAMIKJUXNOGJ-GOSISDBHSA-N 0 1 391.943 2.597 40 0 biogenic,in-vitro GFABMN CCOC(=O)C1C(CN2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057731093 570371801 /nfs/dbraw/zinc/37/18/01/570371801.db2.gz CIHMSIAVMKQSTN-IFXJQAMLSA-N 0 1 387.480 2.741 40 0 GFABMN COc1cccc([C@@H](CNC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)N(C)C)c1 ZINC000047681734 570410805 /nfs/dbraw/zinc/41/08/05/570410805.db2.gz XXLWZPKHPDCLJA-BEFIOADNSA-N 0 1 395.503 2.632 40 0 GFABMN COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000006288097 570740820 /nfs/dbraw/zinc/74/08/20/570740820.db2.gz FRWRZMUARJAUJO-UHFFFAOYSA-N 0 1 384.505 2.574 40 0 GFABMN COc1cccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)c1 ZINC000013585740 570853312 /nfs/dbraw/zinc/85/33/12/570853312.db2.gz LLVIFDWPFWUDAQ-UHFFFAOYSA-N 0 1 392.458 2.535 40 0 GFABMN O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3cccnc3)C2)no1 ZINC000019339102 570976647 /nfs/dbraw/zinc/97/66/47/570976647.db2.gz LFFHSGLBODOBDS-SFHVURJKSA-N 0 1 377.448 2.774 40 0 GFABMN COc1cc(CN2CCC3(CC2)CNC(=O)c2ccccc2O3)cc(OC)c1 ZINC000019595094 571021045 /nfs/dbraw/zinc/02/10/45/571021045.db2.gz PGUSGZHRJITRAE-UHFFFAOYSA-N 0 1 382.460 2.861 40 0 GFABMN Cn1cc(C(=O)N2CCC[C@@H]2c2cc(CCOc3ccccc3F)[nH]n2)cn1 ZINC000019703596 571031454 /nfs/dbraw/zinc/03/14/54/571031454.db2.gz QLPDSEGQGQKCSR-GOSISDBHSA-N 0 1 383.427 2.881 40 0 GFABMN COC(=O)Nc1ccc(S(=O)(=O)Nc2c3nsnc3ccc2C)cc1 ZINC000005260186 204121578 /nfs/dbraw/zinc/12/15/78/204121578.db2.gz WASPUDAHGAUYIV-UHFFFAOYSA-N 0 1 378.435 2.979 40 0 GFABMN CN(C)[C@@H](CNC(=O)[C@]1(C)CC(c2ccccc2)=NO1)c1ccc2c(c1)OCO2 ZINC000012203671 204382645 /nfs/dbraw/zinc/38/26/45/204382645.db2.gz VJCPAESDNBZILW-AVRDEDQJSA-N 0 1 395.459 2.718 40 0 GFABMN C[C@@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCCCN5)ncc4C3)ccc2O1 ZINC000019497963 204647485 /nfs/dbraw/zinc/64/74/85/204647485.db2.gz DTBKCMZUXJFLSG-KUHUBIRLSA-N 0 1 378.476 2.813 40 0 GFABMN Cc1ncsc1C(=O)NCCn1nc(-c2ccccc2F)cc1CN(C)C ZINC000019562299 204656025 /nfs/dbraw/zinc/65/60/25/204656025.db2.gz KIWJQTNDDKBBIK-UHFFFAOYSA-N 0 1 387.484 2.946 40 0 GFABMN Nc1cc(-c2cn[nH]c2[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccn1 ZINC000072360796 205334429 /nfs/dbraw/zinc/33/44/29/205334429.db2.gz IHNFPHMRQORNSH-OAHLLOKOSA-N 0 1 383.477 2.622 40 0 GFABMN N[C@H](C(=O)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1)c1ccccc1 ZINC000072360776 205334892 /nfs/dbraw/zinc/33/48/92/205334892.db2.gz VKPUWQKODAYLQW-FQEVSTJZSA-N 0 1 376.464 2.954 40 0 GFABMN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](c3cc(CCO)n[nH]3)C2)o1 ZINC000257309071 206177035 /nfs/dbraw/zinc/17/70/35/206177035.db2.gz TZKDMKVJULPMBX-AWEZNQCLSA-N 0 1 381.432 2.892 40 0 GFABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](c3cc(CCO)[nH]n3)C2)o1 ZINC000257309071 206177040 /nfs/dbraw/zinc/17/70/40/206177040.db2.gz TZKDMKVJULPMBX-AWEZNQCLSA-N 0 1 381.432 2.892 40 0 GFABMN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](c3cc(CCO)[nH]n3)C2)o1 ZINC000257309071 206177045 /nfs/dbraw/zinc/17/70/45/206177045.db2.gz TZKDMKVJULPMBX-AWEZNQCLSA-N 0 1 381.432 2.892 40 0 GFABMN CN(C)CC(=O)N1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 ZINC000257313762 206177762 /nfs/dbraw/zinc/17/77/62/206177762.db2.gz UUAFHPMMILUZIX-LBPRGKRZSA-N 0 1 394.401 2.512 40 0 GFABMN CCN1C(=O)CC[C@@H](C(=O)N2CCN(C(C)C)CC2)[C@@H]1c1ccccc1OC ZINC000257261776 206167300 /nfs/dbraw/zinc/16/73/00/206167300.db2.gz LITHMCKADDKLAE-NQIIRXRSSA-N 0 1 387.524 2.547 40 0 GFABMN CCn1cc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 ZINC000306142917 206206507 /nfs/dbraw/zinc/20/65/07/206206507.db2.gz XOBXXPYKTDDHQV-GOSISDBHSA-N 0 1 379.512 2.926 40 0 GFABMN CN1CC2(CCN(Cc3cccnc3)CC2)c2nc(C(C)(C)C)ncc2C1=O ZINC000306126745 206198049 /nfs/dbraw/zinc/19/80/49/206198049.db2.gz FDVVLPPHAURZKG-UHFFFAOYSA-N 0 1 379.508 2.789 40 0 GFABMN O=C1CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@H]2N1Cc1ccc(F)cc1 ZINC000067897181 222167297 /nfs/dbraw/zinc/16/72/97/222167297.db2.gz JWPHLGPHPITXMG-RTWAWAEBSA-N 0 1 379.435 2.919 40 0 biogenic,in-vitro GFABMN CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1C ZINC000408608727 528443836 /nfs/dbraw/zinc/44/38/36/528443836.db2.gz RYZKXSUWJBPAHE-UHFFFAOYSA-N 0 1 390.461 2.722 40 0 GFABMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(C)[nH]1)CCCC2 ZINC000011658236 551107118 /nfs/dbraw/zinc/10/71/18/551107118.db2.gz ZVCCPDRWUUGEDG-UHFFFAOYSA-N 0 1 380.495 2.961 40 0 GFABMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C)n[nH]1)CCCC2 ZINC000011658236 551107119 /nfs/dbraw/zinc/10/71/19/551107119.db2.gz ZVCCPDRWUUGEDG-UHFFFAOYSA-N 0 1 380.495 2.961 40 0 GFABMN COC(=O)c1ccc2c(c1)CCN(c1cc(C)nc(N[C@@H](CO)C(C)C)n1)C2 ZINC000329016436 570212586 /nfs/dbraw/zinc/21/25/86/570212586.db2.gz NGKFMRWIUQNWGQ-SFHVURJKSA-N 0 1 384.480 2.563 40 0 GFABMN CCN1C[C@@]2(CC1=O)CN(Cc1ccc(C)s1)CCN(C(=O)C(C)C)C2 ZINC000097952787 570261470 /nfs/dbraw/zinc/26/14/70/570261470.db2.gz RXXMMQACVFTBDX-HXUWFJFHSA-N 0 1 377.554 2.595 40 0 GFABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NC(C)(C)Cc2ccccc2)s1 ZINC000223019284 570437617 /nfs/dbraw/zinc/43/76/17/570437617.db2.gz GZLUKWORYSFZFQ-UHFFFAOYSA-N 0 1 396.538 2.822 40 0 GFABMN CC(=O)Nc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 ZINC000223347874 570460767 /nfs/dbraw/zinc/46/07/67/570460767.db2.gz GPRASGVGDWEUGT-UHFFFAOYSA-N 0 1 395.824 2.544 40 0 GFABMN COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)c1 ZINC000019079280 570955743 /nfs/dbraw/zinc/95/57/43/570955743.db2.gz RLWPNOPZVHVDIG-QRWLVFNGSA-N 0 1 396.491 2.652 40 0 GFABMN Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C(C)C)CC2 ZINC000019237067 570966967 /nfs/dbraw/zinc/96/69/67/570966967.db2.gz DHMATQGMYYVBSO-HXUWFJFHSA-N 0 1 394.519 2.751 40 0 GFABMN Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C(C)C)CC2 ZINC000019237067 570966972 /nfs/dbraw/zinc/96/69/72/570966972.db2.gz DHMATQGMYYVBSO-HXUWFJFHSA-N 0 1 394.519 2.751 40 0 GFABMN O=C(c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1)N1CCC[C@@H](O)C1 ZINC000019293793 570973244 /nfs/dbraw/zinc/97/32/44/570973244.db2.gz BGMQHBFNTMPFGB-GOSISDBHSA-N 0 1 387.455 2.790 40 0 GFABMN O=C(CCn1cnc2ccccc21)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019376698 570982211 /nfs/dbraw/zinc/98/22/11/570982211.db2.gz OSVSBAQWOMZGFK-IBGZPJMESA-N 0 1 390.491 2.616 40 0 GFABMN CC(C)N1CCc2nc3cc(C(=O)N4CCC[C@H](C)C4)ccc3c(=O)n2CC1 ZINC000019496477 570989336 /nfs/dbraw/zinc/98/93/36/570989336.db2.gz SGOVPTADLNHBAA-INIZCTEOSA-N 0 1 382.508 2.535 40 0 GFABMN CCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019498745 570991193 /nfs/dbraw/zinc/99/11/93/570991193.db2.gz OSRGAFXFLDWZES-OAHLLOKOSA-N 0 1 397.523 2.852 40 0 GFABMN CCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](CC1CC1)CC3 ZINC000019498821 570991835 /nfs/dbraw/zinc/99/18/35/570991835.db2.gz XDHPUJVNJSWYBV-GOSISDBHSA-N 0 1 383.496 