smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCC[N@H+](Cc3noc(-c4ccccc4C)n3)CC2)cc1 ZINC000178074215 837765639 /nfs/dbraw/zinc/76/56/39/837765639.db2.gz BYQZMEBQWXSKDJ-UHFFFAOYSA-N 1 2 378.476 3.766 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](Cc3noc(-c4ccccc4C)n3)CC2)cc1 ZINC000178074215 837765649 /nfs/dbraw/zinc/76/56/49/837765649.db2.gz BYQZMEBQWXSKDJ-UHFFFAOYSA-N 1 2 378.476 3.766 20 10 GHCDLO C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000177125851 836000894 /nfs/dbraw/zinc/00/08/94/836000894.db2.gz WQIZQRXHEKXFDT-CQSZACIVSA-N 1 2 390.578 3.665 20 10 GHCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1 ZINC000053773966 840721207 /nfs/dbraw/zinc/72/12/07/840721207.db2.gz YBJIICITQUZKHA-QGZVFWFLSA-N 1 2 397.519 3.626 20 10 GHCDLO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1 ZINC000053773966 840721228 /nfs/dbraw/zinc/72/12/28/840721228.db2.gz YBJIICITQUZKHA-QGZVFWFLSA-N 1 2 397.519 3.626 20 10 GHCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472219711 846910297 /nfs/dbraw/zinc/91/02/97/846910297.db2.gz HHDNTFXTPVSGJF-UHFFFAOYSA-N 1 2 381.524 3.867 20 10 GHCDLO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000732127780 862079989 /nfs/dbraw/zinc/07/99/89/862079989.db2.gz OFMNRIBPECEDFU-NRFANRHFSA-N 1 2 399.510 3.560 20 10 GHCDLO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000729449258 851220827 /nfs/dbraw/zinc/22/08/27/851220827.db2.gz OVZCUEONIFRPMJ-CVEARBPZSA-N 1 2 389.927 3.587 20 10 GHCDLO O=C(NCc1ccccc1O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732457920 862300826 /nfs/dbraw/zinc/30/08/26/862300826.db2.gz CFBKLLOAJNCRTL-KRWDZBQOSA-N 1 2 391.874 3.649 20 10 GHCDLO O=C(NCc1ccccc1O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732457920 862300840 /nfs/dbraw/zinc/30/08/40/862300840.db2.gz CFBKLLOAJNCRTL-KRWDZBQOSA-N 1 2 391.874 3.649 20 10 GHCDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000765880642 855882384 /nfs/dbraw/zinc/88/23/84/855882384.db2.gz LXQIXPLZPLEKHA-OAHLLOKOSA-N 1 2 390.528 3.542 20 10 GHCDLO C[C@@H]1CN(c2ccc(CNc3nc(N)c4ccccc4[nH+]3)cc2F)C[C@@H](C)O1 ZINC000764123832 859211630 /nfs/dbraw/zinc/21/16/30/859211630.db2.gz NUCSFGGNDMSFAR-ZIAGYGMSSA-N 1 2 381.455 3.577 20 10 GHCDLO Cc1cc(CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)n1-c1ccccc1 ZINC000727938342 860331131 /nfs/dbraw/zinc/33/11/31/860331131.db2.gz QMHSLJCEIKSNPA-HXUWFJFHSA-N 1 2 391.519 3.949 20 10 GHCDLO Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(=O)c1-c1ccccc1 ZINC000738227996 865506431 /nfs/dbraw/zinc/50/64/31/865506431.db2.gz RPKCAGLLDLVGAD-KRWDZBQOSA-N 1 2 392.499 3.858 20 10 GHCDLO Cc1oc2c(ccc([O-])c2C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(=O)c1-c1ccccc1 ZINC000738227996 865506438 /nfs/dbraw/zinc/50/64/38/865506438.db2.gz RPKCAGLLDLVGAD-KRWDZBQOSA-N 1 2 392.499 3.858 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1O ZINC000766253943 865911863 /nfs/dbraw/zinc/91/18/63/865911863.db2.gz NDRNTNAWHZKPPL-UHFFFAOYSA-N 1 2 378.900 3.615 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1O ZINC000766253943 865911873 /nfs/dbraw/zinc/91/18/73/865911873.db2.gz NDRNTNAWHZKPPL-UHFFFAOYSA-N 1 2 378.900 3.615 20 10 GHCDLO Cc1cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)n1-c1ccccn1 ZINC000742857438 867629224 /nfs/dbraw/zinc/62/92/24/867629224.db2.gz CGJNOKJSINFXED-NRFANRHFSA-N 1 2 399.498 3.936 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000857449775 882270487 /nfs/dbraw/zinc/27/04/87/882270487.db2.gz IXKPWMGLHLRMIT-UHFFFAOYSA-N 1 2 378.476 3.650 20 10 GHCDLO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(Br)cc(F)c1O ZINC000857875506 882605484 /nfs/dbraw/zinc/60/54/84/882605484.db2.gz QSGIBDHIHHXXFA-MGPLVRAMSA-N 1 2 393.256 3.658 20 10 GHCDLO CC[NH+](CC)Cc1nc(C2(NCc3cc(Cl)ccc3O)CCCC2)no1 ZINC000742206406 872830512 /nfs/dbraw/zinc/83/05/12/872830512.db2.gz BWCAMKGMDQTRHI-UHFFFAOYSA-N 1 2 378.904 3.830 20 10 GHCDLO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)o1 ZINC000527588027 873325396 /nfs/dbraw/zinc/32/53/96/873325396.db2.gz PJWAKJIJRRPCQB-UHFFFAOYSA-N 1 2 380.847 3.789 20 10 GHCDLO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001200950077 875435360 /nfs/dbraw/zinc/43/53/60/875435360.db2.gz FYTMMYXVMKMANG-UHFFFAOYSA-N 1 2 387.238 3.965 20 10 GHCDLO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776257642 876051436 /nfs/dbraw/zinc/05/14/36/876051436.db2.gz ZLYSCUIDTUASLH-TVQRCGJNSA-N 1 2 393.119 3.822 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1O ZINC000785838657 876275947 /nfs/dbraw/zinc/27/59/47/876275947.db2.gz BTOSRBYKPPQPDX-OAHLLOKOSA-N 1 2 378.831 3.826 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1O ZINC000785838657 876275964 /nfs/dbraw/zinc/27/59/64/876275964.db2.gz BTOSRBYKPPQPDX-OAHLLOKOSA-N 1 2 378.831 3.826 20 10 GHCDLO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000786581938 876769789 /nfs/dbraw/zinc/76/97/89/876769789.db2.gz JQQSXPSAYHZZTJ-IUODEOHRSA-N 1 2 382.273 3.856 20 10 GHCDLO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)cc(F)c1O ZINC000850562710 877028022 /nfs/dbraw/zinc/02/80/22/877028022.db2.gz PENMRTYZQAXYMK-GTNSWQLSSA-N 1 2 390.293 3.512 20 10 GHCDLO COc1ccc(C(=O)C2CC[NH+](Cc3cc(F)cc(C(C)=O)c3O)CC2)cc1 ZINC000175574887 877327019 /nfs/dbraw/zinc/32/70/19/877327019.db2.gz HYBNYIULGAPJFK-UHFFFAOYSA-N 1 2 385.435 3.837 20 10 GHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)N1CCC[C@H](C(F)(F)F)C1 ZINC000111232729 878957227 /nfs/dbraw/zinc/95/72/27/878957227.db2.gz MAPUSLKXOUTXST-INIZCTEOSA-N 1 2 396.409 3.788 20 10 GHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)N1CCC[C@H](C(F)(F)F)C1 ZINC000111232729 878957238 /nfs/dbraw/zinc/95/72/38/878957238.db2.gz MAPUSLKXOUTXST-INIZCTEOSA-N 1 2 396.409 3.788 20 10 GHCDLO OC1CCN(c2ccc(CNc3[nH+]cnc4[nH]c5cc(F)ccc5c43)cc2)CC1 ZINC000853957931 879401398 /nfs/dbraw/zinc/40/13/98/879401398.db2.gz RWWRXDLMBTYFIV-UHFFFAOYSA-N 1 2 391.450 3.823 20 10 GHCDLO COc1cccc(C[NH2+]Cc2noc(-c3cccc(Br)c3)n2)c1O ZINC000790946519 880092272 /nfs/dbraw/zinc/09/22/72/880092272.db2.gz SAWVWZBKVJIYJI-UHFFFAOYSA-N 1 2 390.237 3.503 20 10 GHCDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)s1 ZINC000792180752 880968163 /nfs/dbraw/zinc/96/81/63/880968163.db2.gz SZHNTUWSSDQBAA-UHFFFAOYSA-N 1 2 392.887 3.820 20 10 GHCDLO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000897601250 884026874 /nfs/dbraw/zinc/02/68/74/884026874.db2.gz GPFKABZAJCUEDZ-UHFFFAOYSA-N 1 2 397.500 3.865 20 10 GHCDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1c(O)cccc1Br ZINC000862356257 884098167 /nfs/dbraw/zinc/09/81/67/884098167.db2.gz ZAMVNKYIOTYHPR-UHFFFAOYSA-N 1 2 397.338 3.663 20 10 GHCDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1c(O)cccc1Br ZINC000862356257 884098183 /nfs/dbraw/zinc/09/81/83/884098183.db2.gz ZAMVNKYIOTYHPR-UHFFFAOYSA-N 1 2 397.338 3.663 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cc(F)cc(F)c1O ZINC000806169156 884422811 /nfs/dbraw/zinc/42/28/11/884422811.db2.gz IPMAWGKCBZELKK-CMPLNLGQSA-N 1 2 380.357 3.655 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000153396475 885092457 /nfs/dbraw/zinc/09/24/57/885092457.db2.gz PVOVWJVSVNVALE-DENIHFKCSA-N 1 2 395.551 3.912 20 10 GHCDLO CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)c1ccccc1 ZINC000795849220 912908009 /nfs/dbraw/zinc/90/80/09/912908009.db2.gz GOMKMTSGDITWCO-BDJLRTHQSA-N 1 2 395.272 3.822 20 10 GHCDLO Cn1c(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)nc2ccccc2c1=O ZINC000795159516 890623710 /nfs/dbraw/zinc/62/37/10/890623710.db2.gz YRBVVPAUIJRXMW-UHFFFAOYSA-N 1 2 376.504 3.556 20 10 GHCDLO Cn1c(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)nc2ccccc2c1=O ZINC000795159516 890623715 /nfs/dbraw/zinc/62/37/15/890623715.db2.gz YRBVVPAUIJRXMW-UHFFFAOYSA-N 1 2 376.504 3.556 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000873862383 891849288 /nfs/dbraw/zinc/84/92/88/891849288.db2.gz PJGLYBDTLDGPSY-QGZVFWFLSA-N 1 2 382.430 3.881 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ncc(Br)cn2)c1O ZINC000814655632 893009266 /nfs/dbraw/zinc/00/92/66/893009266.db2.gz UEFDBNBWKXUNJF-MRVPVSSYSA-N 1 2 384.661 3.652 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)Cc2cccc(C(N)=O)c2)c(C)n1-c1ccccc1 ZINC000918189344 893332935 /nfs/dbraw/zinc/33/29/35/893332935.db2.gz SVISKRXRSAMAPZ-UHFFFAOYSA-N 1 2 375.472 3.508 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)Cc2cccc(C(N)=O)c2)c(C)n1-c1ccccc1 ZINC000918189344 893332952 /nfs/dbraw/zinc/33/29/52/893332952.db2.gz SVISKRXRSAMAPZ-UHFFFAOYSA-N 1 2 375.472 3.508 20 10 GHCDLO COc1cnc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)c(C)c2)[nH]c1=O ZINC000934278821 893520321 /nfs/dbraw/zinc/52/03/21/893520321.db2.gz IGOJFSSQCVRBJU-LJQANCHMSA-N 1 2 382.508 3.827 20 10 GHCDLO COc1cnc([C@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)c(C)c2)[nH]c1=O ZINC000934278821 893520337 /nfs/dbraw/zinc/52/03/37/893520337.db2.gz IGOJFSSQCVRBJU-LJQANCHMSA-N 1 2 382.508 3.827 20 10 GHCDLO C[C@@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000878300063 894177823 /nfs/dbraw/zinc/17/78/23/894177823.db2.gz AOSWREVXXHQQJM-IXDOHACOSA-N 1 2 383.492 3.884 20 10 GHCDLO C[C@@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000878300063 894177833 /nfs/dbraw/zinc/17/78/33/894177833.db2.gz AOSWREVXXHQQJM-IXDOHACOSA-N 1 2 383.492 3.884 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1O ZINC000748051337 894606963 /nfs/dbraw/zinc/60/69/63/894606963.db2.gz QRVXKTNEYOMSQL-IBGZPJMESA-N 1 2 399.466 3.910 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1O ZINC000748051337 894606967 /nfs/dbraw/zinc/60/69/67/894606967.db2.gz QRVXKTNEYOMSQL-IBGZPJMESA-N 1 2 399.466 3.910 20 10 GHCDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)CC2)c1 ZINC000816484443 894851901 /nfs/dbraw/zinc/85/19/01/894851901.db2.gz CKPZHSNIHLBJDU-UHFFFAOYSA-N 1 2 376.859 3.841 20 10 GHCDLO Cn1cc(C(F)F)c(C[NH2+]Cc2cc(Cl)cc(Br)c2O)n1 ZINC000883198933 897361568 /nfs/dbraw/zinc/36/15/68/897361568.db2.gz SXHGHFHMORQJCV-UHFFFAOYSA-N 1 2 380.620 3.769 20 10 GHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)cc2Cl)C1 ZINC000844140254 900550331 /nfs/dbraw/zinc/55/03/31/900550331.db2.gz VNSBLUXXVGQNQC-DOTOQJQBSA-N 1 2 386.927 3.652 20 10 GHCDLO COc1c(O)c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795435 921170034 /nfs/dbraw/zinc/17/00/34/921170034.db2.gz NLHOVFXLDIWKJI-CXAGYDPISA-N 1 2 391.493 3.543 20 10 GHCDLO COc1c(O)c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795435 921170040 /nfs/dbraw/zinc/17/00/40/921170040.db2.gz NLHOVFXLDIWKJI-CXAGYDPISA-N 1 2 391.493 3.543 20 10 GHCDLO COc1c([O-])c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795435 921170337 /nfs/dbraw/zinc/17/03/37/921170337.db2.gz NLHOVFXLDIWKJI-CXAGYDPISA-N 1 2 391.493 3.543 20 10 GHCDLO COc1c(O)c(CNc2cccc3c2CN(c2cccc[nH+]2)C3)ccc1[N+](=O)[O-] ZINC000365808136 921177391 /nfs/dbraw/zinc/17/73/91/921177391.db2.gz YOMYVYOTRWBTEV-UHFFFAOYSA-N 1 2 392.415 3.836 20 10 GHCDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000266697020 909263778 /nfs/dbraw/zinc/26/37/78/909263778.db2.gz BSNHQXHOTWARDN-FUHWJXTLSA-N 1 2 389.496 3.690 20 10 GHCDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000266697020 909263795 /nfs/dbraw/zinc/26/37/95/909263795.db2.gz BSNHQXHOTWARDN-FUHWJXTLSA-N 1 2 389.496 3.690 20 10 GHCDLO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(Br)cc(F)c1O ZINC000368477095 922699860 /nfs/dbraw/zinc/69/98/60/922699860.db2.gz BMPRIVFAINUHEP-LLVKDONJSA-N 1 2 382.277 3.720 20 10 GHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2Cl)C1 ZINC000374371120 927066030 /nfs/dbraw/zinc/06/60/30/927066030.db2.gz IAWMNKLFRJJKER-RDJZCZTQSA-N 1 2 386.927 3.652 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1F ZINC000828101047 935578516 /nfs/dbraw/zinc/57/85/16/935578516.db2.gz TXSLTPKVSCUCOC-UHFFFAOYSA-N 1 2 383.515 3.620 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1F ZINC000828101047 935578521 /nfs/dbraw/zinc/57/85/21/935578521.db2.gz TXSLTPKVSCUCOC-UHFFFAOYSA-N 1 2 383.515 3.620 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2nnn(CC)c21 ZINC001137856332 935827961 /nfs/dbraw/zinc/82/79/61/935827961.db2.gz ZNUKNUSOGJIMIE-HXUWFJFHSA-N 1 2 393.535 3.841 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2nnn(CC)c21 ZINC001137856332 935827966 /nfs/dbraw/zinc/82/79/66/935827966.db2.gz ZNUKNUSOGJIMIE-HXUWFJFHSA-N 1 2 393.535 3.841 20 10 GHCDLO C[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C[C@@]1(C)O ZINC001203565297 1027437234 /nfs/dbraw/zinc/43/72/34/1027437234.db2.gz ZBUTYBLBIYHYQN-YMTOWFKASA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C[C@@]1(C)O ZINC001203565297 1027437240 /nfs/dbraw/zinc/43/72/40/1027437240.db2.gz ZBUTYBLBIYHYQN-YMTOWFKASA-N 1 2 393.119 3.510 20 10 GHCDLO C[N@H+](Cc1cnc(Cl)s1)Cc1cccc(I)c1O ZINC001237775377 1042363858 /nfs/dbraw/zinc/36/38/58/1042363858.db2.gz FSUNZWITSRVHPM-UHFFFAOYSA-N 1 2 394.665 3.739 20 10 GHCDLO C[N@@H+](Cc1cnc(Cl)s1)Cc1cccc(I)c1O ZINC001237775377 1042363861 /nfs/dbraw/zinc/36/38/61/1042363861.db2.gz FSUNZWITSRVHPM-UHFFFAOYSA-N 1 2 394.665 3.739 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC001204248983 1032691270 /nfs/dbraw/zinc/69/12/70/1032691270.db2.gz LBCXZALFWFVSAK-UHFFFAOYSA-N 1 2 376.229 3.770 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCC1(F)F ZINC001140341771 1021451833 /nfs/dbraw/zinc/45/18/33/1021451833.db2.gz HEKHEAIAQZSBPP-AWEZNQCLSA-N 1 2 376.831 3.780 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCC1(F)F ZINC001140341771 1021451841 /nfs/dbraw/zinc/45/18/41/1021451841.db2.gz HEKHEAIAQZSBPP-AWEZNQCLSA-N 1 2 376.831 3.780 20 10 GHCDLO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(F)cc(F)c3O)C2)c1 ZINC000756650716 1023754756 /nfs/dbraw/zinc/75/47/56/1023754756.db2.gz PIVIDQZSBZZKAC-KGLIPLIRSA-N 1 2 392.446 3.865 20 10 GHCDLO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Br)cc(F)c1O ZINC000756658466 1023757854 /nfs/dbraw/zinc/75/78/54/1023757854.db2.gz JTAZCQZXBMFVEH-MRVPVSSYSA-N 1 2 396.182 3.903 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cc(Br)c(F)cc1O ZINC000756768937 1023807989 /nfs/dbraw/zinc/80/79/89/1023807989.db2.gz BGYVEWKUSMRFSI-NWDGAFQWSA-N 1 2 380.261 3.618 20 10 GHCDLO C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(Br)c(F)cc1O ZINC000756768682 1023808105 /nfs/dbraw/zinc/80/81/05/1023808105.db2.gz GCMXIFDEKFRXIQ-JTQLQIEISA-N 1 2 380.261 3.855 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(O)ccc2O)[C@H](c2ccccc2)C1 ZINC001141156210 1023982028 /nfs/dbraw/zinc/98/20/28/1023982028.db2.gz HCKOCUHEJJYMTQ-IBGZPJMESA-N 1 2 384.476 3.892 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(O)ccc2O)[C@H](c2ccccc2)C1 ZINC001141156210 1023982030 /nfs/dbraw/zinc/98/20/30/1023982030.db2.gz HCKOCUHEJJYMTQ-IBGZPJMESA-N 1 2 384.476 3.892 20 10 GHCDLO O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138219658 1024392868 /nfs/dbraw/zinc/39/28/68/1024392868.db2.gz LEKJSORZPYQHTB-UHFFFAOYSA-N 1 2 381.495 3.774 20 10 GHCDLO Cc1c(C[N@@H+]2Cc3nn(C)cc3[C@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138253868 1024475416 /nfs/dbraw/zinc/47/54/16/1024475416.db2.gz JNPYAKSEWVLSOM-SFHVURJKSA-N 1 2 378.520 3.746 20 10 GHCDLO Cc1c(C[N@H+]2Cc3nn(C)cc3[C@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138253868 1024475421 /nfs/dbraw/zinc/47/54/21/1024475421.db2.gz JNPYAKSEWVLSOM-SFHVURJKSA-N 1 2 378.520 3.746 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)c(OC)c1 ZINC001138386538 1024757375 /nfs/dbraw/zinc/75/73/75/1024757375.db2.gz QEJQXXDUJBZDAI-OAQYLSRUSA-N 1 2 379.504 3.554 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)c(OC)c1 ZINC001138386538 1024757385 /nfs/dbraw/zinc/75/73/85/1024757385.db2.gz QEJQXXDUJBZDAI-OAQYLSRUSA-N 1 2 379.504 3.554 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001141373323 1024762168 /nfs/dbraw/zinc/76/21/68/1024762168.db2.gz YTZOJCHZKOSFTM-UHFFFAOYSA-N 1 2 382.689 3.978 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146891 1025642365 /nfs/dbraw/zinc/64/23/65/1025642365.db2.gz ZIAPKZIFXYMFPT-UHFFFAOYSA-N 1 2 386.801 3.589 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001139127739 1025940063 /nfs/dbraw/zinc/94/00/63/1025940063.db2.gz OQWVSMGHNUKXDY-MMOPVJDHSA-N 1 2 383.488 3.834 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001139127739 1025940068 /nfs/dbraw/zinc/94/00/68/1025940068.db2.gz OQWVSMGHNUKXDY-MMOPVJDHSA-N 1 2 383.488 3.834 20 10 GHCDLO Cc1cc(C)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(C)[nH+]1 ZINC000839525014 1026008610 /nfs/dbraw/zinc/00/86/10/1026008610.db2.gz MZHFDHXIDWIUBY-UHFFFAOYSA-N 1 2 380.492 3.751 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2Cc1c(O)cccc1Br ZINC001140100035 1026877616 /nfs/dbraw/zinc/87/76/16/1026877616.db2.gz BQUXNQVZJYSECI-HUUCEWRRSA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2Cc1c(O)cccc1Br ZINC001140100035 1026877637 /nfs/dbraw/zinc/87/76/37/1026877637.db2.gz BQUXNQVZJYSECI-HUUCEWRRSA-N 1 2 397.313 3.738 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)Cc2c1cnn2CC ZINC001140100023 1026878026 /nfs/dbraw/zinc/87/80/26/1026878026.db2.gz BKJCYRHTSGRDTH-ZDUSSCGKSA-N 1 2 394.313 3.507 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)Cc2c1cnn2CC ZINC001140100023 1026878038 /nfs/dbraw/zinc/87/80/38/1026878038.db2.gz BKJCYRHTSGRDTH-ZDUSSCGKSA-N 1 2 394.313 3.507 20 10 GHCDLO Oc1cccc(Br)c1C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001140103010 1026883981 /nfs/dbraw/zinc/88/39/81/1026883981.db2.gz DRLNTUGLLUCQLZ-UHFFFAOYSA-N 1 2 384.277 3.899 20 10 GHCDLO Oc1cccc(Br)c1C[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001140103010 1026883986 /nfs/dbraw/zinc/88/39/86/1026883986.db2.gz DRLNTUGLLUCQLZ-UHFFFAOYSA-N 1 2 384.277 3.899 20 10 GHCDLO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)C1 ZINC000840977426 1028018239 /nfs/dbraw/zinc/01/82/39/1028018239.db2.gz HQJFSPKNAASYME-BXKDBHETSA-N 1 2 393.119 3.558 20 10 GHCDLO Nc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000841301625 1028392732 /nfs/dbraw/zinc/39/27/32/1028392732.db2.gz BFWGZBVBYXUEAQ-UHFFFAOYSA-N 1 2 378.398 3.637 20 10 GHCDLO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(Br)c2O)cc1 ZINC001461432197 1069547127 /nfs/dbraw/zinc/54/71/27/1069547127.db2.gz NTUTYULYBQUBBE-OAHLLOKOSA-N 1 2 384.701 3.810 20 10 GHCDLO COC(=O)N1CCN(c2ccc(N[C@@H](C)c3ccc(Cl)cc3O)c[nH+]2)CC1 ZINC000841758320 1028916022 /nfs/dbraw/zinc/91/60/22/1028916022.db2.gz SGRQCDBWTARUSS-ZDUSSCGKSA-N 1 2 390.871 3.502 20 10 GHCDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001223196305 1030480742 /nfs/dbraw/zinc/48/07/42/1030480742.db2.gz DSPDTHJNKMHION-JOCHJYFZSA-N 1 2 398.526 3.870 20 10 GHCDLO COc1ccc(C[NH2+]Cc2nnc([C@@H]3C[C@H]3c3ccc(Cl)cc3)o2)c(O)c1 ZINC001217717509 1030626088 /nfs/dbraw/zinc/62/60/88/1030626088.db2.gz CXCIIVJTDBUXCY-DLBZAZTESA-N 1 2 385.851 3.998 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277387627 1033483877 /nfs/dbraw/zinc/48/38/77/1033483877.db2.gz MROICDNWXOIJSZ-FQEVSTJZSA-N 1 2 380.891 3.942 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277387627 1033483886 /nfs/dbraw/zinc/48/38/86/1033483886.db2.gz MROICDNWXOIJSZ-FQEVSTJZSA-N 1 2 380.891 3.942 20 10 GHCDLO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001461885399 1069837681 /nfs/dbraw/zinc/83/76/81/1069837681.db2.gz PIZFXZCJBUSAJX-NSHDSACASA-N 1 2 384.705 3.921 20 10 GHCDLO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001461885399 1069837686 /nfs/dbraw/zinc/83/76/86/1069837686.db2.gz PIZFXZCJBUSAJX-NSHDSACASA-N 1 2 384.705 3.921 20 10 GHCDLO Cc1cc(C)c(C[N@@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)c(O)c1 ZINC001231843825 1034937954 /nfs/dbraw/zinc/93/79/54/1034937954.db2.gz BOEYBXZTPWENMJ-QGZVFWFLSA-N 1 2 378.476 3.756 20 10 GHCDLO Cc1cc(C)c(C[N@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)c(O)c1 ZINC001231843825 1034937955 /nfs/dbraw/zinc/93/79/55/1034937955.db2.gz BOEYBXZTPWENMJ-QGZVFWFLSA-N 1 2 378.476 3.756 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)cc1Cl ZINC001231867657 1034953778 /nfs/dbraw/zinc/95/37/78/1034953778.db2.gz PHVXSWIRNLPNKM-INIZCTEOSA-N 1 2 377.916 3.860 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)cc1Cl ZINC001231867657 1034953780 /nfs/dbraw/zinc/95/37/80/1034953780.db2.gz PHVXSWIRNLPNKM-INIZCTEOSA-N 1 2 377.916 3.860 20 10 GHCDLO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)N1Cc1ccncc1 ZINC001231910441 1034984772 /nfs/dbraw/zinc/98/47/72/1034984772.db2.gz PYISVNLDVFQCKR-OAQYLSRUSA-N 1 2 385.895 3.598 20 10 GHCDLO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)N1Cc1ccncc1 ZINC001231910441 1034984778 /nfs/dbraw/zinc/98/47/78/1034984778.db2.gz PYISVNLDVFQCKR-OAQYLSRUSA-N 1 2 385.895 3.598 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1cccc(Cl)c1O)C[C@@H]2COCC1CC1 ZINC001231909529 1034984799 /nfs/dbraw/zinc/98/47/99/1034984799.db2.gz BUJFHBNZRLJMJO-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H]2COCC1CC1 ZINC001231909529 1034984803 /nfs/dbraw/zinc/98/48/03/1034984803.db2.gz BUJFHBNZRLJMJO-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO CN(Cc1ccccc1F)C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263745 1037984463 /nfs/dbraw/zinc/98/44/63/1037984463.db2.gz VCXUHAUPRWYPFT-UHFFFAOYSA-N 1 2 378.875 3.987 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)cc1Cl ZINC001232265914 1037986144 /nfs/dbraw/zinc/98/61/44/1037986144.db2.gz HEJZGOYMXIKSHM-CQSZACIVSA-N 1 2 378.875 3.900 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)cc1Cl ZINC001232265914 1037986145 /nfs/dbraw/zinc/98/61/45/1037986145.db2.gz HEJZGOYMXIKSHM-CQSZACIVSA-N 1 2 378.875 3.900 20 10 GHCDLO COc1cc(O)c(CN2CC[N@H+](Cc3ccc(F)cc3)C[C@H]2C)cc1Cl ZINC001232265914 1037986152 /nfs/dbraw/zinc/98/61/52/1037986152.db2.gz HEJZGOYMXIKSHM-CQSZACIVSA-N 1 2 378.875 3.900 20 10 GHCDLO COc1cc(O)c(CN2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]2C)cc1Cl ZINC001232265914 1037986159 /nfs/dbraw/zinc/98/61/59/1037986159.db2.gz HEJZGOYMXIKSHM-CQSZACIVSA-N 1 2 378.875 3.900 20 10 GHCDLO COC(=O)c1c(C[N@@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)c2ccccc2n1C ZINC001232406074 1038189668 /nfs/dbraw/zinc/18/96/68/1038189668.db2.gz SQUUSKKVTWSPKM-QHCPKHFHSA-N 1 2 396.462 3.852 20 10 GHCDLO COC(=O)c1c(C[N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)c2ccccc2n1C ZINC001232406074 1038189675 /nfs/dbraw/zinc/18/96/75/1038189675.db2.gz SQUUSKKVTWSPKM-QHCPKHFHSA-N 1 2 396.462 3.852 20 10 GHCDLO Cc1nc(C[N@@H+]2CCc3c(Cl)c(O)c(O)cc3[C@@H](c3ccc(O)cc3)C2)c[nH]1 ZINC001232465222 1038248909 /nfs/dbraw/zinc/24/89/09/1038248909.db2.gz YUUAOPVNUUDGLZ-GOSISDBHSA-N 1 2 399.878 3.679 20 10 GHCDLO Cc1nc(C[N@H+]2CCc3c(Cl)c(O)c(O)cc3[C@@H](c3ccc(O)cc3)C2)c[nH]1 ZINC001232465222 1038248925 /nfs/dbraw/zinc/24/89/25/1038248925.db2.gz YUUAOPVNUUDGLZ-GOSISDBHSA-N 1 2 399.878 3.679 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccnc3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001232537141 1038304321 /nfs/dbraw/zinc/30/43/21/1038304321.db2.gz BXLUGCZQJYTIHD-UHFFFAOYSA-N 1 2 398.507 3.759 20 10 GHCDLO Cn1nc(COCC2CC2)c2c1CC[N@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233417900 1039276869 /nfs/dbraw/zinc/27/68/69/1039276869.db2.gz MJIPWDGHOHYCSF-UHFFFAOYSA-N 1 2 395.425 3.629 20 10 GHCDLO Cn1nc(COCC2CC2)c2c1CC[N@@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233417900 1039276882 /nfs/dbraw/zinc/27/68/82/1039276882.db2.gz MJIPWDGHOHYCSF-UHFFFAOYSA-N 1 2 395.425 3.629 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1)c1cccc(F)c1 ZINC001233420095 1039283098 /nfs/dbraw/zinc/28/30/98/1039283098.db2.gz ZLZSZUSXSYHGGY-MRXNPFEDSA-N 1 2 396.384 3.945 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1)c1cccc(F)c1 ZINC001233420095 1039283106 /nfs/dbraw/zinc/28/31/06/1039283106.db2.gz ZLZSZUSXSYHGGY-MRXNPFEDSA-N 1 2 396.384 3.945 20 10 GHCDLO Oc1c(CN2CC3(CC[N@@H+]3Cc3ccccc3)C2)cccc1OC(F)(F)F ZINC001233761354 1039596511 /nfs/dbraw/zinc/59/65/11/1039596511.db2.gz SIGKSLKIXGVARX-UHFFFAOYSA-N 1 2 378.394 3.751 20 10 GHCDLO Oc1c(CN2CC3(CC[N@H+]3Cc3ccccc3)C2)cccc1OC(F)(F)F ZINC001233761354 1039596515 /nfs/dbraw/zinc/59/65/15/1039596515.db2.gz SIGKSLKIXGVARX-UHFFFAOYSA-N 1 2 378.394 3.751 20 10 GHCDLO CC[C@@H]1[N@H+](Cc2cc(F)cc(Br)c2O)CCC[C@]12CCC(=O)N2C ZINC001235299428 1040770874 /nfs/dbraw/zinc/77/08/74/1040770874.db2.gz UMXRVGSMPHWPPM-YJBOKZPZSA-N 1 2 399.304 3.659 20 10 GHCDLO CC[C@@H]1[N@@H+](Cc2cc(F)cc(Br)c2O)CCC[C@]12CCC(=O)N2C ZINC001235299428 1040770889 /nfs/dbraw/zinc/77/08/89/1040770889.db2.gz UMXRVGSMPHWPPM-YJBOKZPZSA-N 1 2 399.304 3.659 20 10 GHCDLO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235302394 1040774653 /nfs/dbraw/zinc/77/46/53/1040774653.db2.gz PYDYMPCQTOWEGV-GOSISDBHSA-N 1 2 399.304 3.661 20 10 GHCDLO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235302394 1040774670 /nfs/dbraw/zinc/77/46/70/1040774670.db2.gz PYDYMPCQTOWEGV-GOSISDBHSA-N 1 2 399.304 3.661 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001236669180 1041816453 /nfs/dbraw/zinc/81/64/53/1041816453.db2.gz HJSZCBGXVAYPDQ-UHFFFAOYSA-N 1 2 399.329 3.810 20 10 GHCDLO O=C(c1ccccc1)C1CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236773213 1041883157 /nfs/dbraw/zinc/88/31/57/1041883157.db2.gz PWAJFUSNDWDLMF-UHFFFAOYSA-N 1 2 390.277 3.955 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236796026 1041900981 /nfs/dbraw/zinc/90/09/81/1041900981.db2.gz MWELPRGKLDWCNQ-AAEUAGOBSA-N 1 2 381.259 3.639 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236796026 1041900985 /nfs/dbraw/zinc/90/09/85/1041900985.db2.gz MWELPRGKLDWCNQ-AAEUAGOBSA-N 1 2 381.259 3.639 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236800990 1041902996 /nfs/dbraw/zinc/90/29/96/1041902996.db2.gz BACQLBIOWOGPCR-LJQANCHMSA-N 1 2 382.888 3.640 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236800990 1041902997 /nfs/dbraw/zinc/90/29/97/1041902997.db2.gz BACQLBIOWOGPCR-LJQANCHMSA-N 1 2 382.888 3.640 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236803517 1041905875 /nfs/dbraw/zinc/90/58/75/1041905875.db2.gz VADPOIFBMYCCIJ-CQSZACIVSA-N 1 2 384.904 3.933 20 10 GHCDLO COc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236803517 1041905877 /nfs/dbraw/zinc/90/58/77/1041905877.db2.gz VADPOIFBMYCCIJ-CQSZACIVSA-N 1 2 384.904 3.933 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c(O)c1Cl ZINC001236807864 1041909069 /nfs/dbraw/zinc/90/90/69/1041909069.db2.gz UKQOGMSOMAFTAP-AEFFLSMTSA-N 1 2 388.895 3.678 20 10 GHCDLO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c(O)c1Cl ZINC001236807864 1041909072 /nfs/dbraw/zinc/90/90/72/1041909072.db2.gz UKQOGMSOMAFTAP-AEFFLSMTSA-N 1 2 388.895 3.678 20 10 GHCDLO COc1ccc(C[NH+]2CCC(N(C)C(=O)c3ccccc3)CC2)c(O)c1Cl ZINC001236809872 1041910303 /nfs/dbraw/zinc/91/03/03/1041910303.db2.gz OUCBLAHKVAOWDH-UHFFFAOYSA-N 1 2 388.895 3.791 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c(O)c1Cl ZINC001236812175 1041912402 /nfs/dbraw/zinc/91/24/02/1041912402.db2.gz SOBVZAHQVADKEI-JTQLQIEISA-N 1 2 391.777 3.836 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c(O)c1Cl ZINC001236812175 1041912405 /nfs/dbraw/zinc/91/24/05/1041912405.db2.gz SOBVZAHQVADKEI-JTQLQIEISA-N 1 2 391.777 3.836 20 10 GHCDLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001237080094 1042025275 /nfs/dbraw/zinc/02/52/75/1042025275.db2.gz JXTSQGCKRZJIJY-KGLIPLIRSA-N 1 2 398.315 3.645 20 10 GHCDLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001237080094 1042025282 /nfs/dbraw/zinc/02/52/82/1042025282.db2.gz JXTSQGCKRZJIJY-KGLIPLIRSA-N 1 2 398.315 3.645 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001237080063 1042025411 /nfs/dbraw/zinc/02/54/11/1042025411.db2.gz RJBBFHXPRZSYJD-GJZGRUSLSA-N 1 2 378.303 3.658 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001237121048 1042048788 /nfs/dbraw/zinc/04/87/88/1042048788.db2.gz IJLZQXMVBHVZMR-RPVQJOFSSA-N 1 2 392.858 3.638 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001237121048 1042048793 /nfs/dbraw/zinc/04/87/93/1042048793.db2.gz IJLZQXMVBHVZMR-RPVQJOFSSA-N 1 2 392.858 3.638 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)Cc2c1cnn2CC1CC1 ZINC001237123221 1042050686 /nfs/dbraw/zinc/05/06/86/1042050686.db2.gz IWTKZCRGHOKFEP-AWEZNQCLSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)Cc2c1cnn2CC1CC1 ZINC001237123221 1042050687 /nfs/dbraw/zinc/05/06/87/1042050687.db2.gz IWTKZCRGHOKFEP-AWEZNQCLSA-N 1 2 393.890 3.927 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001237124840 1042052488 /nfs/dbraw/zinc/05/24/88/1042052488.db2.gz OGXMMNJVSJBDIQ-UHFFFAOYSA-N 1 2 398.869 3.997 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001237124840 1042052493 /nfs/dbraw/zinc/05/24/93/1042052493.db2.gz OGXMMNJVSJBDIQ-UHFFFAOYSA-N 1 2 398.869 3.997 20 10 GHCDLO C[C@]1(O)CCCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783495 1042367516 /nfs/dbraw/zinc/36/75/16/1042367516.db2.gz JIPBWIUUZATHRD-AWEZNQCLSA-N 1 2 382.220 3.910 20 10 GHCDLO C[C@]1(O)CCCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783495 1042367519 /nfs/dbraw/zinc/36/75/19/1042367519.db2.gz JIPBWIUUZATHRD-AWEZNQCLSA-N 1 2 382.220 3.910 20 10 GHCDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237791323 1042371552 /nfs/dbraw/zinc/37/15/52/1042371552.db2.gz IZASTDVBNKVDSG-LBPRGKRZSA-N 1 2 398.219 3.803 20 10 GHCDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237791323 1042371555 /nfs/dbraw/zinc/37/15/55/1042371555.db2.gz IZASTDVBNKVDSG-LBPRGKRZSA-N 1 2 398.219 3.803 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237801598 1042377412 /nfs/dbraw/zinc/37/74/12/1042377412.db2.gz WGJNLWBZTMOLPT-MLGOLLRUSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237801598 1042377413 /nfs/dbraw/zinc/37/74/13/1042377413.db2.gz WGJNLWBZTMOLPT-MLGOLLRUSA-N 1 2 381.904 3.738 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)Cc2cn(CC3CC3)nc21 ZINC001237938591 1042429542 /nfs/dbraw/zinc/42/95/42/1042429542.db2.gz KXPAJAFQPJEQFV-INIZCTEOSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)Cc2cn(CC3CC3)nc21 ZINC001237938591 1042429545 /nfs/dbraw/zinc/42/95/45/1042429545.db2.gz KXPAJAFQPJEQFV-INIZCTEOSA-N 1 2 393.890 3.927 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001237938601 1042429558 /nfs/dbraw/zinc/42/95/58/1042429558.db2.gz LCOLTXURLLDGAW-DFQSSKMNSA-N 1 2 392.858 3.528 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001237938601 1042429559 /nfs/dbraw/zinc/42/95/59/1042429559.db2.gz LCOLTXURLLDGAW-DFQSSKMNSA-N 1 2 392.858 3.528 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1F ZINC001237949468 1042435181 /nfs/dbraw/zinc/43/51/81/1042435181.db2.gz MQCGQJUMJVINRN-OCCSQVGLSA-N 1 2 376.831 3.622 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1F ZINC001237949468 1042435186 /nfs/dbraw/zinc/43/51/86/1042435186.db2.gz MQCGQJUMJVINRN-OCCSQVGLSA-N 1 2 376.831 3.622 20 10 GHCDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)cc1Cl ZINC001307575272 1049415772 /nfs/dbraw/zinc/41/57/72/1049415772.db2.gz WCJIIVBEDTZLDN-UHFFFAOYSA-N 1 2 392.858 3.597 20 10 GHCDLO Cc1ccc([C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)N2CCOCC2)cc1 ZINC001308216447 1049916198 /nfs/dbraw/zinc/91/61/98/1049916198.db2.gz RSSHQCFDRJILHH-LJQANCHMSA-N 1 2 378.875 3.656 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC001308446946 1049978220 /nfs/dbraw/zinc/97/82/20/1049978220.db2.gz FEPBCDKTNCSINB-LBPRGKRZSA-N 1 2 384.270 3.937 20 10 GHCDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC001308592996 1050023747 /nfs/dbraw/zinc/02/37/47/1050023747.db2.gz YTICRPUFUPUPEB-ARJAWSKDSA-N 1 2 385.458 3.502 20 10 GHCDLO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1F ZINC001308595594 1050025352 /nfs/dbraw/zinc/02/53/52/1050025352.db2.gz XWLGJOUNNXIBLH-OAHLLOKOSA-N 1 2 383.483 3.862 20 10 GHCDLO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1F ZINC001308595594 1050025355 /nfs/dbraw/zinc/02/53/55/1050025355.db2.gz XWLGJOUNNXIBLH-OAHLLOKOSA-N 1 2 383.483 3.862 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c(Cl)c1 ZINC001308612231 1050032419 /nfs/dbraw/zinc/03/24/19/1050032419.db2.gz NFMJPIQUBOXQAG-UHFFFAOYSA-N 1 2 376.859 3.760 20 10 GHCDLO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Cl)cc(Br)c1O ZINC001308748509 1050080478 /nfs/dbraw/zinc/08/04/78/1050080478.db2.gz OPTRMIHCOXHBNG-UHFFFAOYSA-N 1 2 383.673 3.539 20 10 GHCDLO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Cl)cc(Br)c1O ZINC001308748509 1050080480 /nfs/dbraw/zinc/08/04/80/1050080480.db2.gz OPTRMIHCOXHBNG-UHFFFAOYSA-N 1 2 383.673 3.539 20 10 GHCDLO COc1c2ccccc2oc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320685188 1055927624 /nfs/dbraw/zinc/92/76/24/1055927624.db2.gz KELGSVOWOOIOPE-UHFFFAOYSA-N 1 2 383.467 3.622 20 10 GHCDLO O=C(c1c(F)cccc1F)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323303114 1056950707 /nfs/dbraw/zinc/95/07/07/1056950707.db2.gz JZNIMAISFDGBMZ-UHFFFAOYSA-N 1 2 385.458 3.523 20 10 GHCDLO c1ccc(CN2CCc3cc(C[NH2+]Cc4nc([C@@H]5CCCO5)n[nH]4)ccc32)cc1 ZINC000848563234 1057180974 /nfs/dbraw/zinc/18/09/74/1057180974.db2.gz SJMWYNSPPIQQKD-NRFANRHFSA-N 1 2 389.503 3.509 20 10 GHCDLO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cc(Br)cc(F)c1O ZINC001337795157 1058267122 /nfs/dbraw/zinc/26/71/22/1058267122.db2.gz BXHXBGBXYJBWTL-NEPJUHHUSA-N 1 2 387.293 3.593 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1 ZINC001456340670 1062625146 /nfs/dbraw/zinc/62/51/46/1062625146.db2.gz JJDXIOGQCXFIAX-UHFFFAOYSA-N 1 2 378.476 3.612 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1 ZINC001456340670 1062625160 /nfs/dbraw/zinc/62/51/60/1062625160.db2.gz JJDXIOGQCXFIAX-UHFFFAOYSA-N 1 2 378.476 3.612 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CCC(Cc4c[nH]c[nH+]4)CC3)ccc21 ZINC001350826336 1064197328 /nfs/dbraw/zinc/19/73/28/1064197328.db2.gz GVGUDFVRDHNJCS-UHFFFAOYSA-N 1 2 394.519 3.723 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@H]3CCCN(c4cccc(F)c4)C3=O)CC2)cc1 ZINC001459797689 1064222098 /nfs/dbraw/zinc/22/20/98/1064222098.db2.gz OWEZCBCLMJIBQF-QFIPXVFZSA-N 1 2 397.494 3.542 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001460233715 1068875813 /nfs/dbraw/zinc/87/58/13/1068875813.db2.gz MOALRKBTFURUOZ-SUMWQHHRSA-N 1 2 394.899 3.689 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC001460233715 1068875822 /nfs/dbraw/zinc/87/58/22/1068875822.db2.gz MOALRKBTFURUOZ-SUMWQHHRSA-N 1 2 394.899 3.689 20 10 GHCDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)(C)C1 ZINC001460705855 1069104073 /nfs/dbraw/zinc/10/40/73/1069104073.db2.gz FZONKSOISVPQAJ-AWEZNQCLSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)(C)C1 ZINC001460705855 1069104086 /nfs/dbraw/zinc/10/40/86/1069104086.db2.gz FZONKSOISVPQAJ-AWEZNQCLSA-N 1 2 376.456 3.521 20 10 GHCDLO COc1ccc(COCC[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001474093577 1074261909 /nfs/dbraw/zinc/26/19/09/1074261909.db2.gz SXPQLMVFVHCJQR-UHFFFAOYSA-N 1 2 384.245 3.609 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]CCOC1CCSCC1 ZINC001474291334 1074327771 /nfs/dbraw/zinc/32/77/71/1074327771.db2.gz NTLMXERNQQXPNA-UHFFFAOYSA-N 1 2 380.735 3.810 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001474391992 1074381961 /nfs/dbraw/zinc/38/19/61/1074381961.db2.gz REOZHAKRXHFOHY-QGZVFWFLSA-N 1 2 384.220 3.526 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001474391992 1074381966 /nfs/dbraw/zinc/38/19/66/1074381966.db2.gz REOZHAKRXHFOHY-QGZVFWFLSA-N 1 2 384.220 3.526 20 10 GHCDLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccccc2F)Cc2c(O)ccc3ccccc32)C1 ZINC000176990743 835435894 /nfs/dbraw/zinc/43/58/94/835435894.db2.gz QRIPAUGWIRLROW-SFHVURJKSA-N 1 2 399.487 3.874 20 10 GHCDLO O=S1(=O)CC[C@H]([N@H+](Cc2ccccc2F)Cc2c(O)ccc3ccccc32)C1 ZINC000176990743 835435899 /nfs/dbraw/zinc/43/58/99/835435899.db2.gz QRIPAUGWIRLROW-SFHVURJKSA-N 1 2 399.487 3.874 20 10 GHCDLO Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001279106153 835577680 /nfs/dbraw/zinc/57/76/80/835577680.db2.gz HTFXRRPTAIEBOW-UHFFFAOYSA-N 1 2 379.476 3.533 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1O ZINC000177584344 836838151 /nfs/dbraw/zinc/83/81/51/836838151.db2.gz PKHUYHDVKHATCL-GOSISDBHSA-N 1 2 381.900 3.798 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Br)cc(F)c1O ZINC000363862292 839312387 /nfs/dbraw/zinc/31/23/87/839312387.db2.gz YOJOBGBJLPMIOI-LLVKDONJSA-N 1 2 391.244 3.725 20 10 GHCDLO Cn1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)n1 ZINC000363868891 839351977 /nfs/dbraw/zinc/35/19/77/839351977.db2.gz SMJBVXCAFYBZJR-QFIPXVFZSA-N 1 2 396.922 3.789 20 10 GHCDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc([N+](=O)[O-])cc1 ZINC000272470197 847085305 /nfs/dbraw/zinc/08/53/05/847085305.db2.gz ACWLLNDHGAOVDC-OAQYLSRUSA-N 1 2 391.475 3.590 20 10 GHCDLO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000732127523 862079590 /nfs/dbraw/zinc/07/95/90/862079590.db2.gz JIECLBGFDRGTML-QFIPXVFZSA-N 1 2 395.547 3.729 20 10 GHCDLO Fc1cc(C[NH2+]Cc2csc(C(F)(F)F)n2)cc(F)c1N1CCOCC1 ZINC000894844056 852961240 /nfs/dbraw/zinc/96/12/40/852961240.db2.gz VUQFNBFZZPTUFB-UHFFFAOYSA-N 1 2 393.381 3.567 20 10 GHCDLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c(C)n1-c1ccccc1Br ZINC000733983249 863900067 /nfs/dbraw/zinc/90/00/67/863900067.db2.gz KFEKNQNLRUWTRV-UHFFFAOYSA-N 1 2 399.292 3.750 20 10 GHCDLO C[C@H]([NH2+]C1(c2ncc(Br)cn2)CCC1)c1cc(F)cc(F)c1O ZINC000927148428 864677134 /nfs/dbraw/zinc/67/71/34/864677134.db2.gz UJQAAKGYWLHCBF-VIFPVBQESA-N 1 2 384.224 3.953 20 10 GHCDLO CN(C)c1ccc(C[NH2+]Cc2n[nH]cc2Br)c(C(F)(F)F)c1 ZINC000792993168 881865232 /nfs/dbraw/zinc/86/52/32/881865232.db2.gz WBWQDMNDSCQLQU-UHFFFAOYSA-N 1 2 377.208 3.547 20 10 GHCDLO CN(C)c1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000793031562 881881005 /nfs/dbraw/zinc/88/10/05/881881005.db2.gz LPVNVUMFEIIXEN-UHFFFAOYSA-N 1 2 394.441 3.740 20 10 GHCDLO COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000740450308 865912822 /nfs/dbraw/zinc/91/28/22/865912822.db2.gz QXYWEBANVNVKCA-HNNXBMFYSA-N 1 2 396.447 3.559 20 10 GHCDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775668362 872564854 /nfs/dbraw/zinc/56/48/54/872564854.db2.gz XIVJHEQJWJDWNH-OAHLLOKOSA-N 1 2 381.810 3.720 20 10 GHCDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775668362 872564860 /nfs/dbraw/zinc/56/48/60/872564860.db2.gz XIVJHEQJWJDWNH-OAHLLOKOSA-N 1 2 381.810 3.720 20 10 GHCDLO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775723108 873159527 /nfs/dbraw/zinc/15/95/27/873159527.db2.gz DLSMAMYDNFPADD-LLVKDONJSA-N 1 2 396.812 3.808 20 10 GHCDLO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775723108 873159530 /nfs/dbraw/zinc/15/95/30/873159530.db2.gz DLSMAMYDNFPADD-LLVKDONJSA-N 1 2 396.812 3.808 20 10 GHCDLO O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000777001803 882785841 /nfs/dbraw/zinc/78/58/41/882785841.db2.gz ZKQOAVBBWXVDDH-UHFFFAOYSA-N 1 2 394.438 3.893 20 10 GHCDLO CN(C)[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)c1cccc(F)c1 ZINC001198970091 874733469 /nfs/dbraw/zinc/73/34/69/874733469.db2.gz UDMUOYOQSFSMJM-MRXNPFEDSA-N 1 2 385.252 3.825 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCCSC1 ZINC000776230950 875955053 /nfs/dbraw/zinc/95/50/53/875955053.db2.gz CMZAZYROGVJFDP-SNVBAGLBSA-N 1 2 381.133 3.902 20 10 GHCDLO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776257641 876051725 /nfs/dbraw/zinc/05/17/25/876051725.db2.gz ZLYSCUIDTUASLH-RNCFNFMXSA-N 1 2 393.119 3.822 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1O ZINC000785838654 876275617 /nfs/dbraw/zinc/27/56/17/876275617.db2.gz BTOSRBYKPPQPDX-HNNXBMFYSA-N 1 2 378.831 3.826 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1O ZINC000785838654 876275629 /nfs/dbraw/zinc/27/56/29/876275629.db2.gz BTOSRBYKPPQPDX-HNNXBMFYSA-N 1 2 378.831 3.826 20 10 GHCDLO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)c1 ZINC000786574846 876806259 /nfs/dbraw/zinc/80/62/59/876806259.db2.gz HCVDZPUTWKERLE-WFASDCNBSA-N 1 2 382.273 3.856 20 10 GHCDLO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)c(F)cc1O ZINC000850562570 877027759 /nfs/dbraw/zinc/02/77/59/877027759.db2.gz NYAIXPOXSHJWNV-PIGZYNQJSA-N 1 2 390.293 3.512 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F ZINC000122089276 878256916 /nfs/dbraw/zinc/25/69/16/878256916.db2.gz XKMULKYFVPYKCP-OAHLLOKOSA-N 1 2 382.439 3.768 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)O[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000852744046 878572309 /nfs/dbraw/zinc/57/23/09/878572309.db2.gz PREHUUCMOQZFSS-KXBFYZLASA-N 1 2 386.458 3.844 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+]3C[C@H](C)O[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000852744046 878572324 /nfs/dbraw/zinc/57/23/24/878572324.db2.gz PREHUUCMOQZFSS-KXBFYZLASA-N 1 2 386.458 3.844 20 10 GHCDLO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1cccc(Cl)c1O ZINC000806155937 884412724 /nfs/dbraw/zinc/41/27/24/884412724.db2.gz WHAXKRTYEMEGCZ-QGZVFWFLSA-N 1 2 388.961 3.537 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000153396564 885091785 /nfs/dbraw/zinc/09/17/85/885091785.db2.gz PVOVWJVSVNVALE-UGKGYDQZSA-N 1 2 395.551 3.912 20 10 GHCDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807029443 885195061 /nfs/dbraw/zinc/19/50/61/885195061.db2.gz DUWHPWJHCKOWMR-MRXNPFEDSA-N 1 2 380.275 3.685 20 10 GHCDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807029443 885195067 /nfs/dbraw/zinc/19/50/67/885195067.db2.gz DUWHPWJHCKOWMR-MRXNPFEDSA-N 1 2 380.275 3.685 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000861402691 885468370 /nfs/dbraw/zinc/46/83/70/885468370.db2.gz KUTLOJNGJJVUTH-JOCHJYFZSA-N 1 2 389.455 3.595 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cccc2[nH+]ccn21)c1ccccc1O ZINC001184071570 912975297 /nfs/dbraw/zinc/97/52/97/912975297.db2.gz LODKMGPFVRVFSG-OAHLLOKOSA-N 1 2 396.447 3.635 20 10 GHCDLO NC(=O)c1ccc(C[N@H+](Cc2c(O)cccc2Br)C2CC2)c(F)c1 ZINC000862374390 886335863 /nfs/dbraw/zinc/33/58/63/886335863.db2.gz LBMITHQOPAPAGP-UHFFFAOYSA-N 1 2 393.256 3.557 20 10 GHCDLO NC(=O)c1ccc(C[N@@H+](Cc2c(O)cccc2Br)C2CC2)c(F)c1 ZINC000862374390 886335874 /nfs/dbraw/zinc/33/58/74/886335874.db2.gz LBMITHQOPAPAGP-UHFFFAOYSA-N 1 2 393.256 3.557 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cc(Br)c(F)cc1O ZINC000794825350 888241016 /nfs/dbraw/zinc/24/10/16/888241016.db2.gz MWPATMACLGLZPO-VHSXEESVSA-N 1 2 391.281 3.858 20 10 GHCDLO C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1O ZINC000794842666 888423070 /nfs/dbraw/zinc/42/30/70/888423070.db2.gz SBACQMSUXWQERH-LKFCYVNXSA-N 1 2 377.309 3.953 20 10 GHCDLO CO[C@@](C)(C[NH2+]Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000812772992 890950157 /nfs/dbraw/zinc/95/01/57/890950157.db2.gz OCNYWLRIZFJGIL-AWEZNQCLSA-N 1 2 393.119 3.822 20 10 GHCDLO CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc(Cl)c1O ZINC000287811237 913547952 /nfs/dbraw/zinc/54/79/52/913547952.db2.gz USKSSELXUUCKHE-SJCJKPOMSA-N 1 2 382.913 3.756 20 10 GHCDLO Cc1[nH+]cn(-c2ccc(NCc3cc(Cl)c4cccnc4c3O)nn2)c1C ZINC001168523077 891603548 /nfs/dbraw/zinc/60/35/48/891603548.db2.gz YZIAVGBJENHNPP-UHFFFAOYSA-N 1 2 380.839 3.798 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1O ZINC000814655633 893009826 /nfs/dbraw/zinc/00/98/26/893009826.db2.gz UEFDBNBWKXUNJF-QMMMGPOBSA-N 1 2 384.661 3.652 20 10 GHCDLO OC1CCN(c2ccc(C[NH2+][C@H](c3nccs3)c3ccccc3)cc2)CC1 ZINC000876993784 893423270 /nfs/dbraw/zinc/42/32/70/893423270.db2.gz QBXAUASLEKGQRO-NRFANRHFSA-N 1 2 379.529 3.983 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)cc1 ZINC001137654417 894806203 /nfs/dbraw/zinc/80/62/03/894806203.db2.gz PYAKKISRLMWYMH-UHFFFAOYSA-N 1 2 378.875 3.827 20 10 GHCDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816486672 894855165 /nfs/dbraw/zinc/85/51/65/894855165.db2.gz NHGUUPVHADTZIC-UHFFFAOYSA-N 1 2 376.859 3.888 20 10 GHCDLO COc1c(O)c(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774906624 913994656 /nfs/dbraw/zinc/99/46/56/913994656.db2.gz CJCBKTGVIPVNJZ-HNAYVOBHSA-N 1 2 386.448 3.888 20 10 GHCDLO COc1c(O)c(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774906624 913994663 /nfs/dbraw/zinc/99/46/63/913994663.db2.gz CJCBKTGVIPVNJZ-HNAYVOBHSA-N 1 2 386.448 3.888 20 10 GHCDLO Cc1noc(C2CCC([NH2+]Cc3cc(Br)cc(F)c3O)CC2)n1 ZINC000883033348 897218096 /nfs/dbraw/zinc/21/80/96/897218096.db2.gz OLEIVTDPGHKGEA-UHFFFAOYSA-N 1 2 384.249 3.801 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000042290309 897398813 /nfs/dbraw/zinc/39/88/13/897398813.db2.gz QCDINBSGTYQUPA-PXNSSMCTSA-N 1 2 399.560 3.631 20 10 GHCDLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824541576 899701174 /nfs/dbraw/zinc/70/11/74/899701174.db2.gz DWTQRQMUJDKGIM-UHFFFAOYSA-N 1 2 390.277 3.955 20 10 GHCDLO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000824903319 899870482 /nfs/dbraw/zinc/87/04/82/899870482.db2.gz DZDOKNBENHTVGZ-VXGBXAGGSA-N 1 2 379.092 3.574 20 10 GHCDLO CCOc1ccc(F)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1F ZINC001143937682 900784517 /nfs/dbraw/zinc/78/45/17/900784517.db2.gz VWEYEDYNNOHSQV-UHFFFAOYSA-N 1 2 376.447 3.832 20 10 GHCDLO CCOc1ccc(F)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1F ZINC001143937682 900784524 /nfs/dbraw/zinc/78/45/24/900784524.db2.gz VWEYEDYNNOHSQV-UHFFFAOYSA-N 1 2 376.447 3.832 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000844400986 900797933 /nfs/dbraw/zinc/79/79/33/900797933.db2.gz JDRBACBRYOIYMN-UHFFFAOYSA-N 1 2 386.883 3.566 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000844400986 900797943 /nfs/dbraw/zinc/79/79/43/900797943.db2.gz JDRBACBRYOIYMN-UHFFFAOYSA-N 1 2 386.883 3.566 20 10 GHCDLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3cc(Br)c(F)cc3O)C2)n1 ZINC001144308847 901703193 /nfs/dbraw/zinc/70/31/93/901703193.db2.gz ZTDAPSZFOQHDGH-CYBMUJFWSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(Br)c(F)cc3O)C2)n1 ZINC001144308847 901703203 /nfs/dbraw/zinc/70/32/03/901703203.db2.gz ZTDAPSZFOQHDGH-CYBMUJFWSA-N 1 2 381.245 3.651 20 10 GHCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCn3c(Cc4ccccc4F)nnc3C2)cc1 ZINC000846017998 902601578 /nfs/dbraw/zinc/60/15/78/902601578.db2.gz IRWMGPFTRNTCPE-WAYWQWQTSA-N 1 2 391.494 3.603 20 10 GHCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCn3c(Cc4ccccc4F)nnc3C2)cc1 ZINC000846017998 902601591 /nfs/dbraw/zinc/60/15/91/902601591.db2.gz IRWMGPFTRNTCPE-WAYWQWQTSA-N 1 2 391.494 3.603 20 10 GHCDLO CCS[C@@H](C)c1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000137266341 903853650 /nfs/dbraw/zinc/85/36/50/903853650.db2.gz XBEHZMUMKIHOGB-HOCLYGCPSA-N 1 2 377.510 3.771 20 10 GHCDLO CCS[C@@H](C)c1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000137266341 903853656 /nfs/dbraw/zinc/85/36/56/903853656.db2.gz XBEHZMUMKIHOGB-HOCLYGCPSA-N 1 2 377.510 3.771 20 10 GHCDLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000186061439 907874398 /nfs/dbraw/zinc/87/43/98/907874398.db2.gz ITDUCVPUQITFQS-QGZVFWFLSA-N 1 2 392.478 3.970 20 10 GHCDLO C[C@@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773625179 908458420 /nfs/dbraw/zinc/45/84/20/908458420.db2.gz QAAOICBZKLYYPF-DYESRHJHSA-N 1 2 391.519 3.830 20 10 GHCDLO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1cccc(Br)c1O ZINC000395676386 926481743 /nfs/dbraw/zinc/48/17/43/926481743.db2.gz FGTFTLMJWUODMI-GFCCVEGCSA-N 1 2 387.318 3.890 20 10 GHCDLO COc1cccc([C@@H](C)[NH+]2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)c1 ZINC000750825011 927877251 /nfs/dbraw/zinc/87/72/51/927877251.db2.gz BNMOIWMVSCNQIO-OAHLLOKOSA-N 1 2 386.467 3.621 20 10 GHCDLO Cc1cc(C(=O)COC(=O)CCc2ccc(N)[nH+]c2)c(C)n1-c1ccccc1C ZINC000751443410 928196853 /nfs/dbraw/zinc/19/68/53/928196853.db2.gz UDCXMTQIJUGQSS-UHFFFAOYSA-N 1 2 391.471 3.738 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(Br)cc(F)c1O ZINC000757661372 929762593 /nfs/dbraw/zinc/76/25/93/929762593.db2.gz BKYKJFWHFNBODB-DOMZBBRYSA-N 1 2 382.273 3.938 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC000758376627 930026525 /nfs/dbraw/zinc/02/65/25/930026525.db2.gz IPZISEAKGJTCBN-SFHVURJKSA-N 1 2 378.394 3.701 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC000758376627 930026530 /nfs/dbraw/zinc/02/65/30/930026530.db2.gz IPZISEAKGJTCBN-SFHVURJKSA-N 1 2 378.394 3.701 20 10 GHCDLO Cc1cc(C)c(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000758376986 930026639 /nfs/dbraw/zinc/02/66/39/930026639.db2.gz RBLRGEYSOJKMPN-QGZVFWFLSA-N 1 2 378.394 3.701 20 10 GHCDLO Cc1cc(C)c(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000758376986 930026646 /nfs/dbraw/zinc/02/66/46/930026646.db2.gz RBLRGEYSOJKMPN-QGZVFWFLSA-N 1 2 378.394 3.701 20 10 GHCDLO CO[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000783602797 931593416 /nfs/dbraw/zinc/59/34/16/931593416.db2.gz MINMSRVQLYIZLM-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO CO[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000783602797 931593419 /nfs/dbraw/zinc/59/34/19/931593419.db2.gz MINMSRVQLYIZLM-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000798959557 932840889 /nfs/dbraw/zinc/84/08/89/932840889.db2.gz BVUOAFJYKMYQEP-OAHLLOKOSA-N 1 2 380.286 3.624 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000798959557 932840894 /nfs/dbraw/zinc/84/08/94/932840894.db2.gz BVUOAFJYKMYQEP-OAHLLOKOSA-N 1 2 380.286 3.624 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2ncn(C)c21 ZINC001137856195 935827722 /nfs/dbraw/zinc/82/77/22/935827722.db2.gz TYEMDSONSIQAPJ-HXUWFJFHSA-N 1 2 378.520 3.964 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2ncn(C)c21 ZINC001137856195 935827727 /nfs/dbraw/zinc/82/77/27/935827727.db2.gz TYEMDSONSIQAPJ-HXUWFJFHSA-N 1 2 378.520 3.964 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001204238152 1032683690 /nfs/dbraw/zinc/68/36/90/1032683690.db2.gz OLPZXJPPOAUCAS-GOSISDBHSA-N 1 2 388.414 3.599 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001204238152 1032683709 /nfs/dbraw/zinc/68/37/09/1032683709.db2.gz OLPZXJPPOAUCAS-GOSISDBHSA-N 1 2 388.414 3.599 20 10 GHCDLO O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204322550 1032767161 /nfs/dbraw/zinc/76/71/61/1032767161.db2.gz RPXSECRPVBKOQS-UHFFFAOYSA-N 1 2 383.923 3.898 20 10 GHCDLO O=C(c1ccsc1)N1CCC[C@@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140581442 1022002450 /nfs/dbraw/zinc/00/24/50/1022002450.db2.gz SGNFEJRSTPIWQC-FQEVSTJZSA-N 1 2 392.471 3.860 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075248 1023435169 /nfs/dbraw/zinc/43/51/69/1023435169.db2.gz KDQWPBXNHQMIDQ-BGYRXZFFSA-N 1 2 383.536 3.579 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075248 1023435176 /nfs/dbraw/zinc/43/51/76/1023435176.db2.gz KDQWPBXNHQMIDQ-BGYRXZFFSA-N 1 2 383.536 3.579 20 10 GHCDLO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)N2CCOCC2)cc1 ZINC000756434168 1023646655 /nfs/dbraw/zinc/64/66/55/1023646655.db2.gz IYDJTVIVEHWNSR-MGPUTAFESA-N 1 2 376.447 3.703 20 10 GHCDLO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Br)cc(Cl)c1O ZINC000756583379 1023721563 /nfs/dbraw/zinc/72/15/63/1023721563.db2.gz NLVQKOCVYKOGDP-JQWIXIFHSA-N 1 2 378.694 3.654 20 10 GHCDLO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2)c1 ZINC000756650717 1023754870 /nfs/dbraw/zinc/75/48/70/1023754870.db2.gz PIVIDQZSBZZKAC-UONOGXRCSA-N 1 2 392.446 3.865 20 10 GHCDLO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756713180 