2.667 40 0 GFABMN COc1cc2c(cc1OC)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)NCC2 ZINC000019550706 571000861 /nfs/dbraw/zinc/00/08/61/571000861.db2.gz BABRKXAUXXTHBB-FQEVSTJZSA-N 0 1 380.400 2.509 40 0 GFABMN Cc1c(CN2CCC[C@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cnn1C ZINC000019553650 571002099 /nfs/dbraw/zinc/00/20/99/571002099.db2.gz UOSKGSDQLDNTMQ-KRWDZBQOSA-N 0 1 385.512 2.968 40 0 GFABMN COc1cccc(CN2CCC(c3cc(C(=O)N4CCC[C@H](O)C4)on3)CC2)c1 ZINC000019564902 571006823 /nfs/dbraw/zinc/00/68/23/571006823.db2.gz ZPBJIOQGENTYQT-SFHVURJKSA-N 0 1 399.491 2.660 40 0 GFABMN COc1cccc(CN2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)c1 ZINC000019564915 571006858 /nfs/dbraw/zinc/00/68/58/571006858.db2.gz XWHVZBCVYUIJLR-GOSISDBHSA-N 0 1 399.491 2.972 40 0 GFABMN CN(C)C(=O)CN1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1 ZINC000019703622 571031361 /nfs/dbraw/zinc/03/13/61/571031361.db2.gz FOVXLFCKGAAPGR-GOSISDBHSA-N 0 1 376.888 2.910 40 0 GFABMN O=C(Nc1cccc(-c2nnc[nH]2)c1)[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000019717100 571039018 /nfs/dbraw/zinc/03/90/18/571039018.db2.gz YEZYEGGCOIVQTE-SFHVURJKSA-N 0 1 381.411 2.623 40 0 GFABMN Cn1cc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)cn1 ZINC000096053423 571098080 /nfs/dbraw/zinc/09/80/80/571098080.db2.gz DKNOERAYLLUZQH-GOSISDBHSA-N 0 1 394.519 2.990 40 0 GFABMN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccc(C)o1)CCC2 ZINC000096056057 571098141 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NYMONVIKAMNINQ-AWEZNQCLSA-N 0 1 375.494 2.827 40 0 GFABMN COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3ccc4nc(C)[nH]c4c3)C2)c1 ZINC000072392175 211110226 /nfs/dbraw/zinc/11/02/26/211110226.db2.gz OSXSIVIIPPEYHF-OAHLLOKOSA-N 0 1 378.432 2.981 40 0 GFABMN Cc1[nH]c2c(cccc2C)c1CC(=O)N1CCn2c(nnc2[C@@H]2CCCCN2)C1 ZINC000072374050 211105565 /nfs/dbraw/zinc/10/55/65/211105565.db2.gz KTPGZUGWJDCBGA-SFHVURJKSA-N 0 1 392.507 2.776 40 0 GFABMN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000072346126 211095092 /nfs/dbraw/zinc/09/50/92/211095092.db2.gz SKPFHOWHXJTDMQ-MRXNPFEDSA-N 0 1 383.471 2.667 40 0 GFABMN COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)n2)c1 ZINC000072359676 211100455 /nfs/dbraw/zinc/10/04/55/211100455.db2.gz JPXZFAUBVJUKNU-GOSISDBHSA-N 0 1 380.492 2.954 40 0 GFABMN CC(C)c1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)N(C)C)nn2cnnc12 ZINC000019662767 210278822 /nfs/dbraw/zinc/27/88/22/210278822.db2.gz JRFVVKNNTUFTGU-KRWDZBQOSA-N 0 1 386.887 2.934 40 0 GFABMN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000408554493 529113637 /nfs/dbraw/zinc/11/36/37/529113637.db2.gz SJMYYJQLKWMMQS-UHFFFAOYSA-N 0 1 378.406 2.842 40 0 GFABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC2CCCCC2)s1 ZINC000222861124 553055682 /nfs/dbraw/zinc/05/56/82/553055682.db2.gz FRTKZLTYPJQXPC-UHFFFAOYSA-N 0 1 380.495 2.710 40 0 GFABMN CCNC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccccc2OC)nn1C ZINC000015672391 560096261 /nfs/dbraw/zinc/09/62/61/560096261.db2.gz DYHVNLKBEDVOEI-JZXOWHBKSA-N 0 1 397.523 2.593 40 0 biogenic,in-vitro GFABMN Cc1ccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCCc3ccccc3)CC2)cc1 ZINC000585271486 570238220 /nfs/dbraw/zinc/23/82/20/570238220.db2.gz AFIVBAFMTBCALM-XMMPIXPASA-N 0 1 396.531 2.950 40 0 GFABMN Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCCc3ccccc3)CC2)cc1 ZINC000585271486 570238221 /nfs/dbraw/zinc/23/82/21/570238221.db2.gz AFIVBAFMTBCALM-XMMPIXPASA-N 0 1 396.531 2.950 40 0 GFABMN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1N1CCN(c2ncccn2)CC1 ZINC000585290566 570257363 /nfs/dbraw/zinc/25/73/63/570257363.db2.gz YGTRPKLCTQBBPP-IPMKNSEASA-N 0 1 388.899 2.613 40 0 GFABMN CC(C)CCN1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 ZINC000604381995 570353142 /nfs/dbraw/zinc/35/31/42/570353142.db2.gz YDMKEGRPGKOCNA-LJQANCHMSA-N 0 1 391.943 2.597 40 0 biogenic,in-vitro GFABMN CSc1nc(C)c(Br)c(Sc2nc(N)nc3[nH]cnc32)n1 ZINC000008615347 570535533 /nfs/dbraw/zinc/53/55/33/570535533.db2.gz BYOLTVLZUHPIHB-UHFFFAOYSA-N 0 1 384.288 2.669 40 0 GFABMN COC(=O)c1ccccc1NC(=S)N1CCN(C2Cc3ccccc3C2)CC1 ZINC000225212489 570556546 /nfs/dbraw/zinc/55/65/46/570556546.db2.gz ZCCVZKIFMMYIAK-UHFFFAOYSA-N 0 1 395.528 2.955 40 0 GFABMN O=C(NC[C@H]1COc2ccccc2O1)C1CCN(Cc2ccccc2F)CC1 ZINC000225270145 570561131 /nfs/dbraw/zinc/56/11/31/570561131.db2.gz FFSWGERCVCODND-SFHVURJKSA-N 0 1 384.451 2.994 40 0 GFABMN Cc1cc2nc(C3CCN(C(=O)c4ccn[nH]4)CC3)cc(C(F)(F)F)n2n1 ZINC000012221542 570627941 /nfs/dbraw/zinc/62/79/41/570627941.db2.gz XAZGZGXATQOPAY-UHFFFAOYSA-N 0 1 378.358 2.799 40 0 GFABMN Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)[C@H](CN(C)C)CO2 ZINC000012406652 570654025 /nfs/dbraw/zinc/65/40/25/570654025.db2.gz JLTNICRPKMLUAX-QGZVFWFLSA-N 0 1 378.469 2.648 40 0 GFABMN O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@@]2(CCN2C[C@@H]2CCCO2)C1 ZINC000585101709 570926703 /nfs/dbraw/zinc/92/67/03/570926703.db2.gz AOKZISPLNXBFRT-MAUKXSAKSA-N 0 1 383.414 2.960 40 0 GFABMN CCCCN(C)CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1 ZINC000019502223 210254100 /nfs/dbraw/zinc/25/41/00/210254100.db2.gz GJEIKUYNKBYDET-IBGZPJMESA-N 0 1 381.480 2.630 40 0 GFABMN O=C(c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)no1)N1CCC(O)CC1 ZINC000019334014 210241928 /nfs/dbraw/zinc/24/19/28/210241928.db2.gz WPIDWYXHDVDHCT-INIZCTEOSA-N 0 1 387.455 2.790 40 0 GFABMN CC(=O)N1CCc2nc(C3CCN(CCOc4ccccc4F)CC3)ncc2C1 ZINC000019018866 210224195 /nfs/dbraw/zinc/22/41/95/210224195.db2.gz VAPLYHOWNUUZJK-UHFFFAOYSA-N 0 1 398.482 2.779 40 0 GFABMN O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019014524 210221889 /nfs/dbraw/zinc/22/18/89/210221889.db2.gz NOFBMCPUYPLBQD-INIZCTEOSA-N 0 1 384.524 2.989 40 0 GFABMN Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCC[NH+](C)C)ccc1C ZINC000013670271 210078441 /nfs/dbraw/zinc/07/84/41/210078441.db2.gz WULVERHZLFILES-UHFFFAOYSA-N 0 1 389.521 2.786 40 0 GFABMN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)NC(C)C)n2)cc1 ZINC000015675991 291122109 /nfs/dbraw/zinc/12/21/09/291122109.db2.gz CGAOPTBATOPMRQ-INIZCTEOSA-N 0 1 382.424 2.686 40 0 biogenic,in-vitro GFABMN Cn1cc(CN2CC[C@]3(C2)CN(C(=O)c2ccsc2)c2cccnc23)cn1 ZINC000306128766 212046256 /nfs/dbraw/zinc/04/62/56/212046256.db2.gz HJYNDDQNTHWOHR-FQEVSTJZSA-N 0 1 379.489 2.681 40 0 GFABMN Clc1ccccc1OCCc1cc([C@H]2CN(Cc3ncc[nH]3)CCO2)n[nH]1 ZINC000257340467 212027504 /nfs/dbraw/zinc/02/75/04/212027504.db2.gz ZGGNUJINTZEQRC-GOSISDBHSA-N 0 1 387.871 2.981 40 0 GFABMN COc1cc2c(cc1OC)CN(c1cc(N[C@@H](C)CO)nc(C(C)C)n1)CC2 ZINC000329067988 209158718 /nfs/dbraw/zinc/15/87/18/209158718.db2.gz YLOOALLAINEKQP-AWEZNQCLSA-N 0 1 386.496 2.973 40 0 GFABMN Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000257258272 212012689 /nfs/dbraw/zinc/01/26/89/212012689.db2.gz KTCLQVJKOXLEOC-CQSZACIVSA-N 0 1 395.467 2.557 40 0 GFABMN