1023785032 /nfs/dbraw/zinc/78/50/32/1023785032.db2.gz VWKWQEAQEYGLMG-BMIGLBTASA-N 1 2 384.245 3.687 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(Br)c(F)cc1O ZINC000756757101 1023802412 /nfs/dbraw/zinc/80/24/12/1023802412.db2.gz BRMGPQQLNLTSGY-XMZIXOGTSA-N 1 2 390.318 3.999 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(Br)c(F)cc1O ZINC000756768936 1023808218 /nfs/dbraw/zinc/80/82/18/1023808218.db2.gz BGYVEWKUSMRFSI-NEPJUHHUSA-N 1 2 380.261 3.618 20 10 GHCDLO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(F)c1O ZINC000756775299 1023810709 /nfs/dbraw/zinc/81/07/09/1023810709.db2.gz OTXNBYDOTXNBBF-HZMBPMFUSA-N 1 2 386.236 3.687 20 10 GHCDLO Oc1c(F)cccc1C[N@@H+]1CCc2c(COCc3ccccn3)cncc2C1 ZINC001138125482 1024169509 /nfs/dbraw/zinc/16/95/09/1024169509.db2.gz QNQACLIMPJWFAZ-UHFFFAOYSA-N 1 2 379.435 3.596 20 10 GHCDLO Oc1c(F)cccc1C[N@H+]1CCc2c(COCc3ccccn3)cncc2C1 ZINC001138125482 1024169515 /nfs/dbraw/zinc/16/95/15/1024169515.db2.gz QNQACLIMPJWFAZ-UHFFFAOYSA-N 1 2 379.435 3.596 20 10 GHCDLO Oc1c(F)cccc1C[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC001138127768 1024175838 /nfs/dbraw/zinc/17/58/38/1024175838.db2.gz OWYXOASLVJSIRU-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(O)ccc3Br)CC2)c(C)c1 ZINC001138149144 1024236446 /nfs/dbraw/zinc/23/64/46/1024236446.db2.gz ZKDWWSPHDHHICJ-UHFFFAOYSA-N 1 2 391.309 3.794 20 10 GHCDLO c1ccn(Cc2nnc3n2CCC[N@@H+](Cc2ccc(N4CCCCC4)cc2)C3)c1 ZINC001138218340 1024388850 /nfs/dbraw/zinc/38/88/50/1024388850.db2.gz HBBJCNFVRRPJKF-UHFFFAOYSA-N 1 2 390.535 3.524 20 10 GHCDLO c1ccn(Cc2nnc3n2CCC[N@H+](Cc2ccc(N4CCCCC4)cc2)C3)c1 ZINC001138218340 1024388871 /nfs/dbraw/zinc/38/88/71/1024388871.db2.gz HBBJCNFVRRPJKF-UHFFFAOYSA-N 1 2 390.535 3.524 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)Cc2nn(CC3CC3)cc21 ZINC001138355400 1024719156 /nfs/dbraw/zinc/71/91/56/1024719156.db2.gz PVMIIRVBKUMTMZ-OAQYLSRUSA-N 1 2 394.563 3.811 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)Cc2nn(CC3CC3)cc21 ZINC001138355400 1024719169 /nfs/dbraw/zinc/71/91/69/1024719169.db2.gz PVMIIRVBKUMTMZ-OAQYLSRUSA-N 1 2 394.563 3.811 20 10 GHCDLO COC(=O)CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141372995 1024761216 /nfs/dbraw/zinc/76/12/16/1024761216.db2.gz IKMNHDWSQBNYGY-JTQLQIEISA-N 1 2 376.678 3.583 20 10 GHCDLO COC(=O)CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141372995 1024761225 /nfs/dbraw/zinc/76/12/25/1024761225.db2.gz IKMNHDWSQBNYGY-JTQLQIEISA-N 1 2 376.678 3.583 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001141374904 1024767974 /nfs/dbraw/zinc/76/79/74/1024767974.db2.gz RWECIQRDKLUYJD-UHFFFAOYSA-N 1 2 396.716 3.915 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCCN(c2cccnc2)CC1 ZINC001141374904 1024767989 /nfs/dbraw/zinc/76/79/89/1024767989.db2.gz RWECIQRDKLUYJD-UHFFFAOYSA-N 1 2 396.716 3.915 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(F)ccc3Cl)CC2)cc1 ZINC001138675181 1025199611 /nfs/dbraw/zinc/19/96/11/1025199611.db2.gz OCOHDOSENOQJNI-UHFFFAOYSA-N 1 2 378.875 3.827 20 10 GHCDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)n1 ZINC000839040295 1025536700 /nfs/dbraw/zinc/53/67/00/1025536700.db2.gz MCJKIJLFVGFQJT-LBPRGKRZSA-N 1 2 379.302 3.982 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001139129349 1025942024 /nfs/dbraw/zinc/94/20/24/1025942024.db2.gz WUBROIJYPSFTCZ-UVFQYZLESA-N 1 2 399.487 3.749 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001139129349 1025942026 /nfs/dbraw/zinc/94/20/26/1025942026.db2.gz WUBROIJYPSFTCZ-UVFQYZLESA-N 1 2 399.487 3.749 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@H](COC)C2)cc1 ZINC001203940631 1027735776 /nfs/dbraw/zinc/73/57/76/1027735776.db2.gz SAPVMRBOLOZJNJ-FQEVSTJZSA-N 1 2 382.552 3.885 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@H](COC)C2)cc1 ZINC001203940631 1027735794 /nfs/dbraw/zinc/73/57/94/1027735794.db2.gz SAPVMRBOLOZJNJ-FQEVSTJZSA-N 1 2 382.552 3.885 20 10 GHCDLO O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001142728465 1029352576 /nfs/dbraw/zinc/35/25/76/1029352576.db2.gz UODJDLVGVYRCJT-HXUWFJFHSA-N 1 2 393.462 3.750 20 10 GHCDLO O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001142728465 1029352583 /nfs/dbraw/zinc/35/25/83/1029352583.db2.gz UODJDLVGVYRCJT-HXUWFJFHSA-N 1 2 393.462 3.750 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)ccc1C ZINC001152319174 1031187686 /nfs/dbraw/zinc/18/76/86/1031187686.db2.gz DOJCJFPBYRIIFL-UHFFFAOYSA-N 1 2 376.460 3.928 20 10 GHCDLO COc1cc(N(C)C)ccc1C[NH+]1CC2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001231855035 1034944782 /nfs/dbraw/zinc/94/47/82/1034944782.db2.gz PJIOHEJEMXALCR-UHFFFAOYSA-N 1 2 389.540 3.737 20 10 GHCDLO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001231911227 1034985795 /nfs/dbraw/zinc/98/57/95/1034985795.db2.gz GHVKTCIFRVRRKZ-SFHVURJKSA-N 1 2 384.907 3.884 20 10 GHCDLO O=C1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)CN1c1ccc(F)c(F)c1 ZINC001231911157 1034986094 /nfs/dbraw/zinc/98/60/94/1034986094.db2.gz DGAFBQBUVWDKHE-FQEVSTJZSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)CN1c1ccc(F)c(F)c1 ZINC001231911157 1034986098 /nfs/dbraw/zinc/98/60/98/1034986098.db2.gz DGAFBQBUVWDKHE-FQEVSTJZSA-N 1 2 392.833 3.953 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@](C)(F)C2)cc1I ZINC001248461966 1035886304 /nfs/dbraw/zinc/88/63/04/1035886304.db2.gz IQCUWCSRFNPPQG-HNNXBMFYSA-N 1 2 393.240 3.720 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCCC[C@](C)(F)C2)cc1I ZINC001248461966 1035886327 /nfs/dbraw/zinc/88/63/27/1035886327.db2.gz IQCUWCSRFNPPQG-HNNXBMFYSA-N 1 2 393.240 3.720 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c(F)n1 ZINC001233121123 1038908658 /nfs/dbraw/zinc/90/86/58/1038908658.db2.gz JALQGOBEINKGCQ-UHFFFAOYSA-N 1 2 398.404 3.508 20 10 GHCDLO OC[C@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC(F)(F)C1 ZINC001233193930 1038960141 /nfs/dbraw/zinc/96/01/41/1038960141.db2.gz IQZFUISBVFDGKK-LLVKDONJSA-N 1 2 386.236 3.757 20 10 GHCDLO OC[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC(F)(F)C1 ZINC001233193930 1038960147 /nfs/dbraw/zinc/96/01/47/1038960147.db2.gz IQZFUISBVFDGKK-LLVKDONJSA-N 1 2 386.236 3.757 20 10 GHCDLO Oc1c(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)cccc1C(F)(F)F ZINC001233417688 1039276657 /nfs/dbraw/zinc/27/66/57/1039276657.db2.gz DNVOXEZGOUSSPY-UHFFFAOYSA-N 1 2 390.409 3.863 20 10 GHCDLO Oc1c(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)cccc1C(F)(F)F ZINC001233417688 1039276671 /nfs/dbraw/zinc/27/66/71/1039276671.db2.gz DNVOXEZGOUSSPY-UHFFFAOYSA-N 1 2 390.409 3.863 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC001253677926 1039762784 /nfs/dbraw/zinc/76/27/84/1039762784.db2.gz OCOOPHUGJQOQNH-LJQANCHMSA-N 1 2 381.520 3.851 20 10 GHCDLO COc1ccc2ccc(O)c(C[N@@H+]3CCN(c4ccc(F)cc4)C(=O)C3)c2c1 ZINC001234562129 1040130006 /nfs/dbraw/zinc/13/00/06/1040130006.db2.gz IBIWRVDYAIXJEZ-UHFFFAOYSA-N 1 2 380.419 3.542 20 10 GHCDLO COc1ccc2ccc(O)c(C[N@H+]3CCN(c4ccc(F)cc4)C(=O)C3)c2c1 ZINC001234562129 1040130013 /nfs/dbraw/zinc/13/00/13/1040130013.db2.gz IBIWRVDYAIXJEZ-UHFFFAOYSA-N 1 2 380.419 3.542 20 10 GHCDLO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235076210 1040565505 /nfs/dbraw/zinc/56/55/05/1040565505.db2.gz UGWKHRMNUNEAKZ-ZDUSSCGKSA-N 1 2 378.241 3.999 20 10 GHCDLO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235076210 1040565511 /nfs/dbraw/zinc/56/55/11/1040565511.db2.gz UGWKHRMNUNEAKZ-ZDUSSCGKSA-N 1 2 378.241 3.999 20 10 GHCDLO Cc1cnc(F)c(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001235337511 1040807992 /nfs/dbraw/zinc/80/79/92/1040807992.db2.gz BEYDSOIYADHOAH-UHFFFAOYSA-N 1 2 392.478 3.825 20 10 GHCDLO Cc1cc(Cl)ccc1-c1nnc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)o1 ZINC001255356617 1040959200 /nfs/dbraw/zinc/95/92/00/1040959200.db2.gz YALJCJHBSOMQIE-UHFFFAOYSA-N 1 2 385.851 3.903 20 10 GHCDLO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001236778717 1041887608 /nfs/dbraw/zinc/88/76/08/1041887608.db2.gz MFQDCDODQYGTFS-OALUTQOASA-N 1 2 399.384 3.808 20 10 GHCDLO Oc1ccc(OCc2ccccc2)cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001236778717 1041887610 /nfs/dbraw/zinc/88/76/10/1041887610.db2.gz MFQDCDODQYGTFS-OALUTQOASA-N 1 2 399.384 3.808 20 10 GHCDLO CCOc1ccc(C[NH+]2CCN(c3c(Cl)cncc3Cl)CC2)c(O)c1 ZINC001237043266 1042003051 /nfs/dbraw/zinc/00/30/51/1042003051.db2.gz NORYXTLHBITLAZ-UHFFFAOYSA-N 1 2 382.291 3.815 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001237617712 1042283958 /nfs/dbraw/zinc/28/39/58/1042283958.db2.gz CISFUIJKSADZHS-OXQOHEQNSA-N 1 2 383.891 3.840 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001237617712 1042283961 /nfs/dbraw/zinc/28/39/61/1042283961.db2.gz CISFUIJKSADZHS-OXQOHEQNSA-N 1 2 383.891 3.840 20 10 GHCDLO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC001237617930 1042284385 /nfs/dbraw/zinc/28/43/85/1042284385.db2.gz UTBTWMKAOMUPKU-LBPRGKRZSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC001237617930 1042284389 /nfs/dbraw/zinc/28/43/89/1042284389.db2.gz UTBTWMKAOMUPKU-LBPRGKRZSA-N 1 2 384.879 3.874 20 10 GHCDLO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(Cl)cc(F)c1O ZINC001237622817 1042289673 /nfs/dbraw/zinc/28/96/73/1042289673.db2.gz BIPOYUFBCWOZMP-HNNXBMFYSA-N 1 2 375.868 3.755 20 10 GHCDLO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(Cl)cc(F)c1O ZINC001237622817 1042289676 /nfs/dbraw/zinc/28/96/76/1042289676.db2.gz BIPOYUFBCWOZMP-HNNXBMFYSA-N 1 2 375.868 3.755 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1Br ZINC001237683133 1042323838 /nfs/dbraw/zinc/32/38/38/1042323838.db2.gz WQXDTEBMADUEHP-UHFFFAOYSA-N 1 2 396.716 3.834 20 10 GHCDLO C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)[C@H]1CO ZINC001237784954 1042368531 /nfs/dbraw/zinc/36/85/31/1042368531.db2.gz ZPHRXMZICWUCQA-RNCFNFMXSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)[C@H]1CO ZINC001237784954 1042368533 /nfs/dbraw/zinc/36/85/33/1042368533.db2.gz ZPHRXMZICWUCQA-RNCFNFMXSA-N 1 2 382.220 3.766 20 10 GHCDLO Cc1ccc2c(c1)CC[N@@H+](Cc1cccc(I)c1O)C2 ZINC001237789231 1042371021 /nfs/dbraw/zinc/37/10/21/1042371021.db2.gz RHEACERJXOPUEB-UHFFFAOYSA-N 1 2 379.241 3.864 20 10 GHCDLO Cc1ccc2c(c1)CC[N@H+](Cc1cccc(I)c1O)C2 ZINC001237789231 1042371024 /nfs/dbraw/zinc/37/10/24/1042371024.db2.gz RHEACERJXOPUEB-UHFFFAOYSA-N 1 2 379.241 3.864 20 10 GHCDLO CC[C@H]1[N@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@]12CCC(=O)N2CCOC ZINC001237798783 1042375767 /nfs/dbraw/zinc/37/57/67/1042375767.db2.gz BCZDFGHLRADYJB-XLIONFOSSA-N 1 2 398.906 3.567 20 10 GHCDLO CC[C@H]1[N@@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@]12CCC(=O)N2CCOC ZINC001237798783 1042375770 /nfs/dbraw/zinc/37/57/70/1042375770.db2.gz BCZDFGHLRADYJB-XLIONFOSSA-N 1 2 398.906 3.567 20 10 GHCDLO Oc1c(Cl)cc(F)cc1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001237800207 1042376642 /nfs/dbraw/zinc/37/66/42/1042376642.db2.gz MFLDSKXIGNEBRY-WMZOPIPTSA-N 1 2 394.849 3.661 20 10 GHCDLO Oc1c(Cl)cc(F)cc1CN1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001237800207 1042376646 /nfs/dbraw/zinc/37/66/46/1042376646.db2.gz MFLDSKXIGNEBRY-WMZOPIPTSA-N 1 2 394.849 3.661 20 10 GHCDLO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1 ZINC001237801766 1042377361 /nfs/dbraw/zinc/37/73/61/1042377361.db2.gz WBUOLDZNWZCDIY-GFCCVEGCSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1 ZINC001237801766 1042377365 /nfs/dbraw/zinc/37/73/65/1042377365.db2.gz WBUOLDZNWZCDIY-GFCCVEGCSA-N 1 2 384.879 3.874 20 10 GHCDLO CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237802698 1042378195 /nfs/dbraw/zinc/37/81/95/1042378195.db2.gz OBSFCTKFLYYSJK-IBGZPJMESA-N 1 2 392.902 3.908 20 10 GHCDLO CC[N@H+](Cc1cc(F)cc(Cl)c1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237802698 1042378200 /nfs/dbraw/zinc/37/82/00/1042378200.db2.gz OBSFCTKFLYYSJK-IBGZPJMESA-N 1 2 392.902 3.908 20 10 GHCDLO CO[C@H](C[NH+]1CCN(Cc2cc(F)cc(Cl)c2O)CC1)c1ccccc1 ZINC001237805298 1042379559 /nfs/dbraw/zinc/37/95/59/1042379559.db2.gz LIETWQAVRZZRAM-LJQANCHMSA-N 1 2 378.875 3.690 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001237815194 1042383189 /nfs/dbraw/zinc/38/31/89/1042383189.db2.gz WWQAPULFRRBOAN-OXQOHEQNSA-N 1 2 383.891 3.840 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001237815194 1042383193 /nfs/dbraw/zinc/38/31/93/1042383193.db2.gz WWQAPULFRRBOAN-OXQOHEQNSA-N 1 2 383.891 3.840 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001462616907 1070416402 /nfs/dbraw/zinc/41/64/02/1070416402.db2.gz GFWHXWIVMBMHTA-VIFPVBQESA-N 1 2 375.753 3.983 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001462616907 1070416406 /nfs/dbraw/zinc/41/64/06/1070416406.db2.gz GFWHXWIVMBMHTA-VIFPVBQESA-N 1 2 375.753 3.983 20 10 GHCDLO CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1cc(F)c(Cl)cc1O)CC2 ZINC001237935732 1042427188 /nfs/dbraw/zinc/42/71/88/1042427188.db2.gz YEJOUMPISJHANQ-UHFFFAOYSA-N 1 2 377.843 3.849 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc[nH]2)c1 ZINC001279648881 1047891506 /nfs/dbraw/zinc/89/15/06/1047891506.db2.gz XCDAVCSCCHYNHH-CALCHBBNSA-N 1 2 390.325 3.640 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc[nH]2)c1 ZINC001279648881 1047891517 /nfs/dbraw/zinc/89/15/17/1047891517.db2.gz XCDAVCSCCHYNHH-CALCHBBNSA-N 1 2 390.325 3.640 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c1 ZINC001279648881 1047891528 /nfs/dbraw/zinc/89/15/28/1047891528.db2.gz XCDAVCSCCHYNHH-CALCHBBNSA-N 1 2 390.325 3.640 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c1 ZINC001279648881 1047891537 /nfs/dbraw/zinc/89/15/37/1047891537.db2.gz XCDAVCSCCHYNHH-CALCHBBNSA-N 1 2 390.325 3.640 20 10 GHCDLO O=c1cccc(C[N@H+]2C[C@@H]3CCN(Cc4cc(Cl)c(Cl)cc4O)[C@@H]3C2)[nH]1 ZINC001279665284 1047905203 /nfs/dbraw/zinc/90/52/03/1047905203.db2.gz KXNPYUOYMFDMKF-YVEFUNNKSA-N 1 2 394.302 3.506 20 10 GHCDLO O=c1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4cc(Cl)c(Cl)cc4O)[C@@H]3C2)[nH]1 ZINC001279665284 1047905206 /nfs/dbraw/zinc/90/52/06/1047905206.db2.gz KXNPYUOYMFDMKF-YVEFUNNKSA-N 1 2 394.302 3.506 20 10 GHCDLO O=c1cccc(CN2C[C@@H]3CC[N@@H+](Cc4cc(Cl)c(Cl)cc4O)[C@@H]3C2)[nH]1 ZINC001279665284 1047905213 /nfs/dbraw/zinc/90/52/13/1047905213.db2.gz KXNPYUOYMFDMKF-YVEFUNNKSA-N 1 2 394.302 3.506 20 10 GHCDLO O=c1cccc(CN2C[C@@H]3CC[N@H+](Cc4cc(Cl)c(Cl)cc4O)[C@@H]3C2)[nH]1 ZINC001279665284 1047905217 /nfs/dbraw/zinc/90/52/17/1047905217.db2.gz KXNPYUOYMFDMKF-YVEFUNNKSA-N 1 2 394.302 3.506 20 10 GHCDLO CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1c[nH+]ccc1OC ZINC001305381645 1048003454 /nfs/dbraw/zinc/00/34/54/1048003454.db2.gz FIODIRYAEQYJTI-OAHLLOKOSA-N 1 2 381.480 3.586 20 10 GHCDLO C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)N1CCc2ccccc2C1 ZINC001308236382 1049922366 /nfs/dbraw/zinc/92/23/66/1049922366.db2.gz YGFTVHQXIBZEKX-ZDUSSCGKSA-N 1 2 393.300 3.830 20 10 GHCDLO COC(=O)Nc1ccc(CC[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001308282920 1049936212 /nfs/dbraw/zinc/93/62/12/1049936212.db2.gz YBKUNVDLBXTPCI-UHFFFAOYSA-N 1 2 397.244 3.804 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001308513337 1049994822 /nfs/dbraw/zinc/99/48/22/1049994822.db2.gz NZOSNEWWOCUARB-JQWIXIFHSA-N 1 2 386.183 3.883 20 10 GHCDLO COC(=O)[C@H](COC1CCC1)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC001308572090 1050014718 /nfs/dbraw/zinc/01/47/18/1050014718.db2.gz XZQPIPIDUGXVAX-NRFANRHFSA-N 1 2 399.487 3.514 20 10 GHCDLO COC(=O)[C@H](COC1CCC1)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC001308572090 1050014724 /nfs/dbraw/zinc/01/47/24/1050014724.db2.gz XZQPIPIDUGXVAX-NRFANRHFSA-N 1 2 399.487 3.514 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001308689175 1050060134 /nfs/dbraw/zinc/06/01/34/1050060134.db2.gz MSJPLLCBTRFWNH-CYBMUJFWSA-N 1 2 399.329 3.904 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001308689175 1050060142 /nfs/dbraw/zinc/06/01/42/1050060142.db2.gz MSJPLLCBTRFWNH-CYBMUJFWSA-N 1 2 399.329 3.904 20 10 GHCDLO CCc1cccc(C[NH2+][C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)OC)c1O ZINC001308929115 1050184975 /nfs/dbraw/zinc/18/49/75/1050184975.db2.gz XCMQFILOOSIQCJ-KRWDZBQOSA-N 1 2 397.393 3.727 20 10 GHCDLO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccc3cn[nH]c3c2)c1O ZINC000848549492 1057169915 /nfs/dbraw/zinc/16/99/15/1057169915.db2.gz WALQAXNPKAALHT-LLVKDONJSA-N 1 2 390.281 3.933 20 10 GHCDLO Cc1cc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC001467681328 1067416063 /nfs/dbraw/zinc/41/60/63/1067416063.db2.gz XPSVUNHZGDXJRU-MRXNPFEDSA-N 1 2 389.927 3.540 20 10 GHCDLO COc1ccc([N@H+](CCCON2C(=O)c3ccccc3C2=O)CC(C)C)cc1 ZINC001473558980 1074015452 /nfs/dbraw/zinc/01/54/52/1074015452.db2.gz DWFBAVGIIXHPFD-UHFFFAOYSA-N 1 2 382.460 3.776 20 10 GHCDLO COc1ccc([N@@H+](CCCON2C(=O)c3ccccc3C2=O)CC(C)C)cc1 ZINC001473558980 1074015462 /nfs/dbraw/zinc/01/54/62/1074015462.db2.gz DWFBAVGIIXHPFD-UHFFFAOYSA-N 1 2 382.460 3.776 20 10 GHCDLO OC[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)CC[C@@H]1c1ccccc1 ZINC001474621254 1074488292 /nfs/dbraw/zinc/48/82/92/1074488292.db2.gz QQGSDIMYKFWMQK-DOTOQJQBSA-N 1 2 394.284 3.892 20 10 GHCDLO NC(=O)COc1ccc(-c2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc2)cc1 ZINC001474641401 1074494971 /nfs/dbraw/zinc/49/49/71/1074494971.db2.gz LOYGPQQLXNXMFE-UHFFFAOYSA-N 1 2 396.874 3.867 20 10 GHCDLO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3cc(F)cc(F)c3O)CC2)cs1 ZINC000894088631 844486434 /nfs/dbraw/zinc/48/64/34/844486434.db2.gz MYTYFXRRRUIIST-CYBMUJFWSA-N 1 2 397.491 3.542 20 10 GHCDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3cc(F)cc(F)c3O)CC2)cs1 ZINC000894088631 844486442 /nfs/dbraw/zinc/48/64/42/844486442.db2.gz MYTYFXRRRUIIST-CYBMUJFWSA-N 1 2 397.491 3.542 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000382451979 842138423 /nfs/dbraw/zinc/13/84/23/842138423.db2.gz NNFCBQRQPZRKCS-JSGCOSHPSA-N 1 2 399.329 3.938 20 10 GHCDLO C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1cc(Br)c(F)cc1O ZINC000756359689 856705784 /nfs/dbraw/zinc/70/57/84/856705784.db2.gz QIMIPFJMXNPRRK-VXGBXAGGSA-N 1 2 376.266 3.530 20 10 GHCDLO C[C@@H](NCC[N@H+](C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000765287249 859890673 /nfs/dbraw/zinc/89/06/73/859890673.db2.gz TWXYKPQEFNALAW-GOSISDBHSA-N 1 2 387.955 3.959 20 10 GHCDLO C[C@@H](NCC[N@@H+](C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000765287249 859890685 /nfs/dbraw/zinc/89/06/85/859890685.db2.gz TWXYKPQEFNALAW-GOSISDBHSA-N 1 2 387.955 3.959 20 10 GHCDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896495242 860804428 /nfs/dbraw/zinc/80/44/28/860804428.db2.gz TYIUNRPHLLZJKS-UHFFFAOYSA-N 1 2 398.484 3.705 20 10 GHCDLO COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000740450311 865912881 /nfs/dbraw/zinc/91/28/81/865912881.db2.gz QXYWEBANVNVKCA-OAHLLOKOSA-N 1 2 396.447 3.559 20 10 GHCDLO FC(F)Oc1ccc(N2CCC[C@H](Nc3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000302873301 865966841 /nfs/dbraw/zinc/96/68/41/865966841.db2.gz CPIXJHDNPWMPMQ-HNNXBMFYSA-N 1 2 389.450 3.759 20 10 GHCDLO FC(F)Oc1ccc(N2CCC[C@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000302873301 865966852 /nfs/dbraw/zinc/96/68/52/865966852.db2.gz CPIXJHDNPWMPMQ-HNNXBMFYSA-N 1 2 389.450 3.759 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000746452941 870737994 /nfs/dbraw/zinc/73/79/94/870737994.db2.gz BRQZAKLMGLEFMA-UHFFFAOYSA-N 1 2 381.495 3.687 20 10 GHCDLO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001169581825 871676980 /nfs/dbraw/zinc/67/69/80/871676980.db2.gz JTCDIDDKFHIHKA-XOBRGWDASA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001169581825 871676989 /nfs/dbraw/zinc/67/69/89/871676989.db2.gz JTCDIDDKFHIHKA-XOBRGWDASA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000775608858 871923079 /nfs/dbraw/zinc/92/30/79/871923079.db2.gz LXBYZSZQUYAEDN-QGZVFWFLSA-N 1 2 393.491 3.911 20 10 GHCDLO OCCC1CC[NH+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000775648427 872271136 /nfs/dbraw/zinc/27/11/36/872271136.db2.gz UHJFGBSMEWJUOC-UHFFFAOYSA-N 1 2 393.119 3.512 20 10 GHCDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)nc1 ZINC000775653689 872368812 /nfs/dbraw/zinc/36/88/12/872368812.db2.gz MWPQNRDWKMDLQP-UHFFFAOYSA-N 1 2 377.847 3.739 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(C)n1-c1ccc(F)cc1 ZINC000767904382 872950118 /nfs/dbraw/zinc/95/01/18/872950118.db2.gz BWLOCBKIQSXPJF-CTNGQTDRSA-N 1 2 388.508 3.622 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)c(C)n1-c1ccc(F)cc1 ZINC000767904382 872950128 /nfs/dbraw/zinc/95/01/28/872950128.db2.gz BWLOCBKIQSXPJF-CTNGQTDRSA-N 1 2 388.508 3.622 20 10 GHCDLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)n1-c1ccc(Br)cc1 ZINC000857984597 882691800 /nfs/dbraw/zinc/69/18/00/882691800.db2.gz BVEUCIAHIFZFCE-QGZVFWFLSA-N 1 2 399.292 3.928 20 10 GHCDLO C[C@](O)(C1CC[NH+](Cc2cccc(Br)c2O)CC1)C(F)(F)F ZINC000768531363 873365290 /nfs/dbraw/zinc/36/52/90/873365290.db2.gz CMHQEWUIGIGZHJ-AWEZNQCLSA-N 1 2 382.220 3.680 20 10 GHCDLO C[NH+](C)CCn1cc(NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)cn1 ZINC001197148273 873625480 /nfs/dbraw/zinc/62/54/80/873625480.db2.gz KOISPQCCQXXCTI-QURGRASLSA-N 1 2 398.492 3.661 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(Br)c(F)cc1O ZINC000528005040 873876970 /nfs/dbraw/zinc/87/69/70/873876970.db2.gz SHHHHCCRZFRMIR-MGPLVRAMSA-N 1 2 393.256 3.771 20 10 GHCDLO C[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000776256950 876064494 /nfs/dbraw/zinc/06/44/94/876064494.db2.gz UQKSIOJUXVWWIT-UWVGGRQHSA-N 1 2 393.119 3.822 20 10 GHCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000787288158 877297832 /nfs/dbraw/zinc/29/78/32/877297832.db2.gz IJOPTROCLPEVDD-ZDUSSCGKSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000787288158 877297848 /nfs/dbraw/zinc/29/78/48/877297848.db2.gz IJOPTROCLPEVDD-ZDUSSCGKSA-N 1 2 381.245 3.732 20 10 GHCDLO C[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)Cc1ccccc1O ZINC000109771107 877428145 /nfs/dbraw/zinc/42/81/45/877428145.db2.gz UBYOUEFEVRPEGR-UHFFFAOYSA-N 1 2 377.469 3.989 20 10 GHCDLO C[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)Cc1ccccc1O ZINC000109771107 877428159 /nfs/dbraw/zinc/42/81/59/877428159.db2.gz UBYOUEFEVRPEGR-UHFFFAOYSA-N 1 2 377.469 3.989 20 10 GHCDLO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000789565785 879075633 /nfs/dbraw/zinc/07/56/33/879075633.db2.gz JGRLMTKKYMHPOV-CQSZACIVSA-N 1 2 393.119 3.654 20 10 GHCDLO CC[C@]1(CO)CCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000789565785 879075641 /nfs/dbraw/zinc/07/56/41/879075641.db2.gz JGRLMTKKYMHPOV-CQSZACIVSA-N 1 2 393.119 3.654 20 10 GHCDLO COC(=O)C[N@H+](Cc1cc(OC)cc(OC)c1)Cc1c(O)ccc2ccccc21 ZINC000919952862 881242200 /nfs/dbraw/zinc/24/22/00/881242200.db2.gz IZASZLGKUCAYTM-UHFFFAOYSA-N 1 2 395.455 3.738 20 10 GHCDLO COC(=O)C[N@@H+](Cc1cc(OC)cc(OC)c1)Cc1c(O)ccc2ccccc21 ZINC000919952862 881242213 /nfs/dbraw/zinc/24/22/13/881242213.db2.gz IZASZLGKUCAYTM-UHFFFAOYSA-N 1 2 395.455 3.738 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(Br)cc(F)c1O ZINC000858536986 883183410 /nfs/dbraw/zinc/18/34/10/883183410.db2.gz MDDXRIJUIPAMLW-YCELRVBUSA-N 1 2 397.244 3.575 20 10 GHCDLO CC[C@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cccc(Cl)c1O ZINC000806140243 884401903 /nfs/dbraw/zinc/40/19/03/884401903.db2.gz HZAVSQQHHQEAHY-HKUYNNGSSA-N 1 2 385.895 3.925 20 10 GHCDLO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(Cl)c2O)c(OC)c1 ZINC000898218856 884636209 /nfs/dbraw/zinc/63/62/09/884636209.db2.gz RACYSBWANBSXPO-LBPRGKRZSA-N 1 2 378.856 3.570 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1O ZINC001184073824 912975437 /nfs/dbraw/zinc/97/54/37/912975437.db2.gz ZSNDBVULXTVFDN-MRXNPFEDSA-N 1 2 396.447 3.635 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000862529827 886432640 /nfs/dbraw/zinc/43/26/40/886432640.db2.gz OSTSAYXCPQRGPN-DGCLKSJQSA-N 1 2 391.103 3.574 20 10 GHCDLO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cc(Br)c(F)cc3O)[C@@H]2C1 ZINC000808723455 886706072 /nfs/dbraw/zinc/70/60/72/886706072.db2.gz OCRJQIMBTBEZTK-DBDKUZAISA-N 1 2 399.304 3.591 20 10 GHCDLO Cc1cccc(C[N@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)c1O ZINC000796013408 913173772 /nfs/dbraw/zinc/17/37/72/913173772.db2.gz GZPWRYGFHGPJJB-UHFFFAOYSA-N 1 2 387.281 3.676 20 10 GHCDLO Cc1cccc(C[N@@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)c1O ZINC000796013408 913173785 /nfs/dbraw/zinc/17/37/85/913173785.db2.gz GZPWRYGFHGPJJB-UHFFFAOYSA-N 1 2 387.281 3.676 20 10 GHCDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)no1 ZINC000811512618 889706403 /nfs/dbraw/zinc/70/64/03/889706403.db2.gz HGCKTPMFEVZHGS-UHFFFAOYSA-N 1 2 385.386 3.571 20 10 GHCDLO C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cc(Br)cc(F)c1O ZINC000812737976 890919283 /nfs/dbraw/zinc/91/92/83/890919283.db2.gz UXLKVOJPXUYCGC-JTQLQIEISA-N 1 2 382.277 3.757 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(=O)C(C)C)CC2)c(C)n1-c1ccc(C)cc1 ZINC000917109969 891272468 /nfs/dbraw/zinc/27/24/68/891272468.db2.gz KRCHHPQOVLIISX-UHFFFAOYSA-N 1 2 395.547 3.822 20 10 GHCDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1ncc(Br)cn1 ZINC000814301761 892529933 /nfs/dbraw/zinc/52/99/33/892529933.db2.gz DDZPXXNGMJUFJJ-QMMMGPOBSA-N 1 2 387.075 3.558 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774841870 913733066 /nfs/dbraw/zinc/73/30/66/913733066.db2.gz QLEUFRJHPDDPKP-LJQANCHMSA-N 1 2 379.416 3.716 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774841870 913733079 /nfs/dbraw/zinc/73/30/79/913733079.db2.gz QLEUFRJHPDDPKP-LJQANCHMSA-N 1 2 379.416 3.716 20 10 GHCDLO CC[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000817414507 895591125 /nfs/dbraw/zinc/59/11/25/895591125.db2.gz GTJFEQBIDGETBD-NEPJUHHUSA-N 1 2 393.119 3.964 20 10 GHCDLO CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971482 895988406 /nfs/dbraw/zinc/98/84/06/895988406.db2.gz DKQYLPHHIQQHDF-BDAKNGLRSA-N 1 2 380.124 3.566 20 10 GHCDLO Cc1cc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc(N2CCCC2)n1 ZINC000883122314 897301550 /nfs/dbraw/zinc/30/15/50/897301550.db2.gz IYHHENLDLYRQOQ-UHFFFAOYSA-N 1 2 394.288 3.887 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000883135863 897313090 /nfs/dbraw/zinc/31/30/90/897313090.db2.gz OSVABXZORNQDAU-GDBMZVCRSA-N 1 2 381.245 3.699 20 10 GHCDLO CO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000783602795 897343360 /nfs/dbraw/zinc/34/33/60/897343360.db2.gz MINMSRVQLYIZLM-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO CO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000783602795 897343378 /nfs/dbraw/zinc/34/33/78/897343378.db2.gz MINMSRVQLYIZLM-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO CC1(C)OCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000824625063 899745823 /nfs/dbraw/zinc/74/58/23/899745823.db2.gz DWOCLYIBXOTCHQ-LLVKDONJSA-N 1 2 379.092 3.574 20 10 GHCDLO COc1c(O)c(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000775001589 914448239 /nfs/dbraw/zinc/44/82/39/914448239.db2.gz BMTNDHZGYZDKHA-GOSISDBHSA-N 1 2 385.464 3.626 20 10 GHCDLO CC(=O)N1CCCCC12CC[NH+](Cc1cc(Br)c(F)cc1O)CC2 ZINC001144299898 901651641 /nfs/dbraw/zinc/65/16/41/901651641.db2.gz LVJBFOZHCWUDAQ-UHFFFAOYSA-N 1 2 399.304 3.661 20 10 GHCDLO CCc1nc(C2CC[NH+](Cc3cc(Br)c(F)cc3O)CC2)no1 ZINC001144306397 901685366 /nfs/dbraw/zinc/68/53/66/901685366.db2.gz AEAUINCBWQUMLP-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000184677469 907635984 /nfs/dbraw/zinc/63/59/84/907635984.db2.gz SCZNZFHFJJGXRG-GFCCVEGCSA-N 1 2 383.897 3.651 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000184677469 907635993 /nfs/dbraw/zinc/63/59/93/907635993.db2.gz SCZNZFHFJJGXRG-GFCCVEGCSA-N 1 2 383.897 3.651 20 10 GHCDLO COc1cc(OC)cc([C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)c2nccn2C)c1 ZINC000184960301 907685862 /nfs/dbraw/zinc/68/58/62/907685862.db2.gz JJWDXNLZGPIECM-RNODOKPDSA-N 1 2 385.439 3.722 20 10 GHCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000192318887 908761109 /nfs/dbraw/zinc/76/11/09/908761109.db2.gz YXAPLHNCIDDPJS-UHFFFAOYSA-N 1 2 383.540 3.668 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC001179426237 909534079 /nfs/dbraw/zinc/53/40/79/909534079.db2.gz VHSPCEMTVFIDOK-VXNVDRBHSA-N 1 2 389.009 3.958 20 10 GHCDLO COc1cccc(C[N@H+](Cc2cc(F)cc(F)c2O)C2CCC(O)CC2)c1 ZINC001179874471 909795939 /nfs/dbraw/zinc/79/59/39/909795939.db2.gz ZZFADTYFMRLMBJ-UHFFFAOYSA-N 1 2 377.431 3.985 20 10 GHCDLO COc1cccc(C[N@@H+](Cc2cc(F)cc(F)c2O)C2CCC(O)CC2)c1 ZINC001179874471 909795944 /nfs/dbraw/zinc/79/59/44/909795944.db2.gz ZZFADTYFMRLMBJ-UHFFFAOYSA-N 1 2 377.431 3.985 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)cc(F)c1O ZINC000774395747 911707667 /nfs/dbraw/zinc/70/76/67/911707667.db2.gz KCCHJRPPMCARLP-KOLCDFICSA-N 1 2 375.337 3.590 20 10 GHCDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000774479792 911785488 /nfs/dbraw/zinc/78/54/88/911785488.db2.gz UMIRTVARKQOPSM-GTNSWQLSSA-N 1 2 394.288 3.531 20 10 GHCDLO CCc1noc(C2CCC([NH2+]Cc3cccc(Br)c3O)CC2)n1 ZINC000775146186 915557428 /nfs/dbraw/zinc/55/74/28/915557428.db2.gz MAHMTKSYPRRWFU-UHFFFAOYSA-N 1 2 380.286 3.916 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC001191486724 918017490 /nfs/dbraw/zinc/01/74/90/918017490.db2.gz SYVVAHYIGUMOJA-RBSFLKMASA-N 1 2 376.456 3.519 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@H]1C ZINC001191486724 918017502 /nfs/dbraw/zinc/01/75/02/918017502.db2.gz SYVVAHYIGUMOJA-RBSFLKMASA-N 1 2 376.456 3.519 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(Cl)c1O ZINC001137438468 925789407 /nfs/dbraw/zinc/78/94/07/925789407.db2.gz LKJIDSWAVGRPCF-CQSZACIVSA-N 1 2 395.286 3.799 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(Cl)c1O ZINC001137438468 925789412 /nfs/dbraw/zinc/78/94/12/925789412.db2.gz LKJIDSWAVGRPCF-CQSZACIVSA-N 1 2 395.286 3.799 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780764718 930594142 /nfs/dbraw/zinc/59/41/42/930594142.db2.gz PERDKZQOOQLYMZ-HXUWFJFHSA-N 1 2 379.464 3.582 20 10 GHCDLO C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(N)cc1 ZINC000783486908 931560514 /nfs/dbraw/zinc/56/05/14/931560514.db2.gz RROODAKUELTINW-INIZCTEOSA-N 1 2 399.454 3.649 20 10 GHCDLO C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cc(F)cc(F)c1O ZINC000797103864 932183765 /nfs/dbraw/zinc/18/37/65/932183765.db2.gz PZOWXCXOEMQKCQ-SNVBAGLBSA-N 1 2 383.826 3.607 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001118814563 934255304 /nfs/dbraw/zinc/25/53/04/934255304.db2.gz BTYOCHLMUVCGFX-LJQANCHMSA-N 1 2 390.487 3.578 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](c3noc(C)n3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000931939439 934770375 /nfs/dbraw/zinc/77/03/75/934770375.db2.gz GLYLOFSUNQFEIS-HNNXBMFYSA-N 1 2 399.882 3.506 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000931939439 934770378 /nfs/dbraw/zinc/77/03/78/934770378.db2.gz GLYLOFSUNQFEIS-HNNXBMFYSA-N 1 2 399.882 3.506 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2[nH+]ccn2C)cc1 ZINC001123564705 935225537 /nfs/dbraw/zinc/22/55/37/935225537.db2.gz PMPSDGCBAAVUEK-UHFFFAOYSA-N 1 2 392.503 3.661 20 10 GHCDLO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)ccc1N1CCCCC1 ZINC000828059215 935571168 /nfs/dbraw/zinc/57/11/68/935571168.db2.gz OAEQAMXVNQBXNF-IRLDBZIGSA-N 1 2 384.520 3.903 20 10 GHCDLO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)ccc1N1CCCCC1 ZINC000828059215 935571171 /nfs/dbraw/zinc/57/11/71/935571171.db2.gz OAEQAMXVNQBXNF-IRLDBZIGSA-N 1 2 384.520 3.903 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C(F)(F)F)OC(C)(C)C3)cc2)CC1 ZINC000830003038 935889185 /nfs/dbraw/zinc/88/91/85/935889185.db2.gz UDGGZHJIQCLTJD-SFHVURJKSA-N 1 2 386.458 3.844 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C(F)(F)F)OC(C)(C)C3)cc2)CC1 ZINC000830003038 935889189 /nfs/dbraw/zinc/88/91/89/935889189.db2.gz UDGGZHJIQCLTJD-SFHVURJKSA-N 1 2 386.458 3.844 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)c(Cl)c1 ZINC001140923439 1022898444 /nfs/dbraw/zinc/89/84/44/1022898444.db2.gz AKWFBPSFEDGBRL-UHFFFAOYSA-N 1 2 388.943 3.935 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)c(Cl)c1 ZINC001140923439 1022898462 /nfs/dbraw/zinc/89/84/62/1022898462.db2.gz AKWFBPSFEDGBRL-UHFFFAOYSA-N 1 2 388.943 3.935 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140924393 1022901378 /nfs/dbraw/zinc/90/13/78/1022901378.db2.gz IFUDUASCHFVNSX-IAGOWNOFSA-N 1 2 385.911 3.843 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140924393 1022901382 /nfs/dbraw/zinc/90/13/82/1022901382.db2.gz IFUDUASCHFVNSX-IAGOWNOFSA-N 1 2 385.911 3.843 20 10 GHCDLO O=C(C[N@H+]1CCSC[C@H]1CCO)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000756082939 1023515847 /nfs/dbraw/zinc/51/58/47/1023515847.db2.gz LLWNCANDSIFICR-LJQANCHMSA-N 1 2 384.505 3.840 20 10 GHCDLO O=C(C[N@@H+]1CCSC[C@H]1CCO)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000756082939 1023515856 /nfs/dbraw/zinc/51/58/56/1023515856.db2.gz LLWNCANDSIFICR-LJQANCHMSA-N 1 2 384.505 3.840 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc(Br)cc(F)c1O ZINC000756350771 1023601451 /nfs/dbraw/zinc/60/14/51/1023601451.db2.gz FTKVVEBBSNHHEE-CMPLNLGQSA-N 1 2 382.229 3.784 20 10 GHCDLO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cc(Br)c(F)cc1O ZINC000756404293 1023630918 /nfs/dbraw/zinc/63/09/18/1023630918.db2.gz UNOROPNBWIDABL-LLVKDONJSA-N 1 2 391.244 3.725 20 10 GHCDLO C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(Br)cc(F)c1O ZINC000756769002 1023807783 /nfs/dbraw/zinc/80/77/83/1023807783.db2.gz HEEPZRHCSVLWSL-SNVBAGLBSA-N 1 2 380.261 3.855 20 10 GHCDLO CC1([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)OCCO1 ZINC001204937157 1033175585 /nfs/dbraw/zinc/17/55/85/1033175585.db2.gz HIJIFSPOYDLVDB-LBPRGKRZSA-N 1 2 390.705 3.783 20 10 GHCDLO CC1([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)OCCO1 ZINC001204937157 1033175592 /nfs/dbraw/zinc/17/55/92/1033175592.db2.gz HIJIFSPOYDLVDB-LBPRGKRZSA-N 1 2 390.705 3.783 20 10 GHCDLO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)c1C ZINC001138138575 1024207690 /nfs/dbraw/zinc/20/76/90/1024207690.db2.gz CSFDDGXGFYZZTQ-UHFFFAOYSA-N 1 2 395.503 3.867 20 10 GHCDLO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)c1C ZINC001138138575 1024207707 /nfs/dbraw/zinc/20/77/07/1024207707.db2.gz CSFDDGXGFYZZTQ-UHFFFAOYSA-N 1 2 395.503 3.867 20 10 GHCDLO Cc1c(C[N@@H+]2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138253867 1024476038 /nfs/dbraw/zinc/47/60/38/1024476038.db2.gz JNPYAKSEWVLSOM-GOSISDBHSA-N 1 2 378.520 3.746 20 10 GHCDLO Cc1c(C[N@H+]2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138253867 1024476051 /nfs/dbraw/zinc/47/60/51/1024476051.db2.gz JNPYAKSEWVLSOM-GOSISDBHSA-N 1 2 378.520 3.746 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)[C@H](c2ccccc2)C1 ZINC001138337912 1024699891 /nfs/dbraw/zinc/69/98/91/1024699891.db2.gz GIEPTBJQCKITEX-QFIPXVFZSA-N 1 2 377.532 3.580 20 10 GHCDLO C[N@H+]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)[C@H](c2ccccc2)C1 ZINC001138337912 1024699903 /nfs/dbraw/zinc/69/99/03/1024699903.db2.gz GIEPTBJQCKITEX-QFIPXVFZSA-N 1 2 377.532 3.580 20 10 GHCDLO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)[C@H]1C ZINC001141373051 1024761657 /nfs/dbraw/zinc/76/16/57/1024761657.db2.gz KVBREJAJYJFRMY-CABZTGNLSA-N 1 2 376.678 3.582 20 10 GHCDLO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)[C@H]1C ZINC001141373051 1024761666 /nfs/dbraw/zinc/76/16/66/1024761666.db2.gz KVBREJAJYJFRMY-CABZTGNLSA-N 1 2 376.678 3.582 20 10 GHCDLO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141374947 1024767233 /nfs/dbraw/zinc/76/72/33/1024767233.db2.gz SOYUQCMBNWWVSH-KWBADKCTSA-N 1 2 388.689 3.582 20 10 GHCDLO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141374947 1024767249 /nfs/dbraw/zinc/76/72/49/1024767249.db2.gz SOYUQCMBNWWVSH-KWBADKCTSA-N 1 2 388.689 3.582 20 10 GHCDLO Cc1nnc(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)s1 ZINC000839006634 1025513514 /nfs/dbraw/zinc/51/35/14/1025513514.db2.gz UQDWCUXUCVZSFR-UHFFFAOYSA-N 1 2 381.343 3.889 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)Cc1cncc(Br)c1 ZINC001139125142 1025937697 /nfs/dbraw/zinc/93/76/97/1025937697.db2.gz NMHUDMDNASSEFK-UHFFFAOYSA-N 1 2 389.249 3.597 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)Cc1cncc(Br)c1 ZINC001139125142 1025937702 /nfs/dbraw/zinc/93/77/02/1025937702.db2.gz NMHUDMDNASSEFK-UHFFFAOYSA-N 1 2 389.249 3.597 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC001139127019 1025939260 /nfs/dbraw/zinc/93/92/60/1025939260.db2.gz BAHQABBXJGBXPZ-UHFFFAOYSA-N 1 2 377.440 3.829 20 10 GHCDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139128887 1025940330 /nfs/dbraw/zinc/94/03/30/1025940330.db2.gz HTUWFIGAOQMLOC-INIZCTEOSA-N 1 2 395.455 3.859 20 10 GHCDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139128887 1025940336 /nfs/dbraw/zinc/94/03/36/1025940336.db2.gz HTUWFIGAOQMLOC-INIZCTEOSA-N 1 2 395.455 3.859 20 10 GHCDLO COc1ccccc1OC1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139131660 1025943280 /nfs/dbraw/zinc/94/32/80/1025943280.db2.gz QZMZDOCPKJGYHR-UHFFFAOYSA-N 1 2 395.455 3.859 20 10 GHCDLO COC(=O)c1cc(OC)cc(OC)c1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001141705717 1026302688 /nfs/dbraw/zinc/30/26/88/1026302688.db2.gz MFIVHFOAJCBSPR-UHFFFAOYSA-N 1 2 398.503 3.723 20 10 GHCDLO COC(=O)c1cc(OC)cc(OC)c1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001141705717 1026302701 /nfs/dbraw/zinc/30/27/01/1026302701.db2.gz MFIVHFOAJCBSPR-UHFFFAOYSA-N 1 2 398.503 3.723 20 10 GHCDLO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc(Br)cc(F)c2O)cn1 ZINC001203161728 1027219534 /nfs/dbraw/zinc/21/95/34/1027219534.db2.gz RBJVKHRYKBLILF-WBMJQRKESA-N 1 2 382.277 3.528 20 10 GHCDLO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001203429062 1027326258 /nfs/dbraw/zinc/32/62/58/1027326258.db2.gz VTHAXIBENVFGPG-LDYMZIIASA-N 1 2 381.108 3.556 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210215753 1027386460 /nfs/dbraw/zinc/38/64/60/1027386460.db2.gz MRRGALPHHWXQFA-INIZCTEOSA-N 1 2 381.701 3.955 20 10 GHCDLO OC[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)C1 ZINC000840977429 1028016829 /nfs/dbraw/zinc/01/68/29/1028016829.db2.gz HQJFSPKNAASYME-JOYOIKCWSA-N 1 2 393.119 3.558 20 10 GHCDLO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)c(F)cc1O ZINC000841764749 1028923609 /nfs/dbraw/zinc/92/36/09/1028923609.db2.gz ZRTOYFBTUOHMKS-NSHDSACASA-N 1 2 390.293 3.512 20 10 GHCDLO C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000843434642 1030008490 /nfs/dbraw/zinc/00/84/90/1030008490.db2.gz LXSYKOCQXHGACF-RDDDGLTNSA-N 1 2 381.133 3.901 20 10 GHCDLO Cc1cc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)cc(C)c1F ZINC001217056193 1030128807 /nfs/dbraw/zinc/12/88/07/1030128807.db2.gz GAGKDXVWVNEIOR-UHFFFAOYSA-N 1 2 383.423 3.697 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc2[nH]c(=O)oc2c1 ZINC001461669902 1069669149 /nfs/dbraw/zinc/66/91/49/1069669149.db2.gz HMFOVXQUTCDWEJ-QMMMGPOBSA-N 1 2 381.201 3.991 20 10 GHCDLO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881605 1030526547 /nfs/dbraw/zinc/52/65/47/1030526547.db2.gz YVAAIHUCOYRUMJ-KZULUSFZSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881605 1030526560 /nfs/dbraw/zinc/52/65/60/1030526560.db2.gz YVAAIHUCOYRUMJ-KZULUSFZSA-N 1 2 399.304 3.517 20 10 GHCDLO CC(C)CN1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@@H](C)C1=O ZINC001205489125 1033436893 /nfs/dbraw/zinc/43/68/93/1033436893.db2.gz KKNXHRMQUNXWDP-FQEVSTJZSA-N 1 2 391.559 3.938 20 10 GHCDLO CC(C)CN1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@@H](C)C1=O ZINC001205489125 1033436900 /nfs/dbraw/zinc/43/69/00/1033436900.db2.gz KKNXHRMQUNXWDP-FQEVSTJZSA-N 1 2 391.559 3.938 20 10 GHCDLO CCc1cccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c1O ZINC001461863329 1069804212 /nfs/dbraw/zinc/80/42/12/1069804212.db2.gz FEDUPEPZUQEYDU-QGZVFWFLSA-N 1 2 378.394 3.647 20 10 GHCDLO CCc1cccc(C[N@H+]2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c1O ZINC001461863329 1069804237 /nfs/dbraw/zinc/80/42/37/1069804237.db2.gz FEDUPEPZUQEYDU-QGZVFWFLSA-N 1 2 378.394 3.647 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3F)CC2)cc1 ZINC001206034365 1033696028 /nfs/dbraw/zinc/69/60/28/1033696028.db2.gz JRMVWUHMIASBGN-UHFFFAOYSA-N 1 2 378.875 3.827 20 10 GHCDLO COC(=O)C[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001207738894 1034549877 /nfs/dbraw/zinc/54/98/77/1034549877.db2.gz POJPMPLGSVPTEQ-HNNXBMFYSA-N 1 2 396.256 3.558 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@]23CCN(CC(C)C)C3=O)c1 ZINC001277540387 1034753826 /nfs/dbraw/zinc/75/38/26/1034753826.db2.gz LADJHPBLDCABNP-LJQANCHMSA-N 1 2 395.341 3.686 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@]23CCN(CC(C)C)C3=O)c1 ZINC001277540387 1034753835 /nfs/dbraw/zinc/75/38/35/1034753835.db2.gz LADJHPBLDCABNP-LJQANCHMSA-N 1 2 395.341 3.686 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2c1cnn2CC1CC1 ZINC001231852242 1034942494 /nfs/dbraw/zinc/94/24/94/1034942494.db2.gz ICXXNTJAROUXDA-LJQANCHMSA-N 1 2 398.551 3.504 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2c1cnn2CC1CC1 ZINC001231852242 1034942499 /nfs/dbraw/zinc/94/24/99/1034942499.db2.gz ICXXNTJAROUXDA-LJQANCHMSA-N 1 2 398.551 3.504 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1Cl ZINC001231867621 1034954228 /nfs/dbraw/zinc/95/42/28/1034954228.db2.gz NKZLOXKCSUGVSL-WMZOPIPTSA-N 1 2 396.915 3.564 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1Cl ZINC001231867621 1034954232 /nfs/dbraw/zinc/95/42/32/1034954232.db2.gz NKZLOXKCSUGVSL-WMZOPIPTSA-N 1 2 396.915 3.564 20 10 GHCDLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccc(Cl)c2O)cs1 ZINC001231912237 1034987230 /nfs/dbraw/zinc/98/72/30/1034987230.db2.gz XXRGNXYVWAOPHF-YQVWRLOYSA-N 1 2 394.924 3.759 20 10 GHCDLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccc(Cl)c2O)cs1 ZINC001231912237 1034987232 /nfs/dbraw/zinc/98/72/32/1034987232.db2.gz XXRGNXYVWAOPHF-YQVWRLOYSA-N 1 2 394.924 3.759 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(-c2ccc(NCC[NH+]3CCN(C)CC3)nc2)cc1 ZINC001241561373 1035624297 /nfs/dbraw/zinc/62/42/97/1035624297.db2.gz WVUDITKNMHBRCC-UHFFFAOYSA-N 1 2 389.547 3.815 20 10 GHCDLO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232270101 1037994367 /nfs/dbraw/zinc/99/43/67/1037994367.db2.gz TYVPJSACWSWQKF-CQSZACIVSA-N 1 2 384.904 3.886 20 10 GHCDLO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232270101 1037994371 /nfs/dbraw/zinc/99/43/71/1037994371.db2.gz TYVPJSACWSWQKF-CQSZACIVSA-N 1 2 384.904 3.886 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(F)c(C)c(F)c3)CC2)cc1 ZINC001232428053 1038208566 /nfs/dbraw/zinc/20/85/66/1038208566.db2.gz YRIHELTXJXETIK-UHFFFAOYSA-N 1 2 376.447 3.621 20 10 GHCDLO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233033148 1038789224 /nfs/dbraw/zinc/78/92/24/1038789224.db2.gz IQZYLUPEDKFUQR-ZDUSSCGKSA-N 1 2 378.241 3.999 20 10 GHCDLO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233033148 1038789240 /nfs/dbraw/zinc/78/92/40/1038789240.db2.gz IQZYLUPEDKFUQR-ZDUSSCGKSA-N 1 2 378.241 3.999 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1Br ZINC001233141006 1038919128 /nfs/dbraw/zinc/91/91/28/1038919128.db2.gz BQWYAKQCOQYXDL-INIZCTEOSA-N 1 2 392.293 3.607 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1Br ZINC001233141006 1038919132 /nfs/dbraw/zinc/91/91/32/1038919132.db2.gz BQWYAKQCOQYXDL-INIZCTEOSA-N 1 2 392.293 3.607 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001233333248 1039130448 /nfs/dbraw/zinc/13/04/48/1039130448.db2.gz OWOLDEVSUOIOPQ-YCRPNKLZSA-N 1 2 390.430 3.516 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001233333248 1039130467 /nfs/dbraw/zinc/13/04/67/1039130467.db2.gz OWOLDEVSUOIOPQ-YCRPNKLZSA-N 1 2 390.430 3.516 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001233336277 1039139305 /nfs/dbraw/zinc/13/93/05/1039139305.db2.gz GFVYFSLRLITGEU-SNVBAGLBSA-N 1 2 389.324 3.523 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001233336277 1039139317 /nfs/dbraw/zinc/13/93/17/1039139317.db2.gz GFVYFSLRLITGEU-SNVBAGLBSA-N 1 2 389.324 3.523 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3O)[C@H]2C1 ZINC001233417921 1039277111 /nfs/dbraw/zinc/27/71/11/1039277111.db2.gz MYEXLJNZEFYPQK-CJNGLKHVSA-N 1 2 394.393 3.741 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3O)[C@H]2C1 ZINC001233417921 1039277123 /nfs/dbraw/zinc/27/71/23/1039277123.db2.gz MYEXLJNZEFYPQK-CJNGLKHVSA-N 1 2 394.393 3.741 20 10 GHCDLO Oc1c(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)cccc1C(F)(F)F ZINC001233420044 1039282736 /nfs/dbraw/zinc/28/27/36/1039282736.db2.gz XHYHNKLFJUAXEL-GFCCVEGCSA-N 1 2 390.203 3.817 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)cccc1C(F)(F)F ZINC001233420044 1039282747 /nfs/dbraw/zinc/28/27/47/1039282747.db2.gz XHYHNKLFJUAXEL-GFCCVEGCSA-N 1 2 390.203 3.817 20 10 GHCDLO OC[C@@]1([NH2+]Cc2cccc(Cl)c2O)CCc2cc(Br)ccc2C1 ZINC001462425259 1070243623 /nfs/dbraw/zinc/24/36/23/1070243623.db2.gz BIJZOGRNKDRPFQ-GOSISDBHSA-N 1 2 396.712 3.818 20 10 GHCDLO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c(F)c1 ZINC001462459551 1070268840 /nfs/dbraw/zinc/26/88/40/1070268840.db2.gz UANLZMVZDOJTBA-UHFFFAOYSA-N 1 2 386.192 3.509 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235063997 1040553326 /nfs/dbraw/zinc/55/33/26/1040553326.db2.gz CPSVWPIPQVYXEV-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235063997 1040553338 /nfs/dbraw/zinc/55/33/38/1040553338.db2.gz CPSVWPIPQVYXEV-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO COc1ccc(C[N@H+](C)Cc2cc(Br)cc(F)c2O)c(OC)c1 ZINC001235068402 1040557653 /nfs/dbraw/zinc/55/76/53/1040557653.db2.gz GLHVWEXERSDCQB-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1ccc(C[N@@H+](C)Cc2cc(Br)cc(F)c2O)c(OC)c1 ZINC001235068402 1040557657 /nfs/dbraw/zinc/55/76/57/1040557657.db2.gz GLHVWEXERSDCQB-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1 ZINC001236663318 1041811077 /nfs/dbraw/zinc/81/10/77/1041811077.db2.gz LPORDASTXHLWKO-UGSOOPFHSA-N 1 2 397.313 3.562 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1 ZINC001236663318 1041811087 /nfs/dbraw/zinc/81/10/87/1041811087.db2.gz LPORDASTXHLWKO-UGSOOPFHSA-N 1 2 397.313 3.562 20 10 GHCDLO COc1cc(C[NH+]2CCN(c3cccc(F)c3)CC2)c(O)cc1Br ZINC001236751090 1041871559 /nfs/dbraw/zinc/87/15/59/1041871559.db2.gz NUQJSZFMCUYSAE-UHFFFAOYSA-N 1 2 395.272 3.625 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)c(O)c1Cl ZINC001236812247 1041912194 /nfs/dbraw/zinc/91/21/94/1041912194.db2.gz UIIBLEKIJRXZIX-GXTWGEPZSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)c(O)c1Cl ZINC001236812247 1041912196 /nfs/dbraw/zinc/91/21/96/1041912196.db2.gz UIIBLEKIJRXZIX-GXTWGEPZSA-N 1 2 384.904 3.932 20 10 GHCDLO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cc(Br)cc1F ZINC001278043067 1041996975 /nfs/dbraw/zinc/99/69/75/1041996975.db2.gz CRXJZNDOGNIAKR-HFBAOOFYSA-N 1 2 399.304 3.658 20 10 GHCDLO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)cc(Br)cc1F ZINC001278043067 1041996976 /nfs/dbraw/zinc/99/69/76/1041996976.db2.gz CRXJZNDOGNIAKR-HFBAOOFYSA-N 1 2 399.304 3.658 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001237077880 1042024113 /nfs/dbraw/zinc/02/41/13/1042024113.db2.gz LLKMMFCSONUFRA-YPMHNXCESA-N 1 2 376.177 3.926 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001237077880 1042024115 /nfs/dbraw/zinc/02/41/15/1042024115.db2.gz LLKMMFCSONUFRA-YPMHNXCESA-N 1 2 376.177 3.926 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001237125352 1042053132 /nfs/dbraw/zinc/05/31/32/1042053132.db2.gz YBDMNUVKSRGNIC-ILZDJORESA-N 1 2 392.858 3.528 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001237125352 1042053136 /nfs/dbraw/zinc/05/31/36/1042053136.db2.gz YBDMNUVKSRGNIC-ILZDJORESA-N 1 2 392.858 3.528 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237135202 1042057140 /nfs/dbraw/zinc/05/71/40/1042057140.db2.gz GSAXKYXDNPZLCD-LSDHHAIUSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237135202 1042057146 /nfs/dbraw/zinc/05/71/46/1042057146.db2.gz GSAXKYXDNPZLCD-LSDHHAIUSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@]1(F)CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237146384 1042063473 /nfs/dbraw/zinc/06/34/73/1042063473.db2.gz UTVLSOIIVAMIMS-QGZVFWFLSA-N 1 2 392.393 3.850 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@]1(F)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237146384 1042063477 /nfs/dbraw/zinc/06/34/77/1042063477.db2.gz UTVLSOIIVAMIMS-QGZVFWFLSA-N 1 2 392.393 3.850 20 10 GHCDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237220665 1042094982 /nfs/dbraw/zinc/09/49/82/1042094982.db2.gz QBGMWVLLEHDTPQ-INIZCTEOSA-N 1 2 392.952 3.768 20 10 GHCDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237220665 1042094985 /nfs/dbraw/zinc/09/49/85/1042094985.db2.gz QBGMWVLLEHDTPQ-INIZCTEOSA-N 1 2 392.952 3.768 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)CC[C@@H]2C1 ZINC001237617123 1042284106 /nfs/dbraw/zinc/28/41/06/1042284106.db2.gz KXYVHTKSSREZMA-OCCSQVGLSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)CC[C@@H]2C1 ZINC001237617123 1042284113 /nfs/dbraw/zinc/28/41/13/1042284113.db2.gz KXYVHTKSSREZMA-OCCSQVGLSA-N 1 2 384.879 3.874 20 10 GHCDLO COc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC001237620822 1042287851 /nfs/dbraw/zinc/28/78/51/1042287851.db2.gz QPUBEDLJYAVJRI-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO Cc1cccc2c1CC[N@H+](Cc1cccc(I)c1O)C2 ZINC001237777900 1042364909 /nfs/dbraw/zinc/36/49/09/1042364909.db2.gz QCBHDYMNOPTMRK-UHFFFAOYSA-N 1 2 379.241 3.864 20 10 GHCDLO Cc1cccc2c1CC[N@@H+](Cc1cccc(I)c1O)C2 ZINC001237777900 1042364915 /nfs/dbraw/zinc/36/49/15/1042364915.db2.gz QCBHDYMNOPTMRK-UHFFFAOYSA-N 1 2 379.241 3.864 20 10 GHCDLO Oc1c(C[NH+]2CC3(C2)CCOCC3)cc(Br)cc1C(F)(F)F ZINC001237781737 1042366665 /nfs/dbraw/zinc/36/66/65/1042366665.db2.gz RVBFLLXBYCXPIW-UHFFFAOYSA-N 1 2 380.204 3.786 20 10 GHCDLO Cc1cc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)c(C)n1-c1ccccn1 ZINC001301783087 1046700336 /nfs/dbraw/zinc/70/03/36/1046700336.db2.gz VNCUNSSBHKXLDT-UHFFFAOYSA-N 1 2 385.471 3.783 20 10 GHCDLO O=C(Cc1ccsc1)N1C[C@@H]2CC[N@@H+](Cc3c(O)ccc(F)c3Cl)[C@@H]2C1 ZINC001279683889 1047912569 /nfs/dbraw/zinc/91/25/69/1047912569.db2.gz LBCUNHVENVZDSD-XJKSGUPXSA-N 1 2 394.899 3.522 20 10 GHCDLO O=C(Cc1ccsc1)N1C[C@@H]2CC[N@H+](Cc3c(O)ccc(F)c3Cl)[C@@H]2C1 ZINC001279683889 1047912570 /nfs/dbraw/zinc/91/25/70/1047912570.db2.gz LBCUNHVENVZDSD-XJKSGUPXSA-N 1 2 394.899 3.522 20 10 GHCDLO CC(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001307529161 1049374585 /nfs/dbraw/zinc/37/45/85/1049374585.db2.gz HOJBAMDFCXASOM-JKSUJKDBSA-N 1 2 390.483 3.767 20 10 GHCDLO CC(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001307529161 1049374593 /nfs/dbraw/zinc/37/45/93/1049374593.db2.gz HOJBAMDFCXASOM-JKSUJKDBSA-N 1 2 390.483 3.767 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccnc(OCC2CC2)c1 ZINC001308246360 1049925550 /nfs/dbraw/zinc/92/55/50/1049925550.db2.gz FBXKHEYFWIMKHU-UHFFFAOYSA-N 1 2 381.245 3.767 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC001308349980 1049955077 /nfs/dbraw/zinc/95/50/77/1049955077.db2.gz UNABRAHGQJDPJS-LBPRGKRZSA-N 1 2 376.678 3.583 20 10 GHCDLO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000848572220 1057187770 /nfs/dbraw/zinc/18/77/70/1057187770.db2.gz HIWMDXAAFKMTKX-LLVKDONJSA-N 1 2 396.256 3.860 20 10 GHCDLO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001459506109 1064115551 /nfs/dbraw/zinc/11/55/51/1064115551.db2.gz IPNIJNUNDVCXLI-HZPDHXFCSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001459506109 1064115552 /nfs/dbraw/zinc/11/55/52/1064115552.db2.gz IPNIJNUNDVCXLI-HZPDHXFCSA-N 1 2 390.483 3.911 20 10 GHCDLO COc1cc(CNc2cc(CSCCO)cc[nH+]2)c(O)c(C(C)(C)C)c1 ZINC000849345098 1067812722 /nfs/dbraw/zinc/81/27/22/1067812722.db2.gz JVCIGYPWNYLBOD-UHFFFAOYSA-N 1 2 376.522 3.931 20 10 GHCDLO COc1cc(CNc2cccc(CN3CCOCC3)[nH+]2)c(O)c(C(C)(C)C)c1 ZINC000849344749 1067814097 /nfs/dbraw/zinc/81/40/97/1067814097.db2.gz BJLXVNZLMPWZAX-UHFFFAOYSA-N 1 2 385.508 3.538 20 10 GHCDLO CCOCCOC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001474332424 1074346679 /nfs/dbraw/zinc/34/66/79/1074346679.db2.gz DVMHZILLGNEITE-UHFFFAOYSA-N 1 2 392.721 3.826 20 10 GHCDLO Brc1cc(C[N@@H+]2CCCC3(C2)OCCO3)ccc1N1CCCCC1 ZINC001474433978 1074404745 /nfs/dbraw/zinc/40/47/45/1074404745.db2.gz HGXJINHZFIDPGM-UHFFFAOYSA-N 1 2 395.341 3.778 20 10 GHCDLO Brc1cc(C[N@H+]2CCCC3(C2)OCCO3)ccc1N1CCCCC1 ZINC001474433978 1074404749 /nfs/dbraw/zinc/40/47/49/1074404749.db2.gz HGXJINHZFIDPGM-UHFFFAOYSA-N 1 2 395.341 3.778 20 10 GHCDLO NC(=O)CC1CC[NH+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255864488 836156786 /nfs/dbraw/zinc/15/67/86/836156786.db2.gz FNXPDHYFHZPYRA-UHFFFAOYSA-N 1 2 379.464 3.628 20 10 GHCDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588406609 841027390 /nfs/dbraw/zinc/02/73/90/841027390.db2.gz MMHCSRYPDIRWDZ-YHTRPRNISA-N 1 2 386.879 3.670 20 10 GHCDLO Cc1cc(C(=O)COC(=O)CCc2ccc(N)[nH+]c2)c(C)n1-c1ccc(C)cc1 ZINC000759815213 841788617 /nfs/dbraw/zinc/78/86/17/841788617.db2.gz OGXZDABCAWOVPH-UHFFFAOYSA-N 1 2 391.471 3.738 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000066927081 842658658 /nfs/dbraw/zinc/65/86/58/842658658.db2.gz RIWADSCAHLONAD-UHFFFAOYSA-N 1 2 399.514 3.535 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000067127187 844869012 /nfs/dbraw/zinc/86/90/12/844869012.db2.gz VQVFUPDTYWKJOQ-UHFFFAOYSA-N 1 2 399.510 3.525 20 10 GHCDLO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894781418 852198357 /nfs/dbraw/zinc/19/83/57/852198357.db2.gz OTSBCHIDQBTRLM-LBPRGKRZSA-N 1 2 389.721 3.546 20 10 GHCDLO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894781418 852198362 /nfs/dbraw/zinc/19/83/62/852198362.db2.gz OTSBCHIDQBTRLM-LBPRGKRZSA-N 1 2 389.721 3.546 20 10 GHCDLO COc1ccc(N(c2ccc(N)cc2)c2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212362956 857003034 /nfs/dbraw/zinc/00/30/34/857003034.db2.gz WUVSFZVNMZJLIX-UHFFFAOYSA-N 1 2 376.460 3.979 20 10 GHCDLO O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816093 857790626 /nfs/dbraw/zinc/79/06/26/857790626.db2.gz QDCIHSWANXJNPB-AYAUWGRQSA-N 1 2 381.476 3.556 20 10 GHCDLO O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816093 857790632 /nfs/dbraw/zinc/79/06/32/857790632.db2.gz QDCIHSWANXJNPB-AYAUWGRQSA-N 1 2 381.476 3.556 20 10 GHCDLO COc1cc(N2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)cc(OC)c1OC ZINC000761218785 859395767 /nfs/dbraw/zinc/39/57/67/859395767.db2.gz IPEXOQFBHBRQAV-UHFFFAOYSA-N 1 2 394.874 3.827 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000030283505 881798213 /nfs/dbraw/zinc/79/82/13/881798213.db2.gz HBNSNOYHDRQKTE-UHFFFAOYSA-N 1 2 393.531 3.576 20 10 GHCDLO CCOc1cc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)ccc1[N+](=O)[O-] ZINC000793298350 882075837 /nfs/dbraw/zinc/07/58/37/882075837.db2.gz FCNPDKLEGWSYHE-UHFFFAOYSA-N 1 2 391.855 3.675 20 10 GHCDLO Cc1cc(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000804334206 871710430 /nfs/dbraw/zinc/71/04/30/871710430.db2.gz BHEBPBOHPIJITJ-GOSISDBHSA-N 1 2 382.895 3.618 20 10 GHCDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775660645 872447091 /nfs/dbraw/zinc/44/70/91/872447091.db2.gz GHFPEOMYVSTJLK-UHFFFAOYSA-N 1 2 377.847 3.971 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(C)n1-c1ccc(F)cc1 ZINC000767904388 872950086 /nfs/dbraw/zinc/95/00/86/872950086.db2.gz BWLOCBKIQSXPJF-TZIWHRDSSA-N 1 2 388.508 3.622 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)c(C)n1-c1ccc(F)cc1 ZINC000767904388 872950098 /nfs/dbraw/zinc/95/00/98/872950098.db2.gz BWLOCBKIQSXPJF-TZIWHRDSSA-N 1 2 388.508 3.622 20 10 GHCDLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)Cc1cccc(C)c1O ZINC000775746970 873437573 /nfs/dbraw/zinc/43/75/73/873437573.db2.gz IYNPWTFKCQNUMI-INIZCTEOSA-N 1 2 378.266 3.809 20 10 GHCDLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)Cc1cccc(C)c1O ZINC000775746970 873437576 /nfs/dbraw/zinc/43/75/76/873437576.db2.gz IYNPWTFKCQNUMI-INIZCTEOSA-N 1 2 378.266 3.809 20 10 GHCDLO C[C@H]1C[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000776256952 876064594 /nfs/dbraw/zinc/06/45/94/876064594.db2.gz UQKSIOJUXVWWIT-VHSXEESVSA-N 1 2 393.119 3.822 20 10 GHCDLO C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(Br)cc(F)c1O ZINC000850485588 876959508 /nfs/dbraw/zinc/95/95/08/876959508.db2.gz LLXLAKKKQVBQKI-ZETCQYMHSA-N 1 2 394.166 3.953 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cc(Br)cc(F)c1O ZINC000850503239 876978054 /nfs/dbraw/zinc/97/80/54/876978054.db2.gz VFUFMWSOWIYFJD-GEUJYKRQSA-N 1 2 378.307 3.634 20 10 GHCDLO O=C(C[N@@H+]1CC[C@H](N2CCOC2=O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852433946 878320160 /nfs/dbraw/zinc/32/01/60/878320160.db2.gz CMIPWXBNXMVQMK-IBGZPJMESA-N 1 2 393.447 3.567 20 10 GHCDLO O=C(C[N@H+]1CC[C@H](N2CCOC2=O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852433946 878320177 /nfs/dbraw/zinc/32/01/77/878320177.db2.gz CMIPWXBNXMVQMK-IBGZPJMESA-N 1 2 393.447 3.567 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000111233064 878959532 /nfs/dbraw/zinc/95/95/32/878959532.db2.gz HZJZLWPFXZIAQG-NRFANRHFSA-N 1 2 377.488 3.818 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1nccn1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000111233064 878959544 /nfs/dbraw/zinc/95/95/44/878959544.db2.gz HZJZLWPFXZIAQG-NRFANRHFSA-N 1 2 377.488 3.818 20 10 GHCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CCC[C@@H]1O ZINC001203563865 912404002 /nfs/dbraw/zinc/40/40/02/912404002.db2.gz AHRANBYZCWPQOR-ZANVPECISA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CCC[C@@H]1O ZINC001203563865 912404006 /nfs/dbraw/zinc/40/40/06/912404006.db2.gz AHRANBYZCWPQOR-ZANVPECISA-N 1 2 393.119 3.510 20 10 GHCDLO COC(=O)C[N@H+](Cc1cccc(Br)c1)Cc1cc(C)ccc1O ZINC000789593814 879102020 /nfs/dbraw/zinc/10/20/20/879102020.db2.gz AVSLXZPLQQVZPA-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO COC(=O)C[N@@H+](Cc1cccc(Br)c1)Cc1cc(C)ccc1O ZINC000789593814 879102027 /nfs/dbraw/zinc/10/20/27/879102027.db2.gz AVSLXZPLQQVZPA-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(CCc3ccc(F)cc3)C2=O)c1 ZINC000790593295 879849839 /nfs/dbraw/zinc/84/98/39/879849839.db2.gz YZQJIVJZQPOMQB-BOPFTXTBSA-N 1 2 388.489 3.982 20 10 GHCDLO COc1c(O)c(C[N@H+](C)Cc2cscc2Br)ccc1[N+](=O)[O-] ZINC001183572617 912653215 /nfs/dbraw/zinc/65/32/15/912653215.db2.gz MYZLHKFQVMUPAF-UHFFFAOYSA-N 1 2 387.255 3.765 20 10 GHCDLO COc1c(O)c(C[N@@H+](C)Cc2cscc2Br)ccc1[N+](=O)[O-] ZINC001183572617 912653223 /nfs/dbraw/zinc/65/32/23/912653223.db2.gz MYZLHKFQVMUPAF-UHFFFAOYSA-N 1 2 387.255 3.765 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)cc(Cl)c1O ZINC000858603496 883225912 /nfs/dbraw/zinc/22/59/12/883225912.db2.gz VQKVIYHASZTSAB-LKFCYVNXSA-N 1 2 387.705 3.612 20 10 GHCDLO Cc1cc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)c(C)n1-c1ccccc1 ZINC000858802232 883366370 /nfs/dbraw/zinc/36/63/70/883366370.db2.gz FXIFFOPFYLIDIY-RTBURBONSA-N 1 2 391.519 3.703 20 10 GHCDLO Cc1cc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)c(C)n1-c1ccccc1 ZINC000858802232 883366387 /nfs/dbraw/zinc/36/63/87/883366387.db2.gz FXIFFOPFYLIDIY-RTBURBONSA-N 1 2 391.519 3.703 20 10 GHCDLO Cc1cc(CNC(=O)N(C)CCCn2cc[nH+]c2)c(C)n1-c1cccc(C)c1 ZINC000858905348 883443480 /nfs/dbraw/zinc/44/34/80/883443480.db2.gz UREMGPOMZCHRIE-UHFFFAOYSA-N 1 2 379.508 3.831 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1)c1ccc(Cl)cc1 ZINC001184047040 912984699 /nfs/dbraw/zinc/98/46/99/912984699.db2.gz ZMJOIQDXUBWUHW-OAHLLOKOSA-N 1 2 380.822 3.718 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1)c1ccc(Cl)cc1 ZINC001184047040 912984708 /nfs/dbraw/zinc/98/47/08/912984708.db2.gz ZMJOIQDXUBWUHW-OAHLLOKOSA-N 1 2 380.822 3.718 20 10 GHCDLO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1cc(Br)cc(Cl)c1O ZINC000808728931 886744355 /nfs/dbraw/zinc/74/43/55/886744355.db2.gz HEQKTXUQLBHGBR-YCELRVBUSA-N 1 2 398.684 3.953 20 10 GHCDLO CC(C)C[C@H](CO)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000809767520 887755364 /nfs/dbraw/zinc/75/53/64/887755364.db2.gz NGJQWPHYOWLSBE-GFCCVEGCSA-N 1 2 395.135 3.756 20 10 GHCDLO CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000809767520 887755377 /nfs/dbraw/zinc/75/53/77/887755377.db2.gz NGJQWPHYOWLSBE-GFCCVEGCSA-N 1 2 395.135 3.756 20 10 GHCDLO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(Br)c(F)cc1O ZINC000866564923 888940074 /nfs/dbraw/zinc/94/00/74/888940074.db2.gz FQORUQCSTFNEDH-SSDOTTSWSA-N 1 2 378.192 3.816 20 10 GHCDLO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cccc(Cl)c1O ZINC000287531518 913391876 /nfs/dbraw/zinc/39/18/76/913391876.db2.gz DRJCZBYFUDCSRL-MRXNPFEDSA-N 1 2 388.961 3.679 20 10 GHCDLO COc1ccc(N2CCC[N@H+](Cn3c(=S)ncn3-c3ccccc3)CC2)cc1 ZINC000917484412 892052041 /nfs/dbraw/zinc/05/20/41/892052041.db2.gz FZWHMHWGXZCPRQ-UHFFFAOYSA-N 1 2 395.532 3.582 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](Cn3c(=S)ncn3-c3ccccc3)CC2)cc1 ZINC000917484412 892052051 /nfs/dbraw/zinc/05/20/51/892052051.db2.gz FZWHMHWGXZCPRQ-UHFFFAOYSA-N 1 2 395.532 3.582 20 10 GHCDLO CSc1nnc(CCC[NH2+]Cc2cc(Cl)c(F)cc2O)n1CC(C)C ZINC000816549007 894917964 /nfs/dbraw/zinc/91/79/64/894917964.db2.gz ACHNWTDSBBNCHQ-UHFFFAOYSA-N 1 2 386.924 3.877 20 10 GHCDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(C)cc(Br)c2O)s1 ZINC000818230749 896090889 /nfs/dbraw/zinc/09/08/89/896090889.db2.gz DIJGLDGEXSSQDF-SECBINFHSA-N 1 2 385.283 3.557 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000883136199 897312707 /nfs/dbraw/zinc/31/27/07/897312707.db2.gz XBZZJIGLRLKWID-ZBFHGGJFSA-N 1 2 381.245 3.699 20 10 GHCDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000820871409 897582746 /nfs/dbraw/zinc/58/27/46/897582746.db2.gz DVGWVPXFZOFHOM-QGZVFWFLSA-N 1 2 393.365 3.904 20 10 GHCDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000824606261 899717276 /nfs/dbraw/zinc/71/72/76/899717276.db2.gz QCHSKOPSQIRUAC-UHFFFAOYSA-N 1 2 375.266 3.671 20 10 GHCDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(Br)cc1O)C2 ZINC000824606261 899717277 /nfs/dbraw/zinc/71/72/77/899717277.db2.gz QCHSKOPSQIRUAC-UHFFFAOYSA-N 1 2 375.266 3.671 20 10 GHCDLO COC[C@@]1(C)CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000824583685 899723995 /nfs/dbraw/zinc/72/39/95/899723995.db2.gz OUIQZBXDHKKKDI-AWEZNQCLSA-N 1 2 393.119 3.776 20 10 GHCDLO COC[C@@]1(C)CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000824583685 899724015 /nfs/dbraw/zinc/72/40/15/899724015.db2.gz OUIQZBXDHKKKDI-AWEZNQCLSA-N 1 2 393.119 3.776 20 10 GHCDLO CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C[C@@H]1C ZINC000824815707 899822812 /nfs/dbraw/zinc/82/28/12/899822812.db2.gz XDAJBUWHJYRDNZ-TVQRCGJNSA-N 1 2 393.119 3.774 20 10 GHCDLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C[C@@H]1C ZINC000824815707 899822821 /nfs/dbraw/zinc/82/28/21/899822821.db2.gz XDAJBUWHJYRDNZ-TVQRCGJNSA-N 1 2 393.119 3.774 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001144299584 901649532 /nfs/dbraw/zinc/64/95/32/901649532.db2.gz BBGRHEFXVBWYIV-UHFFFAOYSA-N 1 2 381.245 3.732 20 10 GHCDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2O)C[C@@H](C)O1 ZINC000047570140 902156999 /nfs/dbraw/zinc/15/69/99/902156999.db2.gz JIQBEEFTKZQEMC-IAGOWNOFSA-N 1 2 383.492 3.665 20 10 GHCDLO COc1c(O)c(C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000365806262 921177456 /nfs/dbraw/zinc/17/74/56/921177456.db2.gz OHBWNMNEEWNNNT-LJQANCHMSA-N 1 2 379.416 3.892 20 10 GHCDLO C[C@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773625192 908458182 /nfs/dbraw/zinc/45/81/82/908458182.db2.gz QAAOICBZKLYYPF-UWJYYQICSA-N 1 2 391.519 3.830 20 10 GHCDLO C[C@H]1CN(c2ccc(NCc3ccc(Br)cc3O)c[nH+]2)C[C@H](C)O1 ZINC001181350456 910719880 /nfs/dbraw/zinc/71/98/80/910719880.db2.gz SAQIWBQJAUGUAG-STQMWFEESA-N 1 2 392.297 3.775 20 10 GHCDLO CC(C)(C)CC(=O)N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000775153935 915606685 /nfs/dbraw/zinc/60/66/85/915606685.db2.gz XDFQTMXYVIEYHL-UHFFFAOYSA-N 1 2 383.330 3.672 20 10 GHCDLO COCCn1cc(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2O)cn1 ZINC000800494620 920182679 /nfs/dbraw/zinc/18/26/79/920182679.db2.gz FPUYWXLRBVKTQX-JTQLQIEISA-N 1 2 388.693 3.502 20 10 GHCDLO CCCCN(Cc1ccccc1O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000802217504 921917555 /nfs/dbraw/zinc/91/75/55/921917555.db2.gz MNTUALJAHJSBMH-UHFFFAOYSA-N 1 2 380.492 3.903 20 10 GHCDLO CC[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cccc(Cl)c1O ZINC000903424150 923013559 /nfs/dbraw/zinc/01/35/59/923013559.db2.gz MZIQOYQLOOOCBA-KRWDZBQOSA-N 1 2 382.913 3.682 20 10 GHCDLO Oc1ccc2oc3c(c2c1C[N@@H+]1CCO[C@@H](c2noc(C4CC4)n2)C1)CCCC3 ZINC000750007149 927390966 /nfs/dbraw/zinc/39/09/66/927390966.db2.gz BZZJIAXDMXHEPK-LJQANCHMSA-N 1 2 395.459 3.851 20 10 GHCDLO Oc1ccc2oc3c(c2c1C[N@H+]1CCO[C@@H](c2noc(C4CC4)n2)C1)CCCC3 ZINC000750007149 927390975 /nfs/dbraw/zinc/39/09/75/927390975.db2.gz BZZJIAXDMXHEPK-LJQANCHMSA-N 1 2 395.459 3.851 20 10 GHCDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000750404330 927607211 /nfs/dbraw/zinc/60/72/11/927607211.db2.gz SPRPDSAPBLDDTQ-FQEVSTJZSA-N 1 2 378.476 3.788 20 10 GHCDLO C[N@H+](Cc1ccccn1)Cc1cc(Br)cc(Br)c1O ZINC000757890719 929841949 /nfs/dbraw/zinc/84/19/49/929841949.db2.gz TWSSJRFAYJTXJC-UHFFFAOYSA-N 1 2 386.087 3.944 20 10 GHCDLO C[N@@H+](Cc1ccccn1)Cc1cc(Br)cc(Br)c1O ZINC000757890719 929841954 /nfs/dbraw/zinc/84/19/54/929841954.db2.gz TWSSJRFAYJTXJC-UHFFFAOYSA-N 1 2 386.087 3.944 20 10 GHCDLO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(Br)cc(F)c1O ZINC000799731474 933101544 /nfs/dbraw/zinc/10/15/44/933101544.db2.gz OBOCNFKKTNKBAT-IUODEOHRSA-N 1 2 382.273 3.938 20 10 GHCDLO COC(=O)C[N@H+](CC/C=C\c1cncc(OC)c1)Cc1cc(Cl)ccc1O ZINC000828062935 935571708 /nfs/dbraw/zinc/57/17/08/935571708.db2.gz VNCYOUPGYUPPNX-HYXAFXHYSA-N 1 2 390.867 3.528 20 10 GHCDLO COC(=O)C[N@@H+](CC/C=C\c1cncc(OC)c1)Cc1cc(Cl)ccc1O ZINC000828062935 935571711 /nfs/dbraw/zinc/57/17/11/935571711.db2.gz VNCYOUPGYUPPNX-HYXAFXHYSA-N 1 2 390.867 3.528 20 10 GHCDLO CC[NH+](CC)C[C@@H](C)Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001227505292 1032445134 /nfs/dbraw/zinc/44/51/34/1032445134.db2.gz OJMAOQXCFFUGAK-CQSZACIVSA-N 1 2 383.444 3.980 20 10 GHCDLO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277231854 1032517020 /nfs/dbraw/zinc/51/70/20/1032517020.db2.gz GKUKNKTXMJPSTE-MRXNPFEDSA-N 1 2 376.806 3.565 20 10 GHCDLO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277231854 1032517025 /nfs/dbraw/zinc/51/70/25/1032517025.db2.gz GKUKNKTXMJPSTE-MRXNPFEDSA-N 1 2 376.806 3.565 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)Cc2ncn(CC3CC3)c21 ZINC001140338349 1021445508 /nfs/dbraw/zinc/44/55/08/1021445508.db2.gz GKVCNTRAISCLHI-HNNXBMFYSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)Cc2ncn(CC3CC3)c21 ZINC001140338349 1021445517 /nfs/dbraw/zinc/44/55/17/1021445517.db2.gz GKVCNTRAISCLHI-HNNXBMFYSA-N 1 2 375.900 3.788 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Br)c(F)cc1O ZINC000834896673 1021640499 /nfs/dbraw/zinc/64/04/99/1021640499.db2.gz MLRYDPKKLMXHOC-WVQJBOLRSA-N 1 2 398.276 3.598 20 10 GHCDLO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140584505 1022008541 /nfs/dbraw/zinc/00/85/41/1022008541.db2.gz UNJKRNMLVMXCGJ-UYAOXDASSA-N 1 2 375.415 3.982 20 10 GHCDLO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140584505 1022008557 /nfs/dbraw/zinc/00/85/57/1022008557.db2.gz UNJKRNMLVMXCGJ-UYAOXDASSA-N 1 2 375.415 3.982 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCc3ncc(Br)cc3C2)c(O)c1 ZINC001140855425 1022710193 /nfs/dbraw/zinc/71/01/93/1022710193.db2.gz YMROYVINEGEVLO-UHFFFAOYSA-N 1 2 390.325 3.954 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCc3ncc(Br)cc3C2)c(O)c1 ZINC001140855425 1022710205 /nfs/dbraw/zinc/71/02/05/1022710205.db2.gz YMROYVINEGEVLO-UHFFFAOYSA-N 1 2 390.325 3.954 20 10 GHCDLO COCCOc1ncccc1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756433352 1023647078 /nfs/dbraw/zinc/64/70/78/1023647078.db2.gz XZGBWBWZDQIULE-LLVKDONJSA-N 1 2 399.260 3.565 20 10 GHCDLO C[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1cc(Br)c(F)cc1O ZINC000756456928 1023660736 /nfs/dbraw/zinc/66/07/36/1023660736.db2.gz GMKUWEKXAUXJQO-JTQLQIEISA-N 1 2 399.235 3.514 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(Br)c(F)cc1O ZINC000756456674 1023661593 /nfs/dbraw/zinc/66/15/93/1023661593.db2.gz IETFNVDFXHUGIL-JSGCOSHPSA-N 1 2 382.273 3.796 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Br)cc(Cl)c1O ZINC000756490545 1023682993 /nfs/dbraw/zinc/68/29/93/1023682993.db2.gz VXABULMHCPRTDC-BDAKNGLRSA-N 1 2 377.710 3.762 20 10 GHCDLO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000756495809 1023684859 /nfs/dbraw/zinc/68/48/59/1023684859.db2.gz BHBCBVMXGOTNIY-MWLCHTKSSA-N 1 2 395.135 3.975 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(F)c1O ZINC000756502660 1023686459 /nfs/dbraw/zinc/68/64/59/1023686459.db2.gz KIJQHQWFJSTMBU-RFAUZJTJSA-N 1 2 377.309 3.953 20 10 GHCDLO C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756529838 1023699975 /nfs/dbraw/zinc/69/99/75/1023699975.db2.gz WATIQXSSTGLTGP-SNVBAGLBSA-N 1 2 391.281 3.811 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)c(F)cc1O ZINC000756582067 1023720916 /nfs/dbraw/zinc/72/09/16/1023720916.db2.gz FMCAXODUIHTPAH-SDDRHHMPSA-N 1 2 387.293 3.591 20 10 GHCDLO C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756614658 1023739045 /nfs/dbraw/zinc/73/90/45/1023739045.db2.gz UHVVGAMWZOITGB-HNNXBMFYSA-N 1 2 384.480 3.686 20 10 GHCDLO CCOC(=O)COc1ccc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756734612 1023792847 /nfs/dbraw/zinc/79/28/47/1023792847.db2.gz XLCQZFBYGMBDIT-ZDUSSCGKSA-N 1 2 379.403 3.506 20 10 GHCDLO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000756776035 1023811378 /nfs/dbraw/zinc/81/13/78/1023811378.db2.gz UQGYZDSIFCYIFT-GXFFZTMASA-N 1 2 396.256 3.957 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000830733411 1024113695 /nfs/dbraw/zinc/11/36/95/1024113695.db2.gz JGVLSPWZQDJOHT-UYAOXDASSA-N 1 2 377.843 3.548 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000830733411 1024113710 /nfs/dbraw/zinc/11/37/10/1024113710.db2.gz JGVLSPWZQDJOHT-UYAOXDASSA-N 1 2 377.843 3.548 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000830733406 1024113818 /nfs/dbraw/zinc/11/38/18/1024113818.db2.gz JGVLSPWZQDJOHT-ICSRJNTNSA-N 1 2 377.843 3.548 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000830733406 1024113836 /nfs/dbraw/zinc/11/38/36/1024113836.db2.gz JGVLSPWZQDJOHT-ICSRJNTNSA-N 1 2 377.843 3.548 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001139128516 1025940476 /nfs/dbraw/zinc/94/04/76/1025940476.db2.gz VPPVOFZDFJUAPA-UHFFFAOYSA-N 1 2 383.419 3.990 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC001166817923 1027093975 /nfs/dbraw/zinc/09/39/75/1027093975.db2.gz KIXGCAKKFHJUAT-UHFFFAOYSA-N 1 2 377.492 3.530 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC001166817923 1027093986 /nfs/dbraw/zinc/09/39/86/1027093986.db2.gz KIXGCAKKFHJUAT-UHFFFAOYSA-N 1 2 377.492 3.530 20 10 GHCDLO CN1CCCc2cc(CNC(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)ccc21 ZINC001142469445 1028974697 /nfs/dbraw/zinc/97/46/97/1028974697.db2.gz HWPGGUTVNROAPB-PUZFROQSSA-N 1 2 378.520 3.751 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1 ZINC001461656479 1069661554 /nfs/dbraw/zinc/66/15/54/1069661554.db2.gz CUWWPUVLTQKFFL-ZDUSSCGKSA-N 1 2 394.162 3.534 20 10 GHCDLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461690247 1069680939 /nfs/dbraw/zinc/68/09/39/1069680939.db2.gz YYWGYDLLTMRHIN-NMSKTSORSA-N 1 2 393.119 3.819 20 10 GHCDLO O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O[C@H]3CCC[C@]34CC[NH2+]C4)c12 ZINC001218097806 1030770429 /nfs/dbraw/zinc/77/04/29/1030770429.db2.gz XZTTXNVVQVZNPX-WMZHIEFXSA-N 1 2 393.439 3.782 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224263049 1030947242 /nfs/dbraw/zinc/94/72/42/1030947242.db2.gz OHFFVMQVTCJSEN-FZMZJTMJSA-N 1 2 377.257 3.935 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224263049 1030947244 /nfs/dbraw/zinc/94/72/44/1030947244.db2.gz OHFFVMQVTCJSEN-FZMZJTMJSA-N 1 2 377.257 3.935 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)cc1 ZINC001206847906 1034034058 /nfs/dbraw/zinc/03/40/58/1034034058.db2.gz OFRIZZDXZUJTMO-UHFFFAOYSA-N 1 2 393.487 3.689 20 10 GHCDLO CC(C)=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277505779 1034511791 /nfs/dbraw/zinc/51/17/91/1034511791.db2.gz CIZAEPWJKSKEPD-INIZCTEOSA-N 1 2 380.891 3.869 20 10 GHCDLO CC(C)n1nc(-c2cc3cc(O)ccc3n2-c2ccc(N)cc2)c2c1nc[nH+]c2N ZINC001159266212 1034513292 /nfs/dbraw/zinc/51/32/92/1034513292.db2.gz LNBCPAFYDGKLES-UHFFFAOYSA-N 1 2 399.458 3.888 20 10 GHCDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)cc1 ZINC001160170178 1034887948 /nfs/dbraw/zinc/88/79/48/1034887948.db2.gz ARLSXGHOYDSTRN-UHFFFAOYSA-N 1 2 393.491 3.930 20 10 GHCDLO COC[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)Cc2nn(CC3CC3)cc21 ZINC001231868582 1034955513 /nfs/dbraw/zinc/95/55/13/1034955513.db2.gz UVBKCJWWBXRREQ-MRXNPFEDSA-N 1 2 375.900 3.706 20 10 GHCDLO COC[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)Cc2nn(CC3CC3)cc21 ZINC001231868582 1034955518 /nfs/dbraw/zinc/95/55/18/1034955518.db2.gz UVBKCJWWBXRREQ-MRXNPFEDSA-N 1 2 375.900 3.706 20 10 GHCDLO CN1Cc2ccccc2CC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001231911268 1034985863 /nfs/dbraw/zinc/98/58/63/1034985863.db2.gz HPXGVFYOYRIFPI-UHFFFAOYSA-N 1 2 384.907 3.843 20 10 GHCDLO O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231912346 1034986774 /nfs/dbraw/zinc/98/67/74/1034986774.db2.gz ZBHLRWZBRGCQCW-UHFFFAOYSA-N 1 2 391.924 3.630 20 10 GHCDLO CN(C)c1ccc(/C=C/C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 ZINC001461967265 1069919596 /nfs/dbraw/zinc/91/95/96/1069919596.db2.gz ICNRXXMBSHXQTP-AATRIKPKSA-N 1 2 397.950 3.806 20 10 GHCDLO FC(F)(F)CN1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC001462007747 1069941953 /nfs/dbraw/zinc/94/19/53/1069941953.db2.gz IUILNEJLQZHURR-UHFFFAOYSA-N 1 2 389.465 3.929 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@H]1COc2ccccc2O1 ZINC001462037016 1069959965 /nfs/dbraw/zinc/95/99/65/1069959965.db2.gz GCUSDRCQNDWETF-ZDUSSCGKSA-N 1 2 382.229 3.566 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C[C@H]1COc2ccccc2O1 ZINC001462037016 1069959975 /nfs/dbraw/zinc/95/99/75/1069959975.db2.gz GCUSDRCQNDWETF-ZDUSSCGKSA-N 1 2 382.229 3.566 20 10 GHCDLO Cc1cccnc1N1CCC[N@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233030797 1038781656 /nfs/dbraw/zinc/78/16/56/1038781656.db2.gz NRPUNHRFQYFMRY-UHFFFAOYSA-N 1 2 394.288 3.710 20 10 GHCDLO Cc1cccnc1N1CCC[N@@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233030797 1038781671 /nfs/dbraw/zinc/78/16/71/1038781671.db2.gz NRPUNHRFQYFMRY-UHFFFAOYSA-N 1 2 394.288 3.710 20 10 GHCDLO Cc1cccc(O[C@H]2CC[N@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233032334 1038784802 /nfs/dbraw/zinc/78/48/02/1038784802.db2.gz DOHSGCFXNGGUQB-ZDUSSCGKSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233032334 1038784817 /nfs/dbraw/zinc/78/48/17/1038784817.db2.gz DOHSGCFXNGGUQB-ZDUSSCGKSA-N 1 2 381.245 3.651 20 10 GHCDLO CSc1ncc2c(n1)C[N@@H+](Cc1cc(Br)cc(C)c1O)CC2 ZINC001233109992 1038898787 /nfs/dbraw/zinc/89/87/87/1038898787.db2.gz NJBNYUBNFHLQSG-UHFFFAOYSA-N 1 2 380.311 3.533 20 10 GHCDLO CSc1ncc2c(n1)C[N@H+](Cc1cc(Br)cc(C)c1O)CC2 ZINC001233109992 1038898813 /nfs/dbraw/zinc/89/88/13/1038898813.db2.gz NJBNYUBNFHLQSG-UHFFFAOYSA-N 1 2 380.311 3.533 20 10 GHCDLO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1F ZINC001462359979 1070198525 /nfs/dbraw/zinc/19/85/25/1070198525.db2.gz ZLCFWNUGZOBKAA-IFXJQAMLSA-N 1 2 395.494 3.862 20 10 GHCDLO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1F ZINC001462359979 1070198530 /nfs/dbraw/zinc/19/85/30/1070198530.db2.gz ZLCFWNUGZOBKAA-IFXJQAMLSA-N 1 2 395.494 3.862 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC001253677925 1039762362 /nfs/dbraw/zinc/76/23/62/1039762362.db2.gz OCOOPHUGJQOQNH-IBGZPJMESA-N 1 2 381.520 3.851 20 10 GHCDLO CC[C@H](C)N1CCC2(CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)C1=O ZINC001277833712 1039872684 /nfs/dbraw/zinc/87/26/84/1039872684.db2.gz MPYGSCOPNKRGJU-AWEZNQCLSA-N 1 2 380.916 3.667 20 10 GHCDLO CC1(C(=O)N2CCCC2)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235069459 1040560779 /nfs/dbraw/zinc/56/07/79/1040560779.db2.gz TWVRBJZDZKEQNR-UHFFFAOYSA-N 1 2 399.304 3.518 20 10 GHCDLO COc1cc(O)c(C[NH+]2CC(Oc3ccccc3C(F)(F)F)C2)cc1OC ZINC001236755680 1041874629 /nfs/dbraw/zinc/87/46/29/1041874629.db2.gz HPDOPBQYUCPXSK-UHFFFAOYSA-N 1 2 383.366 3.691 20 10 GHCDLO Cc1cccc(N2CC[NH+](Cc3cc(O)c(Br)cc3O)CC2)c1C ZINC001236763616 1041878142 /nfs/dbraw/zinc/87/81/42/1041878142.db2.gz AHJKCDRWJMGLFD-UHFFFAOYSA-N 1 2 391.309 3.799 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(O)c1Cl ZINC001236801640 1041904047 /nfs/dbraw/zinc/90/40/47/1041904047.db2.gz LENICHIAAIEECR-UONOGXRCSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(O)c1Cl ZINC001236801640 1041904052 /nfs/dbraw/zinc/90/40/52/1041904052.db2.gz LENICHIAAIEECR-UONOGXRCSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1ccc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(O)c1Cl ZINC001236801289 1041904247 /nfs/dbraw/zinc/90/42/47/1041904247.db2.gz FMRXDSUIBUDOOZ-UHFFFAOYSA-N 1 2 382.888 3.543 20 10 GHCDLO COc1ccc(C[N@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(O)c1Cl ZINC001236801289 1041904250 /nfs/dbraw/zinc/90/42/50/1041904250.db2.gz FMRXDSUIBUDOOZ-UHFFFAOYSA-N 1 2 382.888 3.543 20 10 GHCDLO CC[N@H+](Cc1ccc(OC)c(Cl)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236807884 1041908980 /nfs/dbraw/zinc/90/89/80/1041908980.db2.gz VHMZRJBYEMZBAS-CQSZACIVSA-N 1 2 384.904 3.886 20 10 GHCDLO CC[N@@H+](Cc1ccc(OC)c(Cl)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236807884 1041908982 /nfs/dbraw/zinc/90/89/82/1041908982.db2.gz VHMZRJBYEMZBAS-CQSZACIVSA-N 1 2 384.904 3.886 20 10 GHCDLO O=C(c1ccco1)N1CC[C@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3Cl)C[C@H]21 ZINC001237079560 1042025560 /nfs/dbraw/zinc/02/55/60/1042025560.db2.gz DIQCUFYUVXZSQP-SMDDNHRTSA-N 1 2 381.259 3.639 20 10 GHCDLO O=C(c1ccco1)N1CC[C@H]2C[N@H+](Cc3c(O)ccc(Cl)c3Cl)C[C@H]21 ZINC001237079560 1042025567 /nfs/dbraw/zinc/02/55/67/1042025567.db2.gz DIQCUFYUVXZSQP-SMDDNHRTSA-N 1 2 381.259 3.639 20 10 GHCDLO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237125007 1042052992 /nfs/dbraw/zinc/05/29/92/1042052992.db2.gz UVSNOFWPEHHEEW-UHFFFAOYSA-N 1 2 377.843 3.849 20 10 GHCDLO CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237125007 1042052996 /nfs/dbraw/zinc/05/29/96/1042052996.db2.gz UVSNOFWPEHHEEW-UHFFFAOYSA-N 1 2 377.843 3.849 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237135200 1042057731 /nfs/dbraw/zinc/05/77/31/1042057731.db2.gz GSAXKYXDNPZLCD-GJZGRUSLSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237135200 1042057736 /nfs/dbraw/zinc/05/77/36/1042057736.db2.gz GSAXKYXDNPZLCD-GJZGRUSLSA-N 1 2 386.414 3.995 20 10 GHCDLO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4cc(Cl)cc(F)c4O)C[C@@H]3C2=O)c1 ZINC001237618976 1042284802 /nfs/dbraw/zinc/28/48/02/1042284802.db2.gz LKZSCXGZUBBNRG-WMZOPIPTSA-N 1 2 388.870 3.584 20 10 GHCDLO Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cc(Cl)cc(F)c4O)C[C@@H]3C2=O)c1 ZINC001237618976 1042284805 /nfs/dbraw/zinc/28/48/05/1042284805.db2.gz LKZSCXGZUBBNRG-WMZOPIPTSA-N 1 2 388.870 3.584 20 10 GHCDLO Oc1c(I)cccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001237780693 1042365534 /nfs/dbraw/zinc/36/55/34/1042365534.db2.gz VRNIYAUAAASGQQ-SNVBAGLBSA-N 1 2 385.167 3.771 20 10 GHCDLO Cc1cc(C[N@H+](C)Cc2cc(Br)cc(C(F)(F)F)c2O)n(C)n1 ZINC001237780873 1042365888 /nfs/dbraw/zinc/36/58/88/1042365888.db2.gz HPADOADJBIQLDO-UHFFFAOYSA-N 1 2 392.219 3.847 20 10 GHCDLO Cc1cc(C[N@@H+](C)Cc2cc(Br)cc(C(F)(F)F)c2O)n(C)n1 ZINC001237780873 1042365894 /nfs/dbraw/zinc/36/58/94/1042365894.db2.gz HPADOADJBIQLDO-UHFFFAOYSA-N 1 2 392.219 3.847 20 10 GHCDLO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237784155 1042367748 /nfs/dbraw/zinc/36/77/48/1042367748.db2.gz RHLZHWLDNWZTLK-NXEZZACHSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237784155 1042367751 /nfs/dbraw/zinc/36/77/51/1042367751.db2.gz RHLZHWLDNWZTLK-NXEZZACHSA-N 1 2 382.220 3.766 20 10 GHCDLO Oc1c(C[N@@H+]2CCC[C@@]23CCOC3)cc(Br)cc1C(F)(F)F ZINC001237792736 1042372917 /nfs/dbraw/zinc/37/29/17/1042372917.db2.gz UYDYJQKJPGZMOI-AWEZNQCLSA-N 1 2 380.204 3.928 20 10 GHCDLO Oc1c(C[N@H+]2CCC[C@@]23CCOC3)cc(Br)cc1C(F)(F)F ZINC001237792736 1042372920 /nfs/dbraw/zinc/37/29/20/1042372920.db2.gz UYDYJQKJPGZMOI-AWEZNQCLSA-N 1 2 380.204 3.928 20 10 GHCDLO COc1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1Br ZINC001237867340 1042401543 /nfs/dbraw/zinc/40/15/43/1042401543.db2.gz GSMGNFPIGGYWJP-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO COc1cccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1Br ZINC001237867340 1042401545 /nfs/dbraw/zinc/40/15/45/1042401545.db2.gz GSMGNFPIGGYWJP-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237940454 1042430497 /nfs/dbraw/zinc/43/04/97/1042430497.db2.gz LHBJOFATBQCCQO-UHFFFAOYSA-N 1 2 377.847 3.971 20 10 GHCDLO CCO[C@]12CCC[C@@]1([NH2+]Cc1cc(Cl)cc(Br)c1O)CCO2 ZINC001462647046 1070440193 /nfs/dbraw/zinc/44/01/93/1070440193.db2.gz NSYCOLWIABBIDJ-CVEARBPZSA-N 1 2 390.705 3.974 20 10 GHCDLO Cc1cc(CC(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c(C)n1-c1ccccc1 ZINC001303306464 1047352498 /nfs/dbraw/zinc/35/24/98/1047352498.db2.gz IWMDBKYMNFBCAD-QHCPKHFHSA-N 1 2 391.490 3.949 20 10 GHCDLO Cc1cc(CC(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c(C)n1-c1ccccc1 ZINC001303306463 1047352732 /nfs/dbraw/zinc/35/27/32/1047352732.db2.gz IWMDBKYMNFBCAD-HSZRJFAPSA-N 1 2 391.490 3.949 20 10 GHCDLO COc1ccc(CN2CC[C@H]3C[N@H+](CCCC(F)(F)F)C[C@H]32)c(O)c1Cl ZINC001279665373 1047905090 /nfs/dbraw/zinc/90/50/90/1047905090.db2.gz JYXSFYPYWNJTFG-GXTWGEPZSA-N 1 2 392.849 3.903 20 10 GHCDLO COc1ccc(CN2CC[C@H]3C[N@@H+](CCCC(F)(F)F)C[C@H]32)c(O)c1Cl ZINC001279665373 1047905096 /nfs/dbraw/zinc/90/50/96/1047905096.db2.gz JYXSFYPYWNJTFG-GXTWGEPZSA-N 1 2 392.849 3.903 20 10 GHCDLO COc1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2scnc2C)c(O)c1Cl ZINC001279665658 1047905715 /nfs/dbraw/zinc/90/57/15/1047905715.db2.gz QUCDMWKSKBZQGG-GJZGRUSLSA-N 1 2 393.940 3.668 20 10 GHCDLO COc1ccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2scnc2C)c(O)c1Cl ZINC001279665658 1047905720 /nfs/dbraw/zinc/90/57/20/1047905720.db2.gz QUCDMWKSKBZQGG-GJZGRUSLSA-N 1 2 393.940 3.668 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001308264908 1049931258 /nfs/dbraw/zinc/93/12/58/1049931258.db2.gz XANRSEZYOSFJNT-QMMMGPOBSA-N 1 2 380.217 3.727 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)c1 ZINC001308823895 1050108642 /nfs/dbraw/zinc/10/86/42/1050108642.db2.gz AJMLMWYZUSNFAG-KRWDZBQOSA-N 1 2 395.341 3.734 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)c1 ZINC001308823895 1050108649 /nfs/dbraw/zinc/10/86/49/1050108649.db2.gz AJMLMWYZUSNFAG-KRWDZBQOSA-N 1 2 395.341 3.734 20 10 GHCDLO C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Br)cc(F)c1O ZINC001337795159 1058266930 /nfs/dbraw/zinc/26/69/30/1058266930.db2.gz BXHXBGBXYJBWTL-RYUDHWBXSA-N 1 2 387.293 3.593 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CCC(c4c[nH+]cn4C)CC3)cc2)CC1 ZINC001341424335 1060663573 /nfs/dbraw/zinc/66/35/73/1060663573.db2.gz WUKLWRFWRJYGKK-UHFFFAOYSA-N 1 2 395.551 3.746 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c1 ZINC001454887584 1061951721 /nfs/dbraw/zinc/95/17/21/1061951721.db2.gz YHKDEWKKFLDGGK-QHCPKHFHSA-N 1 2 387.483 3.823 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c1 ZINC001454887584 1061951722 /nfs/dbraw/zinc/95/17/22/1061951722.db2.gz YHKDEWKKFLDGGK-QHCPKHFHSA-N 1 2 387.483 3.823 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3ccc(C(=O)OC)c(Cl)c3)CC2)cc1 ZINC001459799555 1064222903 /nfs/dbraw/zinc/22/29/03/1064222903.db2.gz XNFABNDKOJFVCU-UHFFFAOYSA-N 1 2 388.895 3.848 20 10 GHCDLO CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001460661060 1069067217 /nfs/dbraw/zinc/06/72/17/1069067217.db2.gz BRXLZJCBPTXPGP-HXUWFJFHSA-N 1 2 397.519 3.552 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001471122154 1072931342 /nfs/dbraw/zinc/93/13/42/1072931342.db2.gz VIPFGWLQAZKIKI-QFIPXVFZSA-N 1 2 380.536 3.861 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001471122154 1072931346 /nfs/dbraw/zinc/93/13/46/1072931346.db2.gz VIPFGWLQAZKIKI-QFIPXVFZSA-N 1 2 380.536 3.861 20 10 GHCDLO CC(C)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)ONC(=O)OC(C)(C)C ZINC001474586530 1074472726 /nfs/dbraw/zinc/47/27/26/1074472726.db2.gz FSCOIYWDCUPULN-AWEZNQCLSA-N 1 2 376.856 3.755 20 10 GHCDLO O=c1c2ccccc2ncn1C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC001474755276 1074546883 /nfs/dbraw/zinc/54/68/83/1074546883.db2.gz IWQPLRFUISDGEG-UHFFFAOYSA-N 1 2 387.842 3.732 20 10 GHCDLO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001658372088 1126262115 /nfs/dbraw/zinc/26/21/15/1126262115.db2.gz XYCOLWPKDIATQD-KRWDZBQOSA-N 1 2 386.236 3.516 20 10 GHCDLO CN(C)c1ccc(N2C(=O)/C(=C\c3cccc4[nH+]ccn43)SC2=S)cc1 ZINC000255415266 844210401 /nfs/dbraw/zinc/21/04/01/844210401.db2.gz VSZXDBKQNRTALX-FOWTUZBSSA-N 1 2 380.498 3.806 20 10 GHCDLO CC(C)c1nnc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000892620521 837201458 /nfs/dbraw/zinc/20/14/58/837201458.db2.gz BGHZVUCHEWDQGV-KBPBESRZSA-N 1 2 378.517 3.704 20 10 GHCDLO COC(=O)/C=C\c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000782978206 838588523 /nfs/dbraw/zinc/58/85/23/838588523.db2.gz KKHDENGGWBNOJX-ALCCZGGFSA-N 1 2 398.463 3.674 20 10 GHCDLO O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000588406313 841032562 /nfs/dbraw/zinc/03/25/62/841032562.db2.gz KNRBEPVTTFUBBH-WZUFQYTHSA-N 1 2 375.428 3.950 20 10 GHCDLO CC(=O)N(C)C1CC[NH+](CC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC000728916273 843941358 /nfs/dbraw/zinc/94/13/58/843941358.db2.gz DHLXVNYOSUIMSL-UHFFFAOYSA-N 1 2 395.547 3.836 20 10 GHCDLO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000729444223 851205183 /nfs/dbraw/zinc/20/51/83/851205183.db2.gz IHNJVKONYZHYKH-CVEARBPZSA-N 1 2 389.927 3.587 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000765884495 855888092 /nfs/dbraw/zinc/88/80/92/855888092.db2.gz PDBSZKIDXCXXQT-QGZVFWFLSA-N 1 2 386.565 3.711 20 10 GHCDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000730228731 860954415 /nfs/dbraw/zinc/95/44/15/860954415.db2.gz WUDUFFIPLLZSQR-SFHVURJKSA-N 1 2 396.579 3.583 20 10 GHCDLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c(C)n1-c1cccc(Br)c1 ZINC000733884534 863228008 /nfs/dbraw/zinc/22/80/08/863228008.db2.gz GDSPJAJAGGZBHL-UHFFFAOYSA-N 1 2 399.292 3.750 20 10 GHCDLO CC[N@H+](CC(=O)OCc1ccccc1)Cc1cc(Br)ccc1O ZINC000743873227 868469711 /nfs/dbraw/zinc/46/97/11/868469711.db2.gz KONPRTGEJHWGRN-UHFFFAOYSA-N 1 2 378.266 3.720 20 10 GHCDLO CC[N@@H+](CC(=O)OCc1ccccc1)Cc1cc(Br)ccc1O ZINC000743873227 868469716 /nfs/dbraw/zinc/46/97/16/868469716.db2.gz KONPRTGEJHWGRN-UHFFFAOYSA-N 1 2 378.266 3.720 20 10 GHCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746319520 870279010 /nfs/dbraw/zinc/27/90/10/870279010.db2.gz BFZLIWGWNWBUCV-UHFFFAOYSA-N 1 2 381.492 3.957 20 10 GHCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746319520 870279020 /nfs/dbraw/zinc/27/90/20/870279020.db2.gz BFZLIWGWNWBUCV-UHFFFAOYSA-N 1 2 381.492 3.957 20 10 GHCDLO CN(C)c1ccc(-c2nc(C(=O)NCc3c[nH+]cn3C3CCC3)cs2)cc1 ZINC001193179401 870954608 /nfs/dbraw/zinc/95/46/08/870954608.db2.gz RAOPRMDEXLSRSZ-UHFFFAOYSA-N 1 2 381.505 3.728 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000775645312 872256696 /nfs/dbraw/zinc/25/66/96/872256696.db2.gz JLPULFKPMJPEKU-CYBMUJFWSA-N 1 2 378.879 3.882 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000775645312 872256710 /nfs/dbraw/zinc/25/67/10/872256710.db2.gz JLPULFKPMJPEKU-CYBMUJFWSA-N 1 2 378.879 3.882 20 10 GHCDLO C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)c(F)cc1O ZINC000857875582 882605355 /nfs/dbraw/zinc/60/53/55/882605355.db2.gz ULBJHERAQIVHBJ-QGHHPUGFSA-N 1 2 393.256 3.658 20 10 GHCDLO Cc1cc(CCNC(=O)N(C)CCCn2cc[nH+]c2)c(C)n1-c1ccccc1 ZINC000769016455 873778130 /nfs/dbraw/zinc/77/81/30/873778130.db2.gz LFURZBCEOXQYHA-UHFFFAOYSA-N 1 2 379.508 3.565 20 10 GHCDLO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000769191979 873844606 /nfs/dbraw/zinc/84/46/06/873844606.db2.gz NQHRLANTDQTNHB-GASCZTMLSA-N 1 2 386.367 3.689 20 10 GHCDLO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000769191979 873844620 /nfs/dbraw/zinc/84/46/20/873844620.db2.gz NQHRLANTDQTNHB-GASCZTMLSA-N 1 2 386.367 3.689 20 10 GHCDLO C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(Br)c(F)cc1O ZINC000528017203 873918230 /nfs/dbraw/zinc/91/82/30/873918230.db2.gz WVPNXKFWAVKNGX-LLVKDONJSA-N 1 2 387.293 3.593 20 10 GHCDLO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCCN1c1ccc(OC(F)F)cc1 ZINC000776174516 875691952 /nfs/dbraw/zinc/69/19/52/875691952.db2.gz CWJNLWBTVRXTPT-INIZCTEOSA-N 1 2 396.821 3.932 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001202475311 876439516 /nfs/dbraw/zinc/43/95/16/876439516.db2.gz SVAZYCLQKCMKKR-UHFFFAOYSA-N 1 2 379.151 3.997 20 10 GHCDLO C[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)cc(F)c1O ZINC000850500307 876973938 /nfs/dbraw/zinc/97/39/38/876973938.db2.gz FSVGWMAYCYPFSH-BMIGLBTASA-N 1 2 393.256 3.532 20 10 GHCDLO COc1cc(C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)c(O)cc1C ZINC000788381170 878044428 /nfs/dbraw/zinc/04/44/28/878044428.db2.gz FXTWCUCAGUKJAB-UHFFFAOYSA-N 1 2 396.512 3.882 20 10 GHCDLO COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O)[C@H]1CCCO1 ZINC000788618302 878213828 /nfs/dbraw/zinc/21/38/28/878213828.db2.gz ADQZDMZMVLKLNS-QCZZGDTMSA-N 1 2 378.694 3.653 20 10 GHCDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 ZINC000789726392 879233510 /nfs/dbraw/zinc/23/35/10/879233510.db2.gz GNPDMQQLMZZNRS-UHFFFAOYSA-N 1 2 391.493 3.812 20 10 GHCDLO COc1ccccc1[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC001183363893 912439161 /nfs/dbraw/zinc/43/91/61/912439161.db2.gz OIORZCAEMWIMKL-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1ccccc1[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC001183363893 912439168 /nfs/dbraw/zinc/43/91/68/912439168.db2.gz OIORZCAEMWIMKL-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c1 ZINC000776726230 879713793 /nfs/dbraw/zinc/71/37/93/879713793.db2.gz HUBHKLCHSDINTO-YVLHZVERSA-N 1 2 399.497 3.763 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000858933691 883473809 /nfs/dbraw/zinc/47/38/09/883473809.db2.gz RFDGXVFXHOBVGX-UHFFFAOYSA-N 1 2 376.460 3.580 20 10 GHCDLO COCc1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cs1 ZINC000810253668 888356692 /nfs/dbraw/zinc/35/66/92/888356692.db2.gz ZTCFJWYLGFEXAH-ZDUSSCGKSA-N 1 2 381.929 3.630 20 10 GHCDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1Cl ZINC000763400586 889223475 /nfs/dbraw/zinc/22/34/75/889223475.db2.gz YFFHWLFOCSULMZ-UHFFFAOYSA-N 1 2 378.252 3.531 20 10 GHCDLO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878325610 894196160 /nfs/dbraw/zinc/19/61/60/894196160.db2.gz LEMDFLKXPKUJFU-MRXNPFEDSA-N 1 2 391.471 3.724 20 10 GHCDLO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878325610 894196167 /nfs/dbraw/zinc/19/61/67/894196167.db2.gz LEMDFLKXPKUJFU-MRXNPFEDSA-N 1 2 391.471 3.724 20 10 GHCDLO O=S(=O)(CCC[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Cl)cc1 ZINC000816668078 895028592 /nfs/dbraw/zinc/02/85/92/895028592.db2.gz FCCNJTIILMSFIE-UHFFFAOYSA-N 1 2 392.279 3.792 20 10 GHCDLO CC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1nnc2n1CCCCC2 ZINC000882959653 897148135 /nfs/dbraw/zinc/14/81/35/897148135.db2.gz MJQLQYRCPIJQFS-AWEZNQCLSA-N 1 2 397.292 3.853 20 10 GHCDLO COc1ccc(N2CCC[N@H+](CC(=O)Nc3c(C)cccc3Cl)CC2)cc1 ZINC000130599879 897149770 /nfs/dbraw/zinc/14/97/70/897149770.db2.gz OQDRRGOZLOWRTO-UHFFFAOYSA-N 1 2 387.911 3.808 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3c(C)cccc3Cl)CC2)cc1 ZINC000130599879 897149776 /nfs/dbraw/zinc/14/97/76/897149776.db2.gz OQDRRGOZLOWRTO-UHFFFAOYSA-N 1 2 387.911 3.808 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000882996564 897185290 /nfs/dbraw/zinc/18/52/90/897185290.db2.gz WZXJYFANHIPGKU-UHFFFAOYSA-N 1 2 382.229 3.629 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1sc2nc(C)nc(C)c2c1C)Cc1ccccc1O ZINC000822511979 898444347 /nfs/dbraw/zinc/44/43/47/898444347.db2.gz QBCSJLQGDWXHCW-UHFFFAOYSA-N 1 2 399.516 3.887 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1sc2nc(C)nc(C)c2c1C)Cc1ccccc1O ZINC000822511979 898444351 /nfs/dbraw/zinc/44/43/51/898444351.db2.gz QBCSJLQGDWXHCW-UHFFFAOYSA-N 1 2 399.516 3.887 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC000844402462 900800347 /nfs/dbraw/zinc/80/03/47/900800347.db2.gz YDRNIYPZENRSIX-UHFFFAOYSA-N 1 2 392.459 3.658 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC000844402462 900800355 /nfs/dbraw/zinc/80/03/55/900800355.db2.gz YDRNIYPZENRSIX-UHFFFAOYSA-N 1 2 392.459 3.658 20 10 GHCDLO CCOCc1nc([C@H](C)[NH2+][C@H](CC)c2cc(Br)ccc2O)no1 ZINC000290155756 914550005 /nfs/dbraw/zinc/55/00/05/914550005.db2.gz LOUXWODSFFQYAA-GXFFZTMASA-N 1 2 384.274 3.876 20 10 GHCDLO Oc1cc(F)c(Br)cc1CN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001144306566 901685276 /nfs/dbraw/zinc/68/52/76/901685276.db2.gz HGDBRJKZGAUWJA-UHFFFAOYSA-N 1 2 391.284 3.754 20 10 GHCDLO CCC(=O)N(CC)C1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144308491 901700362 /nfs/dbraw/zinc/70/03/62/901700362.db2.gz ZHRBTLVSUDTZFC-UHFFFAOYSA-N 1 2 387.293 3.517 20 10 GHCDLO COc1c(O)c(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)ccc1[N+](=O)[O-] ZINC000775031199 914635677 /nfs/dbraw/zinc/63/56/77/914635677.db2.gz ZFEMQXSGXGOCQH-NSHDSACASA-N 1 2 385.203 3.839 20 10 GHCDLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000773136095 904466239 /nfs/dbraw/zinc/46/62/39/904466239.db2.gz FRAUTRGONZXXJN-KGLIPLIRSA-N 1 2 377.920 3.830 20 10 GHCDLO COc1cccc(N2CC[NH+](Cc3cc(C)cc(Br)c3O)CC2)c1 ZINC001180523311 910199655 /nfs/dbraw/zinc/19/96/55/910199655.db2.gz SGMBHMUESVEHJR-UHFFFAOYSA-N 1 2 391.309 3.794 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001180540989 910228416 /nfs/dbraw/zinc/22/84/16/910228416.db2.gz YCOLOWUQPKRIPH-UHFFFAOYSA-N 1 2 379.287 3.965 20 10 GHCDLO CCOC1CC([N@H+](C)Cc2cc(Br)cc(Br)c2O)C1 ZINC001182114943 911181518 /nfs/dbraw/zinc/18/15/18/911181518.db2.gz CWKCWOQWZFHSAZ-UHFFFAOYSA-N 1 2 393.119 3.917 20 10 GHCDLO CCOC1CC([N@@H+](C)Cc2cc(Br)cc(Br)c2O)C1 ZINC001182114943 911181524 /nfs/dbraw/zinc/18/15/24/911181524.db2.gz CWKCWOQWZFHSAZ-UHFFFAOYSA-N 1 2 393.119 3.917 20 10 GHCDLO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl ZINC001182157051 911214236 /nfs/dbraw/zinc/21/42/36/911214236.db2.gz FYVGEWZHJSCFHL-INIZCTEOSA-N 1 2 397.302 3.756 20 10 GHCDLO Cc1ccccc1-c1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000775261075 916674271 /nfs/dbraw/zinc/67/42/71/916674271.db2.gz SINIXUPAUQUFAF-QGZVFWFLSA-N 1 2 378.476 3.732 20 10 GHCDLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3ncc(Cl)s3)CC2)c1 ZINC001189832409 916955019 /nfs/dbraw/zinc/95/50/19/916955019.db2.gz MOIKHJQOJFJXJF-UHFFFAOYSA-N 1 2 381.954 3.541 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CC[C@@](F)(c3cc(C)cc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000800536158 920251117 /nfs/dbraw/zinc/25/11/17/920251117.db2.gz NHXLATQOZOGLPH-IBGZPJMESA-N 1 2 378.375 3.827 20 10 GHCDLO COc1c(O)c(C[N@H+]2CC[C@@](F)(c3cc(C)cc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000800536158 920251120 /nfs/dbraw/zinc/25/11/20/920251120.db2.gz NHXLATQOZOGLPH-IBGZPJMESA-N 1 2 378.375 3.827 20 10 GHCDLO O=C(NCC[NH+]1Cc2ccccc2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000726248540 926609652 /nfs/dbraw/zinc/60/96/52/926609652.db2.gz RFPMHDNQZIDJJU-UHFFFAOYSA-N 1 2 391.471 3.713 20 10 GHCDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(N(C)C)cc2)c(C)c1 ZINC000749840576 927306421 /nfs/dbraw/zinc/30/64/21/927306421.db2.gz CCNSUWXEXXEYJJ-JOCHJYFZSA-N 1 2 391.519 3.807 20 10 GHCDLO O=C(NCc1nc(C[NH2+]Cc2c(O)cccc2Cl)cs1)c1ccccc1 ZINC000749926324 927352841 /nfs/dbraw/zinc/35/28/41/927352841.db2.gz OSAZUJUFQVJYNA-UHFFFAOYSA-N 1 2 387.892 3.722 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000750036183 927399648 /nfs/dbraw/zinc/39/96/48/927399648.db2.gz MJGJLOCCOZFIFU-UHFFFAOYSA-N 1 2 386.879 3.772 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000750036183 927399658 /nfs/dbraw/zinc/39/96/58/927399658.db2.gz MJGJLOCCOZFIFU-UHFFFAOYSA-N 1 2 386.879 3.772 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1F ZINC000753857022 929565909 /nfs/dbraw/zinc/56/59/09/929565909.db2.gz IIOATQDKVNJGCG-SFHVURJKSA-N 1 2 399.510 3.909 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(Br)cc(F)c1O ZINC000757661380 929762967 /nfs/dbraw/zinc/76/29/67/929762967.db2.gz BKYKJFWHFNBODB-WFASDCNBSA-N 1 2 382.273 3.938 20 10 GHCDLO Cc1ccc([C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000798088782 932525590 /nfs/dbraw/zinc/52/55/90/932525590.db2.gz VHFRHKMGZBQGCR-KZULUSFZSA-N 1 2 385.888 3.757 20 10 GHCDLO Cc1ccncc1N1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000798961858 932842471 /nfs/dbraw/zinc/84/24/71/932842471.db2.gz GESKAUQTOGQYSS-UHFFFAOYSA-N 1 2 395.507 3.611 20 10 GHCDLO Cc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001137752656 935771414 /nfs/dbraw/zinc/77/14/14/935771414.db2.gz CTVXOMBJLBXGBF-UHFFFAOYSA-N 1 2 388.821 3.603 20 10 GHCDLO Oc1cccc(F)c1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC001137837357 935816651 /nfs/dbraw/zinc/81/66/51/935816651.db2.gz CPHYNVNRHCOXBW-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2ncn(C)c21 ZINC001137856194 935827836 /nfs/dbraw/zinc/82/78/36/935827836.db2.gz TYEMDSONSIQAPJ-FQEVSTJZSA-N 1 2 378.520 3.964 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2ncn(C)c21 ZINC001137856194 935827840 /nfs/dbraw/zinc/82/78/40/935827840.db2.gz TYEMDSONSIQAPJ-FQEVSTJZSA-N 1 2 378.520 3.964 20 10 GHCDLO O=C1C[C@]2(CN1CCC(F)(F)F)CCCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277231585 1032515931 /nfs/dbraw/zinc/51/59/31/1032515931.db2.gz DBPZGZRCXTYVKS-KRWDZBQOSA-N 1 2 390.833 3.955 20 10 GHCDLO O=C1C[C@]2(CN1CCC(F)(F)F)CCCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277231585 1032515940 /nfs/dbraw/zinc/51/59/40/1032515940.db2.gz DBPZGZRCXTYVKS-KRWDZBQOSA-N 1 2 390.833 3.955 20 10 GHCDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(O)c1OC ZINC001204533183 1032954502 /nfs/dbraw/zinc/95/45/02/1032954502.db2.gz CRHBPHAOQTUCSQ-QGZVFWFLSA-N 1 2 381.831 3.775 20 10 GHCDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(O)c1OC ZINC001204533183 1032954504 /nfs/dbraw/zinc/95/45/04/1032954504.db2.gz CRHBPHAOQTUCSQ-QGZVFWFLSA-N 1 2 381.831 3.775 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)Cc2c1cnn2CC1CC1 ZINC001140339527 1021447337 /nfs/dbraw/zinc/44/73/37/1021447337.db2.gz WDNYMSGGPLSLMW-HNNXBMFYSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)Cc2c1cnn2CC1CC1 ZINC001140339527 1021447342 /nfs/dbraw/zinc/44/73/42/1021447342.db2.gz WDNYMSGGPLSLMW-HNNXBMFYSA-N 1 2 375.900 3.788 20 10 GHCDLO O=C1OC2(CC[NH+](Cc3c(O)cc(F)cc3F)CC2)c2ccc(Cl)cc21 ZINC001140584053 1022007398 /nfs/dbraw/zinc/00/73/98/1022007398.db2.gz DXPGFOPYGIQHRA-UHFFFAOYSA-N 1 2 379.790 3.986 20 10 GHCDLO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001141050335 1023390115 /nfs/dbraw/zinc/39/01/15/1023390115.db2.gz KETUSTNRAKCSLF-NRFANRHFSA-N 1 2 395.547 3.648 20 10 GHCDLO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756078279 1023512979 /nfs/dbraw/zinc/51/29/79/1023512979.db2.gz KVYQKOKEJSOKNO-UWVGGRQHSA-N 1 2 391.281 3.858 20 10 GHCDLO CSCC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1nnc2ccccn21 ZINC000756364960 1023607899 /nfs/dbraw/zinc/60/78/99/1023607899.db2.gz MFGBZXYEGGXICO-NHYWBVRUSA-N 1 2 378.448 3.858 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(Br)c(F)cc1O ZINC000756456679 1023661497 /nfs/dbraw/zinc/66/14/97/1023661497.db2.gz IETFNVDFXHUGIL-OCCSQVGLSA-N 1 2 382.273 3.796 20 10 GHCDLO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(F)cc(F)c1O ZINC000756460439 1023663889 /nfs/dbraw/zinc/66/38/89/1023663889.db2.gz PPUNUDMFMVJOED-CYBMUJFWSA-N 1 2 391.414 3.798 20 10 GHCDLO C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(Br)c(F)cc1O ZINC000756768685 1023808123 /nfs/dbraw/zinc/80/81/23/1023808123.db2.gz GCMXIFDEKFRXIQ-SNVBAGLBSA-N 1 2 380.261 3.855 20 10 GHCDLO COc1c(C)c[nH+]c(CN(C)Cc2ccc(N3CCC(OC)CC3)cc2)c1C ZINC000831048834 1024328960 /nfs/dbraw/zinc/32/89/60/1024328960.db2.gz POTPTZMQNURAIO-UHFFFAOYSA-N 1 2 383.536 3.954 20 10 GHCDLO CCc1ncnc2c1CC[N@H+](Cc1cc(Cl)cc(Br)c1O)CC2 ZINC001141369765 1024747126 /nfs/dbraw/zinc/74/71/26/1024747126.db2.gz XZQDVSVOMZFDGC-UHFFFAOYSA-N 1 2 396.716 3.761 20 10 GHCDLO CCc1ncnc2c1CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)CC2 ZINC001141369765 1024747140 /nfs/dbraw/zinc/74/71/40/1024747140.db2.gz XZQDVSVOMZFDGC-UHFFFAOYSA-N 1 2 396.716 3.761 20 10 GHCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)c(OC)c1 ZINC001138388810 1024764828 /nfs/dbraw/zinc/76/48/28/1024764828.db2.gz FFDCIXHNVXJDJI-UHFFFAOYSA-N 1 2 395.547 3.808 20 10 GHCDLO CCOC(=O)c1noc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000838906575 1025433753 /nfs/dbraw/zinc/43/37/53/1025433753.db2.gz KUKFFARHNVXABJ-HNNXBMFYSA-N 1 2 381.432 3.715 20 10 GHCDLO CCOC(=O)c1noc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000838906575 1025433758 /nfs/dbraw/zinc/43/37/58/1025433758.db2.gz KUKFFARHNVXABJ-HNNXBMFYSA-N 1 2 381.432 3.715 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(CC(=O)c3ccccc32)CC1 ZINC001139133229 1025945064 /nfs/dbraw/zinc/94/50/64/1025945064.db2.gz FZQIKNJUXUHWTI-UHFFFAOYSA-N 1 2 389.451 3.927 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCCO1 ZINC001461124947 1069403459 /nfs/dbraw/zinc/40/34/59/1069403459.db2.gz DDOFBQCJEJZFHN-LLVKDONJSA-N 1 2 379.092 3.576 20 10 GHCDLO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001141763448 1027155342 /nfs/dbraw/zinc/15/53/42/1027155342.db2.gz QGBMKZWWLABPDV-NRFANRHFSA-N 1 2 395.547 3.648 20 