Cc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](C)CO)n1 ZINC000329036921 209158034 /nfs/dbraw/zinc/15/80/34/209158034.db2.gz RLDSAXDSOABMOF-GFCCVEGCSA-N 0 1 377.286 2.903 40 0 GFABMN CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)CN(C)C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257231005 212007439 /nfs/dbraw/zinc/00/74/39/212007439.db2.gz GEUJOUUJACJAII-KHYDEXNFSA-N 0 1 383.536 2.550 40 0 GFABMN O=C(CN1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCOCC1 ZINC000072348718 211095747 /nfs/dbraw/zinc/09/57/47/211095747.db2.gz JUUVNQJIKAWEMO-GOSISDBHSA-N 0 1 383.467 2.926 40 0 GFABMN Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1nnc3n1CCN(C)CC3)CCCC2 ZINC000019710764 210286404 /nfs/dbraw/zinc/28/64/04/210286404.db2.gz HRFMKBRSFKZAMW-MRXNPFEDSA-N 0 1 383.496 2.524 40 0 GFABMN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@H]1c1nnc2n1CCN(C)CC2 ZINC000019710766 210285784 /nfs/dbraw/zinc/28/57/84/210285784.db2.gz NCFQARNXVBHHSG-QGZVFWFLSA-N 0 1 396.470 2.672 40 0 GFABMN Cc1nc(N2CCCCC2)ncc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000019714790 210285618 /nfs/dbraw/zinc/28/56/18/210285618.db2.gz ZXYDSDHJAUKRFS-UHFFFAOYSA-N 0 1 394.523 2.565 40 0 GFABMN O=C(CN1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1)N1CCCC1 ZINC000019703667 210284584 /nfs/dbraw/zinc/28/45/84/210284584.db2.gz JTQAYQCWUHAZKL-IBGZPJMESA-N 0 1 386.471 2.930 40 0 GFABMN Cc1nn(CC(C)C)cc1S(=O)(=O)NCCc1nc2ccc(Cl)cc2[nH]1 ZINC000019584276 210270520 /nfs/dbraw/zinc/27/05/20/210270520.db2.gz MTFPANNMPLOWTA-UHFFFAOYSA-N 0 1 395.916 2.898 40 0 GFABMN CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccc4nccnc4c2)CC3)CC1 ZINC000012183092 221162635 /nfs/dbraw/zinc/16/26/35/221162635.db2.gz LWLQUFNGNSPDTE-UHFFFAOYSA-N 0 1 390.491 2.508 40 0 GFABMN COC(=O)c1cccc(Cn2cc(/C=C3/NC(=O)NC3=O)c3ccccc32)c1 ZINC000408544098 534267207 /nfs/dbraw/zinc/26/72/07/534267207.db2.gz UREZUBWXDFJGRY-LICLKQGHSA-N 0 1 375.384 2.657 40 0 GFABMN Cc1nc(C(N)=S)sc1C(=O)C=C(O)C(=O)Nc1cccc(Cl)c1C ZINC000102959402 570293361 /nfs/dbraw/zinc/29/33/61/570293361.db2.gz ZOEBERHGBBUXLX-UHFFFAOYSA-N 0 1 395.893 2.828 40 0 GFABMN O=C(CN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000035315655 570469581 /nfs/dbraw/zinc/46/95/81/570469581.db2.gz PMSVJCFHGSMZLK-VSOVRNOCSA-N 0 1 380.444 2.868 40 0 GFABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000000675434 570474712 /nfs/dbraw/zinc/47/47/12/570474712.db2.gz IFASGLVEOXFDIW-UHFFFAOYSA-N 0 1 383.433 2.542 40 0 GFABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)s2)cc1 ZINC000224229345 570504818 /nfs/dbraw/zinc/50/48/18/570504818.db2.gz LUXPZZFHQHZNBM-IACUBPJLSA-N 0 1 392.506 2.566 40 0 GFABMN CN(C)Cc1cc(-c2ccc(CNC(=O)c3n[nH]c4c3CCCC4)cc2)nn1C ZINC000019288883 210238134 /nfs/dbraw/zinc/23/81/34/210238134.db2.gz GWHJHHGQUISWLL-UHFFFAOYSA-N 0 1 392.507 2.681 40 0 GFABMN CNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)ccc1OC ZINC000013680265 210077649 /nfs/dbraw/zinc/07/76/49/210077649.db2.gz HAAMJIZINLUDEU-UHFFFAOYSA-N 0 1 384.841 2.518 40 0 GFABMN COC(=O)c1ccc([C@@H]2CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CN2)cc1 ZINC000306145481 212056998 /nfs/dbraw/zinc/05/69/98/212056998.db2.gz GPNXCGBLAHTCQJ-JXFKEZNVSA-N 0 1 376.453 2.514 40 0 GFABMN Cc1cncc(C(=O)N2CC3(C2)C[C@@H](COCc2ccccn2)CCN3C)c1 ZINC000306145169 212056521 /nfs/dbraw/zinc/05/65/21/212056521.db2.gz ZZWJSZILGREJOJ-SFHVURJKSA-N 0 1 380.492 2.538 40 0 GFABMN O=C([O-])COc1ccccc1C[N@H+]1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257270986 212014491 /nfs/dbraw/zinc/01/44/91/212014491.db2.gz MWKLZNGZAIFMDA-MRXNPFEDSA-N 0 1 393.447 2.710 40 0 GFABMN OCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329070830 209159043 /nfs/dbraw/zinc/15/90/43/209159043.db2.gz ZKAFRLTZDUHGPP-UHFFFAOYSA-N 0 1 392.246 2.543 40 0 GFABMN Cc1nc2ccc(CCC(=O)N[C@@H]3CCC[C@@H](n4ccnc4C)[C@@H]3O)cc2[nH]1 ZINC000257262108 212012792 /nfs/dbraw/zinc/01/27/92/212012792.db2.gz LKBQPNDGAFTAPH-YFVAEKQCSA-N 0 1 381.480 2.580 40 0 GFABMN CN(C)C(=O)c1cn[nH]c1[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000257211589 212002877 /nfs/dbraw/zinc/00/28/77/212002877.db2.gz BZLBTBADXWHLQT-OAHLLOKOSA-N 0 1 396.900 2.681 40 0 GFABMN COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@H](C)CO)nc(C(C)C)n1)C2 ZINC000328999387 209155611 /nfs/dbraw/zinc/15/56/11/209155611.db2.gz JWYGHGPUZZURLN-CQSZACIVSA-N 0 1 384.480 2.742 40 0 GFABMN COc1ncccc1CN1CCC2(C[C@H](NC(=O)c3cccs3)CO2)CC1 ZINC000096221245 211319180 /nfs/dbraw/zinc/31/91/80/211319180.db2.gz LJEAVEOJEXVPTR-INIZCTEOSA-N 0 1 387.505 2.705 40 0 GFABMN CNc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1CCNC2 ZINC000072376554 211106484 /nfs/dbraw/zinc/10/64/84/211106484.db2.gz QEKNVFYPIUHHCW-SFHVURJKSA-N 0 1 383.471 2.599 40 0 GFABMN CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)c1 ZINC000072359022 211101455 /nfs/dbraw/zinc/10/14/55/211101455.db2.gz BXLNDLUOJAGART-INIZCTEOSA-N 0 1 390.447 2.845 40 0 GFABMN O=C(CN1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1)N1CCOCC1 ZINC000072348734 211095847 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Cc1cc(O)c(-c2ccnc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c23)c(=O)o1 ZINC000102273543 136189885 /nfs/dbraw/zinc/18/98/85/136189885.db2.gz HKIDXLUQTCHARQ-QWRGUYRKSA-N 0 1 382.420 2.720 40 0 GFABMN CC(C)CCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000222739554 553055721 /nfs/dbraw/zinc/05/57/21/553055721.db2.gz VTVGBZQUZAVGBQ-UHFFFAOYSA-N 0 1 388.902 2.768 40 0 GFABMN COC(=O)c1cc(S(=O)(=O)Nc2cc(OC)ccc2OC)ccc1Cl ZINC000223827209 553056933 /nfs/dbraw/zinc/05/69/33/553056933.db2.gz MKKAPOFHKNJRDE-UHFFFAOYSA-N 0 1 385.825 2.945 40 0 GFABMN CSc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000225082371 553058101 /nfs/dbraw/zinc/05/81/01/553058101.db2.gz TUAOEGRPPXKALF-UHFFFAOYSA-N 0 1 376.459 2.863 40 0 GFABMN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(OC)cc3OC)ccc21 ZINC000224886457 570536555 /nfs/dbraw/zinc/53/65/55/570536555.db2.gz XQCDPUFFPQRXHD-UHFFFAOYSA-N 0 1 390.461 2.804 40 0 GFABMN COc1c2c(cc3c1[C@@H](C[C@H](O)[C@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 ZINC000004061875 570614313 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GFABMN CCCCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000225847738 553060887 /nfs/dbraw/zinc/06/08/87/553060887.db2.gz MRMZVVOGXXERNN-UHFFFAOYSA-N 0 1 388.902 2.912 40 0 GFABMN Cc1cc(C)n([C@H](C)CC(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)n1 ZINC000022888240 570332934 /nfs/dbraw/zinc/33/29/34/570332934.db2.gz RDAZQZRCLWKNEX-IRLDBZIGSA-N 0 1 397.567 2.864 40 0 GFABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)s1 ZINC000223332818 570459029 /nfs/dbraw/zinc/45/90/29/570459029.db2.gz GKQDYQYTOITGDY-LBPRGKRZSA-N 0 1 398.510 2.633 40 0 GFABMN CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000008995815 570545840 /nfs/dbraw/zinc/54/58/40/570545840.db2.gz