10 GHCDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@H]1O ZINC001203562277 1027434105 /nfs/dbraw/zinc/43/41/05/1027434105.db2.gz GRDBULBIDKIJAE-NOZJJQNGSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@H]1O ZINC001203562277 1027434088 /nfs/dbraw/zinc/43/40/88/1027434088.db2.gz GRDBULBIDKIJAE-NOZJJQNGSA-N 1 2 393.119 3.510 20 10 GHCDLO Oc1c(Cl)cc(Cl)cc1CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001203575482 1027444886 /nfs/dbraw/zinc/44/48/86/1027444886.db2.gz OSYYBHDJFKXBCD-UHFFFAOYSA-N 1 2 381.307 3.507 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001203634018 1027492545 /nfs/dbraw/zinc/49/25/45/1027492545.db2.gz NNAGANMEEHFCOW-CMPLNLGQSA-N 1 2 386.183 3.883 20 10 GHCDLO Cc1nc(CN2CC[N@H+](Cc3ccc(O)c(O)c3)Cc3ccc(C)nc32)cs1 ZINC001203878369 1027676090 /nfs/dbraw/zinc/67/60/90/1027676090.db2.gz SGARWLZFZTXGTD-UHFFFAOYSA-N 1 2 396.516 3.589 20 10 GHCDLO Cc1nc(CN2CC[N@@H+](Cc3ccc(O)c(O)c3)Cc3ccc(C)nc32)cs1 ZINC001203878369 1027676095 /nfs/dbraw/zinc/67/60/95/1027676095.db2.gz SGARWLZFZTXGTD-UHFFFAOYSA-N 1 2 396.516 3.589 20 10 GHCDLO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000840808191 1027847722 /nfs/dbraw/zinc/84/77/22/1027847722.db2.gz HOHNRIWCVMDCRB-DGCLKSJQSA-N 1 2 398.272 3.729 20 10 GHCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CS1 ZINC000840957457 1027986756 /nfs/dbraw/zinc/98/67/56/1027986756.db2.gz BTBHSTQGUVHABG-GMSGAONNSA-N 1 2 381.133 3.901 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001142512821 1029017667 /nfs/dbraw/zinc/01/76/67/1029017667.db2.gz MMKKPSMZZFQUKZ-JBBXEZCESA-N 1 2 378.444 3.966 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001142512821 1029017671 /nfs/dbraw/zinc/01/76/71/1029017671.db2.gz MMKKPSMZZFQUKZ-JBBXEZCESA-N 1 2 378.444 3.966 20 10 GHCDLO CC1(C)C[C@@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)CC[NH2+]1 ZINC001218472529 1030952331 /nfs/dbraw/zinc/95/23/31/1030952331.db2.gz RCSPFJYMPCBIPX-AWEZNQCLSA-N 1 2 381.428 3.781 20 10 GHCDLO O=C(NC1CCCC1)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277388611 1033488431 /nfs/dbraw/zinc/48/84/31/1033488431.db2.gz XOTDYDLJMZUJGY-MRXNPFEDSA-N 1 2 380.891 3.846 20 10 GHCDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(-n2c(C)ccc2C)nc1 ZINC001206510532 1033882540 /nfs/dbraw/zinc/88/25/40/1033882540.db2.gz QNBNVGOYHMBCNZ-UHFFFAOYSA-N 1 2 377.488 3.997 20 10 GHCDLO C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231566894 1034717319 /nfs/dbraw/zinc/71/73/19/1034717319.db2.gz SISSLUHATBQZDN-UHFFFAOYSA-N 1 2 388.895 3.840 20 10 GHCDLO C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231566894 1034717337 /nfs/dbraw/zinc/71/73/37/1034717337.db2.gz SISSLUHATBQZDN-UHFFFAOYSA-N 1 2 388.895 3.840 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1Cl ZINC001232267859 1037989768 /nfs/dbraw/zinc/98/97/68/1037989768.db2.gz JQUCTMYVOPQWOX-OLZOCXBDSA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(O)c(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1Cl ZINC001232267859 1037989777 /nfs/dbraw/zinc/98/97/77/1037989777.db2.gz JQUCTMYVOPQWOX-OLZOCXBDSA-N 1 2 384.904 3.884 20 10 GHCDLO Oc1c(F)c(F)ccc1C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC001233075994 1038838528 /nfs/dbraw/zinc/83/85/28/1038838528.db2.gz HWXFBMGARSJLLH-UHFFFAOYSA-N 1 2 383.236 3.755 20 10 GHCDLO CO[C@@H](C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1)c1ccccc1 ZINC001233454738 1039343953 /nfs/dbraw/zinc/34/39/53/1039343953.db2.gz IRJXMVDETMOZRB-FQEVSTJZSA-N 1 2 394.437 3.916 20 10 GHCDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829711 1039807195 /nfs/dbraw/zinc/80/71/95/1039807195.db2.gz ITGXGDLCAZPHFF-BUXKBTBVSA-N 1 2 399.318 3.634 20 10 GHCDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829711 1039807214 /nfs/dbraw/zinc/80/72/14/1039807214.db2.gz ITGXGDLCAZPHFF-BUXKBTBVSA-N 1 2 399.318 3.634 20 10 GHCDLO CCOC(=O)CCC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235063993 1040552639 /nfs/dbraw/zinc/55/26/39/1040552639.db2.gz CONFSYQLLSCJAB-UHFFFAOYSA-N 1 2 388.277 3.849 20 10 GHCDLO CC(C)N1CCC2(CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)C1=O ZINC001235075519 1040564268 /nfs/dbraw/zinc/56/42/68/1040564268.db2.gz MKTQCXULGVTOFO-UHFFFAOYSA-N 1 2 399.304 3.517 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001235293812 1040766946 /nfs/dbraw/zinc/76/69/46/1040766946.db2.gz CCOJABDLMFWURC-UHFFFAOYSA-N 1 2 398.251 3.540 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001235293812 1040766964 /nfs/dbraw/zinc/76/69/64/1040766964.db2.gz CCOJABDLMFWURC-UHFFFAOYSA-N 1 2 398.251 3.540 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc(F)cc(Br)c2O)[C@@H](c2ccccc2)C1 ZINC001235297638 1040767978 /nfs/dbraw/zinc/76/79/78/1040767978.db2.gz OTSFGHMIILXIAA-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(F)cc(Br)c2O)[C@@H](c2ccccc2)C1 ZINC001235297638 1040767994 /nfs/dbraw/zinc/76/79/94/1040767994.db2.gz OTSFGHMIILXIAA-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(F)cc(Br)c2O)C[C@@H]1c1ccccc1 ZINC001235302658 1040776571 /nfs/dbraw/zinc/77/65/71/1040776571.db2.gz SFHJPMJBHFGRCX-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3cccn3C(=O)OC(C)(C)C)CC2)cc1 ZINC001235637272 1041072060 /nfs/dbraw/zinc/07/20/60/1041072060.db2.gz PTBWBOHOGJBTSS-UHFFFAOYSA-N 1 2 385.508 3.992 20 10 GHCDLO COc1cccc(Br)c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001236675660 1041822095 /nfs/dbraw/zinc/82/20/95/1041822095.db2.gz GGHPLMBVYWWIBA-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO COc1cccc(Br)c1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001236675660 1041822097 /nfs/dbraw/zinc/82/20/97/1041822097.db2.gz GGHPLMBVYWWIBA-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001236791989 1041896714 /nfs/dbraw/zinc/89/67/14/1041896714.db2.gz DGKKARCXKNNEMS-UHFFFAOYSA-N 1 2 392.290 3.546 20 10 GHCDLO COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c([O-])c1Cl ZINC001236801815 1041903810 /nfs/dbraw/zinc/90/38/10/1041903810.db2.gz MGMPLGOCTKXBNA-OALUTQOASA-N 1 2 386.923 3.926 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236803513 1041905961 /nfs/dbraw/zinc/90/59/61/1041905961.db2.gz VADPOIFBMYCCIJ-AWEZNQCLSA-N 1 2 384.904 3.933 20 10 GHCDLO COc1ccc(C[N@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236803513 1041905964 /nfs/dbraw/zinc/90/59/64/1041905964.db2.gz VADPOIFBMYCCIJ-AWEZNQCLSA-N 1 2 384.904 3.933 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)c(C)c1 ZINC001236808688 1041909592 /nfs/dbraw/zinc/90/95/92/1041909592.db2.gz IGUAMWXMFGLPSR-UHFFFAOYSA-N 1 2 376.884 3.693 20 10 GHCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236831341 1041921359 /nfs/dbraw/zinc/92/13/59/1041921359.db2.gz VOZGOHMFFMHNNE-OAQYLSRUSA-N 1 2 392.503 3.558 20 10 GHCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236831341 1041921362 /nfs/dbraw/zinc/92/13/62/1041921362.db2.gz VOZGOHMFFMHNNE-OAQYLSRUSA-N 1 2 392.503 3.558 20 10 GHCDLO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237125913 1042054290 /nfs/dbraw/zinc/05/42/90/1042054290.db2.gz SGXHIXLVTOYGES-HNNXBMFYSA-N 1 2 380.366 3.894 20 10 GHCDLO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237125913 1042054296 /nfs/dbraw/zinc/05/42/96/1042054296.db2.gz SGXHIXLVTOYGES-HNNXBMFYSA-N 1 2 380.366 3.894 20 10 GHCDLO CN(C(=O)c1ccccc1)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237624696 1042291030 /nfs/dbraw/zinc/29/10/30/1042291030.db2.gz ZAPHQOQTBAORRK-UHFFFAOYSA-N 1 2 376.859 3.921 20 10 GHCDLO COc1cccc(CC[N@H+](C)Cc2cccc(I)c2O)c1 ZINC001237780615 1042365904 /nfs/dbraw/zinc/36/59/04/1042365904.db2.gz PYLLCLIYIPLMNO-UHFFFAOYSA-N 1 2 397.256 3.680 20 10 GHCDLO COc1cccc(CC[N@@H+](C)Cc2cccc(I)c2O)c1 ZINC001237780615 1042365910 /nfs/dbraw/zinc/36/59/10/1042365910.db2.gz PYLLCLIYIPLMNO-UHFFFAOYSA-N 1 2 397.256 3.680 20 10 GHCDLO C[C@@]1(O)CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001237784144 1042366992 /nfs/dbraw/zinc/36/69/92/1042366992.db2.gz QSSDRFJURNYNJR-CQSZACIVSA-N 1 2 382.220 3.910 20 10 GHCDLO C[C@@]1(O)CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001237784144 1042366996 /nfs/dbraw/zinc/36/69/96/1042366996.db2.gz QSSDRFJURNYNJR-CQSZACIVSA-N 1 2 382.220 3.910 20 10 GHCDLO COc1ccccc1C(=O)NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237801273 1042377204 /nfs/dbraw/zinc/37/72/04/1042377204.db2.gz GVDGWPGVFBPNRE-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO Cc1cc(F)cc(C[NH+]2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1O ZINC001238068456 1042480439 /nfs/dbraw/zinc/48/04/39/1042480439.db2.gz ZBKFVVCEPSLSDA-UHFFFAOYSA-N 1 2 388.458 3.760 20 10 GHCDLO Oc1cccc(Br)c1CN1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001279219504 1047743722 /nfs/dbraw/zinc/74/37/22/1047743722.db2.gz DSTSFUFFBUNJSQ-UHFFFAOYSA-N 1 2 393.247 3.757 20 10 GHCDLO Oc1cccc(Br)c1CN1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001279219504 1047743724 /nfs/dbraw/zinc/74/37/24/1047743724.db2.gz DSTSFUFFBUNJSQ-UHFFFAOYSA-N 1 2 393.247 3.757 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC001308532709 1050000925 /nfs/dbraw/zinc/00/09/25/1050000925.db2.gz FEOQHHHLWYOTJR-UHFFFAOYSA-N 1 2 394.240 3.844 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC001318245267 1054522348 /nfs/dbraw/zinc/52/23/48/1054522348.db2.gz SIRWJYROEGMXNX-UHFFFAOYSA-N 1 2 389.927 3.588 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC001318245267 1054522364 /nfs/dbraw/zinc/52/23/64/1054522364.db2.gz SIRWJYROEGMXNX-UHFFFAOYSA-N 1 2 389.927 3.588 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC001473968355 1074221425 /nfs/dbraw/zinc/22/14/25/1074221425.db2.gz SJKDSMBSRILUHJ-UHFFFAOYSA-N 1 2 376.229 3.769 20 10 GHCDLO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001474226336 1074300300 /nfs/dbraw/zinc/30/03/00/1074300300.db2.gz BTWCHWOHMRYVEL-QGZVFWFLSA-N 1 2 386.236 3.516 20 10 GHCDLO CC[C@@H](C[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1)NC(=O)OC(C)(C)C ZINC001209471027 836619821 /nfs/dbraw/zinc/61/98/21/836619821.db2.gz ZVOAWRHXGLPRLP-HNNXBMFYSA-N 1 2 387.524 3.848 20 10 GHCDLO CC[C@@H](C[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1)NC(=O)OC(C)(C)C ZINC001209471027 836619831 /nfs/dbraw/zinc/61/98/31/836619831.db2.gz ZVOAWRHXGLPRLP-HNNXBMFYSA-N 1 2 387.524 3.848 20 10 GHCDLO O=C(CC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1)N1CCCC1 ZINC000893966038 844293012 /nfs/dbraw/zinc/29/30/12/844293012.db2.gz FBTZYBRHBDALCO-UHFFFAOYSA-N 1 2 399.304 3.518 20 10 GHCDLO CCN(C)c1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000933322531 841756678 /nfs/dbraw/zinc/75/66/78/841756678.db2.gz SPTMGHUCTQDMKV-UHFFFAOYSA-N 1 2 375.314 3.864 20 10 GHCDLO CCN(CC)c1ccc(CNc2nc(NCCO)c3ccccc3[nH+]2)cc1F ZINC000731352428 861583240 /nfs/dbraw/zinc/58/32/40/861583240.db2.gz XQNBKANGWIIHJF-UHFFFAOYSA-N 1 2 383.471 3.631 20 10 GHCDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)cs1 ZINC000271754643 846911053 /nfs/dbraw/zinc/91/10/53/846911053.db2.gz CKUXRKPWVBBUHI-AWEZNQCLSA-N 1 2 395.956 3.917 20 10 GHCDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)cs1 ZINC000271754643 846911057 /nfs/dbraw/zinc/91/10/57/846911057.db2.gz CKUXRKPWVBBUHI-AWEZNQCLSA-N 1 2 395.956 3.917 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000715713099 856676794 /nfs/dbraw/zinc/67/67/94/856676794.db2.gz NYXOBYHKOVDHAF-UHFFFAOYSA-N 1 2 390.256 3.828 20 10 GHCDLO O=S(=O)(CCC[N@H+](Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000171922807 862990174 /nfs/dbraw/zinc/99/01/74/862990174.db2.gz PYDQKJJMYFNVEY-UHFFFAOYSA-N 1 2 385.485 3.851 20 10 GHCDLO O=S(=O)(CCC[N@@H+](Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000171922807 862990184 /nfs/dbraw/zinc/99/01/84/862990184.db2.gz PYDQKJJMYFNVEY-UHFFFAOYSA-N 1 2 385.485 3.851 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843421355 858805629 /nfs/dbraw/zinc/80/56/29/858805629.db2.gz XTCJNBUSLCRRJL-RNCFNFMXSA-N 1 2 391.103 3.528 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843421355 858805631 /nfs/dbraw/zinc/80/56/31/858805631.db2.gz XTCJNBUSLCRRJL-RNCFNFMXSA-N 1 2 391.103 3.528 20 10 GHCDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000172985442 860198090 /nfs/dbraw/zinc/19/80/90/860198090.db2.gz BHDYRJGSVPQFBV-MRXNPFEDSA-N 1 2 388.581 3.731 20 10 GHCDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000172985442 860198098 /nfs/dbraw/zinc/19/80/98/860198098.db2.gz BHDYRJGSVPQFBV-MRXNPFEDSA-N 1 2 388.581 3.731 20 10 GHCDLO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000920176862 881885657 /nfs/dbraw/zinc/88/56/57/881885657.db2.gz GWRCCYGVACGXET-INIZCTEOSA-N 1 2 398.511 3.754 20 10 GHCDLO O=C1c2ccccc2C(=O)N1CCC1=CC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000793301298 882082268 /nfs/dbraw/zinc/08/22/68/882082268.db2.gz CEBFZQWQMSLDJH-UHFFFAOYSA-N 1 2 396.874 3.864 20 10 GHCDLO O=C1c2ccccc2C(=O)N1CCC1=CC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000793301298 882082288 /nfs/dbraw/zinc/08/22/88/882082288.db2.gz CEBFZQWQMSLDJH-UHFFFAOYSA-N 1 2 396.874 3.864 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000745912243 869880443 /nfs/dbraw/zinc/88/04/43/869880443.db2.gz PQMGPGZPRDUANO-OAQYLSRUSA-N 1 2 391.519 3.612 20 10 GHCDLO CC[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cc(Br)ccc1O ZINC000775540655 870592515 /nfs/dbraw/zinc/59/25/15/870592515.db2.gz OPLPAYSYAHQTGO-HNNXBMFYSA-N 1 2 380.286 3.541 20 10 GHCDLO Cc1cc(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000804334209 871710680 /nfs/dbraw/zinc/71/06/80/871710680.db2.gz BHEBPBOHPIJITJ-SFHVURJKSA-N 1 2 382.895 3.618 20 10 GHCDLO Cn1ccc([C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)c2ccc(F)cc2)n1 ZINC000775622066 872060302 /nfs/dbraw/zinc/06/03/02/872060302.db2.gz PDGVKKVTRLLJDR-QFIPXVFZSA-N 1 2 396.535 3.992 20 10 GHCDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775643975 872253111 /nfs/dbraw/zinc/25/31/11/872253111.db2.gz WZWPDPBNXSCIKJ-UHFFFAOYSA-N 1 2 393.846 3.604 20 10 GHCDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775643975 872253132 /nfs/dbraw/zinc/25/31/32/872253132.db2.gz WZWPDPBNXSCIKJ-UHFFFAOYSA-N 1 2 393.846 3.604 20 10 GHCDLO Cn1cccc1C[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000775713403 873061513 /nfs/dbraw/zinc/06/15/13/873061513.db2.gz MLQUKGVTDAMCCI-UHFFFAOYSA-N 1 2 388.103 3.888 20 10 GHCDLO Cn1cccc1C[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000775713403 873061532 /nfs/dbraw/zinc/06/15/32/873061532.db2.gz MLQUKGVTDAMCCI-UHFFFAOYSA-N 1 2 388.103 3.888 20 10 GHCDLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(Cc2ccccc2)no1 ZINC000743475235 873366242 /nfs/dbraw/zinc/36/62/42/873366242.db2.gz ZRMUIKBQSYYBRL-QZTJIDSGSA-N 1 2 392.503 3.909 20 10 GHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000776173640 875691971 /nfs/dbraw/zinc/69/19/71/875691971.db2.gz BKGUPQDVEOFKTH-SFHVURJKSA-N 1 2 381.303 3.862 20 10 GHCDLO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776257643 876052085 /nfs/dbraw/zinc/05/20/85/876052085.db2.gz ZLYSCUIDTUASLH-ZANVPECISA-N 1 2 393.119 3.822 20 10 GHCDLO COc1ccc(N2CCC[N@H+](Cc3nc(Cc4cccc(F)c4)no3)CC2)cc1 ZINC000785659893 876188088 /nfs/dbraw/zinc/18/80/88/876188088.db2.gz SLGRJJKXAUDEEL-UHFFFAOYSA-N 1 2 396.466 3.520 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](Cc3nc(Cc4cccc(F)c4)no3)CC2)cc1 ZINC000785659893 876188093 /nfs/dbraw/zinc/18/80/93/876188093.db2.gz SLGRJJKXAUDEEL-UHFFFAOYSA-N 1 2 396.466 3.520 20 10 GHCDLO Cc1ccc(O)c(CNc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC000786836272 876953191 /nfs/dbraw/zinc/95/31/91/876953191.db2.gz LRVSUTBIYJCAMM-UHFFFAOYSA-N 1 2 390.325 3.827 20 10 GHCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccccc3C(F)(F)F)C1)OCO2 ZINC000180575408 879062735 /nfs/dbraw/zinc/06/27/35/879062735.db2.gz SARNESGHAAZCGL-SFHVURJKSA-N 1 2 381.350 3.713 20 10 GHCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccccc3C(F)(F)F)C1)OCO2 ZINC000180575408 879062748 /nfs/dbraw/zinc/06/27/48/879062748.db2.gz SARNESGHAAZCGL-SFHVURJKSA-N 1 2 381.350 3.713 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cc(Br)c(F)cc1O ZINC000858479370 883130604 /nfs/dbraw/zinc/13/06/04/883130604.db2.gz PVHFUQRVJXCVSJ-UWVGGRQHSA-N 1 2 381.236 3.674 20 10 GHCDLO C[C@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000858582514 883213975 /nfs/dbraw/zinc/21/39/75/883213975.db2.gz XJWPZKJKCKXCEQ-INIZCTEOSA-N 1 2 396.514 3.723 20 10 GHCDLO Cc1cc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC000858906226 883445565 /nfs/dbraw/zinc/44/55/65/883445565.db2.gz QYSUEIALXDBAPO-IBGZPJMESA-N 1 2 391.519 3.917 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1C ZINC000858929227 883469789 /nfs/dbraw/zinc/46/97/89/883469789.db2.gz BGTPDMCQKDJNIG-UHFFFAOYSA-N 1 2 390.487 3.958 20 10 GHCDLO CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1O ZINC000806138009 884358313 /nfs/dbraw/zinc/35/83/13/884358313.db2.gz QJSFCTRPVRXRQJ-KRWDZBQOSA-N 1 2 383.897 3.569 20 10 GHCDLO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000897948390 884525576 /nfs/dbraw/zinc/52/55/76/884525576.db2.gz MYHMRWXOIUKFJM-BDJLRTHQSA-N 1 2 398.684 3.640 20 10 GHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000898219696 884636989 /nfs/dbraw/zinc/63/69/89/884636989.db2.gz JRNBNLZAERFYME-UHFFFAOYSA-N 1 2 383.879 3.720 20 10 GHCDLO CNC(=O)C[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)c1ccccc1 ZINC000795849234 912908066 /nfs/dbraw/zinc/90/80/66/912908066.db2.gz GOMKMTSGDITWCO-BZNIZROVSA-N 1 2 395.272 3.822 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000861403518 885470188 /nfs/dbraw/zinc/47/01/88/885470188.db2.gz XKXCUNYOHLVSAU-HXUWFJFHSA-N 1 2 389.455 3.595 20 10 GHCDLO CS(=O)(=O)c1ccc([C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)cc1 ZINC000862440111 886383040 /nfs/dbraw/zinc/38/30/40/886383040.db2.gz YKVAFUIPJGVPPB-JOCHJYFZSA-N 1 2 397.496 3.522 20 10 GHCDLO CS(=O)(=O)c1ccc([C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)cc1 ZINC000862440111 886383058 /nfs/dbraw/zinc/38/30/58/886383058.db2.gz YKVAFUIPJGVPPB-JOCHJYFZSA-N 1 2 397.496 3.522 20 10 GHCDLO Cc1cc(-c2noc(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)n2)ccc1F ZINC000119393042 887005376 /nfs/dbraw/zinc/00/53/76/887005376.db2.gz LILROVILHLVLJO-UHFFFAOYSA-N 1 2 396.466 3.653 20 10 GHCDLO Cc1cc(-c2noc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)n2)ccc1F ZINC000119393042 887005389 /nfs/dbraw/zinc/00/53/89/887005389.db2.gz LILROVILHLVLJO-UHFFFAOYSA-N 1 2 396.466 3.653 20 10 GHCDLO Cc1cc(C(=O)NCc2c[nH+]cn2C)c(C)n1-c1ccc(Br)cc1 ZINC000811589671 889771270 /nfs/dbraw/zinc/77/12/70/889771270.db2.gz ZTLPQTCOYBOCJE-UHFFFAOYSA-N 1 2 387.281 3.520 20 10 GHCDLO COc1cccc(CN(C)C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000123290171 890491170 /nfs/dbraw/zinc/49/11/70/890491170.db2.gz HJCIJXPZNJRDLZ-UHFFFAOYSA-N 1 2 394.471 3.655 20 10 GHCDLO COc1cccc(CN(C)C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000123290171 890491180 /nfs/dbraw/zinc/49/11/80/890491180.db2.gz HJCIJXPZNJRDLZ-UHFFFAOYSA-N 1 2 394.471 3.655 20 10 GHCDLO CCCC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 ZINC000917110416 891273461 /nfs/dbraw/zinc/27/34/61/891273461.db2.gz SRTDMKFIIDDOGD-UHFFFAOYSA-N 1 2 399.510 3.797 20 10 GHCDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)CC2)cc1 ZINC000917453409 892021564 /nfs/dbraw/zinc/02/15/64/892021564.db2.gz YTXKGABYFBOCGM-UHFFFAOYSA-N 1 2 382.504 3.662 20 10 GHCDLO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000876777826 893325159 /nfs/dbraw/zinc/32/51/59/893325159.db2.gz UJDRWHJJXISYEH-INIZCTEOSA-N 1 2 389.565 3.834 20 10 GHCDLO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000876777826 893325174 /nfs/dbraw/zinc/32/51/74/893325174.db2.gz UJDRWHJJXISYEH-INIZCTEOSA-N 1 2 389.565 3.834 20 10 GHCDLO Cc1nc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)sc1Br ZINC000877923144 893895279 /nfs/dbraw/zinc/89/52/79/893895279.db2.gz JYJFLSWCDONKEJ-UHFFFAOYSA-N 1 2 396.354 3.683 20 10 GHCDLO Cc1nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)sc1Br ZINC000877923144 893895298 /nfs/dbraw/zinc/89/52/98/893895298.db2.gz JYJFLSWCDONKEJ-UHFFFAOYSA-N 1 2 396.354 3.683 20 10 GHCDLO C[C@@H](NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000878300065 894177388 /nfs/dbraw/zinc/17/73/88/894177388.db2.gz AOSWREVXXHQQJM-YESZJQIVSA-N 1 2 383.492 3.884 20 10 GHCDLO CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971483 895989774 /nfs/dbraw/zinc/98/97/74/895989774.db2.gz DKQYLPHHIQQHDF-RKDXNWHRSA-N 1 2 380.124 3.566 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000133692303 898851751 /nfs/dbraw/zinc/85/17/51/898851751.db2.gz YKMLNDKQQLQIMJ-AWEZNQCLSA-N 1 2 385.302 3.548 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000890266433 900954039 /nfs/dbraw/zinc/95/40/39/900954039.db2.gz PSIAYZPRHJAUAX-NRFANRHFSA-N 1 2 377.492 3.532 20 10 GHCDLO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(Br)c(F)cc3O)C[C@H]12 ZINC001144292848 901622736 /nfs/dbraw/zinc/62/27/36/901622736.db2.gz ITUYLGJSVVIIIS-KBPBESRZSA-N 1 2 376.225 3.706 20 10 GHCDLO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(Br)c(F)cc3O)C[C@H]12 ZINC001144292848 901622744 /nfs/dbraw/zinc/62/27/44/901622744.db2.gz ITUYLGJSVVIIIS-KBPBESRZSA-N 1 2 376.225 3.706 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)c(F)cc1O ZINC000846216576 902792839 /nfs/dbraw/zinc/79/28/39/902792839.db2.gz SJBCVVVWRVNFOM-BMIGLBTASA-N 1 2 395.272 3.721 20 10 GHCDLO COc1cc(C[NH+]2CCOCC2)ccc1NCc1cc2ccccc2cc1O ZINC001171406896 904520827 /nfs/dbraw/zinc/52/08/27/904520827.db2.gz GEKDTCDGBVHMBZ-UHFFFAOYSA-N 1 2 378.472 3.998 20 10 GHCDLO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000189492250 905103051 /nfs/dbraw/zinc/10/30/51/905103051.db2.gz JASOODMCXWIIKL-UHFFFAOYSA-N 1 2 397.313 3.812 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001175196145 907407985 /nfs/dbraw/zinc/40/79/85/907407985.db2.gz WLKSVVDPPSCCKI-NHYWBVRUSA-N 1 2 382.888 3.736 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001175196145 907407996 /nfs/dbraw/zinc/40/79/96/907407996.db2.gz WLKSVVDPPSCCKI-NHYWBVRUSA-N 1 2 382.888 3.736 20 10 GHCDLO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001177986189 908861834 /nfs/dbraw/zinc/86/18/34/908861834.db2.gz WBOJVBGMUATXIN-CQSZACIVSA-N 1 2 392.446 3.816 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCS1 ZINC001178184605 908929701 /nfs/dbraw/zinc/92/97/01/908929701.db2.gz QZSPFBUEVHXWIK-JTQLQIEISA-N 1 2 381.133 3.902 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000195562687 909021292 /nfs/dbraw/zinc/02/12/92/909021292.db2.gz JGOKBZVSPRZILD-UHFFFAOYSA-N 1 2 395.551 3.918 20 10 GHCDLO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)cc(Br)c2O)cc1 ZINC001180586630 910256696 /nfs/dbraw/zinc/25/66/96/910256696.db2.gz WTKRLZFYHLNZIM-UHFFFAOYSA-N 1 2 397.700 3.800 20 10 GHCDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc(Br)c2O)cc1 ZINC001180586630 910256708 /nfs/dbraw/zinc/25/67/08/910256708.db2.gz WTKRLZFYHLNZIM-UHFFFAOYSA-N 1 2 397.700 3.800 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC000796339228 914891974 /nfs/dbraw/zinc/89/19/74/914891974.db2.gz SUGIRFWXSMTPSB-QFBILLFUSA-N 1 2 394.437 3.770 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC000796339228 914891988 /nfs/dbraw/zinc/89/19/88/914891988.db2.gz SUGIRFWXSMTPSB-QFBILLFUSA-N 1 2 394.437 3.770 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]Cc1cccc(Br)c1O ZINC000775153026 915628514 /nfs/dbraw/zinc/62/85/14/915628514.db2.gz QOULMTQTNOLDCK-UHFFFAOYSA-N 1 2 387.071 3.913 20 10 GHCDLO C[C@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccc(N2CCOCC2)cc1 ZINC000775261107 916674869 /nfs/dbraw/zinc/67/48/69/916674869.db2.gz SOZUNQUPAGAHSZ-SFHVURJKSA-N 1 2 392.503 3.542 20 10 GHCDLO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191022040 917709872 /nfs/dbraw/zinc/70/98/72/917709872.db2.gz NTHYSUVMGMRRIG-FQEVSTJZSA-N 1 2 390.483 3.911 20 10 GHCDLO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191022040 917709895 /nfs/dbraw/zinc/70/98/95/917709895.db2.gz NTHYSUVMGMRRIG-FQEVSTJZSA-N 1 2 390.483 3.911 20 10 GHCDLO COC(=O)C[N@H+](CCCOCc1ccccc1)Cc1cc(Cl)ccc1O ZINC001191683484 918151071 /nfs/dbraw/zinc/15/10/71/918151071.db2.gz WUNIREOUNYDDIF-UHFFFAOYSA-N 1 2 377.868 3.628 20 10 GHCDLO COC(=O)C[N@@H+](CCCOCc1ccccc1)Cc1cc(Cl)ccc1O ZINC001191683484 918151082 /nfs/dbraw/zinc/15/10/82/918151082.db2.gz WUNIREOUNYDDIF-UHFFFAOYSA-N 1 2 377.868 3.628 20 10 GHCDLO COC1CCN(c2ccc(C[NH+]3CCN(Cc4cccs4)CC3)cc2)CC1 ZINC000827377653 925387299 /nfs/dbraw/zinc/38/72/99/925387299.db2.gz AXGKTPAZTHWIQU-UHFFFAOYSA-N 1 2 385.577 3.681 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1O ZINC000750825833 927878594 /nfs/dbraw/zinc/87/85/94/927878594.db2.gz LPUOXUSTLVMWQU-UHFFFAOYSA-N 1 2 376.403 3.722 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1O ZINC000750825833 927878611 /nfs/dbraw/zinc/87/86/11/927878611.db2.gz LPUOXUSTLVMWQU-UHFFFAOYSA-N 1 2 376.403 3.722 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC000781909091 931023987 /nfs/dbraw/zinc/02/39/87/931023987.db2.gz PFFQFHRFKLEGNZ-NSHDSACASA-N 1 2 381.236 3.532 20 10 GHCDLO Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(Br)c(F)cc3O)CC2)n[nH]1 ZINC000784051109 931767694 /nfs/dbraw/zinc/76/76/94/931767694.db2.gz JOQYCHPXSNKQEF-NSHDSACASA-N 1 2 397.292 3.645 20 10 GHCDLO Cc1cc(N2CCC([NH2+][C@H](C)c3cc(Br)cc(F)c3O)CC2)n[nH]1 ZINC000784055940 931769021 /nfs/dbraw/zinc/76/90/21/931769021.db2.gz IOMKEUQJGDZOPA-LLVKDONJSA-N 1 2 397.292 3.645 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+]3CCO[C@H](COc4ccccc4)C3)cc2)CC1 ZINC000829171230 935776296 /nfs/dbraw/zinc/77/62/96/935776296.db2.gz SQUDEQSLYNSXSG-DEOSSOPVSA-N 1 2 396.531 3.582 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+]3CCO[C@H](COc4ccccc4)C3)cc2)CC1 ZINC000829171230 935776298 /nfs/dbraw/zinc/77/62/98/935776298.db2.gz SQUDEQSLYNSXSG-DEOSSOPVSA-N 1 2 396.531 3.582 20 10 GHCDLO CCCO[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203567416 1027438059 /nfs/dbraw/zinc/43/80/59/1027438059.db2.gz QJVGQROYDFYUSA-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO CCCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203567416 1027438075 /nfs/dbraw/zinc/43/80/75/1027438075.db2.gz QJVGQROYDFYUSA-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO CC[NH+]1CCC(Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)CC1 ZINC001227507660 1032446200 /nfs/dbraw/zinc/44/62/00/1032446200.db2.gz YDSOHDYVRIFWJV-UHFFFAOYSA-N 1 2 381.428 3.734 20 10 GHCDLO O=C(NCCC(F)(F)F)[C@@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232029 1032518525 /nfs/dbraw/zinc/51/85/25/1032518525.db2.gz JKSQCHJDCADFOT-ZDUSSCGKSA-N 1 2 390.833 3.716 20 10 GHCDLO OC1CCN(c2ccc(C[N@@H+]3CCc4ncc(C(F)(F)F)cc4C3)cc2)CC1 ZINC001140284999 1021315667 /nfs/dbraw/zinc/31/56/67/1021315667.db2.gz BJARBZYRTKWDSW-UHFFFAOYSA-N 1 2 391.437 3.620 20 10 GHCDLO OC1CCN(c2ccc(C[N@H+]3CCc4ncc(C(F)(F)F)cc4C3)cc2)CC1 ZINC001140284999 1021315687 /nfs/dbraw/zinc/31/56/87/1021315687.db2.gz BJARBZYRTKWDSW-UHFFFAOYSA-N 1 2 391.437 3.620 20 10 GHCDLO COc1cc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000754742624 1022874982 /nfs/dbraw/zinc/87/49/82/1022874982.db2.gz UXKMCENRGJAXKY-UHFFFAOYSA-N 1 2 391.533 3.734 20 10 GHCDLO COc1cc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000754742624 1022874999 /nfs/dbraw/zinc/87/49/99/1022874999.db2.gz UXKMCENRGJAXKY-UHFFFAOYSA-N 1 2 391.533 3.734 20 10 GHCDLO Cc1nccnc1C[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001140939940 1022925930 /nfs/dbraw/zinc/92/59/30/1022925930.db2.gz XPPVLHLTBRWTFG-UHFFFAOYSA-N 1 2 385.471 3.915 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(OC)c1 ZINC001141026619 1023257289 /nfs/dbraw/zinc/25/72/89/1023257289.db2.gz XIDKRJUIERDXHP-NQIIRXRSSA-N 1 2 382.504 3.506 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(OC)c1 ZINC001141026619 1023257299 /nfs/dbraw/zinc/25/72/99/1023257299.db2.gz XIDKRJUIERDXHP-NQIIRXRSSA-N 1 2 382.504 3.506 20 10 GHCDLO COc1cc(O)c(C[NH+]2CCN(Cc3ccc4ccccc4c3)CC2)c(OC)c1 ZINC001141030546 1023295350 /nfs/dbraw/zinc/29/53/50/1023295350.db2.gz BAHLYOMREWKYNF-UHFFFAOYSA-N 1 2 392.499 3.880 20 10 GHCDLO C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756529816 1023700131 /nfs/dbraw/zinc/70/01/31/1023700131.db2.gz WATIQXSSTGLTGP-JTQLQIEISA-N 1 2 391.281 3.811 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(F)c1O ZINC000756764600 1023805437 /nfs/dbraw/zinc/80/54/37/1023805437.db2.gz JPDFVCJIDNNEQF-AAEUAGOBSA-N 1 2 388.277 3.673 20 10 GHCDLO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000756779344 1023812043 /nfs/dbraw/zinc/81/20/43/1023812043.db2.gz JHUSXQJACLETMX-MENVHETRSA-N 1 2 380.822 3.946 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3cccnc3NC(=O)C(C)(C)C)CC2)cc1 ZINC001138545503 1024990863 /nfs/dbraw/zinc/99/08/63/1024990863.db2.gz OUYMIGXZZUPHJF-UHFFFAOYSA-N 1 2 396.535 3.787 20 10 GHCDLO Cc1cc(C)n2c(nn(C[N@H+](Cc3ccc(N(C)C)cc3)C(C)C)c2=S)n1 ZINC000839970971 1026382221 /nfs/dbraw/zinc/38/22/21/1026382221.db2.gz XJXOEQUCLIRPKC-UHFFFAOYSA-N 1 2 384.553 3.811 20 10 GHCDLO Cc1cc(C)n2c(nn(C[N@@H+](Cc3ccc(N(C)C)cc3)C(C)C)c2=S)n1 ZINC000839970971 1026382236 /nfs/dbraw/zinc/38/22/36/1026382236.db2.gz XJXOEQUCLIRPKC-UHFFFAOYSA-N 1 2 384.553 3.811 20 10 GHCDLO Oc1cccc(Br)c1C[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC001140098878 1026875919 /nfs/dbraw/zinc/87/59/19/1026875919.db2.gz QGAWZNFHTRPHBT-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccccc1C[NH+]1CCOCC1 ZINC001209925995 1027277802 /nfs/dbraw/zinc/27/78/02/1027277802.db2.gz LETFOWGUAFVPRA-ALNQNNHBSA-N 1 2 388.475 3.787 20 10 GHCDLO COC[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203563114 1027436654 /nfs/dbraw/zinc/43/66/54/1027436654.db2.gz VTEFWWJQNQAAQE-LLVKDONJSA-N 1 2 379.092 3.528 20 10 GHCDLO COC[C@H]1CCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203563114 1027436660 /nfs/dbraw/zinc/43/66/60/1027436660.db2.gz VTEFWWJQNQAAQE-LLVKDONJSA-N 1 2 379.092 3.528 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2Cc3nn(C)cc3[C@H](COCC3CC3)C2)cc1 ZINC001203938615 1027731302 /nfs/dbraw/zinc/73/13/02/1027731302.db2.gz HNYQZWGQYFRSHP-FQEVSTJZSA-N 1 2 382.552 3.792 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2Cc3nn(C)cc3[C@H](COCC3CC3)C2)cc1 ZINC001203938615 1027731312 /nfs/dbraw/zinc/73/13/12/1027731312.db2.gz HNYQZWGQYFRSHP-FQEVSTJZSA-N 1 2 382.552 3.792 20 10 GHCDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461280206 1069478826 /nfs/dbraw/zinc/47/88/26/1069478826.db2.gz IEKQRMNEMJPHPY-PMACEKPBSA-N 1 2 392.902 3.954 20 10 GHCDLO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)cc1 ZINC000840809332 1027849272 /nfs/dbraw/zinc/84/92/72/1027849272.db2.gz RANJSICMJGFLPR-WCQYABFASA-N 1 2 398.272 3.729 20 10 GHCDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000841297089 1028388767 /nfs/dbraw/zinc/38/87/67/1028388767.db2.gz NDBDJIVMCBBPQA-AEFFLSMTSA-N 1 2 378.398 3.643 20 10 GHCDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000841297089 1028388788 /nfs/dbraw/zinc/38/87/88/1028388788.db2.gz NDBDJIVMCBBPQA-AEFFLSMTSA-N 1 2 378.398 3.643 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC001461432880 1069547154 /nfs/dbraw/zinc/54/71/54/1069547154.db2.gz OJGJSLARCKZWME-UHFFFAOYSA-N 1 2 399.226 3.658 20 10 GHCDLO Oc1ccc(-c2nc(-c3cc(Cl)ccc3F)no2)cc1C[NH+]1CCOCC1 ZINC001217054774 1030127066 /nfs/dbraw/zinc/12/70/66/1030127066.db2.gz KDWAPBRVUOWZQU-UHFFFAOYSA-N 1 2 389.814 3.734 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC001461728978 1069706499 /nfs/dbraw/zinc/70/64/99/1069706499.db2.gz LEUOFWWAFZMUBK-CQSZACIVSA-N 1 2 388.664 3.640 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ncc(Br)cc1O ZINC001206328272 1033798079 /nfs/dbraw/zinc/79/80/79/1033798079.db2.gz IJIHPLZKKUSZQQ-ZDUSSCGKSA-N 1 2 378.314 3.645 20 10 GHCDLO Fc1cnccc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001206790618 1033983815 /nfs/dbraw/zinc/98/38/15/1033983815.db2.gz VBPUJEJIJPFKAP-UHFFFAOYSA-N 1 2 378.451 3.517 20 10 GHCDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)c(F)cc1O ZINC001276518364 1034222350 /nfs/dbraw/zinc/22/23/50/1034222350.db2.gz OTKDGGJLYDPRCN-HZPDHXFCSA-N 1 2 399.304 3.515 20 10 GHCDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c(F)cc1O ZINC001276518364 1034222363 /nfs/dbraw/zinc/22/23/63/1034222363.db2.gz OTKDGGJLYDPRCN-HZPDHXFCSA-N 1 2 399.304 3.515 20 10 GHCDLO Oc1cccc(F)c1C[NH2+]Cc1c(Br)cncc1Br ZINC001207623950 1034494738 /nfs/dbraw/zinc/49/47/38/1034494738.db2.gz ZCKMPJAJSJMNCE-UHFFFAOYSA-N 1 2 390.050 3.741 20 10 GHCDLO O=C1N(C2CCCC2)CCC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277507914 1034529235 /nfs/dbraw/zinc/52/92/35/1034529235.db2.gz SIEWSFMIEXZEIR-UHFFFAOYSA-N 1 2 380.891 3.942 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC001231631654 1034792164 /nfs/dbraw/zinc/79/21/64/1034792164.db2.gz CCWQUYGAEMOBIM-UHFFFAOYSA-N 1 2 393.487 3.689 20 10 GHCDLO O=C1COC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)CN1c1ccsc1 ZINC001231911948 1034986654 /nfs/dbraw/zinc/98/66/54/1034986654.db2.gz TZXDATDWRSSCCL-UHFFFAOYSA-N 1 2 392.908 3.505 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001231911542 1034987038 /nfs/dbraw/zinc/98/70/38/1034987038.db2.gz NNDSZWUMDRPTMN-SFHVURJKSA-N 1 2 394.853 3.573 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001231911542 1034987041 /nfs/dbraw/zinc/98/70/41/1034987041.db2.gz NNDSZWUMDRPTMN-SFHVURJKSA-N 1 2 394.853 3.573 20 10 GHCDLO CSc1nc(Cl)cc(N2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)n1 ZINC001231914794 1034987660 /nfs/dbraw/zinc/98/76/60/1034987660.db2.gz QMCBUYFOJSPQHW-UHFFFAOYSA-N 1 2 399.347 3.923 20 10 GHCDLO CSc1nc(Cl)cc(N2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)n1 ZINC001231914794 1034987664 /nfs/dbraw/zinc/98/76/64/1034987664.db2.gz QMCBUYFOJSPQHW-UHFFFAOYSA-N 1 2 399.347 3.923 20 10 GHCDLO COc1ccc(C[NH+]2CC(c3ccccc3)C2)c(O)c1I ZINC001248494359 1035914411 /nfs/dbraw/zinc/91/44/11/1035914411.db2.gz SRWCPCGTJJKUOV-UHFFFAOYSA-N 1 2 395.240 3.605 20 10 GHCDLO Oc1cc(O)c(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1Cl ZINC001232262732 1037984481 /nfs/dbraw/zinc/98/44/81/1037984481.db2.gz OACAFZLHKXWBCX-UHFFFAOYSA-N 1 2 388.682 3.775 20 10 GHCDLO CS(=O)(=O)c1cccc([C@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)c1 ZINC001232263224 1037984577 /nfs/dbraw/zinc/98/45/77/1037984577.db2.gz KUAINCRGAYJFLV-AWEZNQCLSA-N 1 2 395.908 3.534 20 10 GHCDLO CS(=O)(=O)c1cccc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(O)cc3O)C2)c1 ZINC001232263224 1037984582 /nfs/dbraw/zinc/98/45/82/1037984582.db2.gz KUAINCRGAYJFLV-AWEZNQCLSA-N 1 2 395.908 3.534 20 10 GHCDLO C[N@H+]1CCN(Cc2c(O)cc(Br)cc2F)C[C@@H]1c1ccccc1 ZINC001233030977 1038786402 /nfs/dbraw/zinc/78/64/02/1038786402.db2.gz UUQYHUYJKAPFMF-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233109364 1038897934 /nfs/dbraw/zinc/89/79/34/1038897934.db2.gz TUUIVYLHJNXYEW-GJZGRUSLSA-N 1 2 397.313 3.657 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233109364 1038897958 /nfs/dbraw/zinc/89/79/58/1038897958.db2.gz TUUIVYLHJNXYEW-GJZGRUSLSA-N 1 2 397.313 3.657 20 10 GHCDLO Oc1c(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417168 1039274982 /nfs/dbraw/zinc/27/49/82/1039274982.db2.gz KTARZJXLKBUYPS-HNNXBMFYSA-N 1 2 395.425 3.666 20 10 GHCDLO Oc1c(C[N@@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417168 1039274991 /nfs/dbraw/zinc/27/49/91/1039274991.db2.gz KTARZJXLKBUYPS-HNNXBMFYSA-N 1 2 395.425 3.666 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c(O)c1Cl ZINC001277835326 1039890716 /nfs/dbraw/zinc/89/07/16/1039890716.db2.gz XFTWRLBCDNORJU-HXUWFJFHSA-N 1 2 378.900 3.564 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c(O)c1Cl ZINC001277835326 1039890739 /nfs/dbraw/zinc/89/07/39/1039890739.db2.gz XFTWRLBCDNORJU-HXUWFJFHSA-N 1 2 378.900 3.564 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c(O)c1Cl ZINC001277835819 1039900478 /nfs/dbraw/zinc/90/04/78/1039900478.db2.gz ZQUIBDCTGLIBPO-FQEVSTJZSA-N 1 2 378.900 3.587 20 10 GHCDLO Cc1cccnc1N1CCC[N@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235301400 1040776660 /nfs/dbraw/zinc/77/66/60/1040776660.db2.gz HDFBBHFXZSKQFW-UHFFFAOYSA-N 1 2 394.288 3.710 20 10 GHCDLO Cc1cccnc1N1CCC[N@@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235301400 1040776676 /nfs/dbraw/zinc/77/66/76/1040776676.db2.gz HDFBBHFXZSKQFW-UHFFFAOYSA-N 1 2 394.288 3.710 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(Br)c1O ZINC001235304754 1040778676 /nfs/dbraw/zinc/77/86/76/1040778676.db2.gz AJLPVESHEMRODJ-ZDUSSCGKSA-N 1 2 388.277 3.990 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(Br)c1O ZINC001235304754 1040778700 /nfs/dbraw/zinc/77/87/00/1040778700.db2.gz AJLPVESHEMRODJ-ZDUSSCGKSA-N 1 2 388.277 3.990 20 10 GHCDLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001236794205 1041898273 /nfs/dbraw/zinc/89/82/73/1041898273.db2.gz UFCGWICMJFVVBH-CABCVRRESA-N 1 2 398.315 3.645 20 10 GHCDLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001236794205 1041898281 /nfs/dbraw/zinc/89/82/81/1041898281.db2.gz UFCGWICMJFVVBH-CABCVRRESA-N 1 2 398.315 3.645 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c(O)c1Cl ZINC001236803610 1041905927 /nfs/dbraw/zinc/90/59/27/1041905927.db2.gz INZKLVFSTVXDFY-DZGCQCFKSA-N 1 2 393.940 3.607 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c(O)c1Cl ZINC001236803610 1041905930 /nfs/dbraw/zinc/90/59/30/1041905930.db2.gz INZKLVFSTVXDFY-DZGCQCFKSA-N 1 2 393.940 3.607 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c(O)c1Cl ZINC001236812176 1041912220 /nfs/dbraw/zinc/91/22/20/1041912220.db2.gz SOBVZAHQVADKEI-SNVBAGLBSA-N 1 2 391.777 3.836 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c(O)c1Cl ZINC001236812176 1041912222 /nfs/dbraw/zinc/91/22/22/1041912222.db2.gz SOBVZAHQVADKEI-SNVBAGLBSA-N 1 2 391.777 3.836 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)Cc2cn(CC3CC3)nc21 ZINC001237120598 1042049003 /nfs/dbraw/zinc/04/90/03/1042049003.db2.gz DQERLHHSAYLZJR-OAHLLOKOSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)Cc2cn(CC3CC3)nc21 ZINC001237120598 1042049007 /nfs/dbraw/zinc/04/90/07/1042049007.db2.gz DQERLHHSAYLZJR-OAHLLOKOSA-N 1 2 393.890 3.927 20 10 GHCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001237121700 1042049555 /nfs/dbraw/zinc/04/95/55/1042049555.db2.gz NTGNBMJZGZMUSX-WFASDCNBSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001237121700 1042049563 /nfs/dbraw/zinc/04/95/63/1042049563.db2.gz NTGNBMJZGZMUSX-WFASDCNBSA-N 1 2 381.904 3.738 20 10 GHCDLO CCn1cncc1C[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001237594319 1042275952 /nfs/dbraw/zinc/27/59/52/1042275952.db2.gz RXHTVWHCLBWSOK-UHFFFAOYSA-N 1 2 376.504 3.804 20 10 GHCDLO CN1C(=O)C2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)[C@@H]1c1ccccc1 ZINC001237617687 1042284363 /nfs/dbraw/zinc/28/43/63/1042284363.db2.gz CEUACAVLJATXLY-IBGZPJMESA-N 1 2 388.870 3.980 20 10 GHCDLO O=C1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1cccc(F)c1 ZINC001237619914 1042286587 /nfs/dbraw/zinc/28/65/87/1042286587.db2.gz SHDXDHSDUSHVOT-HXUWFJFHSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1cccc(F)c1 ZINC001237619914 1042286596 /nfs/dbraw/zinc/28/65/96/1042286596.db2.gz SHDXDHSDUSHVOT-HXUWFJFHSA-N 1 2 392.833 3.953 20 10 GHCDLO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC001237622219 1042288875 /nfs/dbraw/zinc/28/88/75/1042288875.db2.gz OVMQQNQGRJIHDC-ROUUACIJSA-N 1 2 376.859 3.808 20 10 GHCDLO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC001237622219 1042288879 /nfs/dbraw/zinc/28/88/79/1042288879.db2.gz OVMQQNQGRJIHDC-ROUUACIJSA-N 1 2 376.859 3.808 20 10 GHCDLO NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC001237622209 1042288957 /nfs/dbraw/zinc/28/89/57/1042288957.db2.gz OVMQQNQGRJIHDC-MSOLQXFVSA-N 1 2 376.859 3.808 20 10 GHCDLO NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC001237622209 1042288961 /nfs/dbraw/zinc/28/89/61/1042288961.db2.gz OVMQQNQGRJIHDC-MSOLQXFVSA-N 1 2 376.859 3.808 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@@H]1O ZINC001237783199 1042366550 /nfs/dbraw/zinc/36/65/50/1042366550.db2.gz FVEXGRDSOFGZCG-RNCFNFMXSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@@H]1O ZINC001237783199 1042366555 /nfs/dbraw/zinc/36/65/55/1042366555.db2.gz FVEXGRDSOFGZCG-RNCFNFMXSA-N 1 2 382.220 3.766 20 10 GHCDLO O=C1C[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1ccsc1 ZINC001237798815 1042375835 /nfs/dbraw/zinc/37/58/35/1042375835.db2.gz BMCMTGMDIRPXPF-SFHVURJKSA-N 1 2 380.872 3.875 20 10 GHCDLO O=C1C[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1ccsc1 ZINC001237798815 1042375840 /nfs/dbraw/zinc/37/58/40/1042375840.db2.gz BMCMTGMDIRPXPF-SFHVURJKSA-N 1 2 380.872 3.875 20 10 GHCDLO CC[C@@H]1[N@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@]12CCC(=O)N2CCOC ZINC001237798780 1042376030 /nfs/dbraw/zinc/37/60/30/1042376030.db2.gz BCZDFGHLRADYJB-PXNSSMCTSA-N 1 2 398.906 3.567 20 10 GHCDLO CC[C@@H]1[N@@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@]12CCC(=O)N2CCOC ZINC001237798780 1042376032 /nfs/dbraw/zinc/37/60/32/1042376032.db2.gz BCZDFGHLRADYJB-PXNSSMCTSA-N 1 2 398.906 3.567 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]21 ZINC001237802611 1042378039 /nfs/dbraw/zinc/37/80/39/1042378039.db2.gz MNXSXFZWYJEHKJ-HZUKXOBISA-N 1 2 384.879 3.920 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]21 ZINC001237802611 1042378042 /nfs/dbraw/zinc/37/80/42/1042378042.db2.gz MNXSXFZWYJEHKJ-HZUKXOBISA-N 1 2 384.879 3.920 20 10 GHCDLO CS(=O)(=O)c1ccc(C2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)cc1 ZINC001237943196 1042432533 /nfs/dbraw/zinc/43/25/33/1042432533.db2.gz LMIMIOOWQOPTHN-UHFFFAOYSA-N 1 2 397.899 3.968 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[NH+]1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001237943937 1042432682 /nfs/dbraw/zinc/43/26/82/1042432682.db2.gz QXBYGMZJXCJTBC-UHFFFAOYSA-N 1 2 398.869 3.964 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1c(O)cccc1Cl ZINC001294858678 1044819580 /nfs/dbraw/zinc/81/95/80/1044819580.db2.gz DTKVRGYNFBECKK-CQSZACIVSA-N 1 2 395.286 3.799 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1c(O)cccc1Cl ZINC001294858678 1044819603 /nfs/dbraw/zinc/81/96/03/1044819603.db2.gz DTKVRGYNFBECKK-CQSZACIVSA-N 1 2 395.286 3.799 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279663715 1047903916 /nfs/dbraw/zinc/90/39/16/1047903916.db2.gz BVJANVDKZLWAPD-IBGZPJMESA-N 1 2 395.334 3.910 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279663715 1047903922 /nfs/dbraw/zinc/90/39/22/1047903922.db2.gz BVJANVDKZLWAPD-IBGZPJMESA-N 1 2 395.334 3.910 20 10 GHCDLO C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@H+](C)CCC1CC1 ZINC001307592798 1049430486 /nfs/dbraw/zinc/43/04/86/1049430486.db2.gz QQPOMGJERGSSOM-AWEZNQCLSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@@H+](C)CCC1CC1 ZINC001307592798 1049430491 /nfs/dbraw/zinc/43/04/91/1049430491.db2.gz QQPOMGJERGSSOM-AWEZNQCLSA-N 1 2 376.456 3.521 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC001307600016 1049439621 /nfs/dbraw/zinc/43/96/21/1049439621.db2.gz RLPOILIZABRLRT-INIZCTEOSA-N 1 2 387.911 3.888 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001308264907 1049931351 /nfs/dbraw/zinc/93/13/51/1049931351.db2.gz XANRSEZYOSFJNT-MRVPVSSYSA-N 1 2 380.217 3.727 20 10 GHCDLO CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2cccc(Br)c2O)CCC1 ZINC001308740631 1050076899 /nfs/dbraw/zinc/07/68/99/1050076899.db2.gz FNBPQNFLAKNGAY-UHFFFAOYSA-N 1 2 399.329 3.939 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]12 ZINC000757997383 1051787274 /nfs/dbraw/zinc/78/72/74/1051787274.db2.gz IYBUGQFAPMJADF-DIOULYMOSA-N 1 2 384.879 3.920 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]12 ZINC000757997383 1051787285 /nfs/dbraw/zinc/78/72/85/1051787285.db2.gz IYBUGQFAPMJADF-DIOULYMOSA-N 1 2 384.879 3.920 20 10 GHCDLO C[C@@H]1CCC[C@H](C)C[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001459506111 1064115660 /nfs/dbraw/zinc/11/56/60/1064115660.db2.gz IPNIJNUNDVCXLI-JKSUJKDBSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001459506111 1064115665 /nfs/dbraw/zinc/11/56/65/1064115665.db2.gz IPNIJNUNDVCXLI-JKSUJKDBSA-N 1 2 390.483 3.911 20 10 GHCDLO COC(=O)C[N@H+](CCCOc1ccccc1C)Cc1cc(Cl)ccc1O ZINC001459690248 1064170793 /nfs/dbraw/zinc/17/07/93/1064170793.db2.gz ZJLILZVCXVBOLA-UHFFFAOYSA-N 1 2 377.868 3.798 20 10 GHCDLO COC(=O)C[N@@H+](CCCOc1ccccc1C)Cc1cc(Cl)ccc1O ZINC001459690248 1064170800 /nfs/dbraw/zinc/17/08/00/1064170800.db2.gz ZJLILZVCXVBOLA-UHFFFAOYSA-N 1 2 377.868 3.798 20 10 GHCDLO C[N@@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C[C@H]1CC=CCC1 ZINC001459809339 1064226698 /nfs/dbraw/zinc/22/66/98/1064226698.db2.gz XVHUORZJJLYWGH-INIZCTEOSA-N 1 2 388.467 3.689 20 10 GHCDLO C[N@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C[C@H]1CC=CCC1 ZINC001459809339 1064226703 /nfs/dbraw/zinc/22/67/03/1064226703.db2.gz XVHUORZJJLYWGH-INIZCTEOSA-N 1 2 388.467 3.689 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001471122152 1072931194 /nfs/dbraw/zinc/93/11/94/1072931194.db2.gz VIPFGWLQAZKIKI-JOCHJYFZSA-N 1 2 380.536 3.861 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001471122152 1072931196 /nfs/dbraw/zinc/93/11/96/1072931196.db2.gz VIPFGWLQAZKIKI-JOCHJYFZSA-N 1 2 380.536 3.861 20 10 GHCDLO CC(C)Oc1ccc([C@@H](O)C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001474003627 1074232431 /nfs/dbraw/zinc/23/24/31/1074232431.db2.gz YSWHLMSCYBKRTA-KRWDZBQOSA-N 1 2 398.272 3.904 20 10 GHCDLO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)cn1 ZINC001474360240 1074362952 /nfs/dbraw/zinc/36/29/52/1074362952.db2.gz MDPSMVAYEXNXAW-NSHDSACASA-N 1 2 384.705 3.606 20 10 GHCDLO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)cn1 ZINC001474360240 1074362959 /nfs/dbraw/zinc/36/29/59/1074362959.db2.gz MDPSMVAYEXNXAW-NSHDSACASA-N 1 2 384.705 3.606 20 10 GHCDLO COCCC[N@H+](Cc1ccncc1)Cc1cc(Br)cc(F)c1O ZINC001474502135 1074434863 /nfs/dbraw/zinc/43/48/63/1074434863.db2.gz UDKAFNHBHXVBRJ-UHFFFAOYSA-N 1 2 383.261 3.728 20 10 GHCDLO COCCC[N@@H+](Cc1ccncc1)Cc1cc(Br)cc(F)c1O ZINC001474502135 1074434866 /nfs/dbraw/zinc/43/48/66/1074434866.db2.gz UDKAFNHBHXVBRJ-UHFFFAOYSA-N 1 2 383.261 3.728 20 10 GHCDLO O=C1[C@H]([NH2+]Cc2ccc(F)c(F)c2O)CCN1c1ccc(C(F)(F)F)cc1 ZINC001474663582 1074505031 /nfs/dbraw/zinc/50/50/31/1074505031.db2.gz QUNIBIJAVKJMIW-CQSZACIVSA-N 1 2 386.320 3.584 20 10 GHCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000471649842 841270864 /nfs/dbraw/zinc/27/08/64/841270864.db2.gz QUGWCSNZGVMWPW-UHFFFAOYSA-N 1 2 387.487 3.731 20 10 GHCDLO Oc1cc(F)c(F)cc1CN1CCCC2(C[NH+](CCCC(F)(F)F)C2)C1 ZINC001279108704 841664322 /nfs/dbraw/zinc/66/43/22/841664322.db2.gz WCOKLQIHAKWNFJ-UHFFFAOYSA-N 1 2 378.385 3.911 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279108704 841664326 /nfs/dbraw/zinc/66/43/26/841664326.db2.gz WCOKLQIHAKWNFJ-UHFFFAOYSA-N 1 2 378.385 3.911 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279108704 841664331 /nfs/dbraw/zinc/66/43/31/841664331.db2.gz WCOKLQIHAKWNFJ-UHFFFAOYSA-N 1 2 378.385 3.911 20 10 GHCDLO COc1c(O)c(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000279041260 842503557 /nfs/dbraw/zinc/50/35/57/842503557.db2.gz OOPNVTSQXIHURY-ZETCQYMHSA-N 1 2 377.344 3.635 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000058126758 856180168 /nfs/dbraw/zinc/18/01/68/856180168.db2.gz CBDRZGYVMOPIJM-LJQANCHMSA-N 1 2 381.520 3.770 20 10 GHCDLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)[C@@]12CCCO2 ZINC000760882759 856214717 /nfs/dbraw/zinc/21/47/17/856214717.db2.gz ZTYLRSZAPHTGEE-VWPGPWOISA-N 1 2 388.277 3.671 20 10 GHCDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001170442452 882555167 /nfs/dbraw/zinc/55/51/67/882555167.db2.gz DXOFXXRRFVPPGY-IBGZPJMESA-N 1 2 393.325 3.689 20 10 GHCDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001170442452 882555173 /nfs/dbraw/zinc/55/51/73/882555173.db2.gz DXOFXXRRFVPPGY-IBGZPJMESA-N 1 2 393.325 3.689 20 10 GHCDLO OCC[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775680985 872812897 /nfs/dbraw/zinc/81/28/97/872812897.db2.gz LQCBXHNTXDKNMK-SNVBAGLBSA-N 1 2 393.119 3.512 20 10 GHCDLO OCC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775680985 872812899 /nfs/dbraw/zinc/81/28/99/872812899.db2.gz LQCBXHNTXDKNMK-SNVBAGLBSA-N 1 2 393.119 3.512 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1O ZINC000767910172 872955926 /nfs/dbraw/zinc/95/59/26/872955926.db2.gz RHWPDRFUBIDGKH-INIZCTEOSA-N 1 2 379.806 3.774 20 10 GHCDLO COc1cc(O)c(C[NH+]2CC(OCc3cccc4ccccc43)C2)cc1OC ZINC000775735798 873302287 /nfs/dbraw/zinc/30/22/87/873302287.db2.gz XDECQBPQYQVGLO-UHFFFAOYSA-N 1 2 379.456 3.964 20 10 GHCDLO CCn1nc(CNCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c2ccccc21 ZINC000769909719 874335334 /nfs/dbraw/zinc/33/53/34/874335334.db2.gz DQEJNDQOFYMHOE-UHFFFAOYSA-N 1 2 395.526 3.627 20 10 GHCDLO CN(C)[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)c1cccc(F)c1 ZINC001198970079 874733623 /nfs/dbraw/zinc/73/36/23/874733623.db2.gz UDMUOYOQSFSMJM-INIZCTEOSA-N 1 2 385.252 3.825 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)CCc2cnccn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000771461259 875257407 /nfs/dbraw/zinc/25/74/07/875257407.db2.gz PMIFXSIRSBIYRO-UHFFFAOYSA-N 1 2 376.504 3.858 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)CCc2cnccn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000771461259 875257416 /nfs/dbraw/zinc/25/74/16/875257416.db2.gz PMIFXSIRSBIYRO-UHFFFAOYSA-N 1 2 376.504 3.858 20 10 GHCDLO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776175357 875693141 /nfs/dbraw/zinc/69/31/41/875693141.db2.gz ZJYAXZXRDLAZHO-XPTSAGLGSA-N 1 2 395.135 3.804 20 10 GHCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3cncc4ccccc43)CC2)c1O ZINC000788475338 878089549 /nfs/dbraw/zinc/08/95/49/878089549.db2.gz RGRBJNMTJKXKMN-UHFFFAOYSA-N 1 2 379.435 3.604 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)CC2=CCSC2)c(C)n1-c1ccc(Cl)cn1 ZINC000852747619 878577235 /nfs/dbraw/zinc/57/72/35/878577235.db2.gz QLZREBBOSRINPA-UHFFFAOYSA-N 1 2 375.925 3.930 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)CC2=CCSC2)c(C)n1-c1ccc(Cl)cn1 ZINC000852747619 878577247 /nfs/dbraw/zinc/57/72/47/878577247.db2.gz QLZREBBOSRINPA-UHFFFAOYSA-N 1 2 375.925 3.930 20 10 GHCDLO COc1ccc([C@@H]2C[N@H+](Cc3c(O)cccc3Br)CCO2)cc1 ZINC001183363973 912438881 /nfs/dbraw/zinc/43/88/81/912438881.db2.gz QJZZVPOHABHIPN-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1ccc([C@@H]2C[N@@H+](Cc3c(O)cccc3Br)CCO2)cc1 ZINC001183363973 912438888 /nfs/dbraw/zinc/43/88/88/912438888.db2.gz QJZZVPOHABHIPN-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792164508 880956294 /nfs/dbraw/zinc/95/62/94/880956294.db2.gz JVYYQEWNVHLLAG-ZDUSSCGKSA-N 1 2 381.810 3.720 20 10 GHCDLO Cc1cccc(C)c1-n1nnnc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000918770719 884330325 /nfs/dbraw/zinc/33/03/25/884330325.db2.gz JYGQVOQKOPYZCB-UHFFFAOYSA-N 1 2 378.524 3.756 20 10 GHCDLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000918770719 884330342 /nfs/dbraw/zinc/33/03/42/884330342.db2.gz JYGQVOQKOPYZCB-UHFFFAOYSA-N 1 2 378.524 3.756 20 10 GHCDLO CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1O ZINC000806138010 