FVKQFELKGIGCNI-QCBUCWTNSA-N 0 1 389.883 2.517 40 0 GFABMN O=C(CN1CCC(c2ccncc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000012117352 570612080 /nfs/dbraw/zinc/61/20/80/570612080.db2.gz VEGZJENZHXGFAQ-UHFFFAOYSA-N 0 1 382.483 2.749 40 0 GFABMN COc1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)cc1OC ZINC000013569036 570850625 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GFABMN CC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C(F)(F)F)N1Cc1cccnc1 ZINC000096305805 211333770 /nfs/dbraw/zinc/33/37/70/211333770.db2.gz NSFPCXWYDHQWDX-UHFFFAOYSA-N 0 1 378.310 2.750 40 0 GFABMN COc1cccc(N(C)CCC(=O)N2CCC[C@H]2c2ccc3c(N)[nH]nc3n2)c1 ZINC000072374564 211104471 /nfs/dbraw/zinc/10/44/71/211104471.db2.gz MUNQZKAPIMNJJG-SFHVURJKSA-N 0 1 394.479 2.739 40 0 GFABMN Cc1nn(C)cc1-c1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)n[nH]1 ZINC000019718972 210288224 /nfs/dbraw/zinc/28/82/24/210288224.db2.gz ZJFXCQNVLAZSQJ-UHFFFAOYSA-N 0 1 398.898 2.730 40 0 GFABMN Cc1cc(-c2cnc(N)nc2)cc(C2CCN(CC(=O)N3CCCCC3)CC2)n1 ZINC000019691951 210281701 /nfs/dbraw/zinc/28/17/01/210281701.db2.gz HBFKFMGBCLQNOE-UHFFFAOYSA-N 0 1 394.523 2.621 40 0 GFABMN Cc1cccn2c(=O)c(C(=O)NC[C@H](c3cccc(Cl)c3)N(C)C)cnc12 ZINC000019663170 210279456 /nfs/dbraw/zinc/27/94/56/210279456.db2.gz YMSFDXWBFVWRBP-QGZVFWFLSA-N 0 1 384.867 2.689 40 0 GFABMN CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1ccc(F)cc1)C2 ZINC000096050144 136183321 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ZINC000329008479 209156163 /nfs/dbraw/zinc/15/61/63/209156163.db2.gz LQWOUUCESODDKA-UHFFFAOYSA-N 0 1 397.184 2.890 40 0 GFABMN CN(C)C(=O)C[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053149 211299437 /nfs/dbraw/zinc/29/94/37/211299437.db2.gz OVXQUXIPPWRNQT-SFHVURJKSA-N 0 1 382.508 2.799 40 0 GFABMN COc1ccccc1CN1CCC(c2cc(C(=O)N3CCC[C@@H](O)C3)on2)CC1 ZINC000019570129 210268403 /nfs/dbraw/zinc/26/84/03/210268403.db2.gz UJJQHIJVQUDDLS-GOSISDBHSA-N 0 1 399.491 2.660 40 0 GFABMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225017699 553058062 /nfs/dbraw/zinc/05/80/62/553058062.db2.gz VAZMATLJEJGSDL-UHFFFAOYSA-N 0 1 382.869 2.986 40 0 GFABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)s1 ZINC000225216314 553058960 /nfs/dbraw/zinc/05/89/60/553058960.db2.gz RUUQECHEOMGPPQ-UHFFFAOYSA-N 0 1 395.293 2.672 40 0 GFABMN CN(C)CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccc(Cl)cc2)c1=O ZINC000004237116 560197647 /nfs/dbraw/zinc/19/76/47/560197647.db2.gz MCUCCIPNXPNTRZ-GOEBONIOSA-N 0 1 385.895 2.676 40 0 biogenic,in-vitro GFABMN COc1cccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1OC(C)C ZINC000006049751 570464805 /nfs/dbraw/zinc/46/48/05/570464805.db2.gz PYZZNBNADBMEDR-XNTDXEJSSA-N 0 1 384.388 2.737 40 0 GFABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000224260938 570506224 /nfs/dbraw/zinc/50/62/24/570506224.db2.gz AWMGQOXRZYMYOZ-OUCADQQQSA-N 0 1 392.506 2.566 40 0 GFABMN COc1ccc(OC)c(-c2cc(C(=O)NCc3n[nH]c4c3CCCC4)[nH]n2)c1 ZINC000012147350 570617368 /nfs/dbraw/zinc/61/73/68/570617368.db2.gz STCZWZICWXZPJQ-UHFFFAOYSA-N 0 1 381.436 2.626 40 0 GFABMN Cc1nc(C)n(CCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000012195716 570623316 /nfs/dbraw/zinc/62/33/16/570623316.db2.gz VSHJTWUPSLFWIH-UHFFFAOYSA-N 0 1 375.904 2.577 40 0 GFABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000012200007 570623907 /nfs/dbraw/zinc/62/39/07/570623907.db2.gz LJSUCEOZVAOZQG-UHFFFAOYSA-N 0 1 394.836 2.803 40 0 GFABMN Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1F)[C@H](CN(C)C)CO2 ZINC000012406646 570654012 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O=C(CCn1cnc2ccccc21)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019376699 570982311 /nfs/dbraw/zinc/98/23/11/570982311.db2.gz OSVSBAQWOMZGFK-LJQANCHMSA-N 0 1 390.491 2.616 40 0 GFABMN O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1cccn1-c1cc[nH+]cc1)C2 ZINC000019402346 570982670 /nfs/dbraw/zinc/98/26/70/570982670.db2.gz XLRNBDMJSIXTJG-UHFFFAOYSA-N 0 1 384.443 2.576 40 0 GFABMN CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCC5)C4)[n-]n3c(=O)c2C1 ZINC000019448069 570984561 /nfs/dbraw/zinc/98/45/61/570984561.db2.gz QDUOPFMKJLOZNW-MRXNPFEDSA-N 0 1 397.523 2.708 40 0 GFABMN Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)c(C)c1C ZINC000019556156 571003430 /nfs/dbraw/zinc/00/34/30/571003430.db2.gz QQWUSNZSJIRRLC-JLTOFOAXSA-N 0 1 396.539 2.949 40 0 GFABMN CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)Cc1cccnc1 ZINC000019583467 571014246 /nfs/dbraw/zinc/01/42/46/571014246.db2.gz SAMVRKHGVVPTTK-UHFFFAOYSA-N 0 1 381.455 2.505 40 0 GFABMN CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccn[nH]2)C1 ZINC000019591543 571019280 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O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCCCN1Cc2ccccc2C1 ZINC000012193352 204380663 /nfs/dbraw/zinc/38/06/63/204380663.db2.gz KOZCRWHAKXHOLD-UHFFFAOYSA-N 0 1 385.851 2.770 40 0 GFABMN COc1cccc(-c2cncc([C@H]3CCCN(C(=O)CN4CCCC4)C3)n2)c1 ZINC000072359677 205334643 /nfs/dbraw/zinc/33/46/43/205334643.db2.gz JPXZFAUBVJUKNU-SFHVURJKSA-N 0 1 380.492 2.954 40 0 GFABMN CN1CCn2c(nnc2[C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)C1 ZINC000072373879 205338437 /nfs/dbraw/zinc/33/84/37/205338437.db2.gz DZMVTRJOLQZNDV-MRXNPFEDSA-N 0 1 384.484 2.737 40 0 GFABMN CNc1cc(Nc2nccc([C@H]3CCCN(Cc4ccccn4)C3)n2)ncn1 ZINC000072377654 205339334 /nfs/dbraw/zinc/33/93/34/205339334.db2.gz GGLQGWILAGNNLQ-HNNXBMFYSA-N 0 1 376.468 2.827 40 0 GFABMN CCc1ncc(CN2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)cn1 ZINC000072383429 205339462 /nfs/dbraw/zinc/33/94/62/205339462.db2.gz PNCSJPPTXXEEIP-UHFFFAOYSA-N 0 1 390.495 2.817 40 0 GFABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCC3CCCCC3)s2)c1 ZINC000225206200 206040425 /nfs/dbraw/zinc/04/04/25/206040425.db2.gz 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CNC(=O)c1sc2nc([C@@]3(C)CCCN(Cc4cnccn4)C3)ccc2c1N ZINC000257264836 206169760 /nfs/dbraw/zinc/16/97/60/206169760.db2.gz LWESYJTUVNHEBJ-FQEVSTJZSA-N 0 1 396.520 2.582 40 0 GFABMN COCCN1CCC[C@@]2(CN(Cc3[nH]nc4ccccc43)CC(F)(F)C2)C1=O ZINC000306126653 206197554 /nfs/dbraw/zinc/19/75/54/206197554.db2.gz FAYZSMGESUQBDY-LJQANCHMSA-N 0 1 392.450 2.659 40 0 GFABMN CCNC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000012602119 560091248 /nfs/dbraw/zinc/09/12/48/560091248.db2.gz QQNNHZRNCAOQPF-JQHSSLGASA-N 0 1 385.487 2.723 40 0 biogenic,in-vitro GFABMN CCC1(N2CCOCC2)CCN(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000685939067 565132439 /nfs/dbraw/zinc/13/24/39/565132439.db2.gz KTJZQFGLFZSMKN-AEFFLSMTSA-N 0 1 375.916 2.978 40 0 GFABMN COc1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)cc1F ZINC000096080851 570209927 /nfs/dbraw/zinc/20/99/27/570209927.db2.gz WMXUYNRALCOTFV-IRXDYDNUSA-N 0 1 390.480 2.587 40 0 GFABMN C[NH+](C)CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020460685 570260640 /nfs/dbraw/zinc/26/06/40/570260640.db2.gz SXGCIFLNJOFOMK-UHFFFAOYSA-N 0 1 395.912 2.822 40 0 GFABMN CCCCCCN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 ZINC000604381965 570353153 /nfs/dbraw/zinc/35/31/53/570353153.db2.gz WXNUCOXQMNTJBN-GOSISDBHSA-N 0 1 389.515 2.617 40 0 biogenic,in-vitro GFABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000057312856 570356168 /nfs/dbraw/zinc/35/61/68/570356168.db2.gz BOCUYFIDFHVUQQ-DHZHZOJOSA-N 0 1 379.460 2.877 40 0 GFABMN CCn1c2cc(Cl)c(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc2oc1=O ZINC000223364707 570461654 /nfs/dbraw/zinc/46/16/54/570461654.db2.gz ZEVSJBXMQDNIBC-UHFFFAOYSA-N 0 1 396.808 2.797 40 0 GFABMN CCN1CCN(c2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)CC1 ZINC000013843933 570794350 /nfs/dbraw/zinc/79/43/50/570794350.db2.gz HNXKKPYSWPIGGG-UHFFFAOYSA-N 0 1 387.534 2.814 40 0 GFABMN COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc([N+](=O)[O-])c1O ZINC000015260399 570884951 /nfs/dbraw/zinc/88/49/51/570884951.db2.gz NVSJWISXPNHBSK-GHXNOFRVSA-N 0 1 377.422 2.699 40 0 GFABMN O=C(c1cc(C2CCN(Cc3ccc(F)cc3)CC2)no1)N1CCC[C@H](O)C1 ZINC000019333830 570975528 /nfs/dbraw/zinc/97/55/28/570975528.db2.gz ZWXZOORKFCKEKQ-SFHVURJKSA-N 0 1 387.455 2.790 40 0 GFABMN C[C@@](O)(c1ccccc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 ZINC000019367100 570980051 /nfs/dbraw/zinc/98/00/51/570980051.db2.gz MFDVLMOVSSULIJ-WXFUMESZSA-N 0 1 396.531 2.668 40 0 GFABMN O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3ccncc3)C2)no1 ZINC000019405417 570983334 /nfs/dbraw/zinc/98/33/34/570983334.db2.gz ZACNMDDMDJYBHA-SFHVURJKSA-N 0 1 377.448 2.774 40 0 GFABMN CC(C)N1CCc2nc3cc(C(=O)N4CCCCCC4)ccc3c(=O)n2CC1 ZINC000019448605 570985094 /nfs/dbraw/zinc/98/50/94/570985094.db2.gz PLBYWCHVXCXYIM-UHFFFAOYSA-N 0 1 382.508 2.679 40 0 GFABMN Cc1cn2c(ncc(C(=O)NC[C@@H](c3cccc(Cl)c3)N(C)C)c2=O)s1 ZINC000019660220 571025442 /nfs/dbraw/zinc/02/54/42/571025442.db2.gz WOJKDPZOTUSNRF-HNNXBMFYSA-N 0 1 390.896 2.751 40 0 GFABMN C[NH+]1CCN(c2nc(-c3ccc(Br)cc3)c(CC(=O)[O-])s2)CC1 ZINC000095097154 655028914 /nfs/dbraw/zinc/02/89/14/655028914.db2.gz HWBUTFFEJJBYLW-UHFFFAOYSA-N 0 1 396.310 2.952 40 0 GFABMN COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000409383865 231198498 /nfs/dbraw/zinc/19/84/98/231198498.db2.gz MHNVXSWPQIXVRL-UHFFFAOYSA-N 0 1 382.869 2.825 40 0 GFABMN O=C(NC1CC1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299302 291123356 /nfs/dbraw/zinc/12/33/56/291123356.db2.gz SWJHBZOUQXDTLB-CVAIRZPRSA-N 0 1 397.548 2.559 40 0 biogenic,in-vitro GFABMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1c(-c2ccc3c(c2)OCO3)nc2ncccn12 ZINC000006740871 204198420 /nfs/dbraw/zinc/19/84/20/204198420.db2.gz SFOSQZSNDIAKIK-CQSZACIVSA-N 0 1 380.404 2.564 40 0 GFABMN COc1ccc(CC(=O)N2CCC[C@@H](c3n[nH]c(-c4cccnc4)n3)C2)cc1 ZINC000012115739 204371752 /nfs/dbraw/zinc/37/17/52/204371752.db2.gz LISCLQBBPCPLAQ-QGZVFWFLSA-N 0 1 377.448 2.824 40 0 GFABMN CN(C)[C@H](CNC(=O)Cn1ccc2ccc(F)cc21)c1ccc2c(c1)OCO2 ZINC000012148651 204376467 /nfs/dbraw/zinc/37/64/67/204376467.db2.gz LVXSBAAKUUQMHD-GOSISDBHSA-N 0 1 383.423 2.928 40 0 GFABMN Cc1ccc2oc(C(=O)N3CCC[C@H](c4nnc5n4CCN(C)CC5)C3)cc2c1 ZINC000072370932 205335745 /nfs/dbraw/zinc/33/57/45/205335745.db2.gz KREUTIFGXAHXRV-INIZCTEOSA-N 0 1 393.491 2.840 40 0 GFABMN O=c1[n-]c(-c2ccccn2)nc2c1CC[N@H+](CCOCc1ccccc1)CC2 ZINC000072390488 205341483 /nfs/dbraw/zinc/34/14/83/205341483.db2.gz LEDWFZSMNKLCTG-UHFFFAOYSA-N 0 1 376.460 2.862 40 0 GFABMN O=c1[n-]c(-c2ccccn2)nc2c1CC[N@@H+](CCOCc1ccccc1)CC2 ZINC000072390488 205341489 /nfs/dbraw/zinc/34/14/89/205341489.db2.gz LEDWFZSMNKLCTG-UHFFFAOYSA-N 0 1 376.460 2.862 40 0 GFABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)s1 ZINC000224543317 206022094 /nfs/dbraw/zinc/02/20/94/206022094.db2.gz ZQFBVHKJXPYKRA-SNVBAGLBSA-N 0 1 382.511 2.834 40 0 GFABMN COC[C@@H]1CN(C(C)=O)CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257236222 206164997 /nfs/dbraw/zinc/16/49/97/206164997.db2.gz HBGSQICKWVQQJL-IBGZPJMESA-N 0 1 396.487 2.979 40 0 GFABMN CCN1CCN(Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257239532 206165186 /nfs/dbraw/zinc/16/51/86/206165186.db2.gz HPTLAQWRIZGLDG-FQEVSTJZSA-N 0 1 389.503 2.995 40 0 GFABMN COc1cccc(CN2C[C@@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306139385 206205101 /nfs/dbraw/zinc/20/51/01/206205101.db2.gz SVWCZTZYFSVKMK-YADHBBJMSA-N 0 1 388.471 2.973 40 0 GFABMN COCCn1c(C)cc(C[N@@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)c1C ZINC000012121792 221155097 /nfs/dbraw/zinc/15/50/97/221155097.db2.gz VTIHDJRKBBVAAG-UHFFFAOYSA-N 0 1 393.491 2.867 40 0 GFABMN COCCn1c(C)cc(C[N@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)c1C ZINC000012121792 221155100 /nfs/dbraw/zinc/15/51/00/221155100.db2.gz VTIHDJRKBBVAAG-UHFFFAOYSA-N 0 1 393.491 2.867 40 0 GFABMN COc1ccc(NC(=O)c2cnc(NS(=O)(=O)c3ccc(C)cc3)nc2)cc1 ZINC000408527046 534177152 /nfs/dbraw/zinc/17/71/52/534177152.db2.gz AKWPBRMPCWNFIL-UHFFFAOYSA-N 0 1 398.444 2.847 40 0 GFABMN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CNCc2cccs2)cc1 ZINC000004895830 551095668 /nfs/dbraw/zinc/09/56/68/551095668.db2.gz VMTAIDIELWHPLB-ZDUSSCGKSA-N 0 1 381.523 2.553 40 0 GFABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](CC)c2ccc(C)c(C)c2)s1 ZINC000223583363 553057094 /nfs/dbraw/zinc/05/70/94/553057094.db2.gz HNQYIPIGZRVOBW-CYBMUJFWSA-N 0 1 382.511 2.933 40 0 GFABMN O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(C2CCOCC2)C1 ZINC000015674267 560230918 /nfs/dbraw/zinc/23/09/18/560230918.db2.gz FGZARWVYJBCKBM-HIFRSBDPSA-N 0 1 399.369 2.922 40 0 biogenic,in-vitro GFABMN CC(C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C(C)C)n1 ZINC000329045525 570214745 /nfs/dbraw/zinc/21/47/45/570214745.db2.gz TWEZREILCPFNPW-UHFFFAOYSA-N 0 1 389.525 2.630 40 0 GFABMN CN(C)CC(=O)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 ZINC000096267309 570227115 /nfs/dbraw/zinc/22/71/15/570227115.db2.gz KWNKDSLZNZXNPB-UHFFFAOYSA-N 0 1 378.480 2.741 40 0 GFABMN COc1ccc(N2C(=O)C[C@H](c3c(C)[nH]n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000001030821 570235805 /nfs/dbraw/zinc/23/58/05/570235805.db2.gz ZTDRUGXKFWVOHZ-MJGOQNOKSA-N 0 1 377.400 2.614 40 0 GFABMN CC(C)[N@H+]1CCc2c(nc3cc([C@H]4CCCN4C(=O)[C@@H]4C[C@H]4C)[n-]n3c2=O)C1 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POLNFTWKQYBWIW-UHFFFAOYSA-N 0 1 394.479 2.656 40 0 GFABMN COc1cccc(OC)c1CN1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000019567015 571008005 /nfs/dbraw/zinc/00/80/05/571008005.db2.gz JZHPXLKVLVRKMY-INIZCTEOSA-N 0 1 392.459 2.839 40 0 GFABMN O=c1c2c[nH]nc2nc(SC[C@H](O)COc2ccccc2)n1-c1ccccc1 ZINC000006414302 204178263 /nfs/dbraw/zinc/17/82/63/204178263.db2.gz QBFTYIBQHFTLEB-OAHLLOKOSA-N 0 1 394.456 2.641 40 0 GFABMN O=C(Nc1nccs1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298442 204270340 /nfs/dbraw/zinc/27/03/40/204270340.db2.gz JOZZIFDQLUCCGP-ZACQAIPSSA-N 0 1 394.504 2.751 40 0 