884358424 /nfs/dbraw/zinc/35/84/24/884358424.db2.gz QJSFCTRPVRXRQJ-QGZVFWFLSA-N 1 2 383.897 3.569 20 10 GHCDLO CC[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc(Cl)c1O ZINC000806129806 884387592 /nfs/dbraw/zinc/38/75/92/884387592.db2.gz KBCHMHBMQNWRTE-MRXNPFEDSA-N 1 2 393.915 3.731 20 10 GHCDLO COc1cc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2C)c(O)c(C(C)(C)C)c1 ZINC000863949769 887480137 /nfs/dbraw/zinc/48/01/37/887480137.db2.gz RTTNNQJNOSWTSP-HXUWFJFHSA-N 1 2 382.504 3.680 20 10 GHCDLO COc1cc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2C)c(O)c(C(C)(C)C)c1 ZINC000863949769 887480141 /nfs/dbraw/zinc/48/01/41/887480141.db2.gz RTTNNQJNOSWTSP-HXUWFJFHSA-N 1 2 382.504 3.680 20 10 GHCDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809723779 887749222 /nfs/dbraw/zinc/74/92/22/887749222.db2.gz ORTWJHUECTZPDB-AWEZNQCLSA-N 1 2 385.302 3.598 20 10 GHCDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809723779 887749235 /nfs/dbraw/zinc/74/92/35/887749235.db2.gz ORTWJHUECTZPDB-AWEZNQCLSA-N 1 2 385.302 3.598 20 10 GHCDLO COCc1nc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cs1 ZINC000810253313 888356455 /nfs/dbraw/zinc/35/64/55/888356455.db2.gz QQDDDBKQGGTEBU-QMMMGPOBSA-N 1 2 375.263 3.748 20 10 GHCDLO FC(F)C(F)(F)COc1cc(NCc2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC000811840657 890025113 /nfs/dbraw/zinc/02/51/13/890025113.db2.gz NSMOEAOKFMSMTC-UHFFFAOYSA-N 1 2 399.388 3.810 20 10 GHCDLO CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cccc(Cl)c1O ZINC000287613432 913445581 /nfs/dbraw/zinc/44/55/81/913445581.db2.gz JJGVKNUKCCGIMU-IBGZPJMESA-N 1 2 388.895 3.759 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(=O)C(C)C)CC2)c(C)n1-c1ccccc1C ZINC000917109983 891272502 /nfs/dbraw/zinc/27/25/02/891272502.db2.gz LGORNHRPEGLDIW-UHFFFAOYSA-N 1 2 395.547 3.822 20 10 GHCDLO CCOC(=O)c1csc(C[N@H+](CC)Cc2cc(Br)ccc2O)n1 ZINC000814625766 892978680 /nfs/dbraw/zinc/97/86/80/892978680.db2.gz UXYUIDUXUGRXPA-UHFFFAOYSA-N 1 2 399.310 3.810 20 10 GHCDLO CCOC(=O)c1csc(C[N@@H+](CC)Cc2cc(Br)ccc2O)n1 ZINC000814625766 892978685 /nfs/dbraw/zinc/97/86/85/892978685.db2.gz UXYUIDUXUGRXPA-UHFFFAOYSA-N 1 2 399.310 3.810 20 10 GHCDLO OC1CCN(c2ccc(C[N@H+](Cc3cc[nH]n3)Cc3ccccc3)cc2)CC1 ZINC000876687815 893289502 /nfs/dbraw/zinc/28/95/02/893289502.db2.gz SDSHDUICXKXNPI-UHFFFAOYSA-N 1 2 376.504 3.573 20 10 GHCDLO OC1CCN(c2ccc(C[N@@H+](Cc3cc[nH]n3)Cc3ccccc3)cc2)CC1 ZINC000876687815 893289516 /nfs/dbraw/zinc/28/95/16/893289516.db2.gz SDSHDUICXKXNPI-UHFFFAOYSA-N 1 2 376.504 3.573 20 10 GHCDLO OC1CCN(c2ccc(C[NH2+][C@@H](c3nccs3)c3ccccc3)cc2)CC1 ZINC000876993785 893423406 /nfs/dbraw/zinc/42/34/06/893423406.db2.gz QBXAUASLEKGQRO-OAQYLSRUSA-N 1 2 379.529 3.983 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)c1ccnn1C ZINC000877763171 893802019 /nfs/dbraw/zinc/80/20/19/893802019.db2.gz PNUCZWBDQQRXNK-QMMMGPOBSA-N 1 2 389.091 3.502 20 10 GHCDLO COC(=O)[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCC[C@H](OC)C1 ZINC000826142480 895511047 /nfs/dbraw/zinc/51/10/47/895511047.db2.gz CUIWTKUBKWPRQD-SIXWZSSISA-N 1 2 393.524 3.535 20 10 GHCDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428337 900137950 /nfs/dbraw/zinc/13/79/50/900137950.db2.gz JYWRURMUJYKNNZ-LLVKDONJSA-N 1 2 375.835 3.948 20 10 GHCDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428337 900137960 /nfs/dbraw/zinc/13/79/60/900137960.db2.gz JYWRURMUJYKNNZ-LLVKDONJSA-N 1 2 375.835 3.948 20 10 GHCDLO Oc1cc(F)c(Br)cc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001144292951 901622787 /nfs/dbraw/zinc/62/27/87/901622787.db2.gz KLIWIMKKAYPABA-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO CN1CC[NH+](CCCOc2ccc(NCc3cccc(Cl)c3O)cc2)CC1 ZINC000846049151 902636039 /nfs/dbraw/zinc/63/60/39/902636039.db2.gz AWMUIJAWUTYMFP-UHFFFAOYSA-N 1 2 389.927 3.674 20 10 GHCDLO C[NH+]1CCN(CCCOc2ccc(NCc3cccc(Cl)c3O)cc2)CC1 ZINC000846049151 902636048 /nfs/dbraw/zinc/63/60/48/902636048.db2.gz AWMUIJAWUTYMFP-UHFFFAOYSA-N 1 2 389.927 3.674 20 10 GHCDLO C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000773153692 904492903 /nfs/dbraw/zinc/49/29/03/904492903.db2.gz OZXLUOOJFVKQDM-QGZVFWFLSA-N 1 2 377.492 3.558 20 10 GHCDLO C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(N(C)C)cc1 ZINC000773631235 908486626 /nfs/dbraw/zinc/48/66/26/908486626.db2.gz XBWYAYLQJNZJOR-SFHVURJKSA-N 1 2 383.540 3.912 20 10 GHCDLO CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)C(F)(F)F ZINC001181072443 910545580 /nfs/dbraw/zinc/54/55/80/910545580.db2.gz HXOMGWMUPIHTRF-SNVBAGLBSA-N 1 2 376.600 3.553 20 10 GHCDLO CC[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)C(F)(F)F ZINC001181072443 910545589 /nfs/dbraw/zinc/54/55/89/910545589.db2.gz HXOMGWMUPIHTRF-SNVBAGLBSA-N 1 2 376.600 3.553 20 10 GHCDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(Br)c1O ZINC000093012627 912009891 /nfs/dbraw/zinc/00/98/91/912009891.db2.gz ATHKCSAGSHDHSK-UHFFFAOYSA-N 1 2 385.208 3.503 20 10 GHCDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(Br)c1O ZINC000093012627 912009912 /nfs/dbraw/zinc/00/99/12/912009912.db2.gz ATHKCSAGSHDHSK-UHFFFAOYSA-N 1 2 385.208 3.503 20 10 GHCDLO CCOCc1nc([C@H](C)[NH2+]Cc2ccc(OCc3ccccc3)cc2O)no1 ZINC000291582148 915260459 /nfs/dbraw/zinc/26/04/59/915260459.db2.gz PADJHMRRWFENIY-HNNXBMFYSA-N 1 2 383.448 3.742 20 10 GHCDLO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191231955 917867452 /nfs/dbraw/zinc/86/74/52/917867452.db2.gz DXELBIFBOREIRM-LSDHHAIUSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191231955 917867458 /nfs/dbraw/zinc/86/74/58/917867458.db2.gz DXELBIFBOREIRM-LSDHHAIUSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC001191486721 918017829 /nfs/dbraw/zinc/01/78/29/918017829.db2.gz SYVVAHYIGUMOJA-ILXRZTDVSA-N 1 2 376.456 3.519 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC001191486721 918017842 /nfs/dbraw/zinc/01/78/42/918017842.db2.gz SYVVAHYIGUMOJA-ILXRZTDVSA-N 1 2 376.456 3.519 20 10 GHCDLO CCCN(Cc1ccccc1O)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901054495 920815951 /nfs/dbraw/zinc/81/59/51/920815951.db2.gz ZCQYNUREXOZWOB-UHFFFAOYSA-N 1 2 378.476 3.753 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000749565665 927190912 /nfs/dbraw/zinc/19/09/12/927190912.db2.gz INBXCYXAHFNTIQ-UHFFFAOYSA-N 1 2 376.504 3.908 20 10 GHCDLO FC(F)Oc1ccc(N2CCC(Nc3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000758037901 929900462 /nfs/dbraw/zinc/90/04/62/929900462.db2.gz VPPBZWGNZYHHMC-UHFFFAOYSA-N 1 2 389.450 3.981 20 10 GHCDLO FC(F)Oc1ccc(N2CCC(Nc3cc(NCC4CC4)nc[nH+]3)CC2)cc1 ZINC000758037901 929900472 /nfs/dbraw/zinc/90/04/72/929900472.db2.gz VPPBZWGNZYHHMC-UHFFFAOYSA-N 1 2 389.450 3.981 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000781912344 931024790 /nfs/dbraw/zinc/02/47/90/931024790.db2.gz PGKFDYWUJFTQSP-KRWDZBQOSA-N 1 2 378.266 3.742 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000781912344 931024795 /nfs/dbraw/zinc/02/47/95/931024795.db2.gz PGKFDYWUJFTQSP-KRWDZBQOSA-N 1 2 378.266 3.742 20 10 GHCDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782998153 931381359 /nfs/dbraw/zinc/38/13/59/931381359.db2.gz BCAGZBMBLDEJBJ-UHFFFAOYSA-N 1 2 395.551 3.885 20 10 GHCDLO C[C@@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001226646647 1032060803 /nfs/dbraw/zinc/06/08/03/1032060803.db2.gz DKIZPNJGAXIZCF-DYESRHJHSA-N 1 2 377.492 3.751 20 10 GHCDLO CN(c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1)C1CCCCC1 ZINC001625905161 1014357706 /nfs/dbraw/zinc/35/77/06/1014357706.db2.gz KJIDXUJJHFIIQO-HSZRJFAPSA-N 1 2 399.579 3.715 20 10 GHCDLO CN(c1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1)C1CCCCC1 ZINC001625905161 1014357719 /nfs/dbraw/zinc/35/77/19/1014357719.db2.gz KJIDXUJJHFIIQO-HSZRJFAPSA-N 1 2 399.579 3.715 20 10 GHCDLO CC[N@@H+]1CCC[C@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227502899 1032443992 /nfs/dbraw/zinc/44/39/92/1032443992.db2.gz PNEFDEALZMSGLM-HNNXBMFYSA-N 1 2 381.428 3.734 20 10 GHCDLO CC[N@H+]1CCC[C@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227502899 1032443996 /nfs/dbraw/zinc/44/39/96/1032443996.db2.gz PNEFDEALZMSGLM-HNNXBMFYSA-N 1 2 381.428 3.734 20 10 GHCDLO CC[NH+](CC)C[C@@H](C)Oc1c(=O)c2ccc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001228365808 1032907846 /nfs/dbraw/zinc/90/78/46/1032907846.db2.gz OMPYOMRZNFYSLJ-CYBMUJFWSA-N 1 2 399.443 3.686 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cc(Br)cc(F)c1O ZINC000834826575 1021521245 /nfs/dbraw/zinc/52/12/45/1021521245.db2.gz FBZPZCGHFVRGIC-HZMBPMFUSA-N 1 2 386.236 3.687 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140462913 1021753750 /nfs/dbraw/zinc/75/37/50/1021753750.db2.gz NZVZXTOUEUHKHV-HXUWFJFHSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140462913 1021753763 /nfs/dbraw/zinc/75/37/63/1021753763.db2.gz NZVZXTOUEUHKHV-HXUWFJFHSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140462912 1021754591 /nfs/dbraw/zinc/75/45/91/1021754591.db2.gz NZVZXTOUEUHKHV-FQEVSTJZSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140462912 1021754606 /nfs/dbraw/zinc/75/46/06/1021754606.db2.gz NZVZXTOUEUHKHV-FQEVSTJZSA-N 1 2 396.915 3.648 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)c(Cl)c1 ZINC001140925280 1022902057 /nfs/dbraw/zinc/90/20/57/1022902057.db2.gz QVANEEOCUPIUSJ-UHFFFAOYSA-N 1 2 399.848 3.537 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140925492 1022902184 /nfs/dbraw/zinc/90/21/84/1022902184.db2.gz BXSHAPVSQLWPSC-LJQANCHMSA-N 1 2 385.911 3.845 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140925492 1022902188 /nfs/dbraw/zinc/90/21/88/1022902188.db2.gz BXSHAPVSQLWPSC-LJQANCHMSA-N 1 2 385.911 3.845 20 10 GHCDLO CCn1nnc2c1CC[N@H+](Cc1ccc(C)cc1O)[C@@H]2COCc1ccccc1 ZINC001140952247 1022980493 /nfs/dbraw/zinc/98/04/93/1022980493.db2.gz JYKAQINGZVOPPS-OAQYLSRUSA-N 1 2 392.503 3.628 20 10 GHCDLO CCn1nnc2c1CC[N@@H+](Cc1ccc(C)cc1O)[C@@H]2COCc1ccccc1 ZINC001140952247 1022980496 /nfs/dbraw/zinc/98/04/96/1022980496.db2.gz JYKAQINGZVOPPS-OAQYLSRUSA-N 1 2 392.503 3.628 20 10 GHCDLO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)c(F)cc1O ZINC000756396224 1023627540 /nfs/dbraw/zinc/62/75/40/1023627540.db2.gz IECFHCGWNQUYPX-LLVKDONJSA-N 1 2 397.292 3.505 20 10 GHCDLO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000756539241 1023704424 /nfs/dbraw/zinc/70/44/24/1023704424.db2.gz KUVYTCLBSGYUPJ-GWCFXTLKSA-N 1 2 396.256 3.957 20 10 GHCDLO CN1CCCc2cc(C[NH+]3CCN(C(=O)c4ccccc4Cl)CC3)ccc21 ZINC001138356979 1024721702 /nfs/dbraw/zinc/72/17/02/1024721702.db2.gz WXXYUNSUWBPCSJ-UHFFFAOYSA-N 1 2 383.923 3.680 20 10 GHCDLO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)[C@@H]1C ZINC001141373050 1024760678 /nfs/dbraw/zinc/76/06/78/1024760678.db2.gz KVBREJAJYJFRMY-BXKDBHETSA-N 1 2 376.678 3.582 20 10 GHCDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)[C@@H]1C ZINC001141373050 1024760691 /nfs/dbraw/zinc/76/06/91/1024760691.db2.gz KVBREJAJYJFRMY-BXKDBHETSA-N 1 2 376.678 3.582 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3OC)CC2)c(OC)c1 ZINC001138484106 1024914724 /nfs/dbraw/zinc/91/47/24/1024914724.db2.gz WMKYOKJZOJBXAT-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO FC(F)(F)c1ccc(OC2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC001138501303 1024935289 /nfs/dbraw/zinc/93/52/89/1024935289.db2.gz OHNLOEIUVAMZFI-UHFFFAOYSA-N 1 2 392.421 3.805 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(OC)c3Cl)CC2)c(C)c1 ZINC001139119011 1025930212 /nfs/dbraw/zinc/93/02/12/1025930212.db2.gz XTJAWCQMGZSUEU-UHFFFAOYSA-N 1 2 390.911 3.996 20 10 GHCDLO CCCc1noc([C@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130718 1025943560 /nfs/dbraw/zinc/94/35/60/1025943560.db2.gz HTVCCNUUNFSPRH-AWEZNQCLSA-N 1 2 383.448 3.522 20 10 GHCDLO CCCc1noc([C@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130718 1025943565 /nfs/dbraw/zinc/94/35/65/1025943565.db2.gz HTVCCNUUNFSPRH-AWEZNQCLSA-N 1 2 383.448 3.522 20 10 GHCDLO Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132816 1025944948 /nfs/dbraw/zinc/94/49/48/1025944948.db2.gz APHPKXCSSLMAQW-MRXNPFEDSA-N 1 2 380.444 3.554 20 10 GHCDLO Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132816 1025944953 /nfs/dbraw/zinc/94/49/53/1025944953.db2.gz APHPKXCSSLMAQW-MRXNPFEDSA-N 1 2 380.444 3.554 20 10 GHCDLO CCNC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)c1 ZINC001461078071 1069379062 /nfs/dbraw/zinc/37/90/62/1069379062.db2.gz GTCCUJTXPFRNFK-UHFFFAOYSA-N 1 2 397.700 3.848 20 10 GHCDLO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)cc1 ZINC000840809334 1027848342 /nfs/dbraw/zinc/84/83/42/1027848342.db2.gz RANJSICMJGFLPR-YPMHNXCESA-N 1 2 398.272 3.729 20 10 GHCDLO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CS1 ZINC000840957463 1027986379 /nfs/dbraw/zinc/98/63/79/1027986379.db2.gz BTBHSTQGUVHABG-XVKPBYJWSA-N 1 2 381.133 3.901 20 10 GHCDLO Cc1cc(F)cc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1F ZINC001217056603 1030128531 /nfs/dbraw/zinc/12/85/31/1030128531.db2.gz LSABPEJWWXAOEG-UHFFFAOYSA-N 1 2 387.386 3.528 20 10 GHCDLO CCCCN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944725 1030864469 /nfs/dbraw/zinc/86/44/69/1030864469.db2.gz WXYFNEOHPMHFMQ-SFHVURJKSA-N 1 2 399.304 3.518 20 10 GHCDLO CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944725 1030864491 /nfs/dbraw/zinc/86/44/91/1030864491.db2.gz WXYFNEOHPMHFMQ-SFHVURJKSA-N 1 2 399.304 3.518 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC001461728975 1069706601 /nfs/dbraw/zinc/70/66/01/1069706601.db2.gz LEUOFWWAFZMUBK-AWEZNQCLSA-N 1 2 388.664 3.640 20 10 GHCDLO CC(C)=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277387128 1033479133 /nfs/dbraw/zinc/47/91/33/1033479133.db2.gz GHDIUYVCRGWZRT-MRXNPFEDSA-N 1 2 380.891 3.869 20 10 GHCDLO COc1cc(Cl)cc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1O ZINC001205600588 1033487319 /nfs/dbraw/zinc/48/73/19/1033487319.db2.gz MNORSKMLIIXNSO-CHWSQXEVSA-N 1 2 377.872 3.675 20 10 GHCDLO C[C@H](C[NH+]1CCOCC1)OC1=CC(=O)C=CC1=NNc1ccc([N+](=O)[O-])cc1 ZINC001230208508 1033945365 /nfs/dbraw/zinc/94/53/65/1033945365.db2.gz OLLZFZGOKWEUAX-YYZBOFOMSA-N 1 2 386.408 3.815 20 10 GHCDLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O)Nc1ccccc1 ZINC001461885574 1069835562 /nfs/dbraw/zinc/83/55/62/1069835562.db2.gz FUUTVOBMDAWQGW-QGZVFWFLSA-N 1 2 375.419 3.847 20 10 GHCDLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O)Nc1ccccc1 ZINC001461885574 1069835591 /nfs/dbraw/zinc/83/55/91/1069835591.db2.gz FUUTVOBMDAWQGW-QGZVFWFLSA-N 1 2 375.419 3.847 20 10 GHCDLO CCN(CC)c1cc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)nc[nH+]1 ZINC001158871580 1034313497 /nfs/dbraw/zinc/31/34/97/1034313497.db2.gz NHQMCNFEGGRAFI-UHFFFAOYSA-N 1 2 395.429 3.548 20 10 GHCDLO CCN(CC)c1cc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)[nH+]cn1 ZINC001158871580 1034313519 /nfs/dbraw/zinc/31/35/19/1034313519.db2.gz NHQMCNFEGGRAFI-UHFFFAOYSA-N 1 2 395.429 3.548 20 10 GHCDLO COC(=O)c1c(C[NH2+]Cc2c(F)cc(C)cc2F)c2cc(F)ccc2n1C ZINC001207653589 1034512836 /nfs/dbraw/zinc/51/28/36/1034512836.db2.gz CRRXCLCWSXKGDL-UHFFFAOYSA-N 1 2 376.378 3.980 20 10 GHCDLO O=C1N(CC(F)F)CC[C@]12CCC[N@@H+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277509434 1034538862 /nfs/dbraw/zinc/53/88/62/1034538862.db2.gz GCTUGKHVJIWDRM-GOSISDBHSA-N 1 2 390.833 3.654 20 10 GHCDLO O=C1N(CC(F)F)CC[C@]12CCC[N@H+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277509434 1034538868 /nfs/dbraw/zinc/53/88/68/1034538868.db2.gz GCTUGKHVJIWDRM-GOSISDBHSA-N 1 2 390.833 3.654 20 10 GHCDLO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)cc(Br)c2O)C1=O ZINC001277541432 1034761261 /nfs/dbraw/zinc/76/12/61/1034761261.db2.gz XERRDJNEBGBBQB-LJQANCHMSA-N 1 2 395.341 3.830 20 10 GHCDLO CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(C)cc(Br)c2O)C1=O ZINC001277541432 1034761270 /nfs/dbraw/zinc/76/12/70/1034761270.db2.gz XERRDJNEBGBBQB-LJQANCHMSA-N 1 2 395.341 3.830 20 10 GHCDLO O=C1C[C@@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1cccc(Cl)c1O ZINC001231911952 1034986843 /nfs/dbraw/zinc/98/68/43/1034986843.db2.gz UFFGZRTUNXIIEX-OAQYLSRUSA-N 1 2 385.895 3.598 20 10 GHCDLO O=C1C[C@@]2(CN1Cc1cccnc1)CCCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001231911952 1034986848 /nfs/dbraw/zinc/98/68/48/1034986848.db2.gz UFFGZRTUNXIIEX-OAQYLSRUSA-N 1 2 385.895 3.598 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@H]2CCN2C(=O)OC(C)(C)C)C1 ZINC001208990756 1035139499 /nfs/dbraw/zinc/13/94/99/1035139499.db2.gz JDYWBDSZGNDWSA-OAHLLOKOSA-N 1 2 385.508 3.554 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@H]2CCN2C(=O)OC(C)(C)C)C1 ZINC001208990756 1035139506 /nfs/dbraw/zinc/13/95/06/1035139506.db2.gz JDYWBDSZGNDWSA-OAHLLOKOSA-N 1 2 385.508 3.554 20 10 GHCDLO Fc1ccccc1N1CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232202673 1035158735 /nfs/dbraw/zinc/15/87/35/1035158735.db2.gz DWBXHUNEOGYNNF-UHFFFAOYSA-N 1 2 389.902 3.638 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)Cc2nnn(CC)c21 ZINC001209516982 1035300220 /nfs/dbraw/zinc/30/02/20/1035300220.db2.gz VQZLWPVTFLVCRB-HXUWFJFHSA-N 1 2 393.535 3.841 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)Cc2nnn(CC)c21 ZINC001209516982 1035300227 /nfs/dbraw/zinc/30/02/27/1035300227.db2.gz VQZLWPVTFLVCRB-HXUWFJFHSA-N 1 2 393.535 3.841 20 10 GHCDLO COC(=O)c1c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2cc(F)ccc2n1C ZINC001462012872 1069944703 /nfs/dbraw/zinc/94/47/03/1069944703.db2.gz GGNVUEAGPWJPAU-UHFFFAOYSA-N 1 2 399.441 3.565 20 10 GHCDLO COc1cc(I)cc(C[N@@H+]2Cc3cccc(C)c3C2)c1O ZINC001248391658 1035802429 /nfs/dbraw/zinc/80/24/29/1035802429.db2.gz WGRRXNSCBJDZNU-UHFFFAOYSA-N 1 2 395.240 3.830 20 10 GHCDLO COc1cc(I)cc(C[N@H+]2Cc3cccc(C)c3C2)c1O ZINC001248391658 1035802450 /nfs/dbraw/zinc/80/24/50/1035802450.db2.gz WGRRXNSCBJDZNU-UHFFFAOYSA-N 1 2 395.240 3.830 20 10 GHCDLO COC(=O)c1c(C[N@H+](C)Cc2ccc(Cl)nc2)c2cc(F)ccc2n1C ZINC001462038404 1069961334 /nfs/dbraw/zinc/96/13/34/1069961334.db2.gz YWBWDWZLDACKTD-UHFFFAOYSA-N 1 2 375.831 3.784 20 10 GHCDLO COC(=O)c1c(C[N@@H+](C)Cc2ccc(Cl)nc2)c2cc(F)ccc2n1C ZINC001462038404 1069961337 /nfs/dbraw/zinc/96/13/37/1069961337.db2.gz YWBWDWZLDACKTD-UHFFFAOYSA-N 1 2 375.831 3.784 20 10 GHCDLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001462205565 1070082468 /nfs/dbraw/zinc/08/24/68/1070082468.db2.gz HMKQHUZIWDUZOZ-UHFFFAOYSA-N 1 2 399.539 3.999 20 10 GHCDLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001462205565 1070082481 /nfs/dbraw/zinc/08/24/81/1070082481.db2.gz HMKQHUZIWDUZOZ-UHFFFAOYSA-N 1 2 399.539 3.999 20 10 GHCDLO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232257522 1037979659 /nfs/dbraw/zinc/97/96/59/1037979659.db2.gz GHYSREKKMANSAC-HNNXBMFYSA-N 1 2 384.904 3.829 20 10 GHCDLO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232257522 1037979662 /nfs/dbraw/zinc/97/96/62/1037979662.db2.gz GHYSREKKMANSAC-HNNXBMFYSA-N 1 2 384.904 3.829 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001233027214 1038779335 /nfs/dbraw/zinc/77/93/35/1038779335.db2.gz NFFQZCGXIYATCT-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001233027214 1038779350 /nfs/dbraw/zinc/77/93/50/1038779350.db2.gz NFFQZCGXIYATCT-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO CC(=O)N(C(C)C)C1CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233029619 1038780422 /nfs/dbraw/zinc/78/04/22/1038780422.db2.gz GGFZJZRTLOGFLU-UHFFFAOYSA-N 1 2 387.293 3.515 20 10 GHCDLO Oc1cc(Br)cc(F)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001233027919 1038781072 /nfs/dbraw/zinc/78/10/72/1038781072.db2.gz GKQOBRAJBFWECB-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO O=C([C@@H]1CCC[N@@H+](Cc2c(O)cc(Br)cc2F)C1)N1CCCCC1 ZINC001233030712 1038783021 /nfs/dbraw/zinc/78/30/21/1038783021.db2.gz LAURWSCCQQEHJU-CYBMUJFWSA-N 1 2 399.304 3.518 20 10 GHCDLO O=C([C@@H]1CCC[N@H+](Cc2c(O)cc(Br)cc2F)C1)N1CCCCC1 ZINC001233030712 1038783035 /nfs/dbraw/zinc/78/30/35/1038783035.db2.gz LAURWSCCQQEHJU-CYBMUJFWSA-N 1 2 399.304 3.518 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC001233294346 1039083292 /nfs/dbraw/zinc/08/32/92/1039083292.db2.gz GXADPINSOYBFIT-UHFFFAOYSA-N 1 2 389.455 3.705 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC001233294346 1039083311 /nfs/dbraw/zinc/08/33/11/1039083311.db2.gz GXADPINSOYBFIT-UHFFFAOYSA-N 1 2 389.455 3.705 20 10 GHCDLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233418444 1039279876 /nfs/dbraw/zinc/27/98/76/1039279876.db2.gz HMFBXQNLDZDOAP-UHFFFAOYSA-N 1 2 386.414 3.900 20 10 GHCDLO CN(CC[N@H+](C)Cc1cc(Br)cc(F)c1O)C(=O)OC(C)(C)C ZINC001235057827 1040547684 /nfs/dbraw/zinc/54/76/84/1040547684.db2.gz UGKCRLLBVFABSF-UHFFFAOYSA-N 1 2 391.281 3.593 20 10 GHCDLO CN(CC[N@@H+](C)Cc1cc(Br)cc(F)c1O)C(=O)OC(C)(C)C ZINC001235057827 1040547689 /nfs/dbraw/zinc/54/76/89/1040547689.db2.gz UGKCRLLBVFABSF-UHFFFAOYSA-N 1 2 391.281 3.593 20 10 GHCDLO CC(=O)N1CCCCC12CC[NH+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001235300817 1040771644 /nfs/dbraw/zinc/77/16/44/1040771644.db2.gz BYPVKJHSSFVGCM-UHFFFAOYSA-N 1 2 399.304 3.661 20 10 GHCDLO Oc1c(Br)cc(F)cc1CN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001235304152 1040778591 /nfs/dbraw/zinc/77/85/91/1040778591.db2.gz RZCMBTMBWSIFJJ-UHFFFAOYSA-N 1 2 391.284 3.754 20 10 GHCDLO Oc1c(Br)cc(F)cc1CN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001235304152 1040778609 /nfs/dbraw/zinc/77/86/09/1040778609.db2.gz RZCMBTMBWSIFJJ-UHFFFAOYSA-N 1 2 391.284 3.754 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001235310044 1040783481 /nfs/dbraw/zinc/78/34/81/1040783481.db2.gz ZTOHYFUMWLTDIE-GJZGRUSLSA-N 1 2 391.284 3.862 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001236662844 1041811194 /nfs/dbraw/zinc/81/11/94/1041811194.db2.gz IPMCJSUOFDRQBM-UHFFFAOYSA-N 1 2 399.329 3.762 20 10 GHCDLO COc1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(O)cc1Br ZINC001236755542 1041874186 /nfs/dbraw/zinc/87/41/86/1041874186.db2.gz FBSQNZOVZLHSHY-INIZCTEOSA-N 1 2 392.293 3.607 20 10 GHCDLO COc1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c(O)cc1Br ZINC001236755542 1041874193 /nfs/dbraw/zinc/87/41/93/1041874193.db2.gz FBSQNZOVZLHSHY-INIZCTEOSA-N 1 2 392.293 3.607 20 10 GHCDLO O=C1C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CCN1C1CCCC1 ZINC001236785421 1041891476 /nfs/dbraw/zinc/89/14/76/1041891476.db2.gz MGVDHBQIAQTISB-UHFFFAOYSA-N 1 2 380.488 3.558 20 10 GHCDLO O=C1C[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CCN1C1CCCC1 ZINC001236785421 1041891480 /nfs/dbraw/zinc/89/14/80/1041891480.db2.gz MGVDHBQIAQTISB-UHFFFAOYSA-N 1 2 380.488 3.558 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001236790470 1041895859 /nfs/dbraw/zinc/89/58/59/1041895859.db2.gz OTUGVRWADONRHO-WDSOQIARSA-N 1 2 395.286 3.905 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001236790470 1041895865 /nfs/dbraw/zinc/89/58/65/1041895865.db2.gz OTUGVRWADONRHO-WDSOQIARSA-N 1 2 395.286 3.905 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(O)c1Cl ZINC001236801639 1041904304 /nfs/dbraw/zinc/90/43/04/1041904304.db2.gz LENICHIAAIEECR-KBPBESRZSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(O)c1Cl ZINC001236801639 1041904309 /nfs/dbraw/zinc/90/43/09/1041904309.db2.gz LENICHIAAIEECR-KBPBESRZSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c(O)c1Cl ZINC001236803620 1041905625 /nfs/dbraw/zinc/90/56/25/1041905625.db2.gz INZKLVFSTVXDFY-ZFWWWQNUSA-N 1 2 393.940 3.607 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c(O)c1Cl ZINC001236803620 1041905627 /nfs/dbraw/zinc/90/56/27/1041905627.db2.gz INZKLVFSTVXDFY-ZFWWWQNUSA-N 1 2 393.940 3.607 20 10 GHCDLO COc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c(O)c1Cl ZINC001236810564 1041910707 /nfs/dbraw/zinc/91/07/07/1041910707.db2.gz UGKAREXULWVNAH-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO COc1ccc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c(O)c1Cl ZINC001236812468 1041912111 /nfs/dbraw/zinc/91/21/11/1041912111.db2.gz WSORMXJDHSLAST-UHFFFAOYSA-N 1 2 384.263 3.541 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001237618773 1042284963 /nfs/dbraw/zinc/28/49/63/1042284963.db2.gz KUSHINBSVRGWLT-OXQOHEQNSA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001237618773 1042284971 /nfs/dbraw/zinc/28/49/71/1042284971.db2.gz KUSHINBSVRGWLT-OXQOHEQNSA-N 1 2 392.858 3.782 20 10 GHCDLO COc1cc(C[N@@H+]2CCOc3ccc(Br)cc3C2)c(O)c(OC)c1 ZINC001237685843 1042325827 /nfs/dbraw/zinc/32/58/27/1042325827.db2.gz UZLJIOWCAKKSIR-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO COc1cc(C[N@H+]2CCOc3ccc(Br)cc3C2)c(O)c(OC)c1 ZINC001237685843 1042325832 /nfs/dbraw/zinc/32/58/32/1042325832.db2.gz UZLJIOWCAKKSIR-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO Cc1cccc(CC[N@@H+](C)Cc2cccc(I)c2O)c1 ZINC001237781536 1042366185 /nfs/dbraw/zinc/36/61/85/1042366185.db2.gz XMGZKULYRAVXOX-UHFFFAOYSA-N 1 2 381.257 3.980 20 10 GHCDLO Cc1cccc(CC[N@H+](C)Cc2cccc(I)c2O)c1 ZINC001237781536 1042366187 /nfs/dbraw/zinc/36/61/87/1042366187.db2.gz XMGZKULYRAVXOX-UHFFFAOYSA-N 1 2 381.257 3.980 20 10 GHCDLO C[C@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@H]1O ZINC001237784069 1042367489 /nfs/dbraw/zinc/36/74/89/1042367489.db2.gz PEUTYPBTNFUGOV-ZANVPECISA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@H]1O ZINC001237784069 1042367496 /nfs/dbraw/zinc/36/74/96/1042367496.db2.gz PEUTYPBTNFUGOV-ZANVPECISA-N 1 2 382.220 3.766 20 10 GHCDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237791878 1042372798 /nfs/dbraw/zinc/37/27/98/1042372798.db2.gz MZWXEGZHHSQDDO-NSHDSACASA-N 1 2 396.203 3.701 20 10 GHCDLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237791878 1042372801 /nfs/dbraw/zinc/37/28/01/1042372801.db2.gz MZWXEGZHHSQDDO-NSHDSACASA-N 1 2 396.203 3.701 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001237799314 1042376862 /nfs/dbraw/zinc/37/68/62/1042376862.db2.gz FZMYRCPOKRPXLY-UHFFFAOYSA-N 1 2 390.890 3.857 20 10 GHCDLO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(F)cc(Cl)c1O ZINC001237806228 1042380089 /nfs/dbraw/zinc/38/00/89/1042380089.db2.gz RNEKMACSVSPOEO-OAHLLOKOSA-N 1 2 375.868 3.755 20 10 GHCDLO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(F)cc(Cl)c1O ZINC001237806228 1042380090 /nfs/dbraw/zinc/38/00/90/1042380090.db2.gz RNEKMACSVSPOEO-OAHLLOKOSA-N 1 2 375.868 3.755 20 10 GHCDLO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]21 ZINC001237812874 1042381513 /nfs/dbraw/zinc/38/15/13/1042381513.db2.gz IIVIRBUZDHLPJJ-SCLBCKFNSA-N 1 2 392.833 3.670 20 10 GHCDLO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]21 ZINC001237812874 1042381517 /nfs/dbraw/zinc/38/15/17/1042381517.db2.gz IIVIRBUZDHLPJJ-SCLBCKFNSA-N 1 2 392.833 3.670 20 10 GHCDLO Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)o2)cc1 ZINC001257341979 1043968985 /nfs/dbraw/zinc/96/89/85/1043968985.db2.gz OWNBVMGLKBRZAY-VQTJNVASSA-N 1 2 391.471 3.854 20 10 GHCDLO CCCN(Cc1ccccc1O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000727170772 1048236057 /nfs/dbraw/zinc/23/60/57/1048236057.db2.gz YICHLLUGCRKGMX-UHFFFAOYSA-N 1 2 380.404 3.539 20 10 GHCDLO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001307712675 1049527488 /nfs/dbraw/zinc/52/74/88/1049527488.db2.gz JSOLNZQWGXCUTA-LIRRHRJNSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001307712675 1049527503 /nfs/dbraw/zinc/52/75/03/1049527503.db2.gz JSOLNZQWGXCUTA-LIRRHRJNSA-N 1 2 376.456 3.521 20 10 GHCDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001308665118 1050052681 /nfs/dbraw/zinc/05/26/81/1050052681.db2.gz XCKFQXQYBQNHCR-LBPRGKRZSA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001308665118 1050052684 /nfs/dbraw/zinc/05/26/84/1050052684.db2.gz XCKFQXQYBQNHCR-LBPRGKRZSA-N 1 2 388.277 3.848 20 10 GHCDLO OC1CCN(c2ccc(C[NH2+]Cc3csc(C(F)(F)F)n3)cc2F)CC1 ZINC001342896790 1053420841 /nfs/dbraw/zinc/42/08/41/1053420841.db2.gz FPPSVGCRYGNACH-UHFFFAOYSA-N 1 2 389.418 3.552 20 10 GHCDLO CN(C)c1ccc(CN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C2CC2)cc1 ZINC001479141401 1079120543 /nfs/dbraw/zinc/12/05/43/1079120543.db2.gz HVLJJTLTVSKOIB-JOCHJYFZSA-N 1 2 378.520 3.613 20 10 GHCDLO CN(C)c1ccc(CN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C2CC2)cc1 ZINC001479141401 1079120544 /nfs/dbraw/zinc/12/05/44/1079120544.db2.gz HVLJJTLTVSKOIB-JOCHJYFZSA-N 1 2 378.520 3.613 20 10 GHCDLO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@@H]1C ZINC001473403250 1073951039 /nfs/dbraw/zinc/95/10/39/1073951039.db2.gz SYSUNZOLRIFIFA-BZUAXINKSA-N 1 2 390.483 3.909 20 10 GHCDLO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@@H]1C ZINC001473403250 1073951042 /nfs/dbraw/zinc/95/10/42/1073951042.db2.gz SYSUNZOLRIFIFA-BZUAXINKSA-N 1 2 390.483 3.909 20 10 GHCDLO CCOC(=O)C[N@H+](CCSc1ccc(F)cc1F)Cc1ccccc1O ZINC001473572264 1074022790 /nfs/dbraw/zinc/02/27/90/1074022790.db2.gz HJGBVBMKFVPYCP-UHFFFAOYSA-N 1 2 381.444 3.828 20 10 GHCDLO CCOC(=O)C[N@@H+](CCSc1ccc(F)cc1F)Cc1ccccc1O ZINC001473572264 1074022800 /nfs/dbraw/zinc/02/28/00/1074022800.db2.gz HJGBVBMKFVPYCP-UHFFFAOYSA-N 1 2 381.444 3.828 20 10 GHCDLO Cc1cc(CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)n1-c1ccccc1 ZINC000728742959 838829393 /nfs/dbraw/zinc/82/93/93/838829393.db2.gz BQCJYQHFFOKPDC-UHFFFAOYSA-N 1 2 391.519 3.880 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)NCCCNc3cccc[nH+]3)cc2)CC1 ZINC000731049694 861417716 /nfs/dbraw/zinc/41/77/16/861417716.db2.gz KQIMUHHKMWUESC-UHFFFAOYSA-N 1 2 381.524 3.619 20 10 GHCDLO O=C1/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1CCc1ccccn1 ZINC000171142760 861629062 /nfs/dbraw/zinc/62/90/62/861629062.db2.gz VOWDJWHVONWSAJ-QGOAFFKASA-N 1 2 392.509 3.711 20 10 GHCDLO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1cccnc1 ZINC000894857697 853226743 /nfs/dbraw/zinc/22/67/43/853226743.db2.gz PXKGDTSLLBQJAH-INIZCTEOSA-N 1 2 383.261 3.538 20 10 GHCDLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764810517 859625990 /nfs/dbraw/zinc/62/59/90/859625990.db2.gz RTZPDNBXSDEGFR-HTAPYJJXSA-N 1 2 394.494 3.836 20 10 GHCDLO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715789178 859665007 /nfs/dbraw/zinc/66/50/07/859665007.db2.gz NQYZPSUGHNJVFF-UHFFFAOYSA-N 1 2 391.281 3.688 20 10 GHCDLO CN(C)c1nc(C[NH2+]Cc2ccc(N(C)C)cc2)c(Cl)n1-c1ccccc1 ZINC000727642737 860173736 /nfs/dbraw/zinc/17/37/36/860173736.db2.gz HTLUWMZCUKYCGK-UHFFFAOYSA-N 1 2 383.927 3.948 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000792787987 881666303 /nfs/dbraw/zinc/66/63/03/881666303.db2.gz LXZWJXPBAFZSNT-IBGZPJMESA-N 1 2 391.437 3.835 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000792787987 881666313 /nfs/dbraw/zinc/66/63/13/881666313.db2.gz LXZWJXPBAFZSNT-IBGZPJMESA-N 1 2 391.437 3.835 20 10 GHCDLO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000896945819 864116464 /nfs/dbraw/zinc/11/64/64/864116464.db2.gz BNIPEMKRMGPQLJ-CQSZACIVSA-N 1 2 376.403 3.530 20 10 GHCDLO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000896945819 864116469 /nfs/dbraw/zinc/11/64/69/864116469.db2.gz BNIPEMKRMGPQLJ-CQSZACIVSA-N 1 2 376.403 3.530 20 10 GHCDLO COCCn1c[nH+]cc1CNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279062 872304265 /nfs/dbraw/zinc/30/42/65/872304265.db2.gz LXXURIWNDRCLAJ-WCWDXBQESA-N 1 2 379.420 3.581 20 10 GHCDLO CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1O)C[C@@H](C)O ZINC000775680207 872811639 /nfs/dbraw/zinc/81/16/39/872811639.db2.gz DEVCEAVSYGPJEU-SECBINFHSA-N 1 2 381.108 3.508 20 10 GHCDLO CC(C)[N@H+](Cc1cc(Br)cc(Br)c1O)C[C@@H](C)O ZINC000775680207 872811646 /nfs/dbraw/zinc/81/16/46/872811646.db2.gz DEVCEAVSYGPJEU-SECBINFHSA-N 1 2 381.108 3.508 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(C)n1-c1cccc(F)c1 ZINC000767913973 872932124 /nfs/dbraw/zinc/93/21/24/872932124.db2.gz VVJJZVXQWMFWJU-CTNGQTDRSA-N 1 2 388.508 3.622 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)c(C)n1-c1cccc(F)c1 ZINC000767913973 872932132 /nfs/dbraw/zinc/93/21/32/872932132.db2.gz VVJJZVXQWMFWJU-CTNGQTDRSA-N 1 2 388.508 3.622 20 10 GHCDLO C[C@@](O)(C1CC[NH+](Cc2cccc(Br)c2O)CC1)C(F)(F)F ZINC000768531364 873365390 /nfs/dbraw/zinc/36/53/90/873365390.db2.gz CMHQEWUIGIGZHJ-CQSZACIVSA-N 1 2 382.220 3.680 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(N3CCCC3=O)CC2)c(C)n1-c1cccc(F)c1 ZINC000104729068 874691994 /nfs/dbraw/zinc/69/19/94/874691994.db2.gz NEVYBKHRKDEABD-UHFFFAOYSA-N 1 2 397.494 3.503 20 10 GHCDLO CN1C(=O)C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000776252384 876032865 /nfs/dbraw/zinc/03/28/65/876032865.db2.gz SQSSNCXJZWUJDR-RDJZCZTQSA-N 1 2 383.250 3.900 20 10 GHCDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787334344 877324445 /nfs/dbraw/zinc/32/44/45/877324445.db2.gz INCOETXVGXFVKZ-ZRCAFCQKSA-N 1 2 391.475 3.626 20 10 GHCDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787334344 877324457 /nfs/dbraw/zinc/32/44/57/877324457.db2.gz INCOETXVGXFVKZ-ZRCAFCQKSA-N 1 2 391.475 3.626 20 10 GHCDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCCN1Cc1ccc(F)cc1F ZINC000787438641 877402677 /nfs/dbraw/zinc/40/26/77/877402677.db2.gz SEOYCZJGNVFECD-KRWDZBQOSA-N 1 2 398.812 3.744 20 10 GHCDLO COC(=O)NC1CC[NH+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000852768665 878587156 /nfs/dbraw/zinc/58/71/56/878587156.db2.gz YAHNUVCCBYEUPV-UHFFFAOYSA-N 1 2 395.463 3.861 20 10 GHCDLO O=C(CCC[NH2+]Cc1cccc(Br)c1O)N1CCc2ccccc21 ZINC000111409371 879126573 /nfs/dbraw/zinc/12/65/73/879126573.db2.gz WWGLXOFVZCWFDN-UHFFFAOYSA-N 1 2 389.293 3.614 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC000776690787 879250584 /nfs/dbraw/zinc/25/05/84/879250584.db2.gz HQPSEMQTKIBGMD-KRWDZBQOSA-N 1 2 392.293 3.607 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC000776690787 879250602 /nfs/dbraw/zinc/25/06/02/879250602.db2.gz HQPSEMQTKIBGMD-KRWDZBQOSA-N 1 2 392.293 3.607 20 10 GHCDLO O=C(C[N@@H+]1CC[C@H](n2cncn2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000776879510 881035769 /nfs/dbraw/zinc/03/57/69/881035769.db2.gz SQUCGGPKUNAIJB-IBGZPJMESA-N 1 2 375.436 3.579 20 10 GHCDLO O=C(C[N@H+]1CC[C@H](n2cncn2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000776879510 881035788 /nfs/dbraw/zinc/03/57/88/881035788.db2.gz SQUCGGPKUNAIJB-IBGZPJMESA-N 1 2 375.436 3.579 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cc(Br)cc(F)c1O ZINC000858478697 883130216 /nfs/dbraw/zinc/13/02/16/883130216.db2.gz AHJYQJMLCPHOJK-MWLCHTKSSA-N 1 2 381.236 3.674 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cc(Br)cc(F)c1O ZINC000858478698 883130436 /nfs/dbraw/zinc/13/04/36/883130436.db2.gz AHJYQJMLCPHOJK-ONGXEEELSA-N 1 2 381.236 3.674 20 10 GHCDLO Cc1cc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)c(C)n1-c1ccccc1 ZINC000858802230 883366213 /nfs/dbraw/zinc/36/62/13/883366213.db2.gz FXIFFOPFYLIDIY-OALUTQOASA-N 1 2 391.519 3.703 20 10 GHCDLO Cc1cc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)c(C)n1-c1ccccc1 ZINC000858802230 883366228 /nfs/dbraw/zinc/36/62/28/883366228.db2.gz FXIFFOPFYLIDIY-OALUTQOASA-N 1 2 391.519 3.703 20 10 GHCDLO Cc1cc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(C)n1-c1cccc(C)c1 ZINC000858904929 883444091 /nfs/dbraw/zinc/44/40/91/883444091.db2.gz CRUMAHZMMOLAOM-LJQANCHMSA-N 1 2 391.519 3.835 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C)n1-c1ccccc1C ZINC000859885252 884148324 /nfs/dbraw/zinc/14/83/24/884148324.db2.gz OJIGNGDGXJFDIH-RYTUXRKISA-N 1 2 384.545 3.571 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C)n1-c1ccccc1C ZINC000859885252 884148328 /nfs/dbraw/zinc/14/83/28/884148328.db2.gz OJIGNGDGXJFDIH-RYTUXRKISA-N 1 2 384.545 3.571 20 10 GHCDLO CC[C@@H]([NH2+]C[C@@H](CO)Cc1cc(OC)cc(OC)c1)c1cccc(Cl)c1O ZINC000806141047 884400205 /nfs/dbraw/zinc/40/02/05/884400205.db2.gz FCQUPCDHRQZFPI-MGPUTAFESA-N 1 2 393.911 3.955 20 10 GHCDLO OC[C@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccc(Br)cc1 ZINC000763440300 886067354 /nfs/dbraw/zinc/06/73/54/886067354.db2.gz AYTNRPYNXFNZRM-ZDUSSCGKSA-N 1 2 384.701 3.749 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000862529829 886432674 /nfs/dbraw/zinc/43/26/74/886432674.db2.gz OSTSAYXCPQRGPN-YPMHNXCESA-N 1 2 391.103 3.574 20 10 GHCDLO CN(C)c1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000119740804 887483320 /nfs/dbraw/zinc/48/33/20/887483320.db2.gz SKBXVPJYSVQVDM-UHFFFAOYSA-N 1 2 386.297 3.590 20 10 GHCDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)c1C ZINC000809687758 887707832 /nfs/dbraw/zinc/70/78/32/887707832.db2.gz QDPCETZGRFGMCG-UHFFFAOYSA-N 1 2 377.872 3.564 20 10 GHCDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)ccc1N1CCCCC1 ZINC000809789967 887843770 /nfs/dbraw/zinc/84/37/70/887843770.db2.gz PZPZTFVHGYPYMJ-UHFFFAOYSA-N 1 2 395.459 3.959 20 10 GHCDLO O=[N+]([O-])c1cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)ccc1N1CCCCC1 ZINC000809789967 887843784 /nfs/dbraw/zinc/84/37/84/887843784.db2.gz PZPZTFVHGYPYMJ-UHFFFAOYSA-N 1 2 395.459 3.959 20 10 GHCDLO CC[N@H+](Cc1cc(Br)cc(Br)c1O)[C@H]1CCOC1 ZINC000812781097 890962216 /nfs/dbraw/zinc/96/22/16/890962216.db2.gz ZSZNROJHMYWWKJ-NSHDSACASA-N 1 2 379.092 3.528 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@H]1CCOC1 ZINC000812781097 890962231 /nfs/dbraw/zinc/96/22/31/890962231.db2.gz ZSZNROJHMYWWKJ-NSHDSACASA-N 1 2 379.092 3.528 20 10 GHCDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000876208119 893016766 /nfs/dbraw/zinc/01/67/66/893016766.db2.gz LGIASSCPHQMJQN-OAQYLSRUSA-N 1 2 391.471 3.884 20 10 GHCDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000876208119 893016786 /nfs/dbraw/zinc/01/67/86/893016786.db2.gz LGIASSCPHQMJQN-OAQYLSRUSA-N 1 2 391.471 3.884 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000882886704 897077699 /nfs/dbraw/zinc/07/76/99/897077699.db2.gz IDHHCAGWKNRGHO-UHFFFAOYSA-N 1 2 380.261 3.579 20 10 GHCDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883004703 897200382 /nfs/dbraw/zinc/20/03/82/897200382.db2.gz SFUOCIQJCYLXQT-AWEZNQCLSA-N 1 2 386.673 3.640 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)CC1 ZINC000108583838 898389809 /nfs/dbraw/zinc/38/98/09/898389809.db2.gz FELAVOGTGVBIAT-UHFFFAOYSA-N 1 2 381.524 3.666 20 10 GHCDLO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000824636230 899730465 /nfs/dbraw/zinc/73/04/65/899730465.db2.gz MRACAGXQKVWGFM-RNCFNFMXSA-N 1 2 393.119 3.510 20 10 GHCDLO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000824636230 899730477 /nfs/dbraw/zinc/73/04/77/899730477.db2.gz MRACAGXQKVWGFM-RNCFNFMXSA-N 1 2 393.119 3.510 20 10 GHCDLO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000824625065 899746253 /nfs/dbraw/zinc/74/62/53/899746253.db2.gz DWOCLYIBXOTCHQ-NSHDSACASA-N 1 2 379.092 3.574 20 10 GHCDLO C[C@H](CC(C)(C)O)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000824696269 899771510 /nfs/dbraw/zinc/77/15/10/899771510.db2.gz JMJSECMYAXAKSQ-MRVPVSSYSA-N 1 2 381.108 3.556 20 10 GHCDLO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824934109 899895520 /nfs/dbraw/zinc/89/55/20/899895520.db2.gz PUERMCOUKLBOBX-VQIMIIECSA-N 1 2 389.492 3.616 20 10 GHCDLO COc1cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824934109 899895525 /nfs/dbraw/zinc/89/55/25/899895525.db2.gz PUERMCOUKLBOBX-VQIMIIECSA-N 1 2 389.492 3.616 20 10 GHCDLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000825275404 900087519 /nfs/dbraw/zinc/08/75/19/900087519.db2.gz LGLXVNRJXCCBGG-UHFFFAOYSA-N 1 2 398.818 3.750 20 10 GHCDLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000825275404 900087524 /nfs/dbraw/zinc/08/75/24/900087524.db2.gz LGLXVNRJXCCBGG-UHFFFAOYSA-N 1 2 398.818 3.750 20 10 GHCDLO O=C(C1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1)N1CCCCC1 ZINC001144299678 901649247 /nfs/dbraw/zinc/64/92/47/901649247.db2.gz FZCKVKGYCRCCOV-UHFFFAOYSA-N 1 2 399.304 3.518 20 10 GHCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCn3c(Cc4cccc(F)c4)nnc3C2)cc1 ZINC000845999675 902580150 /nfs/dbraw/zinc/58/01/50/902580150.db2.gz YJGMYRGIJYRVNF-GQCTYLIASA-N 1 2 391.494 3.603 20 10 GHCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCn3c(Cc4cccc(F)c4)nnc3C2)cc1 ZINC000845999675 902580155 /nfs/dbraw/zinc/58/01/55/902580155.db2.gz YJGMYRGIJYRVNF-GQCTYLIASA-N 1 2 391.494 3.603 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000264514786 903161889 /nfs/dbraw/zinc/16/18/89/903161889.db2.gz GKIPBWCHOIPIJL-LJQANCHMSA-N 1 2 381.524 3.735 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)cc1F ZINC000159889984 904287941 /nfs/dbraw/zinc/28/79/41/904287941.db2.gz YBOGIJRDDROOHC-UHFFFAOYSA-N 1 2 382.483 3.931 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)cc1F ZINC000159889984 904287952 /nfs/dbraw/zinc/28/79/52/904287952.db2.gz YBOGIJRDDROOHC-UHFFFAOYSA-N 1 2 382.483 3.931 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]Cc1ncc(Br)s1 ZINC000714912676 904531636 /nfs/dbraw/zinc/53/16/36/904531636.db2.gz KSSPXZTWKKGEOR-UHFFFAOYSA-N 1 2 378.089 3.664 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000715092489 904542456 /nfs/dbraw/zinc/54/24/56/904542456.db2.gz HPSXECRFYKJNPH-BJHJDKERSA-N 1 2 385.302 3.548 20 10 GHCDLO Cc1nc(C[NH2+]Cc2cc(Br)cc(F)c2O)nc2ccccc12 ZINC001177607796 908665981 /nfs/dbraw/zinc/66/59/81/908665981.db2.gz ASYLJYOBPXABIS-UHFFFAOYSA-N 1 2 376.229 3.835 20 10 GHCDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1O ZINC000093007731 912005357 /nfs/dbraw/zinc/00/53/57/912005357.db2.gz JYUWPQSNPRBTGC-UHFFFAOYSA-N 1 2 392.858 3.541 20 10 GHCDLO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001190768236 917553671 /nfs/dbraw/zinc/55/36/71/917553671.db2.gz AMAAMZHPLQSPJB-QGZVFWFLSA-N 1 2 390.483 3.911 20 10 GHCDLO CC(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001190768236 917553674 /nfs/dbraw/zinc/55/36/74/917553674.db2.gz AMAAMZHPLQSPJB-QGZVFWFLSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000365001654 920286988 /nfs/dbraw/zinc/28/69/88/920286988.db2.gz QTKMRBKLOBBULO-XLIONFOSSA-N 1 2 375.472 3.941 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)c(F)c1 ZINC000753764162 929523364 /nfs/dbraw/zinc/52/33/64/929523364.db2.gz RUYMKVROJLWVNO-SJKOYZFVSA-N 1 2 378.394 3.725 20 10 GHCDLO Oc1cc2c(cc1C[N@@H+]1CCc3c(F)cc(Br)cc3C1)OCO2 ZINC000759133589 930282522 /nfs/dbraw/zinc/28/25/22/930282522.db2.gz HDGLECQSCMVGQH-UHFFFAOYSA-N 1 2 380.213 3.581 20 10 GHCDLO Oc1cc2c(cc1C[N@H+]1CCc3c(F)cc(Br)cc3C1)OCO2 ZINC000759133589 930282531 /nfs/dbraw/zinc/28/25/31/930282531.db2.gz HDGLECQSCMVGQH-UHFFFAOYSA-N 1 2 380.213 3.581 20 10 GHCDLO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000780892269 930629849 /nfs/dbraw/zinc/62/98/49/930629849.db2.gz IVSDXELWYAQVDS-UWVGGRQHSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000780892269 930629856 /nfs/dbraw/zinc/62/98/56/930629856.db2.gz IVSDXELWYAQVDS-UWVGGRQHSA-N 1 2 393.119 3.510 20 10 GHCDLO CCn1cc(N2C(=O)/C(=C/c3cc(-n4cc[nH+]c4)cs3)SC2=S)cn1 ZINC000783698135 931621976 /nfs/dbraw/zinc/62/19/76/931621976.db2.gz HNNVJKBMKCCGPA-NSIKDUERSA-N 1 2 387.515 3.556 20 10 GHCDLO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(Br)c(F)cc1O ZINC000799730386 933101437 /nfs/dbraw/zinc/10/14/37/933101437.db2.gz FBBMMGMQUUQUKC-OCCSQVGLSA-N 1 2 382.273 3.938 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137835627 935815407 /nfs/dbraw/zinc/81/54/07/935815407.db2.gz LMURJGYAUIRUAP-UHFFFAOYSA-N 1 2 378.451 3.652 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137835627 935815410 /nfs/dbraw/zinc/81/54/10/935815410.db2.gz LMURJGYAUIRUAP-UHFFFAOYSA-N 1 2 378.451 3.652 20 10 GHCDLO Cc1cc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC000834559464 1021270511 /nfs/dbraw/zinc/27/05/11/1021270511.db2.gz JNZVGLYJZDHVHY-LJQANCHMSA-N 1 2 376.504 3.776 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)Cc2nn(CC3CC3)cc21 ZINC001140339159 1021445462 /nfs/dbraw/zinc/44/54/62/1021445462.db2.gz UFKLEKKBBIJZQR-HNNXBMFYSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)Cc2nn(CC3CC3)cc21 ZINC001140339159 1021445468 /nfs/dbraw/zinc/44/54/68/1021445468.db2.gz UFKLEKKBBIJZQR-HNNXBMFYSA-N 1 2 375.900 3.788 20 10 GHCDLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cc(Br)ccc1O ZINC000834882995 1021609878 /nfs/dbraw/zinc/60/98/78/1021609878.db2.gz GAHQHMRZYMSVNQ-MRVPVSSYSA-N 1 2 389.091 3.502 20 10 GHCDLO CCn1nnc2c1CC[N@H+](Cc1cc(C)ccc1O)[C@@H]2COCc1ccccc1 ZINC001140621451 1022094535 /nfs/dbraw/zinc/09/45/35/1022094535.db2.gz KGBFBHZPHRQGSP-OAQYLSRUSA-N 1 2 392.503 3.628 20 10 GHCDLO CCn1nnc2c1CC[N@@H+](Cc1cc(C)ccc1O)[C@@H]2COCc1ccccc1 ZINC001140621451 1022094547 /nfs/dbraw/zinc/09/45/47/1022094547.db2.gz KGBFBHZPHRQGSP-OAQYLSRUSA-N 1 2 392.503 3.628 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)cc(F)c1O ZINC000756582353 1023720548 /nfs/dbraw/zinc/72/05/48/1023720548.db2.gz HORGAOJNCLBCTO-DMDPSCGWSA-N 1 2 387.293 3.591 20 10 GHCDLO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756610239 1023737367 /nfs/dbraw/zinc/73/73/67/1023737367.db2.gz TYKOUEMUWKWQPB-CVEARBPZSA-N 1 2 375.463 3.532 20 10 GHCDLO Oc1c(F)cccc1C[N@H+]1Cc2c(cnn2CC2CC2)[C@@H](COCC2CC2)C1 ZINC001138126874 1024171694 /nfs/dbraw/zinc/17/16/94/1024171694.db2.gz KVEMBKQEFINMHP-GOSISDBHSA-N 1 2 385.483 3.664 20 10 GHCDLO Oc1c(F)cccc1C[N@@H+]1Cc2c(cnn2CC2CC2)[C@@H](COCC2CC2)C1 ZINC001138126874 1024171710 /nfs/dbraw/zinc/17/17/10/1024171710.db2.gz KVEMBKQEFINMHP-GOSISDBHSA-N 1 2 385.483 3.664 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3OC)CC2)cc1 ZINC001138484143 1024914681 /nfs/dbraw/zinc/91/46/81/1024914681.db2.gz XPDWYEMZRGMJQX-UHFFFAOYSA-N 1 2 390.911 3.696 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001139130139 1025943180 /nfs/dbraw/zinc/94/31/80/1025943180.db2.gz RSSPIMDMIGCTFZ-UHFFFAOYSA-N 1 2 382.435 3.658 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001139130139 1025943188 /nfs/dbraw/zinc/94/31/88/1025943188.db2.gz RSSPIMDMIGCTFZ-UHFFFAOYSA-N 1 2 382.435 3.658 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001139130131 1025943734 /nfs/dbraw/zinc/94/37/34/1025943734.db2.gz RGVFUHAAWYPPFF-INIZCTEOSA-N 1 2 396.462 3.825 20 10 GHCDLO Cc1ccc(N2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)c(C)c1 ZINC001139131994 1025944922 /nfs/dbraw/zinc/94/49/22/1025944922.db2.gz RNCNASJNGBFLMO-UHFFFAOYSA-N 1 2 378.472 3.746 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000839642755 1026152045 /nfs/dbraw/zinc/15/20/45/1026152045.db2.gz HUDHGHNRLNJUOH-OAQYLSRUSA-N 1 2 385.847 3.858 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000839642755 1026152053 /nfs/dbraw/zinc/15/20/53/1026152053.db2.gz HUDHGHNRLNJUOH-OAQYLSRUSA-N 1 2 385.847 3.858 20 10 GHCDLO C[C@@H]1C[N@H+](CCSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CCO1 ZINC000840157431 1027291584 /nfs/dbraw/zinc/29/15/84/1027291584.db2.gz VDPINSADINCXMW-MJGOQNOKSA-N 1 2 387.549 3.542 20 10 GHCDLO C[C@@H]1C[N@@H+](CCSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CCO1 ZINC000840157431 1027291593 /nfs/dbraw/zinc/29/15/93/1027291593.db2.gz VDPINSADINCXMW-MJGOQNOKSA-N 1 2 387.549 3.542 20 10 GHCDLO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203565273 1027437176 /nfs/dbraw/zinc/43/71/76/1027437176.db2.gz YRMIIYUICCNRHO-UWVGGRQHSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203565273 1027437188 /nfs/dbraw/zinc/43/71/88/1027437188.db2.gz YRMIIYUICCNRHO-UWVGGRQHSA-N 1 2 393.119 3.510 20 10 GHCDLO Oc1c(Cl)cc(Cl)cc1CN1CC2(C1)CC[N@H+](Cc1cccnc1)C2 ZINC001203575195 1027442908 /nfs/dbraw/zinc/44/29/08/1027442908.db2.gz FSHWUXDMSARDRL-UHFFFAOYSA-N 1 2 378.303 3.802 20 10 GHCDLO Oc1c(Cl)cc(Cl)cc1CN1CC2(C1)CC[N@@H+](Cc1cccnc1)C2 ZINC001203575195 1027442919 /nfs/dbraw/zinc/44/29/19/1027442919.db2.gz FSHWUXDMSARDRL-UHFFFAOYSA-N 1 2 378.303 3.802 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2Cc1cc(Br)ccc1O ZINC001203639720 1027497815 /nfs/dbraw/zinc/49/78/15/1027497815.db2.gz IRVLPVIBPOUTDT-LSDHHAIUSA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2Cc1cc(Br)ccc1O ZINC001203639720 1027497822 /nfs/dbraw/zinc/49/78/22/1027497822.db2.gz IRVLPVIBPOUTDT-LSDHHAIUSA-N 1 2 397.313 3.738 20 10 GHCDLO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000843434638 1030008584 /nfs/dbraw/zinc/00/85/84/1030008584.db2.gz LXSYKOCQXHGACF-CPCISQLKSA-N 1 2 381.133 3.901 20 10 GHCDLO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944398 1030874793 /nfs/dbraw/zinc/87/47/93/1030874793.db2.gz MPHMXQRGPWKIPK-XIKOKIGWSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944398 1030874817 /nfs/dbraw/zinc/87/48/17/1030874817.db2.gz MPHMXQRGPWKIPK-XIKOKIGWSA-N 1 2 399.304 3.517 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC001205493233 1033438782 /nfs/dbraw/zinc/43/87/82/1033438782.db2.gz RSKMJDMKTTUISO-SFHVURJKSA-N 1 2 378.241 3.925 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC001205493233 1033438788 /nfs/dbraw/zinc/43/87/88/1033438788.db2.gz RSKMJDMKTTUISO-SFHVURJKSA-N 1 2 378.241 3.925 20 10 GHCDLO O=C(NC1CCCC1)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277388609 1033488785 /nfs/dbraw/zinc/48/87/85/1033488785.db2.gz XOTDYDLJMZUJGY-INIZCTEOSA-N 1 2 380.891 3.846 20 10 GHCDLO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277505579 1034510665 /nfs/dbraw/zinc/51/06/65/1034510665.db2.gz AOYBLPMUNHDWLS-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277505579 1034510672 /nfs/dbraw/zinc/51/06/72/1034510672.db2.gz AOYBLPMUNHDWLS-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1NCCc2[nH]c(-c3cc[nH+]c(NCc4cc5ccccc5cc4O)c3)cc21 ZINC001160206987 1034901610 /nfs/dbraw/zinc/90/16/10/1034901610.db2.gz PSVJLJMYZBXKII-UHFFFAOYSA-N 1 2 384.439 3.834 20 10 GHCDLO Cc1cnc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1 ZINC001232176571 1035145996 /nfs/dbraw/zinc/14/59/96/1035145996.db2.gz WXFHRFPEKXIVNL-UHFFFAOYSA-N 1 2 390.325 3.621 20 10 GHCDLO Cc1cnc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1 ZINC001232176571 1035145999 /nfs/dbraw/zinc/14/59/99/1035145999.db2.gz WXFHRFPEKXIVNL-UHFFFAOYSA-N 1 2 390.325 3.621 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(Cl)c3OC)CC2)cc1 ZINC001248795968 1036163822 /nfs/dbraw/zinc/16/38/22/1036163822.db2.gz ATBMVSLJDDEUGK-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(OC)ncc1Br ZINC001232749861 1038533393 /nfs/dbraw/zinc/53/33/93/1038533393.db2.gz OHLJLXYPFIBQPI-UHFFFAOYSA-N 1 2 378.314 3.941 20 10 GHCDLO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(OC)ncc1Br ZINC001232749861 1038533408 /nfs/dbraw/zinc/53/34/08/1038533408.db2.gz OHLJLXYPFIBQPI-UHFFFAOYSA-N 1 2 378.314 3.941 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233030882 1038781893 /nfs/dbraw/zinc/78/18/93/1038781893.db2.gz QSOULTQKRRYEOB-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233030882 1038781907 /nfs/dbraw/zinc/78/19/07/1038781907.db2.gz QSOULTQKRRYEOB-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001233032281 1038784632 /nfs/dbraw/zinc/78/46/32/1038784632.db2.gz XSHDUPWDKKUVFZ-CQSZACIVSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001233032281 1038784647 /nfs/dbraw/zinc/78/46/47/1038784647.db2.gz XSHDUPWDKKUVFZ-CQSZACIVSA-N 1 2 381.245 3.732 20 10 GHCDLO O=C1OC[C@@H](c2ccccc2)N1C1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233331895 1039132136 /nfs/dbraw/zinc/13/21/36/1039132136.db2.gz PDFMIODYCMSLRB-SFHVURJKSA-N 1 2 388.414 3.828 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233333898 1039135167 /nfs/dbraw/zinc/13/51/67/1039135167.db2.gz LRYCHFIWDPFLRB-UHFFFAOYSA-N 1 2 396.441 3.791 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cccc(O)c2Br)cc1 ZINC001462398192 1070227026 /nfs/dbraw/zinc/22/70/26/1070227026.db2.gz CWXRIGJUJIMHBW-UHFFFAOYSA-N 1 2 379.298 3.732 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cccc(O)c2Br)cc1 ZINC001462398192 1070227036 /nfs/dbraw/zinc/22/70/36/1070227036.db2.gz CWXRIGJUJIMHBW-UHFFFAOYSA-N 1 2 379.298 3.732 20 10 GHCDLO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001277833445 1039872421 /nfs/dbraw/zinc/87/24/21/1039872421.db2.gz IYKIPZRBKTUUGC-UKRRQHHQSA-N 1 2 380.916 3.571 20 10 GHCDLO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001277833443 1039873461 /nfs/dbraw/zinc/87/34/61/1039873461.db2.gz IYKIPZRBKTUUGC-DZGCQCFKSA-N 1 2 380.916 3.571 20 10 GHCDLO Oc1ccc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)cc1C[NH+]1CCOCC1 ZINC001254705288 1040465208 /nfs/dbraw/zinc/46/52/08/1040465208.db2.gz DCWIYUQFXDEWLK-MOPGFXCFSA-N 1 2 377.444 3.546 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001235056796 1040545670 /nfs/dbraw/zinc/54/56/70/1040545670.db2.gz GOSHERJPJMEXKN-UHFFFAOYSA-N 1 2 394.284 3.863 20 10 GHCDLO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235076208 1040564999 /nfs/dbraw/zinc/56/49/99/1040564999.db2.gz UGWKHRMNUNEAKZ-CYBMUJFWSA-N 1 2 378.241 3.999 20 10 GHCDLO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235076208 1040565018 /nfs/dbraw/zinc/56/50/18/1040565018.db2.gz UGWKHRMNUNEAKZ-CYBMUJFWSA-N 1 2 378.241 3.999 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001235299310 1040772872 /nfs/dbraw/zinc/77/28/72/1040772872.db2.gz SCDBIWDLIKMXDT-UHFFFAOYSA-N 1 2 392.272 3.562 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001235299310 1040772897 /nfs/dbraw/zinc/77/28/97/1040772897.db2.gz SCDBIWDLIKMXDT-UHFFFAOYSA-N 1 2 392.272 3.562 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235305275 1040779255 /nfs/dbraw/zinc/77/92/55/1040779255.db2.gz LIVYENXRXPIBNN-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235305275 1040779269 /nfs/dbraw/zinc/77/92/69/1040779269.db2.gz LIVYENXRXPIBNN-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO Oc1cc(F)cc(F)c1CN1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC001235790595 1041283929 /nfs/dbraw/zinc/28/39/29/1041283929.db2.gz IAKPMHMUVOBCAD-INIZCTEOSA-N 1 2 383.236 3.579 20 10 GHCDLO CN1CCN(c2ccc(C[NH2+]Cc3cc(F)c(Cl)cc3F)cc2F)CC1 ZINC001256194415 1041640806 /nfs/dbraw/zinc/64/08/06/1041640806.db2.gz NYNRUPCUTNFRGI-UHFFFAOYSA-N 1 2 383.845 3.799 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)ccc(Cl)c2Cl)N1CC(F)(F)F ZINC001277992822 1041800562 /nfs/dbraw/zinc/80/05/62/1041800562.db2.gz OSEZOYKRETYZKL-VXGBXAGGSA-N 1 2 397.224 3.827 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)ccc(Cl)c2Cl)N1CC(F)(F)F ZINC001277992822 1041800567 /nfs/dbraw/zinc/80/05/67/1041800567.db2.gz OSEZOYKRETYZKL-VXGBXAGGSA-N 1 2 397.224 3.827 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001236666764 1041813612 /nfs/dbraw/zinc/81/36/12/1041813612.db2.gz VRWIQDJLFZHMQE-UHFFFAOYSA-N 1 2 387.321 3.923 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC3(CC[N@H+]3Cc3ccccc3)C2)c1 ZINC001236666764 1041813618 /nfs/dbraw/zinc/81/36/18/1041813618.db2.gz VRWIQDJLFZHMQE-UHFFFAOYSA-N 1 2 387.321 3.923 20 10 GHCDLO COc1ccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c(O)c1Cl ZINC001236801286 1041903255 /nfs/dbraw/zinc/90/32/55/1041903255.db2.gz FJTXDVAKGCWIMK-UHFFFAOYSA-N 1 2 396.915 3.887 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c([O-])c1Cl ZINC001236802929 1041904846 /nfs/dbraw/zinc/90/48/46/1041904846.db2.gz WRMLWVBGIIZFGI-GASCZTMLSA-N 1 2 378.925 3.680 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c([O-])c1Cl ZINC001236802929 1041904853 /nfs/dbraw/zinc/90/48/53/1041904853.db2.gz WRMLWVBGIIZFGI-GASCZTMLSA-N 1 2 378.925 3.680 20 10 GHCDLO COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c([O-])c1Cl ZINC001236802929 1041904856 /nfs/dbraw/zinc/90/48/56/1041904856.db2.gz WRMLWVBGIIZFGI-GASCZTMLSA-N 1 2 378.925 3.680 20 10 GHCDLO COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c([O-])c1Cl ZINC001236802929 1041904858 /nfs/dbraw/zinc/90/48/58/1041904858.db2.gz WRMLWVBGIIZFGI-GASCZTMLSA-N 1 2 378.925 3.680 20 10 GHCDLO O=C1c2ccccc2CN1[C@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236802874 1041905307 /nfs/dbraw/zinc/90/53/07/1041905307.db2.gz KICKJFIRSWYDGA-AWEZNQCLSA-N 1 2 377.271 3.929 20 10 GHCDLO O=C1c2ccccc2CN1[C@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236802874 1041905308 /nfs/dbraw/zinc/90/53/08/1041905308.db2.gz KICKJFIRSWYDGA-AWEZNQCLSA-N 1 2 377.271 3.929 20 10 GHCDLO COc1ccc(C[NH+]2CCN(c3nccc4ccccc43)CC2)c(O)c1Cl ZINC001236811034 1041911605 /nfs/dbraw/zinc/91/16/05/1041911605.db2.gz FFZJTWCNNAPRSS-UHFFFAOYSA-N 1 2 383.879 3.925 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cnn(CC)c21 ZINC001237113385 1042045262 /nfs/dbraw/zinc/04/52/62/1042045262.db2.gz VYWLQKSQICMWHL-CQSZACIVSA-N 1 2 399.413 3.643 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cnn(CC)c21 ZINC001237113385 1042045267 /nfs/dbraw/zinc/04/52/67/1042045267.db2.gz VYWLQKSQICMWHL-CQSZACIVSA-N 1 2 399.413 3.643 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2c1cnn2CC ZINC001237115735 1042046570 /nfs/dbraw/zinc/04/65/70/1042046570.db2.gz ICSVSUKSDVCCIB-ZDUSSCGKSA-N 1 2 399.413 3.643 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2c1cnn2CC ZINC001237115735 1042046572 /nfs/dbraw/zinc/04/65/72/1042046572.db2.gz ICSVSUKSDVCCIB-ZDUSSCGKSA-N 1 2 399.413 3.643 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001237125894 1042054382 /nfs/dbraw/zinc/05/43/82/1042054382.db2.gz RFWSSVLLFPTVPZ-MRXNPFEDSA-N 1 2 394.384 3.986 20 10 GHCDLO COc1cc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)c(O)c(OC)c1 ZINC001237671674 1042315376 /nfs/dbraw/zinc/31/53/76/1042315376.db2.gz DUGGDSQGEPAPEA-IBGZPJMESA-N 1 2 385.460 3.507 20 10 GHCDLO COc1cc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)c(O)c(OC)c1 ZINC001237671674 1042315379 /nfs/dbraw/zinc/31/53/79/1042315379.db2.gz DUGGDSQGEPAPEA-IBGZPJMESA-N 1 2 385.460 3.507 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)c1O ZINC001237679906 1042322151 /nfs/dbraw/zinc/32/21/51/1042322151.db2.gz MCEUGJFVEPYUJW-MRXNPFEDSA-N 1 2 377.916 3.860 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)c1O ZINC001237679906 1042322155 /nfs/dbraw/zinc/32/21/55/1042322155.db2.gz MCEUGJFVEPYUJW-MRXNPFEDSA-N 1 2 377.916 3.860 20 10 GHCDLO C[N@H+](Cc1nc2ccccc2o1)Cc1cccc(I)c1O ZINC001237784039 1042367189 /nfs/dbraw/zinc/36/71/89/1042367189.db2.gz QXZVPPSFNCLWGL-UHFFFAOYSA-N 1 2 394.212 3.770 20 10 GHCDLO C[N@@H+](Cc1nc2ccccc2o1)Cc1cccc(I)c1O ZINC001237784039 1042367194 /nfs/dbraw/zinc/36/71/94/1042367194.db2.gz QXZVPPSFNCLWGL-UHFFFAOYSA-N 1 2 394.212 3.770 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]2C1 ZINC001237799049 1042375900 /nfs/dbraw/zinc/37/59/00/1042375900.db2.gz NKTOHZNQVUDPBX-TZMCWYRMSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]2C1 ZINC001237799049 1042375908 /nfs/dbraw/zinc/37/59/08/1042375908.db2.gz NKTOHZNQVUDPBX-TZMCWYRMSA-N 1 2 384.879 3.874 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001237799218 1042376399 /nfs/dbraw/zinc/37/63/99/1042376399.db2.gz FRWQDXVYPGTAGL-QGZVFWFLSA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237801593 1042377708 /nfs/dbraw/zinc/37/77/08/1042377708.db2.gz WGJNLWBZTMOLPT-BLLLJJGKSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237801593 1042377711 /nfs/dbraw/zinc/37/77/11/1042377711.db2.gz WGJNLWBZTMOLPT-BLLLJJGKSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001237811680 1042381239 /nfs/dbraw/zinc/38/12/39/1042381239.db2.gz BTVPKZTXZPIIGC-OXQOHEQNSA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001237811680 1042381240 /nfs/dbraw/zinc/38/12/40/1042381240.db2.gz BTVPKZTXZPIIGC-OXQOHEQNSA-N 1 2 392.858 3.782 20 10 GHCDLO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C ZINC001307703687 1049519211 /nfs/dbraw/zinc/51/92/11/1049519211.db2.gz XVZXXTROELMKGA-OWCLPIDISA-N 1 2 390.483 3.909 20 10 GHCDLO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C ZINC001307703687 1049519222 /nfs/dbraw/zinc/51/92/22/1049519222.db2.gz XVZXXTROELMKGA-OWCLPIDISA-N 1 2 390.483 3.909 20 10 GHCDLO Oc1cc(Br)ccc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC001308670976 1050054245 /nfs/dbraw/zinc/05/42/45/1050054245.db2.gz FFRQBIIRTQSDDD-GOSISDBHSA-N 1 2 376.294 3.988 20 10 GHCDLO Oc1cc(Br)ccc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC001308670976 1050054250 /nfs/dbraw/zinc/05/42/50/1050054250.db2.gz FFRQBIIRTQSDDD-GOSISDBHSA-N 1 2 376.294 3.988 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)Cc1cc(C)c(C2OCCO2)cc1C ZINC001308829802 1050112805 /nfs/dbraw/zinc/11/28/05/1050112805.db2.gz NEJIMLIXQBGHQV-UHFFFAOYSA-N 1 2 399.487 3.620 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)Cc1cc(C)c(C2OCCO2)cc1C ZINC001308829802 1050112812 /nfs/dbraw/zinc/11/28/12/1050112812.db2.gz NEJIMLIXQBGHQV-UHFFFAOYSA-N 1 2 399.487 3.620 20 10 GHCDLO CN(C(=O)C[N@H+](C)Cc1cc(Br)cc(F)c1O)C1CCCCC1 ZINC001308862151 1050127883 /nfs/dbraw/zinc/12/78/83/1050127883.db2.gz SIXFJRKXTORCLV-UHFFFAOYSA-N 1 2 387.293 3.517 20 10 GHCDLO CN(C(=O)C[N@@H+](C)Cc1cc(Br)cc(F)c1O)C1CCCCC1 ZINC001308862151 1050127888 /nfs/dbraw/zinc/12/78/88/1050127888.db2.gz SIXFJRKXTORCLV-UHFFFAOYSA-N 1 2 387.293 3.517 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cc(F)c(F)cc3[O-])cc2)C[C@H](C)O1 ZINC001308916744 1050166220 /nfs/dbraw/zinc/16/62/20/1050166220.db2.gz ZZRQRUXFPOJUJM-IYBDPMFKSA-N 1 2 390.474 3.912 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cc(F)c(F)cc3[O-])cc2)C[C@H](C)O1 ZINC001308916744 1050166229 /nfs/dbraw/zinc/16/62/29/1050166229.db2.gz ZZRQRUXFPOJUJM-IYBDPMFKSA-N 1 2 390.474 3.912 20 10 GHCDLO C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cc(F)c(F)cc3[O-])cc2)C[C@H](C)O1 ZINC001308916744 1050166232 /nfs/dbraw/zinc/16/62/32/1050166232.db2.gz ZZRQRUXFPOJUJM-IYBDPMFKSA-N 1 2 390.474 3.912 20 10 GHCDLO C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cc(F)c(F)cc3[O-])cc2)C[C@H](C)O1 ZINC001308916744 1050166242 /nfs/dbraw/zinc/16/62/42/1050166242.db2.gz ZZRQRUXFPOJUJM-IYBDPMFKSA-N 1 2 390.474 3.912 20 10 GHCDLO CN1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)c3cccnc3)cc2F)CC1 ZINC001200076701 1065143658 /nfs/dbraw/zinc/14/36/58/1065143658.db2.gz JUYHGWRCKRMRIW-XMMPIXPASA-N 1 2 390.506 3.852 20 10 GHCDLO CN(C)c1ccc(CN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C2CC2)cc1 ZINC001479141403 1079120737 /nfs/dbraw/zinc/12/07/37/1079120737.db2.gz HVLJJTLTVSKOIB-QFIPXVFZSA-N 1 2 378.520 3.613 20 10 GHCDLO CN(C)c1ccc(CN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C2CC2)cc1 ZINC001479141403 1079120740 /nfs/dbraw/zinc/12/07/40/1079120740.db2.gz HVLJJTLTVSKOIB-QFIPXVFZSA-N 1 2 378.520 3.613 20 10 GHCDLO CC(C)[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C(=O)OC(C)(C)C ZINC001474194694 1074289181 /nfs/dbraw/zinc/28/91/81/1074289181.db2.gz YBXNRSABSYLGBJ-CYBMUJFWSA-N 1 2 390.293 3.997 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1O ZINC000819834669 606109052 /nfs/dbraw/zinc/10/90/52/606109052.db2.gz RBBCLSYKQRASJZ-UHFFFAOYSA-N 1 2 397.866 3.593 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1O ZINC000819834669 606109054 /nfs/dbraw/zinc/10/90/54/606109054.db2.gz RBBCLSYKQRASJZ-UHFFFAOYSA-N 1 2 397.866 3.593 20 10 GHCDLO C[C@@H]1[C@H]([NH2+]Cc2cccc(Br)c2O)CCN1Cc1ccccc1 ZINC000309710734 835293719 /nfs/dbraw/zinc/29/37/19/835293719.db2.gz JFVOIKMNFWZBAY-RDTXWAMCSA-N 1 2 375.310 3.907 20 10 GHCDLO CCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000893920346 844251232 /nfs/dbraw/zinc/25/12/32/844251232.db2.gz RKRMPLCFIPRUMI-UHFFFAOYSA-N 1 2 389.721 3.546 20 10 GHCDLO O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000180934444 838681641 /nfs/dbraw/zinc/68/16/41/838681641.db2.gz KNRBEPVTTFUBBH-VZUCSPMQSA-N 1 2 375.428 3.950 20 10 GHCDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Br)cc(F)c1O ZINC000894061746 844451643 /nfs/dbraw/zinc/45/16/43/844451643.db2.gz JSKBOSAXNVEIOK-JOCHJYFZSA-N 1 2 386.286 3.663 20 10 GHCDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Br)cc(F)c1O ZINC000894061746 844451647 /nfs/dbraw/zinc/45/16/47/844451647.db2.gz JSKBOSAXNVEIOK-JOCHJYFZSA-N 1 2 386.286 3.663 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000067127167 844868953 /nfs/dbraw/zinc/86/89/53/844868953.db2.gz MXVMAJPXSILVEL-UHFFFAOYSA-N 1 2 395.547 3.694 20 10 GHCDLO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000588489752 845682288 /nfs/dbraw/zinc/68/22/88/845682288.db2.gz RBSASQXENBUSKB-QKXNICGJSA-N 1 2 393.119 3.895 20 10 GHCDLO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001167582902 847531942 /nfs/dbraw/zinc/53/19/42/847531942.db2.gz XEAFSFNGXVHUJL-HZPDHXFCSA-N 1 2 390.483 3.911 20 10 GHCDLO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001167582902 847531948 /nfs/dbraw/zinc/53/19/48/847531948.db2.gz XEAFSFNGXVHUJL-HZPDHXFCSA-N 1 2 390.483 3.911 20 10 GHCDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2c(C)c3ccccc3n2C)c1C ZINC000472238695 847946441 /nfs/dbraw/zinc/94/64/41/847946441.db2.gz KKQXJEGSGHLZCK-UHFFFAOYSA-N 1 2 380.492 3.849 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c(C(F)(F)F)c1 ZINC000895071301 855385416 /nfs/dbraw/zinc/38/54/16/855385416.db2.gz ZTDYBHRWMYLHPN-UHFFFAOYSA-N 1 2 394.441 3.559 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)c(C(F)(F)F)c1 ZINC000895071301 855385419 /nfs/dbraw/zinc/38/54/19/855385419.db2.gz ZTDYBHRWMYLHPN-UHFFFAOYSA-N 1 2 394.441 3.559 20 10 GHCDLO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(N2CCOCC2)cc1Cl ZINC000765345812 859922827 /nfs/dbraw/zinc/92/28/27/859922827.db2.gz ANKUWAFLNQMRDJ-CYBMUJFWSA-N 1 2 376.913 3.737 20 10 GHCDLO NS(=O)(=O)c1ccc(Nc2ccc([NH2+]C3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000301152462 865191891 /nfs/dbraw/zinc/19/18/91/865191891.db2.gz LAFKJVRQUSLWJM-UHFFFAOYSA-N 1 2 390.465 3.730 20 10 GHCDLO CN(C)c1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)c(C(F)(F)F)c1 ZINC000793032656 881880007 /nfs/dbraw/zinc/88/00/07/881880007.db2.gz OSWZLAMKIIIIST-UHFFFAOYSA-N 1 2 394.441 3.611 20 10 GHCDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000793040186 881886372 /nfs/dbraw/zinc/88/63/72/881886372.db2.gz DTKYRACYJUIHBP-UHFFFAOYSA-N 1 2 384.430 3.540 20 10 GHCDLO CC1(C)C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000127233556 866365817 /nfs/dbraw/zinc/36/58/17/866365817.db2.gz IXCMNDGPSYXFCC-NSHDSACASA-N 1 2 393.119 3.964 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)cc2)CC1 ZINC000108350151 866523384 /nfs/dbraw/zinc/52/33/84/866523384.db2.gz KCPXOROQGZHEOQ-HXUWFJFHSA-N 1 2 395.551 3.534 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)cc2)CC1 ZINC000108350151 866523397 /nfs/dbraw/zinc/52/33/97/866523397.db2.gz KCPXOROQGZHEOQ-HXUWFJFHSA-N 1 2 395.551 3.534 20 10 GHCDLO C[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1cc(F)cc(F)c1O ZINC000775576538 870891116 /nfs/dbraw/zinc/89/11/16/870891116.db2.gz AAFFQTWNQGBMEW-SNVBAGLBSA-N 1 2 376.325 3.900 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168862559 870914747 /nfs/dbraw/zinc/91/47/47/870914747.db2.gz FSFDQNXSANORSG-CVEARBPZSA-N 1 2 399.535 3.943 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168862559 870914751 /nfs/dbraw/zinc/91/47/51/870914751.db2.gz FSFDQNXSANORSG-CVEARBPZSA-N 1 2 399.535 3.943 20 10 GHCDLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)n1-c1ccc(Br)cc1 ZINC000857984596 882692164 /nfs/dbraw/zinc/69/21/64/882692164.db2.gz BVEUCIAHIFZFCE-KRWDZBQOSA-N 1 2 399.292 3.928 20 10 GHCDLO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000769192333 873845700 /nfs/dbraw/zinc/84/57/00/873845700.db2.gz NQHRLANTDQTNHB-HUUCEWRRSA-N 1 2 386.367 3.689 20 10 GHCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000770382226 874624861 /nfs/dbraw/zinc/62/48/61/874624861.db2.gz UKJFLVHZKHMFEO-CYBMUJFWSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000770382226 874624863 /nfs/dbraw/zinc/62/48/63/874624863.db2.gz UKJFLVHZKHMFEO-CYBMUJFWSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCOC1CCC1 ZINC000776222447 875914145 /nfs/dbraw/zinc/91/41/45/875914145.db2.gz GGXQKLXUJIGEJB-UHFFFAOYSA-N 1 2 379.092 3.576 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000529636855 876422649 /nfs/dbraw/zinc/42/26/49/876422649.db2.gz JOQLGKGQBOGCCL-SNVBAGLBSA-N 1 2 393.119 3.824 20 10 GHCDLO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)c1 ZINC000786574845 876806489 /nfs/dbraw/zinc/80/64/89/876806489.db2.gz HCVDZPUTWKERLE-SWLSCSKDSA-N 1 2 382.273 3.856 20 10 GHCDLO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cc(Br)c(F)cc1O ZINC000786936594 877065935 /nfs/dbraw/zinc/06/59/35/877065935.db2.gz GCSLMQNOFLZYID-LLVKDONJSA-N 1 2 391.244 3.725 20 10 GHCDLO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000786939242 877067173 /nfs/dbraw/zinc/06/71/73/877067173.db2.gz PHCZBKZHAKGFQH-MRXNPFEDSA-N 1 2 397.910 3.608 20 10 GHCDLO CO[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000852410352 878303245 /nfs/dbraw/zinc/30/32/45/878303245.db2.gz BHQKWNNAZJAGCV-OAQYLSRUSA-N 1 2 382.464 3.514 20 10 GHCDLO CO[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000852410352 878303256 /nfs/dbraw/zinc/30/32/56/878303256.db2.gz BHQKWNNAZJAGCV-OAQYLSRUSA-N 1 2 382.464 3.514 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1nnc2n1CCCCC2 ZINC000852627692 878478436 /nfs/dbraw/zinc/47/84/36/878478436.db2.gz HMCSRBUHGDZRGJ-MRXNPFEDSA-N 1 2 376.888 3.807 20 10 GHCDLO CC(=O)N(C)C1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)CC1 ZINC000112544465 880010508 /nfs/dbraw/zinc/01/05/08/880010508.db2.gz NTPLYESXWYQONJ-UHFFFAOYSA-N 1 2 399.510 3.667 20 10 GHCDLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)CCO2)cc1 ZINC000792191204 880979407 /nfs/dbraw/zinc/97/94/07/880979407.db2.gz XLWQSOPUDRREAI-QHCPKHFHSA-N 1 2 384.495 3.798 20 10 GHCDLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)CCO2)cc1 ZINC000792191204 880979414 /nfs/dbraw/zinc/97/94/14/880979414.db2.gz XLWQSOPUDRREAI-QHCPKHFHSA-N 1 2 384.495 3.798 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cc(Br)cc(F)c1O ZINC000858478695 883130345 /nfs/dbraw/zinc/13/03/45/883130345.db2.gz AHJYQJMLCPHOJK-GXSJLCMTSA-N 1 2 381.236 3.674 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000859181280 883642754 /nfs/dbraw/zinc/64/27/54/883642754.db2.gz HETBFOOJPNMNHP-NRFANRHFSA-N 1 2 376.460 3.580 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(=O)C(C)C)CC2)c(C)n1-c1cccc(F)c1 ZINC000917109764 891271888 /nfs/dbraw/zinc/27/18/88/891271888.db2.gz FNNKBIIZEKYBJR-UHFFFAOYSA-N 1 2 399.510 3.653 20 10 GHCDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000876687920 893289568 /nfs/dbraw/zinc/28/95/68/893289568.db2.gz DYQOICHOPRITLD-QFIPXVFZSA-N 1 2 386.923 3.875 20 10 GHCDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000876687920 893289581 /nfs/dbraw/zinc/28/95/81/893289581.db2.gz DYQOICHOPRITLD-QFIPXVFZSA-N 1 2 386.923 3.875 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)Cc2cccc(C(N)=O)c2)c(C)n1-c1cccc(F)c1 ZINC000918187912 893329315 /nfs/dbraw/zinc/32/93/15/893329315.db2.gz DHPZBQCXZHJSRS-UHFFFAOYSA-N 1 2 393.462 3.647 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)Cc2cccc(C(N)=O)c2)c(C)n1-c1cccc(F)c1 ZINC000918187912 893329334 /nfs/dbraw/zinc/32/93/34/893329334.db2.gz DHPZBQCXZHJSRS-UHFFFAOYSA-N 1 2 393.462 3.647 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1noc(-c2ccccc2)n1 ZINC000877085662 893475617 /nfs/dbraw/zinc/47/56/17/893475617.db2.gz QLSPXTNPXGZWND-MRXNPFEDSA-N 1 2 378.476 3.549 20 10 GHCDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000774854616 913801438 /nfs/dbraw/zinc/80/14/38/913801438.db2.gz YEISRVIZCDRENW-APWZRJJASA-N 1 2 399.491 3.966 20 10 GHCDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000774854616 913801448 /nfs/dbraw/zinc/80/14/48/913801448.db2.gz YEISRVIZCDRENW-APWZRJJASA-N 1 2 399.491 3.966 20 10 GHCDLO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878325607 894195853 /nfs/dbraw/zinc/19/58/53/894195853.db2.gz LEMDFLKXPKUJFU-INIZCTEOSA-N 1 2 391.471 3.724 20 10 GHCDLO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878325607 894195861 /nfs/dbraw/zinc/19/58/61/894195861.db2.gz LEMDFLKXPKUJFU-INIZCTEOSA-N 1 2 391.471 3.724 20 10 GHCDLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816493294 894861467 /nfs/dbraw/zinc/86/14/67/894861467.db2.gz WEACEMAKABXQOP-QGZVFWFLSA-N 1 2 378.831 3.796 20 10 GHCDLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816493294 894861479 /nfs/dbraw/zinc/86/14/79/894861479.db2.gz WEACEMAKABXQOP-QGZVFWFLSA-N 1 2 378.831 3.796 20 10 GHCDLO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000816660356 895006362 /nfs/dbraw/zinc/00/63/62/895006362.db2.gz AKMDWQQKPWFEDM-XPTSAGLGSA-N 1 2 393.119 3.558 20 10 GHCDLO COc1ccc(-c2cnc(C[NH+]3CCN(c4ccc(OC)cc4)CC3)o2)cc1 ZINC000041645860 896539550 /nfs/dbraw/zinc/53/95/50/896539550.db2.gz DCDRIUNJFNEZQJ-UHFFFAOYSA-N 1 2 379.460 3.681 20 10 GHCDLO O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001185838069 914116145 /nfs/dbraw/zinc/11/61/45/914116145.db2.gz AGEQYBHUTXJSCR-KRWDZBQOSA-N 1 2 388.427 3.912 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000825061911 899959320 /nfs/dbraw/zinc/95/93/20/899959320.db2.gz LWEBNJUEQDTNDQ-TVQRCGJNSA-N 1 2 393.119 3.558 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001144298808 901646406 /nfs/dbraw/zinc/64/64/06/901646406.db2.gz JNXYSQHVTUFWGJ-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307893 901699549 /nfs/dbraw/zinc/69/95/49/901699549.db2.gz LBSGSZGKWMFKIN-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307893 901699554 /nfs/dbraw/zinc/69/95/54/901699554.db2.gz LBSGSZGKWMFKIN-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(O)cc3C(F)(F)F)CC2)c(OC)c1 ZINC001144392355 901959236 /nfs/dbraw/zinc/95/92/36/901959236.db2.gz XSPCPRVEYTYTFJ-UHFFFAOYSA-N 1 2 396.409 3.750 20 10 GHCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCn3c(Cc4cccc(F)c4)nnc3C2)cc1 ZINC000845999677 902579973 /nfs/dbraw/zinc/57/99/73/902579973.db2.gz YJGMYRGIJYRVNF-XQRVVYSFSA-N 1 2 391.494 3.603 20 10 GHCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCn3c(Cc4cccc(F)c4)nnc3C2)cc1 ZINC000845999677 902579979 /nfs/dbraw/zinc/57/99/79/902579979.db2.gz YJGMYRGIJYRVNF-XQRVVYSFSA-N 1 2 391.494 3.603 20 10 GHCDLO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778996514 902625523 /nfs/dbraw/zinc/62/55/23/902625523.db2.gz TUXIDGVJVBOFQE-UHFFFAOYSA-N 1 2 383.250 3.796 20 10 GHCDLO Cc1cc(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000779096560 904136208 /nfs/dbraw/zinc/13/62/08/904136208.db2.gz YDRQQULUIKNWKT-GOSISDBHSA-N 1 2 382.895 3.618 20 10 GHCDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2cccc(OCC)c2O)n1 ZINC000191831817 908682513 /nfs/dbraw/zinc/68/25/13/908682513.db2.gz CXLDLCVCQPHGDC-OAHLLOKOSA-N 1 2 376.478 3.761 20 10 GHCDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2cccc(OCC)c2O)n1 ZINC000191831817 908682518 /nfs/dbraw/zinc/68/25/18/908682518.db2.gz CXLDLCVCQPHGDC-OAHLLOKOSA-N 1 2 376.478 3.761 20 10 GHCDLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC001180092799 909913662 /nfs/dbraw/zinc/91/36/62/909913662.db2.gz NXAAPFFSHQOZSZ-QGZVFWFLSA-N 1 2 376.859 3.969 20 10 GHCDLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC001180092799 909913668 /nfs/dbraw/zinc/91/36/68/909913668.db2.gz NXAAPFFSHQOZSZ-QGZVFWFLSA-N 1 2 376.859 3.969 20 10 GHCDLO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1cccc(Br)c1O ZINC001181465519 910778556 /nfs/dbraw/zinc/77/85/56/910778556.db2.gz YTYCIZWDSWHGBH-GFCCVEGCSA-N 1 2 378.266 3.994 20 10 GHCDLO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(Br)cc(F)c1O ZINC000774380248 911689342 /nfs/dbraw/zinc/68/93/42/911689342.db2.gz ROQAWIKPEDUATF-SSDOTTSWSA-N 1 2 392.162 3.861 20 10 GHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)cc2Cl)C1 ZINC000800570680 920282121 /nfs/dbraw/zinc/28/21/21/920282121.db2.gz BNDQZFJVLYKKGM-DOTOQJQBSA-N 1 2 386.927 3.652 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001137834519 935813628 /nfs/dbraw/zinc/81/36/28/935813628.db2.gz JPAYKZUSMYVDMW-UHFFFAOYSA-N 1 2 385.483 3.623 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001137834519 935813631 /nfs/dbraw/zinc/81/36/31/935813631.db2.gz JPAYKZUSMYVDMW-UHFFFAOYSA-N 1 2 385.483 3.623 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C(F)(F)F)OC(C)(C)C3)cc2)CC1 ZINC000830003023 935889066 /nfs/dbraw/zinc/88/90/66/935889066.db2.gz UDGGZHJIQCLTJD-GOSISDBHSA-N 1 2 386.458 3.844 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+]3C[C@H](C(F)(F)F)OC(C)(C)C3)cc2)CC1 ZINC000830003023 935889069 /nfs/dbraw/zinc/88/90/69/935889069.db2.gz UDGGZHJIQCLTJD-GOSISDBHSA-N 1 2 386.458 3.844 20 10 GHCDLO C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CCOCC1)c1ccccc1 ZINC001593210191 994243968 /nfs/dbraw/zinc/24/39/68/994243968.db2.gz NIOVNIMUCWODJR-SJORKVTESA-N 1 2 398.503 3.641 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)Cc2c1cnn2CC1CC1 ZINC001140466378 1021759204 /nfs/dbraw/zinc/75/92/04/1021759204.db2.gz CSFPXFUUUPMPDI-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)Cc2c1cnn2CC1CC1 ZINC001140466378 1021759212 /nfs/dbraw/zinc/75/92/12/1021759212.db2.gz CSFPXFUUUPMPDI-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO C[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)O1 ZINC000835086087 1021884839 /nfs/dbraw/zinc/88/48/39/1021884839.db2.gz CGXNBXFEKUCREB-GZMMTYOYSA-N 1 2 379.092 3.574 20 10 GHCDLO COc1cc(O)c(C[NH+]2CC(Oc3cccc(C(F)(F)F)c3)C2)c(OC)c1 ZINC001141028409 1023275922 /nfs/dbraw/zinc/27/59/22/1023275922.db2.gz NHZOUUMKOQHQJE-UHFFFAOYSA-N 1 2 383.366 3.691 20 10 GHCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000836781818 1023363517 /nfs/dbraw/zinc/36/35/17/1023363517.db2.gz VIRYNDLOPUDWBC-MJGOQNOKSA-N 1 2 375.472 3.941 20 10 GHCDLO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(Br)cc(F)c1O ZINC000756361507 1023606921 /nfs/dbraw/zinc/60/69/21/1023606921.db2.gz JWBWAVQIKKKYEK-SNVBAGLBSA-N 1 2 382.229 3.916 20 10 GHCDLO CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756381108 1023620642 /nfs/dbraw/zinc/62/06/42/1023620642.db2.gz KGAOIGYPPLGRTB-SNVBAGLBSA-N 1 2 389.265 3.565 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1O ZINC000756502689 1023687233 /nfs/dbraw/zinc/68/72/33/1023687233.db2.gz KRGLQJAQJFJRMJ-IUCAKERBSA-N 1 2 385.199 3.581 20 10 GHCDLO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756539541 1023705667 /nfs/dbraw/zinc/70/56/67/1023705667.db2.gz PXWXSRJGMUXOCE-QMMMGPOBSA-N 1 2 396.182 3.903 20 10 GHCDLO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(F)c1O ZINC000756707603 1023783242 /nfs/dbraw/zinc/78/32/42/1023783242.db2.gz LGPAQOILZBJQHS-SNVBAGLBSA-N 1 2 399.216 3.932 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Br)c(F)cc1O ZINC000756764380 1023805537 /nfs/dbraw/zinc/80/55/37/1023805537.db2.gz HYPJFOIAWUAKSW-RYUDHWBXSA-N 1 2 388.277 3.673 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001138126455 1024171084 /nfs/dbraw/zinc/17/10/84/1024171084.db2.gz BGOMLXMUJBXSBU-UHFFFAOYSA-N 1 2 378.451 3.652 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1cccc(F)c1O)C2 ZINC001138126455 1024171090 /nfs/dbraw/zinc/17/10/90/1024171090.db2.gz BGOMLXMUJBXSBU-UHFFFAOYSA-N 1 2 378.451 3.652 20 10 GHCDLO Oc1c(C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)cc2c3c1CCCN3CCC2 ZINC001138340847 1024702300 /nfs/dbraw/zinc/70/23/00/1024702300.db2.gz CXRIKZBIDLMXOY-NRFANRHFSA-N 1 2 382.479 3.804 20 10 GHCDLO Oc1c(C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)cc2c3c1CCCN3CCC2 ZINC001138340847 1024702314 /nfs/dbraw/zinc/70/23/14/1024702314.db2.gz CXRIKZBIDLMXOY-NRFANRHFSA-N 1 2 382.479 3.804 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccncc3NC(=O)C(C)(C)C)CC2)c(C)c1 ZINC001138459293 1024884414 /nfs/dbraw/zinc/88/44/14/1024884414.db2.gz LUHHKKNRAVEVQT-UHFFFAOYSA-N 1 2 396.535 3.705 20 10 GHCDLO CCOC(=O)C1([N@H+](Cc2ccccc2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500704 1024933984 /nfs/dbraw/zinc/93/39/84/1024933984.db2.gz FPLHYNPTFSSNEZ-UHFFFAOYSA-N 1 2 394.515 3.621 20 10 GHCDLO CCOC(=O)C1([N@@H+](Cc2ccccc2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500704 1024933987 /nfs/dbraw/zinc/93/39/87/1024933987.db2.gz FPLHYNPTFSSNEZ-UHFFFAOYSA-N 1 2 394.515 3.621 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1cc(I)ccc1F)CC2 ZINC001141449528 1025087658 /nfs/dbraw/zinc/08/76/58/1025087658.db2.gz ZJAGOBMPVYVWLU-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1cc(I)ccc1F)CC2 ZINC001141449528 1025087667 /nfs/dbraw/zinc/08/76/67/1025087667.db2.gz ZJAGOBMPVYVWLU-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(Sc2ccncc2)CC1 ZINC001139131344 1025943345 /nfs/dbraw/zinc/94/33/45/1025943345.db2.gz NTEUELPBEDQVHK-UHFFFAOYSA-N 1 2 382.485 3.959 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001139133197 1025944766 /nfs/dbraw/zinc/94/47/66/1025944766.db2.gz DVFDXLRCPDLXOL-UHFFFAOYSA-N 1 2 375.428 3.625 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001139133197 1025944773 /nfs/dbraw/zinc/94/47/73/1025944773.db2.gz DVFDXLRCPDLXOL-UHFFFAOYSA-N 1 2 375.428 3.625 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000839642754 1026152499 /nfs/dbraw/zinc/15/24/99/1026152499.db2.gz HUDHGHNRLNJUOH-NRFANRHFSA-N 1 2 385.847 3.858 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000839642754 1026152505 /nfs/dbraw/zinc/15/25/05/1026152505.db2.gz HUDHGHNRLNJUOH-NRFANRHFSA-N 1 2 385.847 3.858 20 10 GHCDLO Oc1cccc(Br)c1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001140100968 1026879434 /nfs/dbraw/zinc/87/94/34/1026879434.db2.gz GGUPBOHWBUFQDA-UHFFFAOYSA-N 1 2 384.277 3.899 20 10 GHCDLO Oc1cccc(Br)c1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001140100968 1026879445 /nfs/dbraw/zinc/87/94/45/1026879445.db2.gz GGUPBOHWBUFQDA-UHFFFAOYSA-N 1 2 384.277 3.899 20 10 GHCDLO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203565274 1027436826 /nfs/dbraw/zinc/43/68/26/1027436826.db2.gz YRMIIYUICCNRHO-VHSXEESVSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203565274 1027436833 /nfs/dbraw/zinc/43/68/33/1027436833.db2.gz YRMIIYUICCNRHO-VHSXEESVSA-N 1 2 393.119 3.510 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001203568843 1027438380 /nfs/dbraw/zinc/43/83/80/1027438380.db2.gz XTCJNBUSLCRRJL-NOZJJQNGSA-N 1 2 391.103 3.528 20 10 GHCDLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001203635831 1027494517 /nfs/dbraw/zinc/49/45/17/1027494517.db2.gz HMIPGFVREYBCPR-LBPRGKRZSA-N 1 2 385.302 3.596 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001203635831 1027494522 /nfs/dbraw/zinc/49/45/22/1027494522.db2.gz HMIPGFVREYBCPR-LBPRGKRZSA-N 1 2 385.302 3.596 20 10 GHCDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1cc(Br)ccc1O ZINC001203636346 1027496098 /nfs/dbraw/zinc/49/60/98/1027496098.db2.gz UUPIZJQTDOCDPS-UHFFFAOYSA-N 1 2 397.313 3.740 20 10 GHCDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1cc(Br)ccc1O ZINC001203636346 1027496105 /nfs/dbraw/zinc/49/61/05/1027496105.db2.gz UUPIZJQTDOCDPS-UHFFFAOYSA-N 1 2 397.313 3.740 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)Cc2ncn(CC3CC3)c21 ZINC001203655951 1027509319 /nfs/dbraw/zinc/50/93/19/1027509319.db2.gz GFHFDFNUYHSESB-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2ncn(CC3CC3)c21 ZINC001203655951 1027509323 /nfs/dbraw/zinc/50/93/23/1027509323.db2.gz GFHFDFNUYHSESB-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO Cc1cc(O)c(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000840912732 1027947518 /nfs/dbraw/zinc/94/75/18/1027947518.db2.gz URXDLLYJNMTQRR-UHFFFAOYSA-N 1 2 397.924 3.658 20 10 GHCDLO Cc1cc(O)c(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000840912732 1027947526 /nfs/dbraw/zinc/94/75/26/1027947526.db2.gz URXDLLYJNMTQRR-UHFFFAOYSA-N 1 2 397.924 3.658 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001143103417 1029842205 /nfs/dbraw/zinc/84/22/05/1029842205.db2.gz CQNJQCZSAOATNM-MSOLQXFVSA-N 1 2 390.524 3.510 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001143103417 1029842211 /nfs/dbraw/zinc/84/22/11/1029842211.db2.gz CQNJQCZSAOATNM-MSOLQXFVSA-N 1 2 390.524 3.510 20 10 GHCDLO CCCCN1CC[C@]2(CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881219 1030525272 /nfs/dbraw/zinc/52/52/72/1030525272.db2.gz LIRSZAICISWQBD-SFHVURJKSA-N 1 2 399.304 3.518 20 10 GHCDLO CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881219 1030525278 /nfs/dbraw/zinc/52/52/78/1030525278.db2.gz LIRSZAICISWQBD-SFHVURJKSA-N 1 2 399.304 3.518 20 10 GHCDLO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881606 1030526754 /nfs/dbraw/zinc/52/67/54/1030526754.db2.gz YVAAIHUCOYRUMJ-SGTLLEGYSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881606 1030526769 /nfs/dbraw/zinc/52/67/69/1030526769.db2.gz YVAAIHUCOYRUMJ-SGTLLEGYSA-N 1 2 399.304 3.517 20 10 GHCDLO Nc1ccc(N(c2ccc(N)cc2)c2ccc(NC(=O)C3(F)C[NH2+]C3)cc2)cc1 ZINC001218834259 1031104094 /nfs/dbraw/zinc/10/40/94/1031104094.db2.gz WJHKTPUDNUZGNX-UHFFFAOYSA-N 1 2 391.450 3.571 20 10 GHCDLO CN(C)c1ccc(/C=C/C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 ZINC001205876766 1033617618 /nfs/dbraw/zinc/61/76/18/1033617618.db2.gz WGSGHPBBQDGWGC-DKRLNXSXSA-N 1 2 383.483 3.904 20 10 GHCDLO COc1ccc2c(c1)CCCCN2Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001206091810 1033715213 /nfs/dbraw/zinc/71/52/13/1033715213.db2.gz SRSJHWKPKFFNNZ-UHFFFAOYSA-N 1 2 396.531 3.749 20 10 GHCDLO COc1ncccc1C[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001206603510 1033922346 /nfs/dbraw/zinc/92/23/46/1033922346.db2.gz SPIKTNQZLKKKOS-UHFFFAOYSA-N 1 2 389.499 3.991 20 10 GHCDLO CN(C)c1cc(F)c(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1F ZINC001207018643 1034055586 /nfs/dbraw/zinc/05/55/86/1034055586.db2.gz QBTUFZXOHACKAE-UHFFFAOYSA-N 1 2 384.474 3.830 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC001207433341 1034367929 /nfs/dbraw/zinc/36/79/29/1034367929.db2.gz IWLDAQCBBIDTSI-UHFFFAOYSA-N 1 2 379.431 3.814 20 10 GHCDLO Clc1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1N1CCOCC1 ZINC001232200628 1035157625 /nfs/dbraw/zinc/15/76/25/1035157625.db2.gz VQPGIOPCMNOUBK-FQEVSTJZSA-N 1 2 386.923 3.620 20 10 GHCDLO Clc1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1N1CCOCC1 ZINC001232200628 1035157633 /nfs/dbraw/zinc/15/76/33/1035157633.db2.gz VQPGIOPCMNOUBK-FQEVSTJZSA-N 1 2 386.923 3.620 20 10 GHCDLO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233030635 1038782350 /nfs/dbraw/zinc/78/23/50/1038782350.db2.gz JAGOQNCXCVLHDW-GOSISDBHSA-N 1 2 399.304 3.517 20 10 GHCDLO CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233030635 1038782368 /nfs/dbraw/zinc/78/23/68/1038782368.db2.gz JAGOQNCXCVLHDW-GOSISDBHSA-N 1 2 399.304 3.517 20 10 GHCDLO CCc1noc([C@H]2CCC[N@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233030578 1038783162 /nfs/dbraw/zinc/78/31/62/1038783162.db2.gz ZBYZJNNCFMHBGH-JTQLQIEISA-N 1 2 384.249 3.619 20 10 GHCDLO CCc1noc([C@H]2CCC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233030578 1038783175 /nfs/dbraw/zinc/78/31/75/1038783175.db2.gz ZBYZJNNCFMHBGH-JTQLQIEISA-N 1 2 384.249 3.619 20 10 GHCDLO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233033146 1038786578 /nfs/dbraw/zinc/78/65/78/1038786578.db2.gz IQZYLUPEDKFUQR-CYBMUJFWSA-N 1 2 378.241 3.999 20 10 GHCDLO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233033146 1038786579 /nfs/dbraw/zinc/78/65/79/1038786579.db2.gz IQZYLUPEDKFUQR-CYBMUJFWSA-N 1 2 378.241 3.999 20 10 GHCDLO COc1cc2c(cc1OC)C[NH+](Cc1cc(Br)cc(C)c1O)C2 ZINC001233110509 1038900847 /nfs/dbraw/zinc/90/08/47/1038900847.db2.gz DZRSPEVZDVCVAM-UHFFFAOYSA-N 1 2 378.266 3.996 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1F ZINC001233418554 1039279074 /nfs/dbraw/zinc/27/90/74/1039279074.db2.gz LVAFGZBBIDZSKA-ZIAGYGMSSA-N 1 2 392.393 3.848 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1F ZINC001233418554 1039279083 /nfs/dbraw/zinc/27/90/83/1039279083.db2.gz LVAFGZBBIDZSKA-ZIAGYGMSSA-N 1 2 392.393 3.848 20 10 GHCDLO O=C(c1ccccc1)N1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233419167 1039279779 /nfs/dbraw/zinc/27/97/79/1039279779.db2.gz LSXWPMMOFXPQDI-UHFFFAOYSA-N 1 2 378.394 3.759 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001235058448 1040548524 /nfs/dbraw/zinc/54/85/24/1040548524.db2.gz MMAVYCJOUBVQRD-UHFFFAOYSA-N 1 2 380.204 3.684 20 10 GHCDLO CCc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC001235067524 1040558872 /nfs/dbraw/zinc/55/88/72/1040558872.db2.gz VJBUZXUQRBKCQF-SNVBAGLBSA-N 1 2 384.249 3.619 20 10 GHCDLO CCc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC001235067524 1040558899 /nfs/dbraw/zinc/55/88/99/1040558899.db2.gz VJBUZXUQRBKCQF-SNVBAGLBSA-N 1 2 384.249 3.619 20 10 GHCDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)nc1 ZINC001235076164 1040565577 /nfs/dbraw/zinc/56/55/77/1040565577.db2.gz SMUAFFHSOGBFFI-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)nc1 ZINC001235076164 1040565586 /nfs/dbraw/zinc/56/55/86/1040565586.db2.gz SMUAFFHSOGBFFI-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001235299913 1040772228 /nfs/dbraw/zinc/77/22/28/1040772228.db2.gz WGVDPDQTWAPERA-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001235299913 1040772244 /nfs/dbraw/zinc/77/22/44/1040772244.db2.gz WGVDPDQTWAPERA-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO COc1cc(C[N@H+](C)Cc2cc(F)cc(Br)c2O)cc(OC)c1 ZINC001235301740 1040774991 /nfs/dbraw/zinc/77/49/91/1040774991.db2.gz HPQDDEZPTDYUMQ-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1cc(C[N@@H+](C)Cc2cc(F)cc(Br)c2O)cc(OC)c1 ZINC001235301740 1040775000 /nfs/dbraw/zinc/77/50/00/1040775000.db2.gz HPQDDEZPTDYUMQ-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)nc1 ZINC001235306455 1040781155 /nfs/dbraw/zinc/78/11/55/1040781155.db2.gz FYFCDICUHWIYME-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)nc1 ZINC001235306455 1040781168 /nfs/dbraw/zinc/78/11/68/1040781168.db2.gz FYFCDICUHWIYME-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(C)cc(Br)c1O)C2 ZINC001236662292 1041810242 /nfs/dbraw/zinc/81/02/42/1041810242.db2.gz BUJZRUASFAQBEE-UHFFFAOYSA-N 1 2 390.277 3.808 20 10 GHCDLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1cc(C)cc(Br)c1O)C2 ZINC001236662292 1041810245 /nfs/dbraw/zinc/81/02/45/1041810245.db2.gz BUJZRUASFAQBEE-UHFFFAOYSA-N 1 2 390.277 3.808 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c1 ZINC001236669048 1041816347 /nfs/dbraw/zinc/81/63/47/1041816347.db2.gz LFPPIFLBMLXFRQ-LJQANCHMSA-N 1 2 387.321 3.878 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@H+]3CCc4ccccc4[C@H]3C2)c1 ZINC001236669048 1041816351 /nfs/dbraw/zinc/81/63/51/1041816351.db2.gz LFPPIFLBMLXFRQ-LJQANCHMSA-N 1 2 387.321 3.878 20 10 GHCDLO Cc1ccc([C@]2(C)C[N@H+](Cc3cc(O)c(Br)cc3O)CCO2)cc1 ZINC001236770242 1041882000 /nfs/dbraw/zinc/88/20/00/1041882000.db2.gz FQRQDTKHCQBMBB-IBGZPJMESA-N 1 2 392.293 3.916 20 10 GHCDLO Cc1ccc([C@]2(C)C[N@@H+](Cc3cc(O)c(Br)cc3O)CCO2)cc1 ZINC001236770242 1041882002 /nfs/dbraw/zinc/88/20/02/1041882002.db2.gz FQRQDTKHCQBMBB-IBGZPJMESA-N 1 2 392.293 3.916 20 10 GHCDLO Cc1ccc(N2CC[NH+](Cc3cc(O)c(Br)cc3O)CC2)cc1C ZINC001236771952 1041882974 /nfs/dbraw/zinc/88/29/74/1041882974.db2.gz IORMIDBNLBTMHT-UHFFFAOYSA-N 1 2 391.309 3.799 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1Cl ZINC001236801054 1041903285 /nfs/dbraw/zinc/90/32/85/1041903285.db2.gz DHSFGLFRGOHVCT-FQEVSTJZSA-N 1 2 396.915 3.887 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1Cl ZINC001236801054 1041903287 /nfs/dbraw/zinc/90/32/87/1041903287.db2.gz DHSFGLFRGOHVCT-FQEVSTJZSA-N 1 2 396.915 3.887 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(O)c1Cl ZINC001236818305 1041914862 /nfs/dbraw/zinc/91/48/62/1041914862.db2.gz LQFJJHZSJYBCFF-QEJZJMRPSA-N 1 2 396.915 3.789 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(O)c1Cl ZINC001236818305 1041914868 /nfs/dbraw/zinc/91/48/68/1041914868.db2.gz LQFJJHZSJYBCFF-QEJZJMRPSA-N 1 2 396.915 3.789 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001237081426 1042026319 /nfs/dbraw/zinc/02/63/19/1042026319.db2.gz XKVPCBHFHHJTJY-ZIAGYGMSSA-N 1 2 378.303 3.658 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cn(CC)nc21 ZINC001237113259 1042045046 /nfs/dbraw/zinc/04/50/46/1042045046.db2.gz UWBYDJFDQWZGGS-CQSZACIVSA-N 1 2 399.413 3.643 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cn(CC)nc21 ZINC001237113259 1042045057 /nfs/dbraw/zinc/04/50/57/1042045057.db2.gz UWBYDJFDQWZGGS-CQSZACIVSA-N 1 2 399.413 3.643 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1CN1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001237114537 1042046093 /nfs/dbraw/zinc/04/60/93/1042046093.db2.gz MCSCFWBKYVRBCQ-QGZVFWFLSA-N 1 2 378.394 3.706 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1CN1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001237114537 1042046100 /nfs/dbraw/zinc/04/61/00/1042046100.db2.gz MCSCFWBKYVRBCQ-QGZVFWFLSA-N 1 2 378.394 3.706 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[NH+]1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001237126060 1042053448 /nfs/dbraw/zinc/05/34/48/1042053448.db2.gz FEZXUTBKHSPLHI-UHFFFAOYSA-N 1 2 398.869 3.964 20 10 GHCDLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001237125700 1042054056 /nfs/dbraw/zinc/05/40/56/1042054056.db2.gz UNGBHBZHLVXPNZ-WFASDCNBSA-N 1 2 392.833 3.670 20 10 GHCDLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001237125700 1042054059 /nfs/dbraw/zinc/05/40/59/1042054059.db2.gz UNGBHBZHLVXPNZ-WFASDCNBSA-N 1 2 392.833 3.670 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3c(O)ccc(F)c3Cl)[C@H]2C1 ZINC001237125996 1042054171 /nfs/dbraw/zinc/05/41/71/1042054171.db2.gz YBIKEWSFMNEGFR-DOMZBBRYSA-N 1 2 378.831 3.514 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3c(O)ccc(F)c3Cl)[C@H]2C1 ZINC001237125996 1042054174 /nfs/dbraw/zinc/05/41/74/1042054174.db2.gz YBIKEWSFMNEGFR-DOMZBBRYSA-N 1 2 378.831 3.514 20 10 GHCDLO O=C(NC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1)c1ccccc1F ZINC001237128603 1042055153 /nfs/dbraw/zinc/05/51/53/1042055153.db2.gz SDHPVIUEEXLTAN-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO CS(=O)(=O)c1cccc([C@H]2CCC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)c1 ZINC001237131635 1042055971 /nfs/dbraw/zinc/05/59/71/1042055971.db2.gz WBYWMYPOFVPXHQ-AWEZNQCLSA-N 1 2 397.899 3.968 20 10 GHCDLO CS(=O)(=O)c1cccc([C@H]2CCC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)c1 ZINC001237131635 1042055979 /nfs/dbraw/zinc/05/59/79/1042055979.db2.gz WBYWMYPOFVPXHQ-AWEZNQCLSA-N 1 2 397.899 3.968 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CC12CC2 ZINC001237139641 1042060422 /nfs/dbraw/zinc/06/04/22/1042060422.db2.gz IKEPXEKSEIWZSR-UHFFFAOYSA-N 1 2 386.414 3.996 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC12CC2 ZINC001237139641 1042060424 /nfs/dbraw/zinc/06/04/24/1042060424.db2.gz IKEPXEKSEIWZSR-UHFFFAOYSA-N 1 2 386.414 3.996 20 10 GHCDLO Cc1cccc(COCc2cnc3n2CC[N@@H+](Cc2c(C)cccc2O)[C@@H]3C)n1 ZINC001237486749 1042230271 /nfs/dbraw/zinc/23/02/71/1042230271.db2.gz TZHVUOJWIVTBPW-GOSISDBHSA-N 1 2 392.503 3.894 20 10 GHCDLO Cc1cccc(COCc2cnc3n2CC[N@H+](Cc2c(C)cccc2O)[C@@H]3C)n1 ZINC001237486749 1042230274 /nfs/dbraw/zinc/23/02/74/1042230274.db2.gz TZHVUOJWIVTBPW-GOSISDBHSA-N 1 2 392.503 3.894 20 10 GHCDLO O=C1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1ccc(F)cc1 ZINC001237619395 1042286013 /nfs/dbraw/zinc/28/60/13/1042286013.db2.gz PWOZQWLJPNVZIK-FQEVSTJZSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1ccc(F)cc1 ZINC001237619395 1042286020 /nfs/dbraw/zinc/28/60/20/1042286020.db2.gz PWOZQWLJPNVZIK-FQEVSTJZSA-N 1 2 392.833 3.953 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2C1 ZINC001237621621 1042288601 /nfs/dbraw/zinc/28/86/01/1042288601.db2.gz DEKKYUSVTAPYCK-JSGCOSHPSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2C1 ZINC001237621621 1042288606 /nfs/dbraw/zinc/28/86/06/1042288606.db2.gz DEKKYUSVTAPYCK-JSGCOSHPSA-N 1 2 384.879 3.874 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237624512 1042291249 /nfs/dbraw/zinc/29/12/49/1042291249.db2.gz VQTKYHCPTLSFQE-NSHDSACASA-N 1 2 391.752 3.647 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237624512 1042291256 /nfs/dbraw/zinc/29/12/56/1042291256.db2.gz VQTKYHCPTLSFQE-NSHDSACASA-N 1 2 391.752 3.647 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1Br ZINC001237683597 1042323758 /nfs/dbraw/zinc/32/37/58/1042323758.db2.gz NYNBZSLJUMDWSC-QXAKKESOSA-N 1 2 396.325 3.622 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1Br ZINC001237683597 1042323765 /nfs/dbraw/zinc/32/37/65/1042323765.db2.gz NYNBZSLJUMDWSC-QXAKKESOSA-N 1 2 396.325 3.622 20 10 GHCDLO Cc1cc(O)c(C[N@H+](C)CC(=O)OCc2ccccc2)cc1Br ZINC001237686991 1042327635 /nfs/dbraw/zinc/32/76/35/1042327635.db2.gz YTBCXYSFUAELRW-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO Cc1cc(O)c(C[N@@H+](C)CC(=O)OCc2ccccc2)cc1Br ZINC001237686991 1042327640 /nfs/dbraw/zinc/32/76/40/1042327640.db2.gz YTBCXYSFUAELRW-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783305 1042367299 /nfs/dbraw/zinc/36/72/99/1042367299.db2.gz HGKIWCJCMGVAST-SECBINFHSA-N 1 2 396.203 3.559 20 10 GHCDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783305 1042367303 /nfs/dbraw/zinc/36/73/03/1042367303.db2.gz HGKIWCJCMGVAST-SECBINFHSA-N 1 2 396.203 3.559 20 10 GHCDLO O=C(c1ccco1)N1CCC2(C1)CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237799896 1042376340 /nfs/dbraw/zinc/37/63/40/1042376340.db2.gz JZOHJGDWQAVCFL-UHFFFAOYSA-N 1 2 392.858 3.906 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(F)cc3OC(C)C)CC2)c(OC)c1 ZINC001238696759 1042689631 /nfs/dbraw/zinc/68/96/31/1042689631.db2.gz ASRVVRUUFPDNAX-UHFFFAOYSA-N 1 2 388.483 3.952 20 10 GHCDLO Cc1cc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c(C)n1-c1cccc(C)c1 ZINC001302263760 1046891039 /nfs/dbraw/zinc/89/10/39/1046891039.db2.gz XRTKWJVQPRXZFT-UHFFFAOYSA-N 1 2 376.504 3.794 20 10 GHCDLO COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2scnc2C)c(Cl)c1 ZINC001279665081 1047904766 /nfs/dbraw/zinc/90/47/66/1047904766.db2.gz FQYUZIJZCOWRGT-OKILXGFUSA-N 1 2 393.940 3.668 20 10 GHCDLO COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2scnc2C)c(Cl)c1 ZINC001279665081 1047904767 /nfs/dbraw/zinc/90/47/67/1047904767.db2.gz FQYUZIJZCOWRGT-OKILXGFUSA-N 1 2 393.940 3.668 20 10 GHCDLO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2scnc2C)c(Cl)c1 ZINC001279665081 1047904772 /nfs/dbraw/zinc/90/47/72/1047904772.db2.gz FQYUZIJZCOWRGT-OKILXGFUSA-N 1 2 393.940 3.668 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2scnc2C)c(Cl)c1 ZINC001279665081 1047904775 /nfs/dbraw/zinc/90/47/75/1047904775.db2.gz FQYUZIJZCOWRGT-OKILXGFUSA-N 1 2 393.940 3.668 20 10 GHCDLO Oc1ccc(C(F)(F)F)cc1C[NH+]1CC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279682738 1047912961 /nfs/dbraw/zinc/91/29/61/1047912961.db2.gz IHSKZDZWORIIAN-UHFFFAOYSA-N 1 2 382.348 3.871 20 10 GHCDLO O=C(c1ccccc1F)N1CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC001308201458 1049910258 /nfs/dbraw/zinc/91/02/58/1049910258.db2.gz HZDWGOZBWVAFJO-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001308370156 1049960887 /nfs/dbraw/zinc/96/08/87/1049960887.db2.gz XTTXUZWLJFZIQZ-HNNXBMFYSA-N 1 2 384.701 3.891 20 10 GHCDLO COc1ncc(Br)cc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308466373 1049982531 /nfs/dbraw/zinc/98/25/31/1049982531.db2.gz JEFSRCHVFSADAP-UHFFFAOYSA-N 1 2 375.625 3.641 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]Cc1ncc(Br)cc1F ZINC001308742516 1050078396 /nfs/dbraw/zinc/07/83/96/1050078396.db2.gz SRFHHXIFEJBGCI-UHFFFAOYSA-N 1 2 390.050 3.741 20 10 GHCDLO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)c(OC)c1 ZINC001308773404 1050089014 /nfs/dbraw/zinc/08/90/14/1050089014.db2.gz JOBUMMQTWVHOHP-LLVKDONJSA-N 1 2 383.847 3.931 20 10 GHCDLO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC001308974627 1050235102 /nfs/dbraw/zinc/23/51/02/1050235102.db2.gz JRXUWSWSXWDLNX-UHFFFAOYSA-N 1 2 384.863 3.743 20 10 GHCDLO C[C@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1cc(F)cc(F)c1O ZINC001320253244 1055724305 /nfs/dbraw/zinc/72/43/05/1055724305.db2.gz RNLJZJKDIBVBOL-JTQLQIEISA-N 1 2 388.336 3.770 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3CC)CC2)cc1 ZINC001320366520 1055772780 /nfs/dbraw/zinc/77/27/80/1055772780.db2.gz RWTZVXRFTPEZCH-GOSISDBHSA-N 1 2 381.520 3.797 20 10 GHCDLO CN1CCN(c2ccc(C[N@H+](C)Cc3cc(F)c(F)c(F)c3)cc2F)CC1 ZINC001324967138 1057255311 /nfs/dbraw/zinc/25/53/11/1057255311.db2.gz KXQZUPQEVVRAPT-UHFFFAOYSA-N 1 2 381.417 3.627 20 10 GHCDLO CN1CCN(c2ccc(C[N@@H+](C)Cc3cc(F)c(F)c(F)c3)cc2F)CC1 ZINC001324967138 1057255314 /nfs/dbraw/zinc/25/53/14/1057255314.db2.gz KXQZUPQEVVRAPT-UHFFFAOYSA-N 1 2 381.417 3.627 20 10 GHCDLO COc1ccc(CCNC(=[NH2+])NCc2cc(Cl)cc(Cl)c2O)cc1OC ZINC000849077486 1057583565 /nfs/dbraw/zinc/58/35/65/1057583565.db2.gz KTGSONMJVBAYDD-UHFFFAOYSA-N 1 2 398.290 3.573 20 10 GHCDLO C[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Br)cc(F)c1O ZINC001337795158 1058266428 /nfs/dbraw/zinc/26/64/28/1058266428.db2.gz BXHXBGBXYJBWTL-NWDGAFQWSA-N 1 2 387.293 3.593 20 10 GHCDLO CCNc1cc(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc[nH+]1 ZINC001466894870 1066374162 /nfs/dbraw/zinc/37/41/62/1066374162.db2.gz DVNFEUDCFFCREG-UHFFFAOYSA-N 1 2 387.447 3.545 20 10 GHCDLO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001473302324 1067229997 /nfs/dbraw/zinc/22/99/97/1067229997.db2.gz OMJZQNQYOLJEDM-OAHLLOKOSA-N 1 2 390.483 3.769 20 10 GHCDLO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001473302324 1067230009 /nfs/dbraw/zinc/23/00/09/1067230009.db2.gz OMJZQNQYOLJEDM-OAHLLOKOSA-N 1 2 390.483 3.769 20 10 GHCDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C[C@@H]1CC=CCC1 ZINC001473302363 1067230393 /nfs/dbraw/zinc/23/03/93/1067230393.db2.gz PCFPLSRVZULBIW-MRXNPFEDSA-N 1 2 388.467 3.689 20 10 GHCDLO C[N@H+](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C[C@@H]1CC=CCC1 ZINC001473302363 1067230396 /nfs/dbraw/zinc/23/03/96/1067230396.db2.gz PCFPLSRVZULBIW-MRXNPFEDSA-N 1 2 388.467 3.689 20 10 GHCDLO CCOC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001473844364 1074170966 /nfs/dbraw/zinc/17/09/66/1074170966.db2.gz AZJGQADXBGCJOT-INIZCTEOSA-N 1 2 380.448 3.926 20 10 GHCDLO CCOC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001473844364 1074170971 /nfs/dbraw/zinc/17/09/71/1074170971.db2.gz AZJGQADXBGCJOT-INIZCTEOSA-N 1 2 380.448 3.926 20 10 GHCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1F ZINC001474351515 1074357988 /nfs/dbraw/zinc/35/79/88/1074357988.db2.gz WMNCDCVKNFCGQP-SFHVURJKSA-N 1 2 387.474 3.815 20 10 GHCDLO CN(C)c1cc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1F ZINC001474351515 1074357996 /nfs/dbraw/zinc/35/79/96/1074357996.db2.gz WMNCDCVKNFCGQP-SFHVURJKSA-N 1 2 387.474 3.815 20 10 GHCDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000179626382 835909375 /nfs/dbraw/zinc/90/93/75/835909375.db2.gz QHGJBEVAHCEIMD-UHFFFAOYSA-N 1 2 395.322 3.947 20 10 GHCDLO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756639657 840794775 /nfs/dbraw/zinc/79/47/75/840794775.db2.gz BLIFTMLMUNLASB-FOGDFJRCSA-N 1 2 378.694 3.653 20 10 GHCDLO O=C1/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1CCc1cccnc1 ZINC000255310481 