biogenic,in-vitro GFABMN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2ccccn2)C3)c(OCC)n1 ZINC000012089103 204371115 /nfs/dbraw/zinc/37/11/15/204371115.db2.gz ZRQLLEXZCAPFMM-AQKKSAQBSA-N 0 1 398.507 2.789 40 0 GFABMN COc1ccc(CNC(=O)CN2CCC(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012113994 204371879 /nfs/dbraw/zinc/37/18/79/204371879.db2.gz PSWKIXZPIRELKN-UHFFFAOYSA-N 0 1 382.460 2.920 40 0 GFABMN 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ZINC000012113993 570609519 /nfs/dbraw/zinc/60/95/19/570609519.db2.gz LXHOBEXNKAIOJS-UHFFFAOYSA-N 0 1 382.460 2.920 40 0 GFABMN C=C1N=C(SCC(=O)OC)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408991318 570690222 /nfs/dbraw/zinc/69/02/22/570690222.db2.gz QDRQAFNYFBOOES-QGZVFWFLSA-N 0 1 392.477 2.829 40 0 GFABMN C[C@@H]1CCCCN1CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 ZINC000072341142 570880906 /nfs/dbraw/zinc/88/09/06/570880906.db2.gz FVTYKMBURSYQQQ-FOIQADDNSA-N 0 1 393.491 2.773 40 0 GFABMN CN(Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2 ZINC000585103411 570932093 /nfs/dbraw/zinc/93/20/93/570932093.db2.gz GEYSRUSFIHHMBS-NRFANRHFSA-N 0 1 395.503 2.931 40 0 GFABMN CCOc1ncc(C2(O)CCN(Cc3ccc(OC)cc3)CC2)c(OCC)n1 ZINC000019531729 210258282 /nfs/dbraw/zinc/25/82/82/210258282.db2.gz PPVNNGXDSVZQKB-UHFFFAOYSA-N 0 1 387.480 2.766 40 0 GFABMN CCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cn1 ZINC000019523391 210257155 /nfs/dbraw/zinc/25/71/55/210257155.db2.gz LUHPXIGUFGJWRD-MRXNPFEDSA-N 0 1 376.464 2.564 40 0 GFABMN CCc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cn1 ZINC000019523391 210257158 /nfs/dbraw/zinc/25/71/58/210257158.db2.gz LUHPXIGUFGJWRD-MRXNPFEDSA-N 0 1 376.464 2.564 40 0 GFABMN C[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000019497316 210253497 /nfs/dbraw/zinc/25/34/97/210253497.db2.gz RNFROKGSDUWJRJ-HZPDHXFCSA-N 0 1 396.491 2.679 40 0 GFABMN CC1CCN(c2ncc(C(=O)NC3CCN(Cc4cccnc4)CC3)cn2)CC1 ZINC000019497086 210253232 /nfs/dbraw/zinc/25/32/32/210253232.db2.gz BXFCOHOVSWVDKN-UHFFFAOYSA-N 0 1 394.523 2.502 40 0 GFABMN CC(C)N1CCc2nc3cc(C(=O)N4CCC[C@@H](C)C4)ccc3c(=O)n2CC1 ZINC000019496476 210252304 /nfs/dbraw/zinc/25/23/04/210252304.db2.gz SGOVPTADLNHBAA-MRXNPFEDSA-N 0 1 382.508 2.535 40 0 GFABMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000013677413 210077832 /nfs/dbraw/zinc/07/78/32/210077832.db2.gz OEXUUFCWOVFTHF-UHFFFAOYSA-N 0 1 378.450 2.643 40 0 GFABMN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(Cc3ccnn3C)C2)cc1 ZINC000257327648 212026746 /nfs/dbraw/zinc/02/67/46/212026746.db2.gz XCESXKJUMPDSNW-QGZVFWFLSA-N 0 1 392.507 2.941 40 0 GFABMN O=C([O-])c1cc(C[N@H+]2CCC[C@H](c3nccnc3-c3ncc[nH]3)C2)ccc1O ZINC000257307568 212021403 /nfs/dbraw/zinc/02/14/03/212021403.db2.gz SZGRJAUJYYGLQD-AWEZNQCLSA-N 0 1 379.420 2.650 40 0 GFABMN CN(C)Cc1cnn(-c2ccccc2C(=O)NCCc2ccc(N(C)C)cc2)c1 ZINC000257298012 212019800 /nfs/dbraw/zinc/01/98/00/212019800.db2.gz RJTAHKJPRAGTBJ-UHFFFAOYSA-N 0 1 391.519 2.972 40 0 GFABMN CN(C)C(=O)c1cn[nH]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000257211588 212004079 /nfs/dbraw/zinc/00/40/79/212004079.db2.gz BZLBTBADXWHLQT-HNNXBMFYSA-N 0 1 396.900 2.681 40 0 GFABMN Cc1nc(CN2CC[C@@]3(C2)CN(C(=O)c2ccn[nH]2)CCC3(F)F)cs1 ZINC000096239792 211323500 /nfs/dbraw/zinc/32/35/00/211323500.db2.gz CFJIGXPXVUNIGW-MRXNPFEDSA-N 0 1 381.452 2.548 40 0 GFABMN Cc1ccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)o1 ZINC000096037131 211297181 /nfs/dbraw/zinc/29/71/81/211297181.db2.gz SSYWIKSKACJFQZ-UHFFFAOYSA-N 0 1 390.505 2.883 40 0 GFABMN CNc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1CCNC2 ZINC000072376555 211105468 /nfs/dbraw/zinc/10/54/68/211105468.db2.gz QEKNVFYPIUHHCW-GOSISDBHSA-N 0 1 383.471 2.599 40 0 GFABMN O=C(CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1)N1CCOCC1 ZINC000072348735 211095078 /nfs/dbraw/zinc/09/50/78/211095078.db2.gz OMHSKDUZISPPNR-UHFFFAOYSA-N 0 1 397.494 2.850 40 0 GFABMN CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccc4)CC3)ccc21 ZINC000036741189 210731885 /nfs/dbraw/zinc/73/18/85/210731885.db2.gz HZCKGZDHGRZGHX-HSZRJFAPSA-N 0 1 379.504 2.841 40 0 GFABMN Cc1nc(N)c2ccc([C@@H]3CCCN(CC(=O)N(C)C4CCCCC4)C3)nc2n1 ZINC000019743315 210290548 /nfs/dbraw/zinc/29/05/48/210290548.db2.gz IAJVUPMYCGDHCO-MRXNPFEDSA-N 0 1 396.539 2.886 40 0 GFABMN CC(C)c1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N(C)C)nn2cnnc12 ZINC000019662765 210279563 /nfs/dbraw/zinc/27/95/63/210279563.db2.gz JRFVVKNNTUFTGU-QGZVFWFLSA-N 0 1 386.887 2.934 40 0 GFABMN Cc1nc2cc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)ccc2n1C1CCCCC1 ZINC000019663700 210279624 /nfs/dbraw/zinc/27/96/24/210279624.db2.gz HWHIFHBWVXLIAC-MRXNPFEDSA-N 0 1 397.523 2.986 40 0 GFABMN CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000019590931 210273056 /nfs/dbraw/zinc/27/30/56/210273056.db2.gz QLEZKCFRYDSIJT-FQEVSTJZSA-N 0 1 393.491 2.775 40 0 GFABMN C[C@H](CN1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335495 136168379 /nfs/dbraw/zinc/16/83/79/136168379.db2.gz FABMBFBEXQWRLX-ZACQAIPSSA-N 0 1 382.508 2.958 40 0 GFABMN CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1C ZINC000408623702 528444259 /nfs/dbraw/zinc/44/42/59/528444259.db2.gz PMOGNIXNUBUTOC-UHFFFAOYSA-N 0 1 392.477 2.953 40 0 GFABMN COc1ccc(NC(=S)N2CCN(C3CCSCC3)CC2)c(OC)c1 ZINC000225215969 553058776 /nfs/dbraw/zinc/05/87/76/553058776.db2.gz QGKOBJFWAMLDJA-UHFFFAOYSA-N 0 1 381.567 2.914 40 0 GFABMN O=C(CN1CCC[C@@](O)(COc2ccccc2F)CC1)NCc1ccccc1 ZINC000585272860 570241148 /nfs/dbraw/zinc/24/11/48/570241148.db2.gz KBZKWIGRCATHHP-QFIPXVFZSA-N 0 1 386.467 2.738 40 0 GFABMN CCCCCCN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@@H]1COCCN12 ZINC000604382010 570352976 /nfs/dbraw/zinc/35/29/76/570352976.db2.gz YUFSQDCVONXXQH-HXUWFJFHSA-N 0 1 386.540 2.870 40 0 biogenic,in-vitro GFABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223638748 570475955 /nfs/dbraw/zinc/47/59/55/570475955.db2.gz VTPCLAVNOLDYKT-UHFFFAOYSA-N 0 1 394.474 2.954 40 0 GFABMN CCn1c2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2sc1=O ZINC000225687359 570603209 /nfs/dbraw/zinc/60/32/09/570603209.db2.gz ZBMQIXRYYVEWAF-UHFFFAOYSA-N 0 1 394.474 2.901 40 0 GFABMN CCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](CC1CC1)CC3 ZINC000019498822 210253312 /nfs/dbraw/zinc/25/33/12/210253312.db2.gz XDHPUJVNJSWYBV-SFHVURJKSA-N 0 1 383.496 2.667 40 0 GFABMN O=C(C1CC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 ZINC000019343555 210241010 /nfs/dbraw/zinc/24/10/10/210241010.db2.gz TZICAAVTDKSWOO-GOSISDBHSA-N 0 1 398.532 2.853 40 0 GFABMN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019079269 210223860 /nfs/dbraw/zinc/22/38/60/210223860.db2.gz NUQUBVNOSDOERA-AUUYWEPGSA-N 0 1 384.455 2.783 40 0 GFABMN O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000016740485 210195529 /nfs/dbraw/zinc/19/55/29/210195529.db2.gz PHQZEAAQADJNPW-UHFFFAOYSA-N 0 1 391.493 2.573 