841514768 /nfs/dbraw/zinc/51/47/68/841514768.db2.gz YGRSHLDLYHFODJ-PDGQHHTCSA-N 1 2 392.509 3.711 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1O ZINC000125672083 842647692 /nfs/dbraw/zinc/64/76/92/842647692.db2.gz NQXDNPZXJAQUQC-QGZVFWFLSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1O ZINC000125672083 842647697 /nfs/dbraw/zinc/64/76/97/842647697.db2.gz NQXDNPZXJAQUQC-QGZVFWFLSA-N 1 2 378.266 3.737 20 10 GHCDLO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH2+]Cc2c(O)cccc2F)on1 ZINC000896637725 861347910 /nfs/dbraw/zinc/34/79/10/861347910.db2.gz LKFPGGKHXIRRRA-UHFFFAOYSA-N 1 2 379.432 3.569 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000731121163 861466527 /nfs/dbraw/zinc/46/65/27/861466527.db2.gz PCGPPZFNALSUDH-OAQYLSRUSA-N 1 2 381.524 3.666 20 10 GHCDLO Cc1cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000729449260 851220878 /nfs/dbraw/zinc/22/08/78/851220878.db2.gz OVZCUEONIFRPMJ-HZPDHXFCSA-N 1 2 389.927 3.587 20 10 GHCDLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cc2c(cc1O)CCCC2 ZINC000186430428 855236952 /nfs/dbraw/zinc/23/69/52/855236952.db2.gz ZRPWRRFOXWPYKS-OAHLLOKOSA-N 1 2 378.476 3.819 20 10 GHCDLO C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cc(Br)c(F)cc1O ZINC000756359682 856706132 /nfs/dbraw/zinc/70/61/32/856706132.db2.gz QIMIPFJMXNPRRK-RYUDHWBXSA-N 1 2 376.266 3.530 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000227022222 858379138 /nfs/dbraw/zinc/37/91/38/858379138.db2.gz RZPMJABXQXIZNR-ZDUSSCGKSA-N 1 2 385.302 3.644 20 10 GHCDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2cc(Br)ccc2O)C(C)(C)C1 ZINC000761214208 859327448 /nfs/dbraw/zinc/32/74/48/859327448.db2.gz ACJZYTLKCYOFQS-UHFFFAOYSA-N 1 2 383.330 3.624 20 10 GHCDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2cc(Br)ccc2O)C(C)(C)C1 ZINC000761214208 859327458 /nfs/dbraw/zinc/32/74/58/859327458.db2.gz ACJZYTLKCYOFQS-UHFFFAOYSA-N 1 2 383.330 3.624 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c(C(F)(F)F)c1 ZINC000792775909 881688279 /nfs/dbraw/zinc/68/82/79/881688279.db2.gz CNXGDFIIPPHIEM-GOSISDBHSA-N 1 2 395.425 3.645 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c(C(F)(F)F)c1 ZINC000792775909 881688288 /nfs/dbraw/zinc/68/82/88/881688288.db2.gz CNXGDFIIPPHIEM-GOSISDBHSA-N 1 2 395.425 3.645 20 10 GHCDLO CC1(C)C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000127233285 866368791 /nfs/dbraw/zinc/36/87/91/866368791.db2.gz IXCMNDGPSYXFCC-LLVKDONJSA-N 1 2 393.119 3.964 20 10 GHCDLO CC[C@@H](C)[N@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000862387267 886341430 /nfs/dbraw/zinc/34/14/30/886341430.db2.gz JHZYYLTVUZSVFV-SECBINFHSA-N 1 2 381.108 3.510 20 10 GHCDLO CC[C@@H](C)[N@@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000862387267 886341448 /nfs/dbraw/zinc/34/14/48/886341448.db2.gz JHZYYLTVUZSVFV-SECBINFHSA-N 1 2 381.108 3.510 20 10 GHCDLO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)[C@@H](C)O1 ZINC000840963990 867055781 /nfs/dbraw/zinc/05/57/81/867055781.db2.gz PZCYUVBKVXGUHI-OPRDCNLKSA-N 1 2 393.119 3.820 20 10 GHCDLO C[C@H]1CCCN(c2cc(NCc3cc(Br)ccc3O)[nH+]cn2)C1 ZINC000804827427 867989115 /nfs/dbraw/zinc/98/91/15/867989115.db2.gz RLPYSVAGQHTPCH-LBPRGKRZSA-N 1 2 377.286 3.793 20 10 GHCDLO C[C@H]1CCCN(c2cc(NCc3cc(Br)ccc3O)nc[nH+]2)C1 ZINC000804827427 867989122 /nfs/dbraw/zinc/98/91/22/867989122.db2.gz RLPYSVAGQHTPCH-LBPRGKRZSA-N 1 2 377.286 3.793 20 10 GHCDLO CN(C)c1ccc(-c2nc(C(=O)N3CCC(n4cc[nH+]c4)CC3)cs2)cc1 ZINC001193172127 870905610 /nfs/dbraw/zinc/90/56/10/870905610.db2.gz AQJOARHAZCXYRC-UHFFFAOYSA-N 1 2 381.505 3.550 20 10 GHCDLO C[N@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CCC(C)(C)C1 ZINC001194042057 871459181 /nfs/dbraw/zinc/45/91/81/871459181.db2.gz JTHXAYVDZCESNB-HNNXBMFYSA-N 1 2 390.483 3.911 20 10 GHCDLO C[N@@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CCC(C)(C)C1 ZINC001194042057 871459191 /nfs/dbraw/zinc/45/91/91/871459191.db2.gz JTHXAYVDZCESNB-HNNXBMFYSA-N 1 2 390.483 3.911 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921200532 882664326 /nfs/dbraw/zinc/66/43/26/882664326.db2.gz ANGHXIDZCILCLV-UHFFFAOYSA-N 1 2 377.492 3.718 20 10 GHCDLO Cc1cc(Br)cc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c1O ZINC000775735172 873267334 /nfs/dbraw/zinc/26/73/34/873267334.db2.gz JZMQUIKJFNKGQU-NSHDSACASA-N 1 2 381.236 3.532 20 10 GHCDLO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000769238755 873913244 /nfs/dbraw/zinc/91/32/44/873913244.db2.gz DLPGMGZDVATSHB-HXUWFJFHSA-N 1 2 377.444 3.893 20 10 GHCDLO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000769238755 873913247 /nfs/dbraw/zinc/91/32/47/873913247.db2.gz DLPGMGZDVATSHB-HXUWFJFHSA-N 1 2 377.444 3.893 20 10 GHCDLO C[C@@H]([NH2+][C@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000775835713 874332301 /nfs/dbraw/zinc/33/23/01/874332301.db2.gz IIDHFJYMEWKSFG-HUUCEWRRSA-N 1 2 377.496 3.675 20 10 GHCDLO COc1ccc([C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)N(C)C)cc1OC ZINC001198927923 874711486 /nfs/dbraw/zinc/71/14/86/874711486.db2.gz WKQNSEZXYGNFJW-MRXNPFEDSA-N 1 2 382.863 3.594 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc(F)cn1 ZINC000776251339 876031495 /nfs/dbraw/zinc/03/14/95/876031495.db2.gz BINQPRSRZHTAFV-UHFFFAOYSA-N 1 2 390.050 3.741 20 10 GHCDLO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cc(Br)c(F)cc1O ZINC000786936595 877066485 /nfs/dbraw/zinc/06/64/85/877066485.db2.gz GCSLMQNOFLZYID-NSHDSACASA-N 1 2 391.244 3.725 20 10 GHCDLO Cn1nc(Br)cc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000787037623 877112804 /nfs/dbraw/zinc/11/28/04/877112804.db2.gz AGHHHHDQRMDOMG-UHFFFAOYSA-N 1 2 376.254 3.684 20 10 GHCDLO Cn1nc(Br)cc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000787037623 877112810 /nfs/dbraw/zinc/11/28/10/877112810.db2.gz AGHHHHDQRMDOMG-UHFFFAOYSA-N 1 2 376.254 3.684 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000858449708 883104253 /nfs/dbraw/zinc/10/42/53/883104253.db2.gz RPXMLDNVPJODLQ-QPUJVOFHSA-N 1 2 396.182 3.945 20 10 GHCDLO Cc1cccn2cc(CCNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)[nH+]c12 ZINC000746777021 878524901 /nfs/dbraw/zinc/52/49/01/878524901.db2.gz ZEVSOYJJYNTMJC-UHFFFAOYSA-N 1 2 391.519 3.625 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000852744043 878573113 /nfs/dbraw/zinc/57/31/13/878573113.db2.gz PREHUUCMOQZFSS-BEFAXECRSA-N 1 2 386.458 3.844 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000852744043 878573123 /nfs/dbraw/zinc/57/31/23/878573123.db2.gz PREHUUCMOQZFSS-BEFAXECRSA-N 1 2 386.458 3.844 20 10 GHCDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000789725845 879233137 /nfs/dbraw/zinc/23/31/37/879233137.db2.gz DWHVQWFBLKMXGD-UHFFFAOYSA-N 1 2 379.532 3.734 20 10 GHCDLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000181077898 879673080 /nfs/dbraw/zinc/67/30/80/879673080.db2.gz FZZQYDPJNVIBIW-IAGOWNOFSA-N 1 2 396.384 3.568 20 10 GHCDLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000181077898 879673091 /nfs/dbraw/zinc/67/30/91/879673091.db2.gz FZZQYDPJNVIBIW-IAGOWNOFSA-N 1 2 396.384 3.568 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2C)cc1 ZINC000152775427 879680223 /nfs/dbraw/zinc/68/02/23/879680223.db2.gz QOUZNVHZYVURRE-GOSISDBHSA-N 1 2 390.487 3.506 20 10 GHCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)c1 ZINC000776726296 879708454 /nfs/dbraw/zinc/70/84/54/879708454.db2.gz IJYOVFYJLZXFQV-NTUHNPAUSA-N 1 2 377.878 3.853 20 10 GHCDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC)cc2O)n1 ZINC000792195849 880981463 /nfs/dbraw/zinc/98/14/63/880981463.db2.gz GDWFXDSXSFEEQI-INIZCTEOSA-N 1 2 376.478 3.761 20 10 GHCDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2ccc(OCC)cc2O)n1 ZINC000792195849 880981481 /nfs/dbraw/zinc/98/14/81/880981481.db2.gz GDWFXDSXSFEEQI-INIZCTEOSA-N 1 2 376.478 3.761 20 10 GHCDLO OC[C@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1cccc(Br)c1 ZINC000763446071 881171280 /nfs/dbraw/zinc/17/12/80/881171280.db2.gz UTLSHAPFLVIQQV-ZDUSSCGKSA-N 1 2 384.701 3.749 20 10 GHCDLO Cc1cc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(C)n1-c1cccc(C)c1 ZINC000858904928 883443879 /nfs/dbraw/zinc/44/38/79/883443879.db2.gz CRUMAHZMMOLAOM-IBGZPJMESA-N 1 2 391.519 3.835 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1ccncc1Br)C[C@@H]1CCCO1 ZINC000859190476 883647363 /nfs/dbraw/zinc/64/73/63/883647363.db2.gz LPMVGRPGCWLYDL-INIZCTEOSA-N 1 2 377.282 3.731 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1ccncc1Br)C[C@@H]1CCCO1 ZINC000859190476 883647365 /nfs/dbraw/zinc/64/73/65/883647365.db2.gz LPMVGRPGCWLYDL-INIZCTEOSA-N 1 2 377.282 3.731 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)[C@H]1CCCOC1 ZINC000809693708 887669912 /nfs/dbraw/zinc/66/99/12/887669912.db2.gz YZJFTXVZLZJSHX-NSHDSACASA-N 1 2 379.092 3.528 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@H]1CCCOC1 ZINC000809693708 887669924 /nfs/dbraw/zinc/66/99/24/887669924.db2.gz YZJFTXVZLZJSHX-NSHDSACASA-N 1 2 379.092 3.528 20 10 GHCDLO CCC[C@]1([NH2+]Cc2cc(Br)cc(Br)c2O)CCOC1 ZINC000809704123 887722782 /nfs/dbraw/zinc/72/27/82/887722782.db2.gz VUASPQCMHYJGEW-AWEZNQCLSA-N 1 2 393.119 3.966 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(=O)C(C)C)CC2)c(C)n1-c1ccccc1 ZINC000917109809 891271346 /nfs/dbraw/zinc/27/13/46/891271346.db2.gz HLFPNPPKRHGWQY-UHFFFAOYSA-N 1 2 381.520 3.513 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774845577 913740933 /nfs/dbraw/zinc/74/09/33/913740933.db2.gz IXXAVGHIPXRUJW-KRWDZBQOSA-N 1 2 382.420 3.533 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774845577 913740945 /nfs/dbraw/zinc/74/09/45/913740945.db2.gz IXXAVGHIPXRUJW-KRWDZBQOSA-N 1 2 382.420 3.533 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000918229959 893372142 /nfs/dbraw/zinc/37/21/42/893372142.db2.gz YLRZNFKUUGIAHV-UHFFFAOYSA-N 1 2 386.565 3.622 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000877470629 893627699 /nfs/dbraw/zinc/62/76/99/893627699.db2.gz LDYQGOULZNADPA-MRXNPFEDSA-N 1 2 384.524 3.929 20 10 GHCDLO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816566859 894948855 /nfs/dbraw/zinc/94/88/55/894948855.db2.gz JDJVQFWAYSNYRH-OAHLLOKOSA-N 1 2 398.887 3.591 20 10 GHCDLO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816566859 894948861 /nfs/dbraw/zinc/94/88/61/894948861.db2.gz JDJVQFWAYSNYRH-OAHLLOKOSA-N 1 2 398.887 3.591 20 10 GHCDLO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816601127 894963729 /nfs/dbraw/zinc/96/37/29/894963729.db2.gz SGORDLCZEFKGBB-INIZCTEOSA-N 1 2 376.859 3.508 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1nnc2n1CCCCC2 ZINC000882959654 897148227 /nfs/dbraw/zinc/14/82/27/897148227.db2.gz MJQLQYRCPIJQFS-CQSZACIVSA-N 1 2 397.292 3.853 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc([S@@](C)=O)cc1 ZINC000883076165 897256973 /nfs/dbraw/zinc/25/69/73/897256973.db2.gz WDKLORPJNNAGFP-MLMJSJRWSA-N 1 2 386.286 3.882 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307894 901699668 /nfs/dbraw/zinc/69/96/68/901699668.db2.gz LBSGSZGKWMFKIN-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307894 901699671 /nfs/dbraw/zinc/69/96/71/901699671.db2.gz LBSGSZGKWMFKIN-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO CCCN(Cc1ccccc1O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890262643 904969204 /nfs/dbraw/zinc/96/92/04/904969204.db2.gz QNLZOTXLQWVRGN-FQEVSTJZSA-N 1 2 378.476 3.952 20 10 GHCDLO O=C(c1ccccn1)c1cc(Cl)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174980545 907331428 /nfs/dbraw/zinc/33/14/28/907331428.db2.gz VWCSDGRLNAMZAL-UHFFFAOYSA-N 1 2 394.862 3.941 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001180788001 910342123 /nfs/dbraw/zinc/34/21/23/910342123.db2.gz RMMHVXGIQFJFBN-STQMWFEESA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001180788001 910342129 /nfs/dbraw/zinc/34/21/29/910342129.db2.gz RMMHVXGIQFJFBN-STQMWFEESA-N 1 2 384.904 3.884 20 10 GHCDLO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1cccc(Br)c1O ZINC001181465521 910778536 /nfs/dbraw/zinc/77/85/36/910778536.db2.gz YTYCIZWDSWHGBH-LBPRGKRZSA-N 1 2 378.266 3.994 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1cc(Br)c(F)cc1O ZINC000903341688 922942896 /nfs/dbraw/zinc/94/28/96/922942896.db2.gz QPYJAUWLUQFEOJ-ZETCQYMHSA-N 1 2 396.182 3.897 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000725851432 926468723 /nfs/dbraw/zinc/46/87/23/926468723.db2.gz PYFBHHQODKYOFI-UHFFFAOYSA-N 1 2 399.292 3.813 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1CCCSCC1 ZINC000780892533 930629885 /nfs/dbraw/zinc/62/98/85/930629885.db2.gz IIRCBKFXQHGXNI-UHFFFAOYSA-N 1 2 381.133 3.856 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CCCSCC1 ZINC000780892533 930629889 /nfs/dbraw/zinc/62/98/89/930629889.db2.gz IIRCBKFXQHGXNI-UHFFFAOYSA-N 1 2 381.133 3.856 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000781912346 931025431 /nfs/dbraw/zinc/02/54/31/931025431.db2.gz PGKFDYWUJFTQSP-QGZVFWFLSA-N 1 2 378.266 3.742 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000781912346 931025441 /nfs/dbraw/zinc/02/54/41/931025441.db2.gz PGKFDYWUJFTQSP-QGZVFWFLSA-N 1 2 378.266 3.742 20 10 GHCDLO CCN1C(=O)/C(=C\c2c[nH+]c3c(C)cc(Br)cn23)SC1=S ZINC000783697831 931621794 /nfs/dbraw/zinc/62/17/94/931621794.db2.gz RUGVFTCZPRNQIB-VZUCSPMQSA-N 1 2 382.308 3.626 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001137834931 935813976 /nfs/dbraw/zinc/81/39/76/935813976.db2.gz ZBJJNEHVAUAQAO-QGZVFWFLSA-N 1 2 385.483 3.664 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001137834931 935813977 /nfs/dbraw/zinc/81/39/77/935813977.db2.gz ZBJJNEHVAUAQAO-QGZVFWFLSA-N 1 2 385.483 3.664 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2nnn(CC)c21 ZINC001137856331 935827849 /nfs/dbraw/zinc/82/78/49/935827849.db2.gz ZNUKNUSOGJIMIE-FQEVSTJZSA-N 1 2 393.535 3.841 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2nnn(CC)c21 ZINC001137856331 935827852 /nfs/dbraw/zinc/82/78/52/935827852.db2.gz ZNUKNUSOGJIMIE-FQEVSTJZSA-N 1 2 393.535 3.841 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001204238154 1032683212 /nfs/dbraw/zinc/68/32/12/1032683212.db2.gz OLPZXJPPOAUCAS-SFHVURJKSA-N 1 2 388.414 3.599 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001204238154 1032683221 /nfs/dbraw/zinc/68/32/21/1032683221.db2.gz OLPZXJPPOAUCAS-SFHVURJKSA-N 1 2 388.414 3.599 20 10 GHCDLO CCOC(=O)c1nc2c(o1)CC[N@H+](Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204240324 1032685287 /nfs/dbraw/zinc/68/52/87/1032685287.db2.gz OSFPQJCAAKUOCS-UHFFFAOYSA-N 1 2 379.460 3.629 20 10 GHCDLO CCOC(=O)c1nc2c(o1)CC[N@@H+](Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204240324 1032685289 /nfs/dbraw/zinc/68/52/89/1032685289.db2.gz OSFPQJCAAKUOCS-UHFFFAOYSA-N 1 2 379.460 3.629 20 10 GHCDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(N4CCCC4)cc3)cn2c1 ZINC000194233346 1020964326 /nfs/dbraw/zinc/96/43/26/1020964326.db2.gz NQVRMMXBABSBRM-UHFFFAOYSA-N 1 2 394.544 3.793 20 10 GHCDLO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC000092586940 1021085301 /nfs/dbraw/zinc/08/53/01/1021085301.db2.gz MGMZDLGVOSEZRA-UHFFFAOYSA-N 1 2 392.858 3.541 20 10 GHCDLO CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140338361 1021445257 /nfs/dbraw/zinc/44/52/57/1021445257.db2.gz GTTJYZMUHSSCMU-UHFFFAOYSA-N 1 2 375.900 3.747 20 10 GHCDLO CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140338361 1021445261 /nfs/dbraw/zinc/44/52/61/1021445261.db2.gz GTTJYZMUHSSCMU-UHFFFAOYSA-N 1 2 375.900 3.747 20 10 GHCDLO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000756430230 1023643908 /nfs/dbraw/zinc/64/39/08/1023643908.db2.gz JXEBGKMSPGRTOJ-STQMWFEESA-N 1 2 390.430 3.740 20 10 GHCDLO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(Br)c(F)cc1O ZINC000756440025 1023650815 /nfs/dbraw/zinc/65/08/15/1023650815.db2.gz BZERVOPSOIGANB-LLVKDONJSA-N 1 2 387.293 3.783 20 10 GHCDLO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)c1 ZINC000756460399 1023663864 /nfs/dbraw/zinc/66/38/64/1023663864.db2.gz PPJZNDQSXUIFCS-LBPRGKRZSA-N 1 2 395.272 3.683 20 10 GHCDLO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756532235 1023701089 /nfs/dbraw/zinc/70/10/89/1023701089.db2.gz FJLHWAXJOBBFHI-JTQLQIEISA-N 1 2 391.281 3.859 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000756611529 1023737860 /nfs/dbraw/zinc/73/78/60/1023737860.db2.gz WLRQFTVRTRLKDJ-MDOVXXIYSA-N 1 2 376.447 3.611 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccon1)c1cc(Br)cc(Br)c1O ZINC000756638043 1023748573 /nfs/dbraw/zinc/74/85/73/1023748573.db2.gz RBLIYHJFYXWMHF-SSDOTTSWSA-N 1 2 376.048 3.756 20 10 GHCDLO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756713102 1023784761 /nfs/dbraw/zinc/78/47/61/1023784761.db2.gz TYSLKGSDODDXLD-ZUZCIYMTSA-N 1 2 384.245 3.687 20 10 GHCDLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc(Br)c(F)cc1O ZINC000756800663 1023819351 /nfs/dbraw/zinc/81/93/51/1023819351.db2.gz CDYZFBGEFQFSRD-LLVKDONJSA-N 1 2 396.260 3.699 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001139127245 1025938968 /nfs/dbraw/zinc/93/89/68/1025938968.db2.gz IDENWVZDMALFOM-UHFFFAOYSA-N 1 2 383.488 3.978 20 10 GHCDLO Cc1cccc(O[C@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130273 1025943626 /nfs/dbraw/zinc/94/36/26/1025943626.db2.gz WLTVMLXUAJJTLR-INIZCTEOSA-N 1 2 380.444 3.554 20 10 GHCDLO Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130273 1025943632 /nfs/dbraw/zinc/94/36/32/1025943632.db2.gz WLTVMLXUAJJTLR-INIZCTEOSA-N 1 2 380.444 3.554 20 10 GHCDLO Oc1ccc(F)cc1C[N@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001140062634 1026841994 /nfs/dbraw/zinc/84/19/94/1026841994.db2.gz CDHOIYMUQJNESC-GOSISDBHSA-N 1 2 385.483 3.664 20 10 GHCDLO COC[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203563118 1027436084 /nfs/dbraw/zinc/43/60/84/1027436084.db2.gz VTEFWWJQNQAAQE-NSHDSACASA-N 1 2 379.092 3.528 20 10 GHCDLO COC[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203563118 1027436092 /nfs/dbraw/zinc/43/60/92/1027436092.db2.gz VTEFWWJQNQAAQE-NSHDSACASA-N 1 2 379.092 3.528 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)Cc2cn(CC)nc21 ZINC001203643275 1027501205 /nfs/dbraw/zinc/50/12/05/1027501205.db2.gz NHTDKTWHXRPSCJ-HNNXBMFYSA-N 1 2 394.313 3.507 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)Cc2cn(CC)nc21 ZINC001203643275 1027501215 /nfs/dbraw/zinc/50/12/15/1027501215.db2.gz NHTDKTWHXRPSCJ-HNNXBMFYSA-N 1 2 394.313 3.507 20 10 GHCDLO Oc1ccc(Br)cc1C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001203650474 1027507860 /nfs/dbraw/zinc/50/78/60/1027507860.db2.gz UXRBUNYGDKSAHN-UHFFFAOYSA-N 1 2 384.277 3.899 20 10 GHCDLO Oc1ccc(Br)cc1C[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001203650474 1027507876 /nfs/dbraw/zinc/50/78/76/1027507876.db2.gz UXRBUNYGDKSAHN-UHFFFAOYSA-N 1 2 384.277 3.899 20 10 GHCDLO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000840979090 1028020001 /nfs/dbraw/zinc/02/00/01/1028020001.db2.gz RISVYJQFUJIOGB-UWVGGRQHSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000840979090 1028020021 /nfs/dbraw/zinc/02/00/21/1028020021.db2.gz RISVYJQFUJIOGB-UWVGGRQHSA-N 1 2 393.119 3.510 20 10 GHCDLO OC[C@@]1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCc2ccccc21 ZINC001461361293 1069519064 /nfs/dbraw/zinc/51/90/64/1069519064.db2.gz YPEHUEJJTIFUPK-KRWDZBQOSA-N 1 2 382.685 3.732 20 10 GHCDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000841297091 1028388057 /nfs/dbraw/zinc/38/80/57/1028388057.db2.gz NDBDJIVMCBBPQA-SJLPKXTDSA-N 1 2 378.398 3.643 20 10 GHCDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000841297091 1028388071 /nfs/dbraw/zinc/38/80/71/1028388071.db2.gz NDBDJIVMCBBPQA-SJLPKXTDSA-N 1 2 378.398 3.643 20 10 GHCDLO CC(C)(C)c1ccnc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1 ZINC001217056141 1030128850 /nfs/dbraw/zinc/12/88/50/1030128850.db2.gz FLOFVYQCXXCDFG-UHFFFAOYSA-N 1 2 394.475 3.634 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967645 1030979451 /nfs/dbraw/zinc/97/94/51/1030979451.db2.gz RRTHSAHGYHTUGA-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967645 1030979454 /nfs/dbraw/zinc/97/94/54/1030979454.db2.gz RRTHSAHGYHTUGA-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO CC(C)=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277387127 1033479456 /nfs/dbraw/zinc/47/94/56/1033479456.db2.gz GHDIUYVCRGWZRT-INIZCTEOSA-N 1 2 380.891 3.869 20 10 GHCDLO Cc1cc(C)c(C[N@@H+]2CCn3c(COCC4CCOCC4)cnc3[C@@H]2C)c(O)c1 ZINC001231845208 1034939768 /nfs/dbraw/zinc/93/97/68/1034939768.db2.gz XFNUCGFSSOGHNB-SFHVURJKSA-N 1 2 399.535 3.726 20 10 GHCDLO Cc1cc(C)c(C[N@H+]2CCn3c(COCC4CCOCC4)cnc3[C@@H]2C)c(O)c1 ZINC001231845208 1034939769 /nfs/dbraw/zinc/93/97/69/1034939769.db2.gz XFNUCGFSSOGHNB-SFHVURJKSA-N 1 2 399.535 3.726 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1ccc(N(C)C)cc1OC)C[C@@H]2COCC1CC1 ZINC001231851322 1034942560 /nfs/dbraw/zinc/94/25/60/1034942560.db2.gz FDNKHQLFEVGQFS-LJQANCHMSA-N 1 2 398.551 3.504 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1ccc(N(C)C)cc1OC)C[C@@H]2COCC1CC1 ZINC001231851322 1034942563 /nfs/dbraw/zinc/94/25/63/1034942563.db2.gz FDNKHQLFEVGQFS-LJQANCHMSA-N 1 2 398.551 3.504 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2c1cnn2CC1CC1 ZINC001231852240 1034942846 /nfs/dbraw/zinc/94/28/46/1034942846.db2.gz ICXXNTJAROUXDA-IBGZPJMESA-N 1 2 398.551 3.504 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2c1cnn2CC1CC1 ZINC001231852240 1034942850 /nfs/dbraw/zinc/94/28/50/1034942850.db2.gz ICXXNTJAROUXDA-IBGZPJMESA-N 1 2 398.551 3.504 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)cc1Cl ZINC001231869360 1034956028 /nfs/dbraw/zinc/95/60/28/1034956028.db2.gz MQMYRQSBMLNYSX-YTQUADARSA-N 1 2 392.858 3.699 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)cc1Cl ZINC001231869360 1034956030 /nfs/dbraw/zinc/95/60/30/1034956030.db2.gz MQMYRQSBMLNYSX-YTQUADARSA-N 1 2 392.858 3.699 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001231911166 1034985756 /nfs/dbraw/zinc/98/57/56/1034985756.db2.gz DUCTYANVRBZTGS-IDHHARJASA-N 1 2 394.924 3.698 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001231911166 1034985760 /nfs/dbraw/zinc/98/57/60/1034985760.db2.gz DUCTYANVRBZTGS-IDHHARJASA-N 1 2 394.924 3.698 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001231911657 1034986793 /nfs/dbraw/zinc/98/67/93/1034986793.db2.gz OKDGPHSYIAQHEE-YFVAEKQCSA-N 1 2 388.895 3.637 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001231911657 1034986799 /nfs/dbraw/zinc/98/67/99/1034986799.db2.gz OKDGPHSYIAQHEE-YFVAEKQCSA-N 1 2 388.895 3.637 20 10 GHCDLO C[C@H]1C[NH+](Cc2ccc(Br)cc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001461987053 1069930146 /nfs/dbraw/zinc/93/01/46/1069930146.db2.gz OFIKHWPMMYZGBG-STQMWFEESA-N 1 2 399.329 3.984 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3cccc(Br)c3N)CC2)cc1 ZINC001232528843 1038295702 /nfs/dbraw/zinc/29/57/02/1038295702.db2.gz OWTOLHUSQVLVCU-UHFFFAOYSA-N 1 2 390.325 3.752 20 10 GHCDLO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2O)C1=O ZINC001462265312 1070131872 /nfs/dbraw/zinc/13/18/72/1070131872.db2.gz CZVGTDASOVGXBJ-SJKOYZFVSA-N 1 2 378.394 3.651 20 10 GHCDLO CC(C)(C)OC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233016115 1038769787 /nfs/dbraw/zinc/76/97/87/1038769787.db2.gz MVMPDZXMJPAWPD-UHFFFAOYSA-N 1 2 386.448 3.709 20 10 GHCDLO CC(C)(C)OC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233016115 1038769797 /nfs/dbraw/zinc/76/97/97/1038769797.db2.gz MVMPDZXMJPAWPD-UHFFFAOYSA-N 1 2 386.448 3.709 20 10 GHCDLO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233029384 1038780025 /nfs/dbraw/zinc/78/00/25/1038780025.db2.gz CCDBORLGMBBYTC-GOSISDBHSA-N 1 2 399.304 3.661 20 10 GHCDLO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233029384 1038780039 /nfs/dbraw/zinc/78/00/39/1038780039.db2.gz CCDBORLGMBBYTC-GOSISDBHSA-N 1 2 399.304 3.661 20 10 GHCDLO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1c(O)cc(Br)cc1F ZINC001233028068 1038780532 /nfs/dbraw/zinc/78/05/32/1038780532.db2.gz IBHIVBVELFCLLG-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1c(O)cc(Br)cc1F ZINC001233028068 1038780547 /nfs/dbraw/zinc/78/05/47/1038780547.db2.gz IBHIVBVELFCLLG-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO OC[C@@H]1CCC(F)(F)C[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233193988 1038960027 /nfs/dbraw/zinc/96/00/27/1038960027.db2.gz JGROTUIYNGRFON-ZDUSSCGKSA-N 1 2 386.236 3.900 20 10 GHCDLO OC[C@@H]1CCC(F)(F)C[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233193988 1038960030 /nfs/dbraw/zinc/96/00/30/1038960030.db2.gz JGROTUIYNGRFON-ZDUSSCGKSA-N 1 2 386.236 3.900 20 10 GHCDLO COc1cc(Cl)cc(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)c1O ZINC001233287922 1039069122 /nfs/dbraw/zinc/06/91/22/1039069122.db2.gz NKOFJAVEUOAPFM-UHFFFAOYSA-N 1 2 382.888 3.640 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233290536 1039072976 /nfs/dbraw/zinc/07/29/76/1039072976.db2.gz IMPMGYISLKFUOU-GJZGRUSLSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233290536 1039072995 /nfs/dbraw/zinc/07/29/95/1039072995.db2.gz IMPMGYISLKFUOU-GJZGRUSLSA-N 1 2 382.888 3.638 20 10 GHCDLO COC(=O)c1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)cc1 ZINC001233418548 1039280590 /nfs/dbraw/zinc/28/05/90/1039280590.db2.gz LTUCGXXRWAUQNU-UHFFFAOYSA-N 1 2 394.393 3.520 20 10 GHCDLO Oc1ccc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)cc1C[NH+]1CCOCC1 ZINC001254705291 1040465334 /nfs/dbraw/zinc/46/53/34/1040465334.db2.gz DCWIYUQFXDEWLK-RTBURBONSA-N 1 2 377.444 3.546 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235220615 1040700663 /nfs/dbraw/zinc/70/06/63/1040700663.db2.gz IBQKBBKOKKUAIC-DOTOQJQBSA-N 1 2 393.712 3.879 20 10 GHCDLO O=C([C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2O)C1)N1CCCCC1 ZINC001235301751 1040775454 /nfs/dbraw/zinc/77/54/54/1040775454.db2.gz IAFCKBUOBLUSBT-ZDUSSCGKSA-N 1 2 399.304 3.518 20 10 GHCDLO O=C([C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2O)C1)N1CCCCC1 ZINC001235301751 1040775476 /nfs/dbraw/zinc/77/54/76/1040775476.db2.gz IAFCKBUOBLUSBT-ZDUSSCGKSA-N 1 2 399.304 3.518 20 10 GHCDLO COc1cc(C)nc(OC2CC[NH+](Cc3cc(Cl)c(Cl)cc3O)CC2)n1 ZINC001236801074 1041900524 /nfs/dbraw/zinc/90/05/24/1041900524.db2.gz AHTAHKPEQUQRJB-UHFFFAOYSA-N 1 2 398.290 3.849 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)c(O)c1Cl ZINC001236802083 1041904128 /nfs/dbraw/zinc/90/41/28/1041904128.db2.gz OCNFVRVIRZGPHN-ZDUSSCGKSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)c(O)c1Cl ZINC001236802083 1041904130 /nfs/dbraw/zinc/90/41/30/1041904130.db2.gz OCNFVRVIRZGPHN-ZDUSSCGKSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801553 1041904190 /nfs/dbraw/zinc/90/41/90/1041904190.db2.gz JHRHEKKTVJJJHM-UKRRQHHQSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801553 1041904194 /nfs/dbraw/zinc/90/41/94/1041904194.db2.gz JHRHEKKTVJJJHM-UKRRQHHQSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c(O)c1Cl ZINC001236807123 1041907856 /nfs/dbraw/zinc/90/78/56/1041907856.db2.gz MXBXUPJBNPWZCP-UHFFFAOYSA-N 1 2 383.879 3.925 20 10 GHCDLO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278043677 1041998149 /nfs/dbraw/zinc/99/81/49/1041998149.db2.gz MWXUWWGQRBFNBJ-KZULUSFZSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278043677 1041998151 /nfs/dbraw/zinc/99/81/51/1041998151.db2.gz MWXUWWGQRBFNBJ-KZULUSFZSA-N 1 2 399.304 3.517 20 10 GHCDLO O=C1c2ccccc2CN1[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237085660 1042028556 /nfs/dbraw/zinc/02/85/56/1042028556.db2.gz FDZPFRVJLAQPML-ZDUSSCGKSA-N 1 2 377.271 3.929 20 10 GHCDLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237115361 1042046525 /nfs/dbraw/zinc/04/65/25/1042046525.db2.gz RQHOPDXKCQBEHK-HNNXBMFYSA-N 1 2 383.366 3.507 20 10 GHCDLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237115361 1042046530 /nfs/dbraw/zinc/04/65/30/1042046530.db2.gz RQHOPDXKCQBEHK-HNNXBMFYSA-N 1 2 383.366 3.507 20 10 GHCDLO CCn1c2ccccc2nc1N1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237125209 1042053054 /nfs/dbraw/zinc/05/30/54/1042053054.db2.gz ALGQMZSABUUGCX-UHFFFAOYSA-N 1 2 388.874 3.877 20 10 GHCDLO O=C1NC[C@H](c2ccccc2)C12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237620561 1042287943 /nfs/dbraw/zinc/28/79/43/1042287943.db2.gz VIMKJWAQUCJJOC-QGZVFWFLSA-N 1 2 388.870 3.681 20 10 GHCDLO O=C1Nc2ncccc2C2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)O1 ZINC001237621229 1042288574 /nfs/dbraw/zinc/28/85/74/1042288574.db2.gz XRRMXZYSUNNOIM-UHFFFAOYSA-N 1 2 377.803 3.633 20 10 GHCDLO CO[C@H](C[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1)c1ccccc1 ZINC001237623064 1042289698 /nfs/dbraw/zinc/28/96/98/1042289698.db2.gz GMQXTIJFSQYQSW-LJQANCHMSA-N 1 2 378.875 3.690 20 10 GHCDLO Cc1[nH+]cc2n1CCN(Cc1cc(Br)cc(C(F)(F)F)c1O)C2 ZINC001237784121 1042367557 /nfs/dbraw/zinc/36/75/57/1042367557.db2.gz QDHMWJRSMQIVNS-UHFFFAOYSA-N 1 2 390.203 3.694 20 10 GHCDLO Oc1c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792102 1042372900 /nfs/dbraw/zinc/37/29/00/1042372900.db2.gz OUCNQWQIJYQREP-VWUVDNNOSA-N 1 2 392.215 3.783 20 10 GHCDLO Oc1c(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792102 1042372903 /nfs/dbraw/zinc/37/29/03/1042372903.db2.gz OUCNQWQIJYQREP-VWUVDNNOSA-N 1 2 392.215 3.783 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC2(CCCN2c2ncccn2)CC1 ZINC001237800249 1042376267 /nfs/dbraw/zinc/37/62/67/1042376267.db2.gz NJCKAZVDGYENRF-UHFFFAOYSA-N 1 2 376.863 3.610 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1)c1cccc(F)c1 ZINC001237801252 1042377168 /nfs/dbraw/zinc/37/71/68/1042377168.db2.gz FYTURYRXSWLVNA-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO C[N@@H+](Cc1cc(F)cc(Cl)c1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237800823 1042377527 /nfs/dbraw/zinc/37/75/27/1042377527.db2.gz BXAPPGREUYMVBH-GOSISDBHSA-N 1 2 378.875 3.518 20 10 GHCDLO C[N@H+](Cc1cc(F)cc(Cl)c1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237800823 1042377530 /nfs/dbraw/zinc/37/75/30/1042377530.db2.gz BXAPPGREUYMVBH-GOSISDBHSA-N 1 2 378.875 3.518 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001237936978 1042427951 /nfs/dbraw/zinc/42/79/51/1042427951.db2.gz LVBCTIJCHAESSD-BOFPYLFWSA-N 1 2 392.858 3.638 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001237936978 1042427953 /nfs/dbraw/zinc/42/79/53/1042427953.db2.gz LVBCTIJCHAESSD-BOFPYLFWSA-N 1 2 392.858 3.638 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1)c1ccccc1F ZINC001237940456 1042430117 /nfs/dbraw/zinc/43/01/17/1042430117.db2.gz LJJLVMRREWZGKR-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1)c1ccc(F)cc1 ZINC001237939965 1042430461 /nfs/dbraw/zinc/43/04/61/1042430461.db2.gz INSMOAFOIPVLOY-OAHLLOKOSA-N 1 2 380.822 3.718 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1)c1ccc(F)cc1 ZINC001237939965 1042430463 /nfs/dbraw/zinc/43/04/63/1042430463.db2.gz INSMOAFOIPVLOY-OAHLLOKOSA-N 1 2 380.822 3.718 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)c(OC)c1 ZINC001237940831 1042430845 /nfs/dbraw/zinc/43/08/45/1042430845.db2.gz OBBOCKJHXZZJJK-UHFFFAOYSA-N 1 2 380.847 3.524 20 10 GHCDLO CCOC(=O)c1coc(C2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)n1 ZINC001237940939 1042430906 /nfs/dbraw/zinc/43/09/06/1042430906.db2.gz PSVHRURYKRIOCJ-UHFFFAOYSA-N 1 2 382.819 3.729 20 10 GHCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001295595646 1045063474 /nfs/dbraw/zinc/06/34/74/1045063474.db2.gz VHKOLXWMXBAIDA-MJGOQNOKSA-N 1 2 375.472 3.941 20 10 GHCDLO O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001279684196 1047914028 /nfs/dbraw/zinc/91/40/28/1047914028.db2.gz MEABNQDMXMMBMC-KBPBESRZSA-N 1 2 394.899 3.522 20 10 GHCDLO O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001279684196 1047914031 /nfs/dbraw/zinc/91/40/31/1047914031.db2.gz MEABNQDMXMMBMC-KBPBESRZSA-N 1 2 394.899 3.522 20 10 GHCDLO C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC001307590209 1049429159 /nfs/dbraw/zinc/42/91/59/1049429159.db2.gz SPYHPICZRYAVAG-OWCLPIDISA-N 1 2 390.483 3.767 20 10 GHCDLO C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC001307590209 1049429163 /nfs/dbraw/zinc/42/91/63/1049429163.db2.gz SPYHPICZRYAVAG-OWCLPIDISA-N 1 2 390.483 3.767 20 10 GHCDLO CCOC(=O)C(CC)(CC)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC001308890252 1050142054 /nfs/dbraw/zinc/14/20/54/1050142054.db2.gz ATHRPCRCULLIDL-UHFFFAOYSA-N 1 2 376.266 3.753 20 10 GHCDLO CN(C)c1cc(F)c(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1F ZINC001329731599 1050895313 /nfs/dbraw/zinc/89/53/13/1050895313.db2.gz MUEYSDCBSBZSBP-OAHLLOKOSA-N 1 2 390.352 3.753 20 10 GHCDLO Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cnn1-c1cc[nH+]cc1 ZINC001342803855 1053363279 /nfs/dbraw/zinc/36/32/79/1053363279.db2.gz YKKSENVDLMZQJY-UHFFFAOYSA-N 1 2 377.231 3.518 20 10 GHCDLO Cc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1-c1ccccn1 ZINC001455200334 1062046317 /nfs/dbraw/zinc/04/63/17/1062046317.db2.gz WEFKRBSNDDKECY-NRFANRHFSA-N 1 2 385.471 3.857 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001472422509 1073479726 /nfs/dbraw/zinc/47/97/26/1073479726.db2.gz BSLZTYSBHSNICA-UHFFFAOYSA-N 1 2 390.487 3.725 20 10 GHCDLO COc1cc(C)c(C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)c(O)c1 ZINC001474487917 1074428622 /nfs/dbraw/zinc/42/86/22/1074428622.db2.gz WTCJKWPZEALKOJ-UHFFFAOYSA-N 1 2 396.512 3.882 20 10 GHCDLO COC(=O)/C=C/c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000782978211 838588325 /nfs/dbraw/zinc/58/83/25/838588325.db2.gz KKHDENGGWBNOJX-FNORWQNLSA-N 1 2 398.463 3.674 20 10 GHCDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(OC)c2O)sc1C ZINC000279622068 843172030 /nfs/dbraw/zinc/17/20/30/843172030.db2.gz GYHZANRHVHDKKT-CYBMUJFWSA-N 1 2 396.896 3.943 20 10 GHCDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cc(Cl)cc(OC)c2O)sc1C ZINC000279622068 843172036 /nfs/dbraw/zinc/17/20/36/843172036.db2.gz GYHZANRHVHDKKT-CYBMUJFWSA-N 1 2 396.896 3.943 20 10 GHCDLO COc1ccccc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccco1 ZINC000375729911 848060201 /nfs/dbraw/zinc/06/02/01/848060201.db2.gz IQOWAEBTTMZGMK-SFHVURJKSA-N 1 2 384.388 3.790 20 10 GHCDLO C[C@@H]1CN(c2ccc(CNc3cc(N4CCCCC4)nc[nH+]3)cc2F)C[C@H](C)O1 ZINC000731978941 861993778 /nfs/dbraw/zinc/99/37/78/861993778.db2.gz DBTUBIQOHOYUBQ-CALCHBBNSA-N 1 2 399.514 3.832 20 10 GHCDLO C[C@@H]1CN(c2ccc(CNc3cc(N4CCCCC4)[nH+]cn3)cc2F)C[C@H](C)O1 ZINC000731978941 861993788 /nfs/dbraw/zinc/99/37/88/861993788.db2.gz DBTUBIQOHOYUBQ-CALCHBBNSA-N 1 2 399.514 3.832 20 10 GHCDLO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000732127781 862079628 /nfs/dbraw/zinc/07/96/28/862079628.db2.gz OFMNRIBPECEDFU-OAQYLSRUSA-N 1 2 399.510 3.560 20 10 GHCDLO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccccc1 ZINC000894424442 851286501 /nfs/dbraw/zinc/28/65/01/851286501.db2.gz GFCVGTNEVTZXLX-IVZQSRNASA-N 1 2 386.286 3.503 20 10 GHCDLO COc1ccc(F)cc1CN1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761183467 858923784 /nfs/dbraw/zinc/92/37/84/858923784.db2.gz LFKNMLSYFFTFFJ-UHFFFAOYSA-N 1 2 394.874 3.520 20 10 GHCDLO Cc1cc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)nc(C(C)C)[nH+]1 ZINC000480825506 865360074 /nfs/dbraw/zinc/36/00/74/865360074.db2.gz FEXZVRWQNBYCAZ-UHFFFAOYSA-N 1 2 390.487 3.731 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000185360551 866015903 /nfs/dbraw/zinc/01/59/03/866015903.db2.gz HKUREXHISGACRQ-CABCVRRESA-N 1 2 375.463 3.834 20 10 GHCDLO COc1cc(N2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)cc(OC)c1OC ZINC000183697046 867286887 /nfs/dbraw/zinc/28/68/87/867286887.db2.gz BRIMRCNIGFRNEF-AWEZNQCLSA-N 1 2 392.446 3.874 20 10 GHCDLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)n1-c1cccc(Br)c1 ZINC000747171820 882535455 /nfs/dbraw/zinc/53/54/55/882535455.db2.gz FIWKMUNHTAJQJJ-UHFFFAOYSA-N 1 2 387.281 3.818 20 10 GHCDLO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000775654156 872389565 /nfs/dbraw/zinc/38/95/65/872389565.db2.gz TZQJUFLRRSDPBU-ZDUSSCGKSA-N 1 2 377.847 3.739 20 10 GHCDLO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000775654156 872389580 /nfs/dbraw/zinc/38/95/80/872389580.db2.gz TZQJUFLRRSDPBU-ZDUSSCGKSA-N 1 2 377.847 3.739 20 10 GHCDLO O=C(NC1CCCCC1)NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775663129 872459136 /nfs/dbraw/zinc/45/91/36/872459136.db2.gz ZEGPWKOULWPTNE-UHFFFAOYSA-N 1 2 383.895 3.781 20 10 GHCDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1)c1ccccc1 ZINC000775669231 872586241 /nfs/dbraw/zinc/58/62/41/872586241.db2.gz HTJXDYCHVWLFKZ-AWEZNQCLSA-N 1 2 376.859 3.827 20 10 GHCDLO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)c1ccccc1 ZINC000775669231 872586251 /nfs/dbraw/zinc/58/62/51/872586251.db2.gz HTJXDYCHVWLFKZ-AWEZNQCLSA-N 1 2 376.859 3.827 20 10 GHCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 ZINC000182802969 872798980 /nfs/dbraw/zinc/79/89/80/872798980.db2.gz KXENFIYTKAHDMP-ZDUSSCGKSA-N 1 2 398.488 3.664 20 10 GHCDLO Cc1cc(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000857941382 882657894 /nfs/dbraw/zinc/65/78/94/882657894.db2.gz FKKUPLAGSUXIDY-GOSISDBHSA-N 1 2 382.895 3.618 20 10 GHCDLO C[N@H+](Cc1cccc(Br)c1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000768242869 873203245 /nfs/dbraw/zinc/20/32/45/873203245.db2.gz DNGYSGSDYSLQCS-KRWDZBQOSA-N 1 2 375.310 3.861 20 10 GHCDLO C[N@@H+](Cc1cccc(Br)c1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000768242869 873203262 /nfs/dbraw/zinc/20/32/62/873203262.db2.gz DNGYSGSDYSLQCS-KRWDZBQOSA-N 1 2 375.310 3.861 20 10 GHCDLO O=C(c1ccc(F)c(F)c1)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768335574 873242423 /nfs/dbraw/zinc/24/24/23/873242423.db2.gz UPYCVPLYVXONGT-UHFFFAOYSA-N 1 2 399.485 3.913 20 10 GHCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(Cl)c(Cl)c3)C1)[C@H](O)CO2 ZINC000768452745 873313320 /nfs/dbraw/zinc/31/33/20/873313320.db2.gz SEEKNOMGYROWGT-MJGOQNOKSA-N 1 2 396.270 3.698 20 10 GHCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(Cl)c(Cl)c3)C1)[C@H](O)CO2 ZINC000768452745 873313337 /nfs/dbraw/zinc/31/33/37/873313337.db2.gz SEEKNOMGYROWGT-MJGOQNOKSA-N 1 2 396.270 3.698 20 10 GHCDLO O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001197174289 873637885 /nfs/dbraw/zinc/63/78/85/873637885.db2.gz NTRMYNDQKHFXOT-XKXPVHLMSA-N 1 2 384.505 3.961 20 10 GHCDLO O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001197174289 873637896 /nfs/dbraw/zinc/63/78/96/873637896.db2.gz NTRMYNDQKHFXOT-XKXPVHLMSA-N 1 2 384.505 3.961 20 10 GHCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000769152850 873851519 /nfs/dbraw/zinc/85/15/19/873851519.db2.gz MUSSDQZDAWPFKZ-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000769152850 873851526 /nfs/dbraw/zinc/85/15/26/873851526.db2.gz MUSSDQZDAWPFKZ-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO O=C1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCN1c1ccccc1C(F)(F)F ZINC000775983972 875040727 /nfs/dbraw/zinc/04/07/27/875040727.db2.gz QUZKGOPEIOWMRY-CQSZACIVSA-N 1 2 384.785 3.960 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000776010088 875123515 /nfs/dbraw/zinc/12/35/15/875123515.db2.gz XQPKQLUEWBSCGB-UHFFFAOYSA-N 1 2 380.204 3.807 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000529636854 876423034 /nfs/dbraw/zinc/42/30/34/876423034.db2.gz JOQLGKGQBOGCCL-JTQLQIEISA-N 1 2 393.119 3.824 20 10 GHCDLO CN1CCO[C@@H]([C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccc(Cl)cc2)C1 ZINC000790982151 880140753 /nfs/dbraw/zinc/14/07/53/880140753.db2.gz RBMNYKOKFMINCF-IEBWSBKVSA-N 1 2 399.293 4.000 20 10 GHCDLO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(Br)cc(F)c1O ZINC000184989563 883408984 /nfs/dbraw/zinc/40/89/84/883408984.db2.gz WTTYDJPDZPDXNZ-NSHDSACASA-N 1 2 391.244 3.725 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000858929344 883469898 /nfs/dbraw/zinc/46/98/98/883469898.db2.gz HAZXXTMHQAUJMB-UHFFFAOYSA-N 1 2 376.460 3.650 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1C ZINC000859181521 883643060 /nfs/dbraw/zinc/64/30/60/883643060.db2.gz ODQQVGQSHBDCAM-NRFANRHFSA-N 1 2 390.487 3.889 20 10 GHCDLO Cc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c(C)n1-c1ccc(F)cc1 ZINC000914847825 884935452 /nfs/dbraw/zinc/93/54/52/884935452.db2.gz BYYNSVLEHUVSHQ-UHFFFAOYSA-N 1 2 380.467 3.739 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC001168200133 885555016 /nfs/dbraw/zinc/55/50/16/885555016.db2.gz FUOYUDLUYRPOFF-PMPSAXMXSA-N 1 2 390.483 3.767 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC001168200133 885555033 /nfs/dbraw/zinc/55/50/33/885555033.db2.gz FUOYUDLUYRPOFF-PMPSAXMXSA-N 1 2 390.483 3.767 20 10 GHCDLO Cc1ccc(O)c(C[N@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)c1 ZINC000796012851 913201999 /nfs/dbraw/zinc/20/19/99/913201999.db2.gz BNMNMBQDHDZMNK-UHFFFAOYSA-N 1 2 387.281 3.676 20 10 GHCDLO Cc1ccc(O)c(C[N@@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)c1 ZINC000796012851 913202014 /nfs/dbraw/zinc/20/20/14/913202014.db2.gz BNMNMBQDHDZMNK-UHFFFAOYSA-N 1 2 387.281 3.676 20 10 GHCDLO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866568435 888941677 /nfs/dbraw/zinc/94/16/77/888941677.db2.gz ZXLBSRPSNCAEFQ-LBPRGKRZSA-N 1 2 384.858 3.699 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(N2CCCNC2=O)cc1 ZINC000812801419 890997119 /nfs/dbraw/zinc/99/71/19/890997119.db2.gz UCCNTGNASIXZHO-LBPRGKRZSA-N 1 2 377.847 3.955 20 10 GHCDLO OC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(Br)c(F)c1 ZINC000813792128 891981431 /nfs/dbraw/zinc/98/14/31/891981431.db2.gz JRLPMKZWUJUPRM-CYBMUJFWSA-N 1 2 392.627 3.910 20 10 GHCDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc(N2CCCCC2)cc1 ZINC000874240952 892048946 /nfs/dbraw/zinc/04/89/46/892048946.db2.gz DSDPFYHVNXBACX-QGZVFWFLSA-N 1 2 380.414 3.683 20 10 GHCDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874342502 892094806 /nfs/dbraw/zinc/09/48/06/892094806.db2.gz YKERYCUQPAEJSD-CQSZACIVSA-N 1 2 383.427 3.507 20 10 GHCDLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816493293 894861624 /nfs/dbraw/zinc/86/16/24/894861624.db2.gz WEACEMAKABXQOP-KRWDZBQOSA-N 1 2 378.831 3.796 20 10 GHCDLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816493293 894861632 /nfs/dbraw/zinc/86/16/32/894861632.db2.gz WEACEMAKABXQOP-KRWDZBQOSA-N 1 2 378.831 3.796 20 10 GHCDLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1c(O)ccc2c1CCCC2 ZINC000816938973 895225700 /nfs/dbraw/zinc/22/57/00/895225700.db2.gz PJRPYOYIZXBPFB-IBGZPJMESA-N 1 2 375.472 3.833 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1 ZINC001135946269 895739904 /nfs/dbraw/zinc/73/99/04/895739904.db2.gz LWXJDZPEQYCIOW-UHFFFAOYSA-N 1 2 378.476 3.696 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000042289951 897398599 /nfs/dbraw/zinc/39/85/99/897398599.db2.gz NCPWBQQMODUPFI-INIZCTEOSA-N 1 2 385.533 3.566 20 10 GHCDLO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Br)c1O ZINC000824500906 899669419 /nfs/dbraw/zinc/66/94/19/899669419.db2.gz AMRGLLBKTICPLB-LBPRGKRZSA-N 1 2 387.318 3.938 20 10 GHCDLO CS[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000824683964 899764093 /nfs/dbraw/zinc/76/40/93/899764093.db2.gz ZDPONRWEQMSPIU-JTQLQIEISA-N 1 2 381.133 3.855 20 10 GHCDLO CS[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000824683964 899764105 /nfs/dbraw/zinc/76/41/05/899764105.db2.gz ZDPONRWEQMSPIU-JTQLQIEISA-N 1 2 381.133 3.855 20 10 GHCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](CC)c2cc(Br)ccc2O)no1 ZINC000290155753 914550543 /nfs/dbraw/zinc/55/05/43/914550543.db2.gz LOUXWODSFFQYAA-GWCFXTLKSA-N 1 2 384.274 3.876 20 10 GHCDLO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778996659 902622106 /nfs/dbraw/zinc/62/21/06/902622106.db2.gz WLPGGHDNYORVIE-UHFFFAOYSA-N 1 2 383.250 3.796 20 10 GHCDLO NC(=O)C[N@H+](Cc1ccc(OCc2ccccc2)cc1)Cc1cc(F)ccc1O ZINC000778998923 902665829 /nfs/dbraw/zinc/66/58/29/902665829.db2.gz FNANPCXLJQUUDS-UHFFFAOYSA-N 1 2 394.446 3.598 20 10 GHCDLO NC(=O)C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)Cc1cc(F)ccc1O ZINC000778998923 902665839 /nfs/dbraw/zinc/66/58/39/902665839.db2.gz FNANPCXLJQUUDS-UHFFFAOYSA-N 1 2 394.446 3.598 20 10 GHCDLO COC(=O)[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCC[C@H](OC)C1 ZINC000846108757 902684074 /nfs/dbraw/zinc/68/40/74/902684074.db2.gz RFPNJJSPKVLHFR-KAGYGMCKSA-N 1 2 383.488 3.896 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)cc(F)c1O ZINC000846216911 902793376 /nfs/dbraw/zinc/79/33/76/902793376.db2.gz XPLKFMAWCNJBEK-BONVTDFDSA-N 1 2 395.272 3.721 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC001177463617 908580870 /nfs/dbraw/zinc/58/08/70/908580870.db2.gz FANVQQNTJQDMJJ-UHFFFAOYSA-N 1 2 393.842 3.751 20 10 GHCDLO Cc1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1Cl ZINC000193740689 908668225 /nfs/dbraw/zinc/66/82/25/908668225.db2.gz GOWPZCQKRVPIOE-FOWTUZBSSA-N 1 2 396.965 3.572 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCS1 ZINC001178184607 908930098 /nfs/dbraw/zinc/93/00/98/908930098.db2.gz QZSPFBUEVHXWIK-SNVBAGLBSA-N 1 2 381.133 3.902 20 10 GHCDLO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)cc(OC)c1 ZINC001179887698 909778586 /nfs/dbraw/zinc/77/85/86/909778586.db2.gz NQBSTPDXGNDZDV-CQSZACIVSA-N 1 2 378.419 3.764 20 10 GHCDLO COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)cc(OC)c1 ZINC001179887698 909778603 /nfs/dbraw/zinc/77/86/03/909778603.db2.gz NQBSTPDXGNDZDV-CQSZACIVSA-N 1 2 378.419 3.764 20 10 GHCDLO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(Br)c2O)c1 ZINC000775150785 915580583 /nfs/dbraw/zinc/58/05/83/915580583.db2.gz BAEPEJORLSIJNW-CYBMUJFWSA-N 1 2 377.282 3.970 20 10 GHCDLO O=C(c1ccccc1F)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293777474 916376790 /nfs/dbraw/zinc/37/67/90/916376790.db2.gz AUVRLDAIRMUVMF-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191022041 917711130 /nfs/dbraw/zinc/71/11/30/917711130.db2.gz NTHYSUVMGMRRIG-HXUWFJFHSA-N 1 2 390.483 3.911 20 10 GHCDLO CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191022041 917711141 /nfs/dbraw/zinc/71/11/41/917711141.db2.gz NTHYSUVMGMRRIG-HXUWFJFHSA-N 1 2 390.483 3.911 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+](C)Cc3nccn3CC(F)(F)F)cc2)CC1 ZINC000297236465 919170172 /nfs/dbraw/zinc/17/01/72/919170172.db2.gz UIZKHUNQWDKLNZ-UHFFFAOYSA-N 1 2 396.457 3.693 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+](C)Cc3nccn3CC(F)(F)F)cc2)CC1 ZINC000297236465 919170180 /nfs/dbraw/zinc/17/01/80/919170180.db2.gz UIZKHUNQWDKLNZ-UHFFFAOYSA-N 1 2 396.457 3.693 20 10 GHCDLO COc1cccc(C[N@H+](CCNC(C)=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000800533109 920247445 /nfs/dbraw/zinc/24/74/45/920247445.db2.gz HCTQBOYKLQDWAN-UHFFFAOYSA-N 1 2 397.302 3.846 20 10 GHCDLO COc1cccc(C[N@@H+](CCNC(C)=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000800533109 920247452 /nfs/dbraw/zinc/24/74/52/920247452.db2.gz HCTQBOYKLQDWAN-UHFFFAOYSA-N 1 2 397.302 3.846 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CC[C@](F)(c3cc(C)cc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000800536159 920251358 /nfs/dbraw/zinc/25/13/58/920251358.db2.gz NHXLATQOZOGLPH-LJQANCHMSA-N 1 2 378.375 3.827 20 10 GHCDLO COc1c(O)c(C[N@H+]2CC[C@](F)(c3cc(C)cc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000800536159 920251364 /nfs/dbraw/zinc/25/13/64/920251364.db2.gz NHXLATQOZOGLPH-LJQANCHMSA-N 1 2 378.375 3.827 20 10 GHCDLO CNC(=O)c1ccc(C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C2CC2)cc1 ZINC000750035699 927398923 /nfs/dbraw/zinc/39/89/23/927398923.db2.gz HKALKOWEAWKQFN-UHFFFAOYSA-N 1 2 386.879 3.772 20 10 GHCDLO CNC(=O)c1ccc(C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C2CC2)cc1 ZINC000750035699 927398937 /nfs/dbraw/zinc/39/89/37/927398937.db2.gz HKALKOWEAWKQFN-UHFFFAOYSA-N 1 2 386.879 3.772 20 10 GHCDLO O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000751305990 928120443 /nfs/dbraw/zinc/12/04/43/928120443.db2.gz NBJRLBROPSCUEQ-UHFFFAOYSA-N 1 2 380.411 3.834 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000781898247 931017837 /nfs/dbraw/zinc/01/78/37/931017837.db2.gz WEIGBUHVSUCRLC-CYBMUJFWSA-N 1 2 385.302 3.562 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000781898247 931017848 /nfs/dbraw/zinc/01/78/48/931017848.db2.gz WEIGBUHVSUCRLC-CYBMUJFWSA-N 1 2 385.302 3.562 20 10 GHCDLO Cc1ccc([C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000798088672 932525621 /nfs/dbraw/zinc/52/56/21/932525621.db2.gz RODWQHRQHZZLGY-YVEFUNNKSA-N 1 2 385.888 3.757 20 10 GHCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000799886415 933151630 /nfs/dbraw/zinc/15/16/30/933151630.db2.gz PJVPXWBFWRSEDQ-JKSUJKDBSA-N 1 2 389.931 3.661 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](F)C1 ZINC001204323085 1032765187 /nfs/dbraw/zinc/76/51/87/1032765187.db2.gz DFWOCJNOWHWPHI-SFHVURJKSA-N 1 2 377.504 3.678 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](F)C1 ZINC001204323085 1032765192 /nfs/dbraw/zinc/76/51/92/1032765192.db2.gz DFWOCJNOWHWPHI-SFHVURJKSA-N 1 2 377.504 3.678 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140581336 1022001702 /nfs/dbraw/zinc/00/17/02/1022001702.db2.gz PAAOFBLVXLFOTP-CTNGQTDRSA-N 1 2 390.430 3.516 20 10 GHCDLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC000754147839 1022509487 /nfs/dbraw/zinc/50/94/87/1022509487.db2.gz FVSZQEDLIKUDBB-UHFFFAOYSA-N 1 2 388.515 3.576 20 10 GHCDLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC000754147839 1022509500 /nfs/dbraw/zinc/50/95/00/1022509500.db2.gz FVSZQEDLIKUDBB-UHFFFAOYSA-N 1 2 388.515 3.576 20 10 GHCDLO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(Br)c(F)cc1O ZINC000756576443 1023718511 /nfs/dbraw/zinc/71/85/11/1023718511.db2.gz UIQJNZKYFIMXBE-NSHDSACASA-N 1 2 381.245 3.973 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)c(F)cc1O ZINC000756660328 1023760559 /nfs/dbraw/zinc/76/05/59/1023760559.db2.gz VUOJKWJAOZEXCB-DGCLKSJQSA-N 1 2 399.304 3.736 20 10 GHCDLO COc1ccc([C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2O)N(C)C)cc1OC ZINC000756664724 1023763338 /nfs/dbraw/zinc/76/33/38/1023763338.db2.gz PGYMNUBEPNTCBD-PXAZEXFGSA-N 1 2 380.435 3.641 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)cc(F)c1O ZINC000756761040 1023804572 /nfs/dbraw/zinc/80/45/72/1023804572.db2.gz KZKHIIUETMECNP-MEDUHNTESA-N 1 2 399.304 3.878 20 10 GHCDLO Cc1c(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c2ccccc2n1C ZINC001138253735 1024474377 /nfs/dbraw/zinc/47/43/77/1024474377.db2.gz DYWVXAGGQVZKBO-SFHVURJKSA-N 1 2 380.536 3.992 20 10 GHCDLO Cc1c(C[N@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c2ccccc2n1C ZINC001138253735 1024474383 /nfs/dbraw/zinc/47/43/83/1024474383.db2.gz DYWVXAGGQVZKBO-SFHVURJKSA-N 1 2 380.536 3.992 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001141377587 1024775007 /nfs/dbraw/zinc/77/50/07/1024775007.db2.gz UMLPBMWZAPYAIF-GJZGRUSLSA-N 1 2 391.712 3.816 20 10 GHCDLO FC(F)(F)c1cccc(OC2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC001138497929 1024929496 /nfs/dbraw/zinc/92/94/96/1024929496.db2.gz QXHVKFYJYXKFMF-UHFFFAOYSA-N 1 2 392.421 3.805 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(OCc2ccccc2)CC1 ZINC001139127149 1025939583 /nfs/dbraw/zinc/93/95/83/1025939583.db2.gz FUEHLKPPPYNNDD-UHFFFAOYSA-N 1 2 379.456 