40 0 GFABMN CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H](c1ccc(-n3cncn3)cc1)N2 ZINC000306145976 212058039 /nfs/dbraw/zinc/05/80/39/212058039.db2.gz XVAXFTCKCHWZQW-GOSISDBHSA-N 0 1 399.495 2.698 40 0 GFABMN COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000306129971 212047079 /nfs/dbraw/zinc/04/70/79/212047079.db2.gz ISZAYGONUVONLN-UHFFFAOYSA-N 0 1 389.887 2.813 40 0 GFABMN O=C(CN1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CC1 ZINC000257326557 212025158 /nfs/dbraw/zinc/02/51/58/212025158.db2.gz WXQHLNIHCNSXNR-GFCCVEGCSA-N 0 1 380.370 2.823 40 0 GFABMN Cc1cc(-c2nccn2C)nc([C@H]2CCN(C(=O)c3[nH]nc4ccccc43)C2)n1 ZINC000257276262 212016894 /nfs/dbraw/zinc/01/68/94/212016894.db2.gz NTAKLZFMKMNPIV-AWEZNQCLSA-N 0 1 387.447 2.692 40 0 GFABMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-c4ncc[nH]4)n3)C2)cc1 ZINC000257272642 212013673 /nfs/dbraw/zinc/01/36/73/212013673.db2.gz NDGMYQYCMLFUDR-MRXNPFEDSA-N 0 1 393.447 2.710 40 0 GFABMN OCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329005182 209155623 /nfs/dbraw/zinc/15/56/23/209155623.db2.gz KWNDVGYSOKNDKQ-UHFFFAOYSA-N 0 1 392.246 2.543 40 0 GFABMN CN(C)C(=O)CN1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC000096155761 211313951 /nfs/dbraw/zinc/31/39/51/211313951.db2.gz RUGGZNABLBBHSA-UHFFFAOYSA-N 0 1 381.455 2.803 40 0 GFABMN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 ZINC000096058468 211297959 /nfs/dbraw/zinc/29/79/59/211297959.db2.gz GGCXBVIXFUQBIV-OALUTQOASA-N 0 1 376.547 2.926 40 0 GFABMN O=C1NC(=O)[C@@H](Cc2nn3c(nnc3-c3cccc(C(F)(F)F)c3)s2)S1 ZINC000015057232 211126676 /nfs/dbraw/zinc/12/66/76/211126676.db2.gz WGZCBRZTJAGVGP-MRVPVSSYSA-N 0 1 399.379 2.766 40 0 GFABMN CN1CCn2c(nnc2[C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072374017 211103203 /nfs/dbraw/zinc/10/32/03/211103203.db2.gz ZITRCMCNFHMGGP-GOSISDBHSA-N 0 1 378.480 2.501 40 0 GFABMN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCc2nnc([C@@H]3CCCCN3)n2CC1 ZINC000072372818 211102231 /nfs/dbraw/zinc/10/22/31/211102231.db2.gz CNKKDRFOELNDJT-KRWDZBQOSA-N 0 1 396.470 2.720 40 0 GFABMN Cc1cnc(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)cn1 ZINC000072371411 211102096 /nfs/dbraw/zinc/10/20/96/211102096.db2.gz NDEKJQAQIGZMDK-HNNXBMFYSA-N 0 1 395.438 2.898 40 0 GFABMN CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)n2)C1 ZINC000072374955 211105000 /nfs/dbraw/zinc/10/50/00/211105000.db2.gz XMZCERFANUKXGR-QGZVFWFLSA-N 0 1 381.480 2.679 40 0 GFABMN Nc1cc(-c2cn[nH]c2[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccn1 ZINC000072360795 211100563 /nfs/dbraw/zinc/10/05/63/211100563.db2.gz IHNFPHMRQORNSH-HNNXBMFYSA-N 0 1 383.477 2.622 40 0 GFABMN COc1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408602666 534188314 /nfs/dbraw/zinc/18/83/14/534188314.db2.gz IQNTZCMCMAHCGN-AWEZNQCLSA-N 0 1 392.477 2.788 40 0 GFABMN CCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 ZINC000409137573 528846994 /nfs/dbraw/zinc/84/69/94/528846994.db2.gz YHPPQUJUCOLWPR-UHFFFAOYSA-N 0 1 379.434 2.746 40 0 GFABMN Cn1cc(CN2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)c2ccccc21 ZINC000096269112 560054106 /nfs/dbraw/zinc/05/41/06/560054106.db2.gz XNBWKVGPFSFXQK-LJQANCHMSA-N 0 1 375.476 2.695 40 0 biogenic,in-vitro GFABMN Cn1ccnc1COc1ccc(C[N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000585268332 570234024 /nfs/dbraw/zinc/23/40/24/570234024.db2.gz WUCLNANCUBJTTG-NHCUHLMSSA-N 0 1 397.450 2.762 40 0 GFABMN Cn1ccnc1COc1ccc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000585268332 570234029 /nfs/dbraw/zinc/23/40/29/570234029.db2.gz WUCLNANCUBJTTG-NHCUHLMSSA-N 0 1 397.450 2.762 40 0 GFABMN CN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2nncs2)c1 ZINC000006680974 570674927 /nfs/dbraw/zinc/67/49/27/570674927.db2.gz ADANFQBHXZEBLH-UHFFFAOYSA-N 0 1 394.503 2.673 40 0 GFABMN CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccn[nH]3)CC2)c2cc(F)ccc21 ZINC000585105615 570932453 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0 1 380.370 2.823 40 0 GFABMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC000014291500 570882005 /nfs/dbraw/zinc/88/20/05/570882005.db2.gz SWZALCJVKCKDOQ-UHFFFAOYSA-N 0 1 397.836 2.855 40 0 GFABMN CN1CC2(CCN(Cc3ccncc3)CC2)c2nn(-c3ccccc3)cc2C1=O ZINC000306124708 570936164 /nfs/dbraw/zinc/93/61/64/570936164.db2.gz BXFIDIMMJFBVEU-UHFFFAOYSA-N 0 1 387.487 2.887 40 0 GFABMN Cn1ccnc1CN1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109846 570938569 /nfs/dbraw/zinc/93/85/69/570938569.db2.gz ZYWISZCIOCJIFV-SXWKCWPCSA-N 0 1 394.519 2.623 40 0 GFABMN Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[n-]c(=O)c2C1 ZINC000019238657 570967963 /nfs/dbraw/zinc/96/79/63/570967963.db2.gz OYEFYPUJKICBII-QGZVFWFLSA-N 0 1 398.532 2.772 40 0 GFABMN Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[n-]c(=O)c2C1 ZINC000019238657 570967966 /nfs/dbraw/zinc/96/79/66/570967966.db2.gz OYEFYPUJKICBII-QGZVFWFLSA-N 0 1 398.532 2.772 40 0 GFABMN O=c1[n-]c(-c2ccccn2)nc2c1C[N@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000019349319 570978872 /nfs/dbraw/zinc/97/88/72/570978872.db2.gz HTOWYPFMKXFOGN-UHFFFAOYSA-N 0 1 387.487 2.990 40 0 GFABMN O=c1[n-]c(-c2ccccn2)nc2c1C[N@@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000019349319 570978873 /nfs/dbraw/zinc/97/88/73/570978873.db2.gz HTOWYPFMKXFOGN-UHFFFAOYSA-N 0 1 387.487 2.990 40 0 GFABMN O=C(CN1CCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369312 570980637 /nfs/dbraw/zinc/98/06/37/570980637.db2.gz MLLHJOSMVFRASU-IBGZPJMESA-N 0 1 380.492 2.533 40 0 GFABMN CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 ZINC000019371597 570981017 /nfs/dbraw/zinc/98/10/17/570981017.db2.gz MVCGPTKTIMCOBS-SFHVURJKSA-N 0 1 386.565 2.803 40 0 GFABMN C[C@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000019497318 570990069 /nfs/dbraw/zinc/99/00/69/570990069.db2.gz RNFROKGSDUWJRJ-HOTGVXAUSA-N 0 1 396.491 2.679 40 0 GFABMN C[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000019497317 570990107 /nfs/dbraw/zinc/99/01/07/570990107.db2.gz 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ZINC000012145355 221159193 /nfs/dbraw/zinc/15/91/93/221159193.db2.gz ZCJFXEZUKGVVIS-HNNXBMFYSA-N 0 1 390.491 2.508 40 0 GFABMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc([C@H](O)c2nccn2C)cc1 ZINC000012147678 221160128 /nfs/dbraw/zinc/16/01/28/221160128.db2.gz BMMBMUFFNCZPMM-SFHVURJKSA-N 0 1 387.461 2.620 40 0 GFABMN Cc1cc2oc(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)cc(=O)c2cc1C ZINC000012191818 221164747 /nfs/dbraw/zinc/16/47/47/221164747.db2.gz LATXRNQKMVZVIW-UHFFFAOYSA-N 0 1 389.415 2.562 40 0 GFABMN Cc1cc2oc(C(=O)NCCc3n[nH]c(-c4cccnc4)n3)cc(=O)c2cc1C ZINC000012191818 221164751 /nfs/dbraw/zinc/16/47/51/221164751.db2.gz LATXRNQKMVZVIW-UHFFFAOYSA-N 0 1 389.415 2.562 40 0 GFABMN Cc1cc(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)oc1C ZINC000012223032 221170194 /nfs/dbraw/zinc/17/01/94/221170194.db2.gz FDXVVRVEACCBFQ-IBGZPJMESA-N 0 1 375.494 2.839 40 0 GFABMN CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](C(C)C)CC3 ZINC000019085650 221396647 /nfs/dbraw/zinc/39/66/47/221396647.db2.gz SNKWUZWDGJBJKO-GOSISDBHSA-N 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/nfs/dbraw/zinc/09/98/51/551099851.db2.gz MBSQGPAEAZVTCF-UHFFFAOYSA-N 0 1 389.296 2.979 40 0 GFABMN COc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCOCC4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289427 560032380 /nfs/dbraw/zinc/03/23/80/560032380.db2.gz TXSMETWKTDDGMS-GJZGRUSLSA-N 0 1 387.480 2.706 40 0 biogenic,in-vitro GFABMN COc1ccc2nc(C[C@H]3C[N@@H+](C4CCOCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289427 560032382 /nfs/dbraw/zinc/03/23/82/560032382.db2.gz TXSMETWKTDDGMS-GJZGRUSLSA-N 0 1 387.480 2.706 40 0 biogenic,in-vitro GFABMN COc1ccc2nc(C[C@H]3C[N@H+](C4CCOCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289427 560032384 /nfs/dbraw/zinc/03/23/84/560032384.db2.gz TXSMETWKTDDGMS-GJZGRUSLSA-N 0 1 387.480 2.706 40 0 biogenic,in-vitro GFABMN CCc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@H](C)CO)n1 ZINC000329010111 563469911 /nfs/dbraw/zinc/46/99/11/563469911.db2.gz LZCVGQRPGHLYGX-GFCCVEGCSA-N 0 1 391.313 3.157 40 0 GFABMN CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(NCCO)n1 ZINC000329070159 563472178 /nfs/dbraw/zinc/47/21/78/563472178.db2.gz ZDYAEUFOQBYHLV-UHFFFAOYSA-N 0 1 391.313 3.329 40 0 GFABMN CN(C[C@H]1COc2ccccc2O1)C(=O)CC1CCN(Cc2ccccn2)CC1 ZINC000019748761 570214648 /nfs/dbraw/zinc/21/46/48/570214648.db2.gz DIYYAECMZYEHSZ-FQEVSTJZSA-N 0 1 395.503 2.982 40 0 GFABMN COC(=O)c1c(C)nc2ccn(-c3nnc[nH]3)c(=O)c2c1-c1ccc(Cl)cc1 ZINC000019819220 570222304 /nfs/dbraw/zinc/22/23/04/570222304.db2.gz CJJBFZVJBJWEGS-UHFFFAOYSA-N 0 1 395.806 2.919 40 0 GFABMN COC(=O)c1c(C)nc2ccn(-c3nc(C)n[nH]3)c(=O)c2c1-c1ccc(F)cc1 ZINC000019819248 570222370 /nfs/dbraw/zinc/22/23/70/570222370.db2.gz MZJZKQUKJOMUBK-UHFFFAOYSA-N 0 1 393.378 2.713 40 0 GFABMN COC(=O)c1c(C)nc2ccn(-c3nnc[nH]3)c(=O)c2c1-c1cccc(Cl)c1 ZINC000019821622 570222684 /nfs/dbraw/zinc/22/26/84/570222684.db2.gz VJQHVUJUAIMNBL-UHFFFAOYSA-N 0 1 395.806 2.919 40 0 GFABMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000003189322 570300168 /nfs/dbraw/zinc/30/01/68/570300168.db2.gz KGATUTWMGVPGRI-GXDHUFHOSA-N 0 1 382.441 2.844 40 0 GFABMN O=C(CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccco1)C2)NCc1ccc(F)cc1 ZINC000004908212 570416922 /nfs/dbraw/zinc/41/69/22/570416922.db2.gz CESDEEBXCSJADE-YQQQUEKLSA-N 0 1 399.466 2.850 40 0 GFABMN COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@H]1c1ccccc1C ZINC000004934934 570421575 /nfs/dbraw/zinc/42/15/75/570421575.db2.gz BKNQGVLHWKCWJJ-IBGZPJMESA-N 0 1 376.416 2.826 40 0 GFABMN COC(=O)Cc1ccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000225232305 570558121 /nfs/dbraw/zinc/55/81/21/570558121.db2.gz USAKMDRPFRQVAO-UHFFFAOYSA-N 0 1 398.532 2.748 40 0 GFABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225672270 570601235 /nfs/dbraw/zinc/60/12/35/570601235.db2.gz DBUIICNKCUSSLB-UHFFFAOYSA-N 0 1 392.458 2.578 40 0 GFABMN O=C1N[C@@H](c2ccccc2Cl)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000005525117 570663825 /nfs/dbraw/zinc/66/38/25/570663825.db2.gz FVUGRJYVDVXNIE-WWGRRREGSA-N 0 1 399.756 2.839 40 0 GFABMN Cn1ccnc1-c1nccnc1[C@@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)[O-] ZINC000257248613 570770150 /nfs/dbraw/zinc/77/01/50/570770150.db2.gz JELOWHIMJHOQGQ-INIZCTEOSA-N 0 1 393.447 2.678 40 0 GFABMN Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2cnccn2)C1 ZINC000257255395 570771063 /nfs/dbraw/zinc/77/10/63/570771063.db2.gz KHHLCJRPVUWREB-INIZCTEOSA-N 0 1 393.495 2.984 40 0 GFABMN O=S1(=O)c2ccccc2O[C@@]2(CCN(CC3CC3)C2)CN1Cc1ccccn1 ZINC000306126388 570936954 /nfs/dbraw/zinc/93/69/54/570936954.db2.gz DUJBVUYHNVNHAG-OAQYLSRUSA-N 0 1 399.516 2.519 40 0 GFABMN CN1CC[C@]2(C1)CN(C(=O)c1ccnnc1)Cc1sc(-c3ccccc3)nc12 ZINC000306128436 570937971 /nfs/dbraw/zinc/93/79/71/570937971.db2.gz HAHRJJCEBVKIPS-NRFANRHFSA-N 0 1 391.500 2.829 40 0 GFABMN Cc1ccc(CN2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)s1 ZINC000306135370 570941998 /nfs/dbraw/zinc/94/19/98/570941998.db2.gz OOXLRMQVCHEWSE-UHFFFAOYSA-N 0 1 393.520 2.822 40 0 GFABMN CCCCS(=O)(=O)N1CCC2(CC1)CN(CC1CC1)Cc1cccnc12 ZINC000306137840 570943408 /nfs/dbraw/zinc/94/34/08/570943408.db2.gz RHUKTCUVDYGOKN-UHFFFAOYSA-N 0 1 377.554 2.771 40 0 GFABMN 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ZINC000223583320 553056838 /nfs/dbraw/zinc/05/68/38/553056838.db2.gz HNQYIPIGZRVOBW-ZDUSSCGKSA-N 0 1 382.511 2.933 40 0 GFABMN Cc1ccc(S(=O)(=O)N2CCC(c3ccc4c(N)[nH]nc4n3)CC2)cc1F ZINC000019745133 570213636 /nfs/dbraw/zinc/21/36/36/570213636.db2.gz ILAOISZPRFLFAS-UHFFFAOYSA-N 0 1 389.456 2.556 40 0 GFABMN Cc1nc([C@@H]2CCCN2C(=O)c2ccn[nH]2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755112 570216373 /nfs/dbraw/zinc/21/63/73/570216373.db2.gz NNBALKOSKSDATQ-KRWDZBQOSA-N 0 1 394.410 2.877 40 0 GFABMN CC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C(F)(F)F)N1Cc1ccncc1 ZINC000096305806 570228541 /nfs/dbraw/zinc/22/85/41/570228541.db2.gz YMDAFACUIJCXLA-UHFFFAOYSA-N 0 1 378.310 2.750 40 0 GFABMN CCC(=O)C1(N2CCOCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000005757894 570456123 /nfs/dbraw/zinc/45/61/23/570456123.db2.gz PLCMLWPWSFBZEX-UHFFFAOYSA-N 0 1 390.499 2.935 40 0 GFABMN COc1ccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1 ZINC000004895555 570637024 /nfs/dbraw/zinc/63/70/24/570637024.db2.gz LAQGSICDQNNPGW-UHFFFAOYSA-N 0 1 383.427 2.855 40 0 GFABMN COc1ccc(S(=O)(=O)N2Cc3cc(C)ccc3OC[C@H]2CN(C)C)cc1 ZINC000012406659 570653939 /nfs/dbraw/zinc/65/39/39/570653939.db2.gz JOVDEAJQNAFAPO-QGZVFWFLSA-N 0 1 390.505 2.517 40 0 GFABMN COc1ccc(S(=O)(=O)N2Cc3cc(C)ccc3OC[C@@H]2CN(C)C)cc1 ZINC000012406657 570654029 /nfs/dbraw/zinc/65/40/29/570654029.db2.gz JOVDEAJQNAFAPO-KRWDZBQOSA-N 0 1 390.505 2.517 40 0 GFABMN NC(=O)CN1CCC(CCc2ccnc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000257334812 570783477 /nfs/dbraw/zinc/78/34/77/570783477.db2.gz YHLLEQFPXGZUKL-UHFFFAOYSA-N 0 1 384.455 2.603 40 0 GFABMN C[C@@H](C[N@H+]1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000257224044 570890431 /nfs/dbraw/zinc/89/04/31/570890431.db2.gz FABMBFBEXQWRLX-GVDBMIGSSA-N 0 1 382.508 2.958 40 0 GFABMN COC(=O)c1ccc([C@H]2CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CN2)cc1 ZINC000306145484 570946798 /nfs/dbraw/zinc/94/67/98/570946798.db2.gz GPNXCGBLAHTCQJ-UZLBHIALSA-N 0 1 376.453 2.514 40 0 GFABMN CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000019500330 570992089 /nfs/dbraw/zinc/99/20/89/570992089.db2.gz XKDIQYPPIWPVTJ-QGZVFWFLSA-N 0 1 390.528 2.634 40 0 GFABMN COc1cccc(C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)c1OC ZINC000019567373 571008498 /nfs/dbraw/zinc/00/84/98/571008498.db2.gz BAZOVWRBVIELLN-KRWDZBQOSA-N 0 1 382.464 2.507 40 0 GFABMN