3.988 20 10 GHCDLO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2Cc2c(O)ccc3c(C)cc(=O)oc32)c1 ZINC001139130169 1025943610 /nfs/dbraw/zinc/94/36/10/1025943610.db2.gz SZQLLNQBXCYLED-IBGZPJMESA-N 1 2 393.439 3.931 20 10 GHCDLO COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2c(O)ccc3c(C)cc(=O)oc32)c1 ZINC001139130169 1025943612 /nfs/dbraw/zinc/94/36/12/1025943612.db2.gz SZQLLNQBXCYLED-IBGZPJMESA-N 1 2 393.439 3.931 20 10 GHCDLO Cc1cc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001166151333 1026929096 /nfs/dbraw/zinc/92/90/96/1026929096.db2.gz IRNDPVSEBKOWBR-HZPDHXFCSA-N 1 2 389.927 3.587 20 10 GHCDLO Cc1cc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001166151333 1026929102 /nfs/dbraw/zinc/92/91/02/1026929102.db2.gz IRNDPVSEBKOWBR-HZPDHXFCSA-N 1 2 389.927 3.587 20 10 GHCDLO Cc1[nH+]cc(Nc2ccc(N(C)CCN(C)c3ccc(N)cc3)cc2)cc1N ZINC001210293284 1027431970 /nfs/dbraw/zinc/43/19/70/1027431970.db2.gz JKROFQCZAGDJMV-UHFFFAOYSA-N 1 2 376.508 3.871 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001203568749 1027439024 /nfs/dbraw/zinc/43/90/24/1027439024.db2.gz VRRPKNNOSZFAEX-RTCCRHLQSA-N 1 2 379.067 3.565 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001203568749 1027439031 /nfs/dbraw/zinc/43/90/31/1027439031.db2.gz VRRPKNNOSZFAEX-RTCCRHLQSA-N 1 2 379.067 3.565 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)Cc2cnn(CC)c21 ZINC001203639727 1027497542 /nfs/dbraw/zinc/49/75/42/1027497542.db2.gz JBEIWYGSEZWXMI-HNNXBMFYSA-N 1 2 394.313 3.507 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)Cc2cnn(CC)c21 ZINC001203639727 1027497550 /nfs/dbraw/zinc/49/75/50/1027497550.db2.gz JBEIWYGSEZWXMI-HNNXBMFYSA-N 1 2 394.313 3.507 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@@H]1c1ccccc1 ZINC001203882760 1027677569 /nfs/dbraw/zinc/67/75/69/1027677569.db2.gz UPDFYTLRSQODCU-GOSISDBHSA-N 1 2 384.476 3.892 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@@H]1c1ccccc1 ZINC001203882760 1027677571 /nfs/dbraw/zinc/67/75/71/1027677571.db2.gz UPDFYTLRSQODCU-GOSISDBHSA-N 1 2 384.476 3.892 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)cc1 ZINC001203931855 1027725291 /nfs/dbraw/zinc/72/52/91/1027725291.db2.gz LLIWPTUDEPXZBI-NRFANRHFSA-N 1 2 394.563 3.885 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)cc1 ZINC001203931855 1027725306 /nfs/dbraw/zinc/72/53/06/1027725306.db2.gz LLIWPTUDEPXZBI-NRFANRHFSA-N 1 2 394.563 3.885 20 10 GHCDLO CC(C)[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C(C)(C)O ZINC001461433927 1069548179 /nfs/dbraw/zinc/54/81/79/1069548179.db2.gz SNLCTEQZFAWCSU-ZDUSSCGKSA-N 1 2 395.135 3.802 20 10 GHCDLO COc1ccc(N2CC[C@@H](COC(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000842878052 1029655467 /nfs/dbraw/zinc/65/54/67/1029655467.db2.gz GMSHCHZNQBDRDM-QGZVFWFLSA-N 1 2 377.444 3.564 20 10 GHCDLO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461619026 1069643975 /nfs/dbraw/zinc/64/39/75/1069643975.db2.gz NEPMSJWAHLCACA-NOZJJQNGSA-N 1 2 395.135 3.804 20 10 GHCDLO Cc1ccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)cc1Cl ZINC001217056983 1030130258 /nfs/dbraw/zinc/13/02/58/1030130258.db2.gz YSOONQJJSPEMBL-UHFFFAOYSA-N 1 2 385.851 3.903 20 10 GHCDLO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967939 1030981708 /nfs/dbraw/zinc/98/17/08/1030981708.db2.gz VXLMPAHKDKNVQF-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967939 1030981709 /nfs/dbraw/zinc/98/17/09/1030981709.db2.gz VXLMPAHKDKNVQF-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001224680510 1031078054 /nfs/dbraw/zinc/07/80/54/1031078054.db2.gz APZICZQJYVHEHG-LJQANCHMSA-N 1 2 382.439 3.585 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nnn(-c3ccccc3)c2C2CC2)cc1 ZINC001206543816 1033900121 /nfs/dbraw/zinc/90/01/21/1033900121.db2.gz GMXUBHBWKWPERA-UHFFFAOYSA-N 1 2 391.519 3.722 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nnn(-c3ccccc3)c2C2CC2)cc1 ZINC001206543816 1033900132 /nfs/dbraw/zinc/90/01/32/1033900132.db2.gz GMXUBHBWKWPERA-UHFFFAOYSA-N 1 2 391.519 3.722 20 10 GHCDLO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)c(F)cc1O ZINC001276517804 1034214596 /nfs/dbraw/zinc/21/45/96/1034214596.db2.gz IFEHLGSEXZUBNX-HFBAOOFYSA-N 1 2 399.304 3.658 20 10 GHCDLO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c(F)cc1O ZINC001276517804 1034214612 /nfs/dbraw/zinc/21/46/12/1034214612.db2.gz IFEHLGSEXZUBNX-HFBAOOFYSA-N 1 2 399.304 3.658 20 10 GHCDLO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277505580 1034510278 /nfs/dbraw/zinc/51/02/78/1034510278.db2.gz AOYBLPMUNHDWLS-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277505580 1034510288 /nfs/dbraw/zinc/51/02/88/1034510288.db2.gz AOYBLPMUNHDWLS-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001231854172 1034944282 /nfs/dbraw/zinc/94/42/82/1034944282.db2.gz APUWLUMNMXBRHL-UHFFFAOYSA-N 1 2 395.334 3.785 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)Cc2cn(CC3CC3)nc21 ZINC001231910853 1034986160 /nfs/dbraw/zinc/98/61/60/1034986160.db2.gz XNKGULBQPDABDI-KRWDZBQOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)Cc2cn(CC3CC3)nc21 ZINC001231910853 1034986169 /nfs/dbraw/zinc/98/61/69/1034986169.db2.gz XNKGULBQPDABDI-KRWDZBQOSA-N 1 2 375.900 3.788 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001231912127 1034987221 /nfs/dbraw/zinc/98/72/21/1034987221.db2.gz WQFLBVSSGBOQQX-UHFFFAOYSA-N 1 2 384.867 3.622 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001231912127 1034987223 /nfs/dbraw/zinc/98/72/23/1034987223.db2.gz WQFLBVSSGBOQQX-UHFFFAOYSA-N 1 2 384.867 3.622 20 10 GHCDLO CN1CCC([N@H+](Cc2ccc(F)cc2)Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232265055 1037985927 /nfs/dbraw/zinc/98/59/27/1037985927.db2.gz OCEIGWUVJSQBLX-UHFFFAOYSA-N 1 2 378.875 3.987 20 10 GHCDLO CN1CCC([N@@H+](Cc2ccc(F)cc2)Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232265055 1037985931 /nfs/dbraw/zinc/98/59/31/1037985931.db2.gz OCEIGWUVJSQBLX-UHFFFAOYSA-N 1 2 378.875 3.987 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1ccc(I)c(F)c1)CC2 ZINC001232492105 1038267055 /nfs/dbraw/zinc/26/70/55/1038267055.db2.gz MNRJHDYNZQFLOK-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1ccc(I)c(F)c1)CC2 ZINC001232492105 1038267066 /nfs/dbraw/zinc/26/70/66/1038267066.db2.gz MNRJHDYNZQFLOK-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)sc1C ZINC001251983394 1038793025 /nfs/dbraw/zinc/79/30/25/1038793025.db2.gz RZQCJKPZPQCJMR-UHFFFAOYSA-N 1 2 376.545 3.676 20 10 GHCDLO COC[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2F)Cc2cn(CC3CCCC3)nc21 ZINC001233333044 1039131054 /nfs/dbraw/zinc/13/10/54/1039131054.db2.gz HSTGLAOQJXTLBE-INIZCTEOSA-N 1 2 391.462 3.803 20 10 GHCDLO COC[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)Cc2cn(CC3CCCC3)nc21 ZINC001233333044 1039131071 /nfs/dbraw/zinc/13/10/71/1039131071.db2.gz HSTGLAOQJXTLBE-INIZCTEOSA-N 1 2 391.462 3.803 20 10 GHCDLO Oc1c(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cccc1OC(F)(F)F ZINC001233767813 1039601967 /nfs/dbraw/zinc/60/19/67/1039601967.db2.gz GUUACPPIJCFIQJ-INIZCTEOSA-N 1 2 383.366 3.571 20 10 GHCDLO Oc1c(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cccc1OC(F)(F)F ZINC001233767813 1039601977 /nfs/dbraw/zinc/60/19/77/1039601977.db2.gz GUUACPPIJCFIQJ-INIZCTEOSA-N 1 2 383.366 3.571 20 10 GHCDLO COc1ccccc1O[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300865 1040772483 /nfs/dbraw/zinc/77/24/83/1040772483.db2.gz CAXZXAYIXDBRMT-AWEZNQCLSA-N 1 2 396.256 3.956 20 10 GHCDLO COc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300865 1040772499 /nfs/dbraw/zinc/77/24/99/1040772499.db2.gz CAXZXAYIXDBRMT-AWEZNQCLSA-N 1 2 396.256 3.956 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001235301208 1040775654 /nfs/dbraw/zinc/77/56/54/1040775654.db2.gz DTBKQJWXCOOFRK-UHFFFAOYSA-N 1 2 381.245 3.732 20 10 GHCDLO CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235306894 1040781592 /nfs/dbraw/zinc/78/15/92/1040781592.db2.gz YKHJQMGIYBDLQI-UHFFFAOYSA-N 1 2 387.293 3.515 20 10 GHCDLO Oc1c(F)c(F)ccc1CN1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC001235799977 1041301978 /nfs/dbraw/zinc/30/19/78/1041301978.db2.gz MNKYEJKIKBZOBO-HNNXBMFYSA-N 1 2 383.236 3.579 20 10 GHCDLO CC(C)(C)OC(=O)NC1C[NH+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236792476 1041897697 /nfs/dbraw/zinc/89/76/97/1041897697.db2.gz MTLNXBDBMVIEOB-UHFFFAOYSA-N 1 2 384.476 3.680 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236803527 1041905704 /nfs/dbraw/zinc/90/57/04/1041905704.db2.gz VAWNKZGTXINEKA-LJQANCHMSA-N 1 2 384.904 3.933 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236803527 1041905707 /nfs/dbraw/zinc/90/57/07/1041905707.db2.gz VAWNKZGTXINEKA-LJQANCHMSA-N 1 2 384.904 3.933 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237118580 1042047575 /nfs/dbraw/zinc/04/75/75/1042047575.db2.gz YOFYCFACKBRCKC-UHFFFAOYSA-N 1 2 390.402 3.734 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237118580 1042047584 /nfs/dbraw/zinc/04/75/84/1042047584.db2.gz YOFYCFACKBRCKC-UHFFFAOYSA-N 1 2 390.402 3.734 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001237619526 1042286072 /nfs/dbraw/zinc/28/60/72/1042286072.db2.gz RFTKYJSVNPVBTJ-UHFFFAOYSA-N 1 2 390.890 3.857 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001237619526 1042286074 /nfs/dbraw/zinc/28/60/74/1042286074.db2.gz RFTKYJSVNPVBTJ-UHFFFAOYSA-N 1 2 390.890 3.857 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001237619112 1042286309 /nfs/dbraw/zinc/28/63/09/1042286309.db2.gz MWDXIFOVTXXSQH-QXAKKESOSA-N 1 2 392.858 3.781 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001237619112 1042286317 /nfs/dbraw/zinc/28/63/17/1042286317.db2.gz MWDXIFOVTXXSQH-QXAKKESOSA-N 1 2 392.858 3.781 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1)c1ccc(F)cc1 ZINC001237623401 1042289986 /nfs/dbraw/zinc/28/99/86/1042289986.db2.gz MSYAGLGBLFGSRA-MRXNPFEDSA-N 1 2 380.822 3.718 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)c1ccc(F)cc1 ZINC001237623401 1042289993 /nfs/dbraw/zinc/28/99/93/1042289993.db2.gz MSYAGLGBLFGSRA-MRXNPFEDSA-N 1 2 380.822 3.718 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237624508 1042290943 /nfs/dbraw/zinc/29/09/43/1042290943.db2.gz VQTKYHCPTLSFQE-LLVKDONJSA-N 1 2 391.752 3.647 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237624508 1042290950 /nfs/dbraw/zinc/29/09/50/1042290950.db2.gz VQTKYHCPTLSFQE-LLVKDONJSA-N 1 2 391.752 3.647 20 10 GHCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@@H]1c1ccc(F)cc1 ZINC001237803066 1042378935 /nfs/dbraw/zinc/37/89/35/1042378935.db2.gz QFNGSCBPEJIMDI-CVEARBPZSA-N 1 2 381.806 3.712 20 10 GHCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)C[C@@H]1c1ccc(F)cc1 ZINC001237803066 1042378941 /nfs/dbraw/zinc/37/89/41/1042378941.db2.gz QFNGSCBPEJIMDI-CVEARBPZSA-N 1 2 381.806 3.712 20 10 GHCDLO COc1ccc(C(=O)NC2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)cc1 ZINC001237936680 1042427918 /nfs/dbraw/zinc/42/79/18/1042427918.db2.gz LOUKSEHCXKIKLC-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001301906008 1046751836 /nfs/dbraw/zinc/75/18/36/1046751836.db2.gz NQRNKMIFARJKLM-UHFFFAOYSA-N 1 2 394.544 3.551 20 10 GHCDLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001279333822 1047771677 /nfs/dbraw/zinc/77/16/77/1047771677.db2.gz PHDWODKAXIWMSY-UHFFFAOYSA-N 1 2 376.957 3.631 20 10 GHCDLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1ccc(N(C)C)cc1Cl)C2 ZINC001279333822 1047771684 /nfs/dbraw/zinc/77/16/84/1047771684.db2.gz PHDWODKAXIWMSY-UHFFFAOYSA-N 1 2 376.957 3.631 20 10 GHCDLO CC(C)NC(=O)N1CCC[C@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001279442639 1047809162 /nfs/dbraw/zinc/80/91/62/1047809162.db2.gz QXILUZDZFJMFIC-FQEVSTJZSA-N 1 2 379.932 3.842 20 10 GHCDLO CC(C)NC(=O)N1CCC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001279442639 1047809170 /nfs/dbraw/zinc/80/91/70/1047809170.db2.gz QXILUZDZFJMFIC-FQEVSTJZSA-N 1 2 379.932 3.842 20 10 GHCDLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001279513964 1047830071 /nfs/dbraw/zinc/83/00/71/1047830071.db2.gz OCYIGSKTAGIDBE-GASCZTMLSA-N 1 2 383.439 3.635 20 10 GHCDLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001279513964 1047830081 /nfs/dbraw/zinc/83/00/81/1047830081.db2.gz OCYIGSKTAGIDBE-GASCZTMLSA-N 1 2 383.439 3.635 20 10 GHCDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(O)ccc(Cl)c1Cl ZINC001279676401 1047910530 /nfs/dbraw/zinc/91/05/30/1047910530.db2.gz DBVKHCDBILKPSB-TXEJJXNPSA-N 1 2 384.332 3.923 20 10 GHCDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(O)ccc(Cl)c1Cl ZINC001279676401 1047910531 /nfs/dbraw/zinc/91/05/31/1047910531.db2.gz DBVKHCDBILKPSB-TXEJJXNPSA-N 1 2 384.332 3.923 20 10 GHCDLO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2c(O)ccc(Cl)c2Cl)C3)[nH]1 ZINC001279677061 1047910927 /nfs/dbraw/zinc/91/09/27/1047910927.db2.gz XFXLHOGNKOIIHF-OCCSQVGLSA-N 1 2 394.302 3.506 20 10 GHCDLO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C3)[nH]1 ZINC001279677061 1047910928 /nfs/dbraw/zinc/91/09/28/1047910928.db2.gz XFXLHOGNKOIIHF-OCCSQVGLSA-N 1 2 394.302 3.506 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]12 ZINC000757997384 1051787481 /nfs/dbraw/zinc/78/74/81/1051787481.db2.gz IYBUGQFAPMJADF-DJSGYFEHSA-N 1 2 384.879 3.920 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]12 ZINC000757997384 1051787492 /nfs/dbraw/zinc/78/74/92/1051787492.db2.gz IYBUGQFAPMJADF-DJSGYFEHSA-N 1 2 384.879 3.920 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC001459796056 1064221519 /nfs/dbraw/zinc/22/15/19/1064221519.db2.gz IUAKFSFEIZGUOM-OAQYLSRUSA-N 1 2 399.922 3.666 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC001477846378 1078591364 /nfs/dbraw/zinc/59/13/64/1078591364.db2.gz HSSLKRCLEJMFRH-UHFFFAOYSA-N 1 2 399.514 3.853 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+](C)CCC1CC1 ZINC001473286344 1073906930 /nfs/dbraw/zinc/90/69/30/1073906930.db2.gz HXRFTZABRJJOJE-CQSZACIVSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+](C)CCC1CC1 ZINC001473286344 1073906933 /nfs/dbraw/zinc/90/69/33/1073906933.db2.gz HXRFTZABRJJOJE-CQSZACIVSA-N 1 2 376.456 3.521 20 10 GHCDLO COc1ccccc1O[C@H](C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC001474027211 1074240552 /nfs/dbraw/zinc/24/05/52/1074240552.db2.gz CNJXPEIWCZWOFR-LLVKDONJSA-N 1 2 384.245 3.860 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC001474099798 1074263572 /nfs/dbraw/zinc/26/35/72/1074263572.db2.gz HARQSLBDIXJSGZ-BZPMIXESSA-N 1 2 378.332 3.763 20 10 GHCDLO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC001474114863 1074267713 /nfs/dbraw/zinc/26/77/13/1074267713.db2.gz NXQFUZYMHMAJSF-HNNXBMFYSA-N 1 2 384.701 3.810 20 10 GHCDLO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001474143930 1074276085 /nfs/dbraw/zinc/27/60/85/1074276085.db2.gz VQTYVCNWJDVVSL-QGZVFWFLSA-N 1 2 397.288 3.695 20 10 GHCDLO Oc1c(Br)cccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000120938028 837480136 /nfs/dbraw/zinc/48/01/36/837480136.db2.gz AZPGKXBJNXDRPT-UHFFFAOYSA-N 1 2 377.282 3.599 20 10 GHCDLO C[C@H]1CN(C2CCOCC2)CC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000782900540 838310620 /nfs/dbraw/zinc/31/06/20/838310620.db2.gz ZCXVYDJHNKWURY-INIZCTEOSA-N 1 2 380.488 3.977 20 10 GHCDLO C[C@H]1CN(C2CCOCC2)CC[N@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000782900540 838310627 /nfs/dbraw/zinc/31/06/27/838310627.db2.gz ZCXVYDJHNKWURY-INIZCTEOSA-N 1 2 380.488 3.977 20 10 GHCDLO COC1CC[NH+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000271784437 846918594 /nfs/dbraw/zinc/91/85/94/846918594.db2.gz HLTZQYXGHMLXDT-UHFFFAOYSA-N 1 2 379.092 3.528 20 10 GHCDLO CN(Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732188125 862114271 /nfs/dbraw/zinc/11/42/71/862114271.db2.gz GLLCTYNYSXPVMD-MRXNPFEDSA-N 1 2 375.310 3.976 20 10 GHCDLO CN(Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732188125 862114278 /nfs/dbraw/zinc/11/42/78/862114278.db2.gz GLLCTYNYSXPVMD-MRXNPFEDSA-N 1 2 375.310 3.976 20 10 GHCDLO C[C@@H]1CN(c2ccc(CNc3nc(N)c4ccccc4[nH+]3)cc2F)C[C@H](C)O1 ZINC000764123830 859212012 /nfs/dbraw/zinc/21/20/12/859212012.db2.gz NUCSFGGNDMSFAR-OKILXGFUSA-N 1 2 381.455 3.577 20 10 GHCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccccn2)n(C)c1=S ZINC000764909150 859663207 /nfs/dbraw/zinc/66/32/07/859663207.db2.gz IDDXUHROSSJBTN-UHFFFAOYSA-N 1 2 396.564 3.947 20 10 GHCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccccn2)n(C)c1=S ZINC000764909150 859663217 /nfs/dbraw/zinc/66/32/17/859663217.db2.gz IDDXUHROSSJBTN-UHFFFAOYSA-N 1 2 396.564 3.947 20 10 GHCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715793083 859708851 /nfs/dbraw/zinc/70/88/51/859708851.db2.gz VHYGEEAFDGAEHP-VHSXEESVSA-N 1 2 391.281 3.685 20 10 GHCDLO COc1ccccc1C[NH+]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000728051297 860369628 /nfs/dbraw/zinc/36/96/28/860369628.db2.gz XMJHWDSSNHYJCN-UHFFFAOYSA-N 1 2 384.520 3.722 20 10 GHCDLO COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCCC5)[nH+]cn4)CC3)c2c1 ZINC000302778331 865918636 /nfs/dbraw/zinc/91/86/36/865918636.db2.gz GZPPTJQTFPRIQO-UHFFFAOYSA-N 1 2 375.476 3.860 20 10 GHCDLO COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCCC5)nc[nH+]4)CC3)c2c1 ZINC000302778331 865918648 /nfs/dbraw/zinc/91/86/48/865918648.db2.gz GZPPTJQTFPRIQO-UHFFFAOYSA-N 1 2 375.476 3.860 20 10 GHCDLO Cc1nc(NCc2cccc(C(=O)NCc3cc(Cl)ccc3O)c2)cc[nH+]1 ZINC000857548547 882331069 /nfs/dbraw/zinc/33/10/69/882331069.db2.gz NDQOIZXHTPBALX-UHFFFAOYSA-N 1 2 382.851 3.686 20 10 GHCDLO Cc1ccc(O)c(C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 ZINC000793617948 882334638 /nfs/dbraw/zinc/33/46/38/882334638.db2.gz YYKCPIGSILTNMA-UHFFFAOYSA-N 1 2 377.238 3.930 20 10 GHCDLO Cc1ccc(O)c(C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 ZINC000793617948 882334652 /nfs/dbraw/zinc/33/46/52/882334652.db2.gz YYKCPIGSILTNMA-UHFFFAOYSA-N 1 2 377.238 3.930 20 10 GHCDLO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000809706522 887724377 /nfs/dbraw/zinc/72/43/77/887724377.db2.gz BOTQPZCSGBXAFM-VHSXEESVSA-N 1 2 393.119 3.679 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1cccc(F)c1 ZINC000182204721 872030322 /nfs/dbraw/zinc/03/03/22/872030322.db2.gz INOZUINRLFBQBQ-UHFFFAOYSA-N 1 2 399.510 3.606 20 10 GHCDLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000768226391 873176686 /nfs/dbraw/zinc/17/66/86/873176686.db2.gz NMIJQQCSZFQHMI-UHFFFAOYSA-N 1 2 390.277 3.955 20 10 GHCDLO Cc1ccc(-c2noc(CN3CC[NH+](Cc4c(O)cccc4Cl)CC3)n2)cc1 ZINC000768226368 873177930 /nfs/dbraw/zinc/17/79/30/873177930.db2.gz NAVUPZUCVJZQTD-UHFFFAOYSA-N 1 2 398.894 3.722 20 10 GHCDLO COc1ccc(OC(F)F)c(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000770304907 874586701 /nfs/dbraw/zinc/58/67/01/874586701.db2.gz DNSSALUQJOFXLJ-UHFFFAOYSA-N 1 2 396.409 3.767 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(N3CCCC3=O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000104729047 874691946 /nfs/dbraw/zinc/69/19/46/874691946.db2.gz WTBIKNNMVWKOGX-UHFFFAOYSA-N 1 2 393.531 3.672 20 10 GHCDLO CC(C)(C)OCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776116410 875361832 /nfs/dbraw/zinc/36/18/32/875361832.db2.gz QTVUFYMFUHYRQU-UHFFFAOYSA-N 1 2 381.108 3.822 20 10 GHCDLO CC[NH+]1CCN(c2ccc(CNCc3ccc(F)c(F)c3F)cc2F)CC1 ZINC000850125973 876685423 /nfs/dbraw/zinc/68/54/23/876685423.db2.gz KXVILCKCDZQYPK-UHFFFAOYSA-N 1 2 381.417 3.675 20 10 GHCDLO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)c1 ZINC000786574843 876806780 /nfs/dbraw/zinc/80/67/80/876806780.db2.gz HCVDZPUTWKERLE-DOMZBBRYSA-N 1 2 382.273 3.856 20 10 GHCDLO COc1ccc(N2CCC[N@H+](Cc3nc(Cc4ccccc4C)no3)CC2)cc1 ZINC000175591074 877338742 /nfs/dbraw/zinc/33/87/42/877338742.db2.gz OZTVCOGSJMTMRP-UHFFFAOYSA-N 1 2 392.503 3.690 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](Cc3nc(Cc4ccccc4C)no3)CC2)cc1 ZINC000175591074 877338758 /nfs/dbraw/zinc/33/87/58/877338758.db2.gz OZTVCOGSJMTMRP-UHFFFAOYSA-N 1 2 392.503 3.690 20 10 GHCDLO Cc1nn(C)c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1Br ZINC000790904250 880079458 /nfs/dbraw/zinc/07/94/58/880079458.db2.gz STHQWEJCKHHRRE-UHFFFAOYSA-N 1 2 379.346 3.968 20 10 GHCDLO Cc1nn(C)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1Br ZINC000790904250 880079468 /nfs/dbraw/zinc/07/94/68/880079468.db2.gz STHQWEJCKHHRRE-UHFFFAOYSA-N 1 2 379.346 3.968 20 10 GHCDLO OCC[N@H+](Cc1ccc(Br)s1)Cc1cccc(Cl)c1O ZINC000792195313 880982223 /nfs/dbraw/zinc/98/22/23/880982223.db2.gz HNLJVPYPHVPRTA-UHFFFAOYSA-N 1 2 376.703 3.864 20 10 GHCDLO OCC[N@@H+](Cc1ccc(Br)s1)Cc1cccc(Cl)c1O ZINC000792195313 880982226 /nfs/dbraw/zinc/98/22/26/880982226.db2.gz HNLJVPYPHVPRTA-UHFFFAOYSA-N 1 2 376.703 3.864 20 10 GHCDLO CNC(=O)C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccccc1 ZINC000795849236 912908172 /nfs/dbraw/zinc/90/81/72/912908172.db2.gz GOMKMTSGDITWCO-ZBEGNZNMSA-N 1 2 395.272 3.822 20 10 GHCDLO C[N@H+](Cc1ccccc1O)Cc1ccc(Br)nc1Br ZINC001142750207 886215580 /nfs/dbraw/zinc/21/55/80/886215580.db2.gz MOEZHVKUBIIWAS-UHFFFAOYSA-N 1 2 386.087 3.944 20 10 GHCDLO C[N@@H+](Cc1ccccc1O)Cc1ccc(Br)nc1Br ZINC001142750207 886215598 /nfs/dbraw/zinc/21/55/98/886215598.db2.gz MOEZHVKUBIIWAS-UHFFFAOYSA-N 1 2 386.087 3.944 20 10 GHCDLO COC(=O)c1cnc(C2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)s1 ZINC000862474043 886397347 /nfs/dbraw/zinc/39/73/47/886397347.db2.gz LRHBFOLWNHLONX-UHFFFAOYSA-N 1 2 384.860 3.807 20 10 GHCDLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000865810444 888590935 /nfs/dbraw/zinc/59/09/35/888590935.db2.gz NKBZJAOFCVJGQU-UHFFFAOYSA-N 1 2 379.411 3.546 20 10 GHCDLO Oc1ccc(CCNc2cc[nH+]c3c(Br)ccc(F)c23)cc1O ZINC000811811050 889995354 /nfs/dbraw/zinc/99/53/54/889995354.db2.gz KQMFABUGEGRPSN-UHFFFAOYSA-N 1 2 377.213 3.624 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 ZINC000179155469 891279361 /nfs/dbraw/zinc/27/93/61/891279361.db2.gz VJNOECATAAUBQI-UHFFFAOYSA-N 1 2 394.431 3.581 20 10 GHCDLO COc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1Cn1cccn1 ZINC000873109016 891471967 /nfs/dbraw/zinc/47/19/67/891471967.db2.gz BGNBMGCWUYBNNW-UHFFFAOYSA-N 1 2 384.480 3.533 20 10 GHCDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1ncc(Br)cn1 ZINC000814301760 892529151 /nfs/dbraw/zinc/52/91/51/892529151.db2.gz DDZPXXNGMJUFJJ-MRVPVSSYSA-N 1 2 387.075 3.558 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000815141883 893515024 /nfs/dbraw/zinc/51/50/24/893515024.db2.gz JTUPONQFSYWKJR-UHFFFAOYSA-N 1 2 375.188 3.901 20 10 GHCDLO CCc1ccc(NC(=O)c2nnc(C[NH2+][C@H](C)c3ccccc3O)s2)cc1 ZINC000879648400 895201849 /nfs/dbraw/zinc/20/18/49/895201849.db2.gz NENFBMBTYFRIRV-CYBMUJFWSA-N 1 2 382.489 3.909 20 10 GHCDLO COC1([C@H](C)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CCOCC1 ZINC000817587792 895757130 /nfs/dbraw/zinc/75/71/30/895757130.db2.gz IDGOBDSRSACGBV-MNOVXSKESA-N 1 2 376.266 3.529 20 10 GHCDLO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(Br)c3O)C2)cc1 ZINC000818221312 896088098 /nfs/dbraw/zinc/08/80/98/896088098.db2.gz QOSNIEFJASUMCO-AWEZNQCLSA-N 1 2 391.309 3.779 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000882969604 897158021 /nfs/dbraw/zinc/15/80/21/897158021.db2.gz ZTMWVDOGYIWWFP-UHFFFAOYSA-N 1 2 398.610 3.857 20 10 GHCDLO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883140773 897317298 /nfs/dbraw/zinc/31/72/98/897317298.db2.gz DZVWMJHHRCNMTF-QFIPXVFZSA-N 1 2 389.503 3.724 20 10 GHCDLO O=C(NCCCSc1nccs1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883516967 897646063 /nfs/dbraw/zinc/64/60/63/897646063.db2.gz LPXSHXMYQJDXDA-MRXNPFEDSA-N 1 2 387.534 3.563 20 10 GHCDLO CN(Cc1cccs1)c1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000823379488 898995012 /nfs/dbraw/zinc/99/50/12/898995012.db2.gz MOFHWMYZIVCUIZ-UHFFFAOYSA-N 1 2 395.528 3.936 20 10 GHCDLO COc1cc(Cl)cc(C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F)c1O ZINC000824677534 899759391 /nfs/dbraw/zinc/75/93/91/899759391.db2.gz FQIIDTDOTJATPL-LBPRGKRZSA-N 1 2 394.846 3.692 20 10 GHCDLO OCCC[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000825337246 900101089 /nfs/dbraw/zinc/10/10/89/900101089.db2.gz FIPZOBJCCBJTQS-JTQLQIEISA-N 1 2 393.119 3.512 20 10 GHCDLO OCCC[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000825337246 900101096 /nfs/dbraw/zinc/10/10/96/900101096.db2.gz FIPZOBJCCBJTQS-JTQLQIEISA-N 1 2 393.119 3.512 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(Br)cc(F)c1O ZINC000886763815 901259890 /nfs/dbraw/zinc/25/98/90/901259890.db2.gz GEHLBKOJAGCMQG-GRRKEVBASA-N 1 2 388.277 3.671 20 10 GHCDLO COc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)ccc1Br ZINC001144233068 901354963 /nfs/dbraw/zinc/35/49/63/901354963.db2.gz BWWLWLKETLSWQU-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO COc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)ccc1Br ZINC001144233068 901355203 /nfs/dbraw/zinc/35/52/03/901355203.db2.gz BWWLWLKETLSWQU-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO C[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000845080247 901732427 /nfs/dbraw/zinc/73/24/27/901732427.db2.gz NGTFWQGVAAAOIG-WMZOPIPTSA-N 1 2 395.837 3.568 20 10 GHCDLO C[N@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000845080247 901732436 /nfs/dbraw/zinc/73/24/36/901732436.db2.gz NGTFWQGVAAAOIG-WMZOPIPTSA-N 1 2 395.837 3.568 20 10 GHCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2cc(Br)cc(C)c2O)no1 ZINC000290241759 914592752 /nfs/dbraw/zinc/59/27/52/914592752.db2.gz SSFYAWLJSQZPHK-GHMZBOCLSA-N 1 2 384.274 3.794 20 10 GHCDLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000779165336 905089498 /nfs/dbraw/zinc/08/94/98/905089498.db2.gz PMYOQSXJIYWVEG-KUHUBIRLSA-N 1 2 387.528 3.701 20 10 GHCDLO CCOc1ccc(-c2cn(C3C[NH+](Cc4c(O)cccc4Cl)C3)nn2)cc1 ZINC000779614011 907889041 /nfs/dbraw/zinc/88/90/41/907889041.db2.gz SHXMBJQIRBEAJZ-UHFFFAOYSA-N 1 2 384.867 3.760 20 10 GHCDLO CN(C)[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)Cc1ccccc1 ZINC001177097755 908405175 /nfs/dbraw/zinc/40/51/75/908405175.db2.gz BCSWPOQARKINIY-MRXNPFEDSA-N 1 2 381.289 3.556 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2c[nH+]cn2C)cc1 ZINC000193215595 908857808 /nfs/dbraw/zinc/85/78/08/908857808.db2.gz PIOPCDRDSPDATG-UHFFFAOYSA-N 1 2 392.503 3.661 20 10 GHCDLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)CCO2 ZINC001178436747 909037294 /nfs/dbraw/zinc/03/72/94/909037294.db2.gz RNFVLOCQTZKLNM-HNNXBMFYSA-N 1 2 382.229 3.916 20 10 GHCDLO CCOc1ccccc1C(=O)N1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001180378964 910104883 /nfs/dbraw/zinc/10/48/83/910104883.db2.gz NSOKMHSVJIQHJU-FPLPWBNLSA-N 1 2 393.531 3.623 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)cc(F)c1O ZINC000774395748 911707876 /nfs/dbraw/zinc/70/78/76/911707876.db2.gz KCCHJRPPMCARLP-MWLCHTKSSA-N 1 2 375.337 3.590 20 10 GHCDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000774479788 911785558 /nfs/dbraw/zinc/78/55/58/911785558.db2.gz UMIRTVARKQOPSM-APPDUMDISA-N 1 2 394.288 3.531 20 10 GHCDLO Brc1ccc2[nH]c(NCc3ccc(N4CCOCC4)cc3)[nH+]c2c1 ZINC000775170341 916017456 /nfs/dbraw/zinc/01/74/56/916017456.db2.gz COZWILAULWPKHP-UHFFFAOYSA-N 1 2 387.281 3.774 20 10 GHCDLO Brc1ccc2[nH+]c(NCc3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000775170341 916017476 /nfs/dbraw/zinc/01/74/76/916017476.db2.gz COZWILAULWPKHP-UHFFFAOYSA-N 1 2 387.281 3.774 20 10 GHCDLO CCC[C@]1(C2CC2)NC(=O)N(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000802724296 922359518 /nfs/dbraw/zinc/35/95/18/922359518.db2.gz PLFXTTOYYLZMGG-HSZRJFAPSA-N 1 2 398.551 3.567 20 10 GHCDLO CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000802724296 922359530 /nfs/dbraw/zinc/35/95/30/922359530.db2.gz PLFXTTOYYLZMGG-HSZRJFAPSA-N 1 2 398.551 3.567 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)ccc1[N+](=O)[O-] ZINC000827043885 924672869 /nfs/dbraw/zinc/67/28/69/924672869.db2.gz ACMDJHJCCYRPDZ-UHFFFAOYSA-N 1 2 397.456 3.991 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)ccc1[N+](=O)[O-] ZINC000827043885 924672874 /nfs/dbraw/zinc/67/28/74/924672874.db2.gz ACMDJHJCCYRPDZ-UHFFFAOYSA-N 1 2 397.456 3.991 20 10 GHCDLO COc1c(O)c(C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000373471599 926165175 /nfs/dbraw/zinc/16/51/75/926165175.db2.gz WOMMIVKNZCWSGC-IBGZPJMESA-N 1 2 379.416 3.892 20 10 GHCDLO COc1c(O)c(C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000373471605 926165364 /nfs/dbraw/zinc/16/53/64/926165364.db2.gz WOMMIVKNZCWSGC-LJQANCHMSA-N 1 2 379.416 3.892 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2c(O)cccc2F)C1 ZINC001137838829 935817404 /nfs/dbraw/zinc/81/74/04/935817404.db2.gz LFMREYNARGYPFW-NEPJUHHUSA-N 1 2 392.393 3.809 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137838829 935817408 /nfs/dbraw/zinc/81/74/08/935817408.db2.gz LFMREYNARGYPFW-NEPJUHHUSA-N 1 2 392.393 3.809 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H](F)C1 ZINC001204323083 1032764650 /nfs/dbraw/zinc/76/46/50/1032764650.db2.gz DFWOCJNOWHWPHI-GOSISDBHSA-N 1 2 377.504 3.678 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H](F)C1 ZINC001204323083 1032764668 /nfs/dbraw/zinc/76/46/68/1032764668.db2.gz DFWOCJNOWHWPHI-GOSISDBHSA-N 1 2 377.504 3.678 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c1O ZINC001204342016 1032783481 /nfs/dbraw/zinc/78/34/81/1032783481.db2.gz NNDHMRSZCBQGSC-QGZVFWFLSA-N 1 2 392.293 3.607 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)c1O ZINC001204342016 1032783493 /nfs/dbraw/zinc/78/34/93/1032783493.db2.gz NNDHMRSZCBQGSC-QGZVFWFLSA-N 1 2 392.293 3.607 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1c(O)cccc1Cl)C[C@@H]2COc1cccnc1 ZINC001140339466 1021446968 /nfs/dbraw/zinc/44/69/68/1021446968.db2.gz VGOKZNQVNFLQFN-OAHLLOKOSA-N 1 2 398.894 3.835 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]2COc1cccnc1 ZINC001140339466 1021446975 /nfs/dbraw/zinc/44/69/75/1021446975.db2.gz VGOKZNQVNFLQFN-OAHLLOKOSA-N 1 2 398.894 3.835 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1cc(Br)cc(F)c1O ZINC000834896772 1021639634 /nfs/dbraw/zinc/63/96/34/1021639634.db2.gz CRVWGNUTJKYREX-IETSOEAISA-N 1 2 398.276 3.598 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1cc(Br)cc(F)c1O ZINC000834915441 1021677450 /nfs/dbraw/zinc/67/74/50/1021677450.db2.gz YRFKBQHCSUYORW-JVLSTEMRSA-N 1 2 398.276 3.598 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580948 1022000347 /nfs/dbraw/zinc/00/03/47/1022000347.db2.gz NBTATCMHKLQRDZ-IBGZPJMESA-N 1 2 378.444 3.751 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580948 1022000354 /nfs/dbraw/zinc/00/03/54/1022000354.db2.gz NBTATCMHKLQRDZ-IBGZPJMESA-N 1 2 378.444 3.751 20 10 GHCDLO Oc1cc(Br)ccc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001204675040 1033025521 /nfs/dbraw/zinc/02/55/21/1033025521.db2.gz XJUQPCOUIJWUMD-UHFFFAOYSA-N 1 2 384.277 3.899 20 10 GHCDLO COc1ccc(O)c([C@H](C)NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1 ZINC000755528504 1023285347 /nfs/dbraw/zinc/28/53/47/1023285347.db2.gz DSZQHBXNGLAFDV-AWEZNQCLSA-N 1 2 392.459 3.602 20 10 GHCDLO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756415871 1023636709 /nfs/dbraw/zinc/63/67/09/1023636709.db2.gz LAHKJYNEWREAQW-LLVKDONJSA-N 1 2 375.282 3.593 20 10 GHCDLO C[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Br)c(F)cc1O ZINC000756453899 1023659770 /nfs/dbraw/zinc/65/97/70/1023659770.db2.gz JMDBSMFYSVDDPA-JTQLQIEISA-N 1 2 399.235 3.514 20 10 GHCDLO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(Br)c(F)cc1O ZINC000756477659 1023676305 /nfs/dbraw/zinc/67/63/05/1023676305.db2.gz CMEXWLQNKPGRQL-LBPRGKRZSA-N 1 2 379.273 3.960 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)cc(F)c1O ZINC000756503789 1023687330 /nfs/dbraw/zinc/68/73/30/1023687330.db2.gz PPBDVFSHYHSKMD-WPRPVWTQSA-N 1 2 385.199 3.581 20 10 GHCDLO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756713101 1023784920 /nfs/dbraw/zinc/78/49/20/1023784920.db2.gz TYSLKGSDODDXLD-MEBBXXQBSA-N 1 2 384.245 3.687 20 10 GHCDLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Br)cc(F)c1O ZINC000756714540 1023785633 /nfs/dbraw/zinc/78/56/33/1023785633.db2.gz ZTATUPADYMRPEJ-RMLUDKJBSA-N 1 2 390.199 3.956 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000756779342 1023812262 /nfs/dbraw/zinc/81/22/62/1023812262.db2.gz JHUSXQJACLETMX-HIIUDZQISA-N 1 2 380.822 3.946 20 10 GHCDLO Cc1c(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c2ccccc2n1C ZINC001138253890 1024475966 /nfs/dbraw/zinc/47/59/66/1024475966.db2.gz JYCOXAUMDYWZFM-RJGXRXQPSA-N 1 2 377.488 3.693 20 10 GHCDLO Cc1c(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c2ccccc2n1C ZINC001138253890 1024475970 /nfs/dbraw/zinc/47/59/70/1024475970.db2.gz JYCOXAUMDYWZFM-RJGXRXQPSA-N 1 2 377.488 3.693 20 10 GHCDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000838721575 1025323489 /nfs/dbraw/zinc/32/34/89/1025323489.db2.gz ZQLOCNNQVOXZBM-UHFFFAOYSA-N 1 2 392.297 3.898 20 10 GHCDLO CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3cccc(Br)c3O)C2)C1 ZINC000839057804 1025548617 /nfs/dbraw/zinc/54/86/17/1025548617.db2.gz NPDXSINRFKCENW-UHFFFAOYSA-N 1 2 397.313 3.644 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cnc4[nH]ccc4c3Cl)CC2)c(OC)c1 ZINC001138935001 1025611315 /nfs/dbraw/zinc/61/13/15/1025611315.db2.gz UZZBAHUVIZBBCX-UHFFFAOYSA-N 1 2 386.883 3.507 20 10 GHCDLO Cc1cccnc1OC1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139129945 1025941377 /nfs/dbraw/zinc/94/13/77/1025941377.db2.gz LGKVVPITFRWBQQ-UHFFFAOYSA-N 1 2 380.444 3.554 20 10 GHCDLO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2c(O)ccc3c(C)cc(=O)oc32)cc1 ZINC001139129866 1025941619 /nfs/dbraw/zinc/94/16/19/1025941619.db2.gz IHFUOGXTXOXMIK-IBGZPJMESA-N 1 2 393.439 3.931 20 10 GHCDLO COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2c(O)ccc3c(C)cc(=O)oc32)cc1 ZINC001139129866 1025941631 /nfs/dbraw/zinc/94/16/31/1025941631.db2.gz IHFUOGXTXOXMIK-IBGZPJMESA-N 1 2 393.439 3.931 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(Cc3ccccc3O2)CC1 ZINC001139131100 1025943533 /nfs/dbraw/zinc/94/35/33/1025943533.db2.gz NEVODNUASUEMIT-UHFFFAOYSA-N 1 2 377.440 3.777 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001139132695 1025944593 /nfs/dbraw/zinc/94/45/93/1025944593.db2.gz ZIFNWKNRGTZPOZ-JOCHJYFZSA-N 1 2 383.419 3.694 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001139132695 1025944596 /nfs/dbraw/zinc/94/45/96/1025944596.db2.gz ZIFNWKNRGTZPOZ-JOCHJYFZSA-N 1 2 383.419 3.694 20 10 GHCDLO Cc1ccc(C)c(C[N@@H+]2CCn3c(COCC4CCOCC4)cnc3[C@H]2C)c1O ZINC001140179932 1026952649 /nfs/dbraw/zinc/95/26/49/1026952649.db2.gz AQBQZXOOMWTKOP-GOSISDBHSA-N 1 2 399.535 3.726 20 10 GHCDLO Cc1ccc(C)c(C[N@H+]2CCn3c(COCC4CCOCC4)cnc3[C@H]2C)c1O ZINC001140179932 1026952654 /nfs/dbraw/zinc/95/26/54/1026952654.db2.gz AQBQZXOOMWTKOP-GOSISDBHSA-N 1 2 399.535 3.726 20 10 GHCDLO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001203579252 1027447653 /nfs/dbraw/zinc/44/76/53/1027447653.db2.gz PLQOIYXPFVYVRM-UHFFFAOYSA-N 1 2 383.323 3.752 20 10 GHCDLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001203579252 1027447662 /nfs/dbraw/zinc/44/76/62/1027447662.db2.gz PLQOIYXPFVYVRM-UHFFFAOYSA-N 1 2 383.323 3.752 20 10 GHCDLO COc1ccc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(O)c1 ZINC001203621454 1027483362 /nfs/dbraw/zinc/48/33/62/1027483362.db2.gz UPQSUUXGOUNTKZ-UHFFFAOYSA-N 1 2 380.410 3.737 20 10 GHCDLO CN(CCO)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)[nH+]c1 ZINC001461307985 1069491497 /nfs/dbraw/zinc/49/14/97/1069491497.db2.gz OCEKWUUGMJTETP-UHFFFAOYSA-N 1 2 388.515 3.685 20 10 GHCDLO COC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1cccc(OC)c1 ZINC001461614722 1069641977 /nfs/dbraw/zinc/64/19/77/1069641977.db2.gz IOEAQMJOYTZPTH-INIZCTEOSA-N 1 2 384.245 3.780 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584854 1030214119 /nfs/dbraw/zinc/21/41/19/1030214119.db2.gz YKDVTHVRLQOQRV-IBGZPJMESA-N 1 2 384.495 3.835 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584854 1030214128 /nfs/dbraw/zinc/21/41/28/1030214128.db2.gz YKDVTHVRLQOQRV-IBGZPJMESA-N 1 2 384.495 3.835 20 10 GHCDLO [O-]c1cccc(F)c1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584854 1030214131 /nfs/dbraw/zinc/21/41/31/1030214131.db2.gz YKDVTHVRLQOQRV-IBGZPJMESA-N 1 2 384.495 3.835 20 10 GHCDLO [O-]c1cccc(F)c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584854 1030214137 /nfs/dbraw/zinc/21/41/37/1030214137.db2.gz YKDVTHVRLQOQRV-IBGZPJMESA-N 1 2 384.495 3.835 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001207373004 1034315174 /nfs/dbraw/zinc/31/51/74/1034315174.db2.gz WTQOUGJZDWJKNY-CYBMUJFWSA-N 1 2 391.874 3.902 20 10 GHCDLO CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231638485 1034794668 /nfs/dbraw/zinc/79/46/68/1034794668.db2.gz CDVZSYBVBBNJHD-ROUUACIJSA-N 1 2 385.460 3.765 20 10 GHCDLO CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231638485 1034794681 /nfs/dbraw/zinc/79/46/81/1034794681.db2.gz CDVZSYBVBBNJHD-ROUUACIJSA-N 1 2 385.460 3.765 20 10 GHCDLO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001461926240 1069892456 /nfs/dbraw/zinc/89/24/56/1069892456.db2.gz JHNLQDKTPDSOMR-UHFFFAOYSA-N 1 2 379.287 3.586 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](Cc1cccc(Cl)c1O)CCO2 ZINC001231909785 1034984474 /nfs/dbraw/zinc/98/44/74/1034984474.db2.gz IWQPGYCHBLWENO-UHFFFAOYSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](Cc1cccc(Cl)c1O)CCO2 ZINC001231909785 1034984482 /nfs/dbraw/zinc/98/44/82/1034984482.db2.gz IWQPGYCHBLWENO-UHFFFAOYSA-N 1 2 396.915 3.648 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001231910451 1034984579 /nfs/dbraw/zinc/98/45/79/1034984579.db2.gz QGCSLAMEOQQRKT-RTWAWAEBSA-N 1 2 386.923 3.563 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001231910451 1034984586 /nfs/dbraw/zinc/98/45/86/1034984586.db2.gz QGCSLAMEOQQRKT-RTWAWAEBSA-N 1 2 386.923 3.563 20 10 GHCDLO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1Cl ZINC001232269020 1037992147 /nfs/dbraw/zinc/99/21/47/1037992147.db2.gz YXFHSNRNNUISMG-OKILXGFUSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1Cl ZINC001232269020 1037992151 /nfs/dbraw/zinc/99/21/51/1037992151.db2.gz YXFHSNRNNUISMG-OKILXGFUSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1Cl ZINC001232270173 1037993448 /nfs/dbraw/zinc/99/34/48/1037993448.db2.gz WWPGMFIXGDBAIL-UHFFFAOYSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1Cl ZINC001232270173 1037993453 /nfs/dbraw/zinc/99/34/53/1037993453.db2.gz WWPGMFIXGDBAIL-UHFFFAOYSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1cccc2c1C[N@H+](Cc1ccc(I)cc1O)CC2 ZINC001232973904 1038744992 /nfs/dbraw/zinc/74/49/92/1038744992.db2.gz DRDPHNKEBIVUMN-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO COc1cccc2c1C[N@@H+](Cc1ccc(I)cc1O)CC2 ZINC001232973904 1038745000 /nfs/dbraw/zinc/74/50/00/1038745000.db2.gz DRDPHNKEBIVUMN-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)Cc2nnn(CC3CC3)c21 ZINC001233284124 1039058666 /nfs/dbraw/zinc/05/86/66/1039058666.db2.gz JMKFZQOJKHSUAQ-GOSISDBHSA-N 1 2 398.551 3.827 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)Cc2nnn(CC3CC3)c21 ZINC001233284124 1039058684 /nfs/dbraw/zinc/05/86/84/1039058684.db2.gz JMKFZQOJKHSUAQ-GOSISDBHSA-N 1 2 398.551 3.827 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001233333892 1039135076 /nfs/dbraw/zinc/13/50/76/1039135076.db2.gz LJNDWLBTUSMLCR-UHFFFAOYSA-N 1 2 389.402 3.583 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001233333892 1039135095 /nfs/dbraw/zinc/13/50/95/1039135095.db2.gz LJNDWLBTUSMLCR-UHFFFAOYSA-N 1 2 389.402 3.583 20 10 GHCDLO CC(C)(C)OC(=O)N1CCCC12C[NH+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233416421 1039273029 /nfs/dbraw/zinc/27/30/29/1039273029.db2.gz HLMAXUMEXYBNPL-UHFFFAOYSA-N 1 2 386.414 3.996 20 10 GHCDLO O=C1Nc2ccccc2CN1C1C[NH+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233776396 1039607327 /nfs/dbraw/zinc/60/73/27/1039607327.db2.gz RCVQRDBEXJTIOG-UHFFFAOYSA-N 1 2 393.365 3.523 20 10 GHCDLO CCOC(=O)c1nc2c(o1)CC[N@@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234996337 1040490093 /nfs/dbraw/zinc/49/00/93/1040490093.db2.gz AUZIYRXOXPFXCF-UHFFFAOYSA-N 1 2 378.428 3.782 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255601381 1041159110 /nfs/dbraw/zinc/15/91/10/1041159110.db2.gz DNMIEPZRONQIHF-OAHLLOKOSA-N 1 2 385.508 3.554 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255601381 1041159115 /nfs/dbraw/zinc/15/91/15/1041159115.db2.gz DNMIEPZRONQIHF-OAHLLOKOSA-N 1 2 385.508 3.554 20 10 GHCDLO Oc1c(F)ccc(F)c1CN(Cc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC001236498260 1041740443 /nfs/dbraw/zinc/74/04/43/1041740443.db2.gz ZFHVOTUQCZWRIA-UHFFFAOYSA-N 1 2 386.364 3.842 20 10 GHCDLO COc1cc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c(O)cc1Br ZINC001236750708 1041871622 /nfs/dbraw/zinc/87/16/22/1041871622.db2.gz LHRPRMHTAVKTIE-MRXNPFEDSA-N 1 2 392.293 3.607 20 10 GHCDLO COc1cc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)c(O)cc1Br ZINC001236750708 1041871626 /nfs/dbraw/zinc/87/16/26/1041871626.db2.gz LHRPRMHTAVKTIE-MRXNPFEDSA-N 1 2 392.293 3.607 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c(O)c1Cl ZINC001236806536 1041907100 /nfs/dbraw/zinc/90/71/00/1041907100.db2.gz BIZBBAVVOUBFNJ-CQSZACIVSA-N 1 2 378.856 3.501 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c(O)c1Cl ZINC001236806536 1041907101 /nfs/dbraw/zinc/90/71/01/1041907101.db2.gz BIZBBAVVOUBFNJ-CQSZACIVSA-N 1 2 378.856 3.501 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1Cl ZINC001236808264 1041908875 /nfs/dbraw/zinc/90/88/75/1041908875.db2.gz WNAXAMSSSMJFNM-ZDUSSCGKSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1Cl ZINC001236808264 1041908878 /nfs/dbraw/zinc/90/88/78/1041908878.db2.gz WNAXAMSSSMJFNM-ZDUSSCGKSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(CN2CC[NH+](C[C@H](OC)c3ccccc3)CC2)c(O)c1Cl ZINC001236808249 1041909075 /nfs/dbraw/zinc/90/90/75/1041909075.db2.gz WBMQLGKUKASXNG-IBGZPJMESA-N 1 2 390.911 3.560 20 10 GHCDLO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c(O)c1Cl ZINC001236814305 1041913024 /nfs/dbraw/zinc/91/30/24/1041913024.db2.gz VSLFSQAYNKGTIS-IBGZPJMESA-N 1 2 386.879 3.508 20 10 GHCDLO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023524 1041941748 /nfs/dbraw/zinc/94/17/48/1041941748.db2.gz ZCBOPAHPRWUJMJ-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023524 1041941753 /nfs/dbraw/zinc/94/17/53/1041941753.db2.gz ZCBOPAHPRWUJMJ-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO [NH3+]C[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)cc(Br)c1O ZINC001237028008 1041996225 /nfs/dbraw/zinc/99/62/25/1041996225.db2.gz LMSGDEXVBJXULS-HNNXBMFYSA-N 1 2 381.701 3.694 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC001237111937 1042044258 /nfs/dbraw/zinc/04/42/58/1042044258.db2.gz VMQZCQVWWHVXSM-UHFFFAOYSA-N 1 2 393.365 3.754 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)Cc2c1cnn2CC1CC1 ZINC001237123223 1042051090 /nfs/dbraw/zinc/05/10/90/1042051090.db2.gz IWTKZCRGHOKFEP-CQSZACIVSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)Cc2c1cnn2CC1CC1 ZINC001237123223 1042051092 /nfs/dbraw/zinc/05/10/92/1042051092.db2.gz IWTKZCRGHOKFEP-CQSZACIVSA-N 1 2 393.890 3.927 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1F ZINC001237125512 1042053345 /nfs/dbraw/zinc/05/33/45/1042053345.db2.gz DDAPEIXTZVTIDR-YPMHNXCESA-N 1 2 376.831 3.622 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1F ZINC001237125512 1042053347 /nfs/dbraw/zinc/05/33/47/1042053347.db2.gz DDAPEIXTZVTIDR-YPMHNXCESA-N 1 2 376.831 3.622 20 10 GHCDLO CCOC(=O)c1coc(C2CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)n1 ZINC001237128212 1042055141 /nfs/dbraw/zinc/05/51/41/1042055141.db2.gz MLXSNDQNKNLWFE-UHFFFAOYSA-N 1 2 382.819 3.729 20 10 GHCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001237134900 1042056618 /nfs/dbraw/zinc/05/66/18/1042056618.db2.gz DNFAONKUTOFGID-YTQUADARSA-N 1 2 394.393 3.617 20 10 GHCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001237134900 1042056621 /nfs/dbraw/zinc/05/66/21/1042056621.db2.gz DNFAONKUTOFGID-YTQUADARSA-N 1 2 394.393 3.617 20 10 GHCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001237136470 1042058218 /nfs/dbraw/zinc/05/82/18/1042058218.db2.gz FMZWDGKOKRIHNS-HNNXBMFYSA-N 1 2 395.425 3.666 20 10 GHCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001237136470 1042058222 /nfs/dbraw/zinc/05/82/22/1042058222.db2.gz FMZWDGKOKRIHNS-HNNXBMFYSA-N 1 2 395.425 3.666 20 10 GHCDLO Cn1nc(COCC2CC2)c2c1CC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237138010 1042059517 /nfs/dbraw/zinc/05/95/17/1042059517.db2.gz XBRRPFAFROHOQD-UHFFFAOYSA-N 1 2 395.425 3.629 20 10 GHCDLO Cn1nc(COCC2CC2)c2c1CC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237138010 1042059522 /nfs/dbraw/zinc/05/95/22/1042059522.db2.gz XBRRPFAFROHOQD-UHFFFAOYSA-N 1 2 395.425 3.629 20 10 GHCDLO CCCCN(CCCC)c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC001237216206 1042093487 /nfs/dbraw/zinc/09/34/87/1042093487.db2.gz QSLDEONTVWMCHF-JOCHJYFZSA-N 1 2 389.584 3.705 20 10 GHCDLO Oc1c(I)cccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001237780953 1042365501 /nfs/dbraw/zinc/36/55/01/1042365501.db2.gz ZLCNTNFBEUNVFO-OAHLLOKOSA-N 1 2 380.229 3.729 20 10 GHCDLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237785331 1042368130 /nfs/dbraw/zinc/36/81/30/1042368130.db2.gz FWNOPVUOLMEPKD-CQSZACIVSA-N 1 2 396.203 3.559 20 10 GHCDLO C[N@H+](Cc1cncnc1)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237785879 1042369265 /nfs/dbraw/zinc/36/92/65/1042369265.db2.gz JUKQFKUDVQQVGF-UHFFFAOYSA-N 1 2 376.176 3.596 20 10 GHCDLO C[N@@H+](Cc1cncnc1)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237785879 1042369267 /nfs/dbraw/zinc/36/92/67/1042369267.db2.gz JUKQFKUDVQQVGF-UHFFFAOYSA-N 1 2 376.176 3.596 20 10 GHCDLO [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001237799281 1042376410 /nfs/dbraw/zinc/37/64/10/1042376410.db2.gz GYRYKNJZMPUYDK-UHFFFAOYSA-N 1 2 394.874 3.645 20 10 GHCDLO [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001237799281 1042376412 /nfs/dbraw/zinc/37/64/12/1042376412.db2.gz GYRYKNJZMPUYDK-UHFFFAOYSA-N 1 2 394.874 3.645 20 10 GHCDLO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)[C@@H]2CCCO[C@H]12 ZINC001237938459 1042429596 /nfs/dbraw/zinc/42/95/96/1042429596.db2.gz ZAYKQQGEZDLKFU-GGPKGHCWSA-N 1 2 394.874 3.642 20 10 GHCDLO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)[C@@H]2CCCO[C@H]12 ZINC001237938459 1042429598 /nfs/dbraw/zinc/42/95/98/1042429598.db2.gz ZAYKQQGEZDLKFU-GGPKGHCWSA-N 1 2 394.874 3.642 20 10 GHCDLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)[C@@H]2CCCO[C@H]12 ZINC001237938459 1042429601 /nfs/dbraw/zinc/42/96/01/1042429601.db2.gz ZAYKQQGEZDLKFU-GGPKGHCWSA-N 1 2 394.874 3.642 20 10 GHCDLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)[C@@H]2CCCO[C@H]12 ZINC001237938459 1042429606 /nfs/dbraw/zinc/42/96/06/1042429606.db2.gz ZAYKQQGEZDLKFU-GGPKGHCWSA-N 1 2 394.874 3.642 20 10 GHCDLO COCCOc1ccccc1N1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237942830 1042432205 /nfs/dbraw/zinc/43/22/05/1042432205.db2.gz GQPGNLQGDTVFGK-UHFFFAOYSA-N 1 2 394.874 3.532 20 10 GHCDLO Cc1ncsc1CN1CC2(C1)CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001279442091 1047808684 /nfs/dbraw/zinc/80/86/84/1047808684.db2.gz LFBQOJCSMWOWFH-UHFFFAOYSA-N 1 2 377.941 3.909 20 10 GHCDLO Cc1ncsc1CN1CC2(C1)CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001279442091 1047808691 /nfs/dbraw/zinc/80/86/91/1047808691.db2.gz LFBQOJCSMWOWFH-UHFFFAOYSA-N 1 2 377.941 3.909 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279664057 1047903801 /nfs/dbraw/zinc/90/38/01/1047903801.db2.gz PRCZGOKJAPNXBH-UHFFFAOYSA-N 1 2 381.307 3.520 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279664057 1047903811 /nfs/dbraw/zinc/90/38/11/1047903811.db2.gz PRCZGOKJAPNXBH-UHFFFAOYSA-N 1 2 381.307 3.520 20 10 GHCDLO CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001279676941 1047910446 /nfs/dbraw/zinc/91/04/46/1047910446.db2.gz SBWSEDDMQCGJRA-UHFFFAOYSA-N 1 2 386.323 3.715 20 10 GHCDLO CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001279676941 1047910455 /nfs/dbraw/zinc/91/04/55/1047910455.db2.gz SBWSEDDMQCGJRA-UHFFFAOYSA-N 1 2 386.323 3.715 20 10 GHCDLO Cc1ncsc1C[NH+]1CC2(CN(Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001279676527 1047910553 /nfs/dbraw/zinc/91/05/53/1047910553.db2.gz GRTVFOXVSZRJLC-UHFFFAOYSA-N 1 2 384.332 3.782 20 10 GHCDLO COC(=O)C[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001308969278 1050230278 /nfs/dbraw/zinc/23/02/78/1050230278.db2.gz POJPMPLGSVPTEQ-OAHLLOKOSA-N 1 2 396.256 3.558 20 10 GHCDLO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1F ZINC001329731598 1050895647 /nfs/dbraw/zinc/89/56/47/1050895647.db2.gz MUEYSDCBSBZSBP-HNNXBMFYSA-N 1 2 390.352 3.753 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC001323175622 1056934081 /nfs/dbraw/zinc/93/40/81/1056934081.db2.gz ASEJPZMVNVDACF-LJQANCHMSA-N 1 2 381.520 3.851 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cc(Br)cc(F)c1O ZINC000848557848 1057177670 /nfs/dbraw/zinc/17/76/70/1057177670.db2.gz HVYFLGCNGZNOMN-QFYYESIMSA-N 1 2 393.256 3.898 20 10 GHCDLO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3O)c2)CC1 ZINC001448057191 1060092751 /nfs/dbraw/zinc/09/27/51/1060092751.db2.gz VCNPBFBLWFPPEU-UHFFFAOYSA-N 1 2 393.409 3.805 20 10 GHCDLO O=C(NCc1ccc2cccnc2c1O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001451965559 1060878541 /nfs/dbraw/zinc/87/85/41/1060878541.db2.gz ZIOLQPNGAIXRIC-MAEOIBBWSA-N 1 2 376.460 3.623 20 10 GHCDLO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC001452959856 1061050904 /nfs/dbraw/zinc/05/09/04/1061050904.db2.gz HCXHQMFYFYRFKR-QFIPXVFZSA-N 1 2 395.547 3.764 20 10 GHCDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(F)F ZINC001347792002 1062670252 /nfs/dbraw/zinc/67/02/52/1062670252.db2.gz MUMIICIKABWBCM-KRWDZBQOSA-N 1 2 383.483 3.925 20 10 GHCDLO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(OCC)cc3)CC2)cc1 ZINC001459797023 1064221191 /nfs/dbraw/zinc/22/11/91/1064221191.db2.gz NDVPCPHHLPWQNL-GOSISDBHSA-N 1 2 397.519 3.633 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000847480562 1065404395 /nfs/dbraw/zinc/40/43/95/1065404395.db2.gz OOLINBDPXABWKU-KRWDZBQOSA-N 1 2 392.503 3.896 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000847480562 1065404408 /nfs/dbraw/zinc/40/44/08/1065404408.db2.gz OOLINBDPXABWKU-KRWDZBQOSA-N 1 2 392.503 3.896 20 10 GHCDLO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@@H]1C ZINC001473403252 1073950806 /nfs/dbraw/zinc/95/08/06/1073950806.db2.gz SYSUNZOLRIFIFA-OWCLPIDISA-N 1 2 390.483 3.909 20 10 GHCDLO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@@H]1C ZINC001473403252 1073950810 /nfs/dbraw/zinc/95/08/10/1073950810.db2.gz SYSUNZOLRIFIFA-OWCLPIDISA-N 1 2 390.483 3.909 20 10 GHCDLO CCOC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001473844365 1074171267 /nfs/dbraw/zinc/17/12/67/1074171267.db2.gz AZJGQADXBGCJOT-MRXNPFEDSA-N 1 2 380.448 3.926 20 10 GHCDLO CCOC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001473844365 1074171270 /nfs/dbraw/zinc/17/12/70/1074171270.db2.gz AZJGQADXBGCJOT-MRXNPFEDSA-N 1 2 380.448 3.926 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1nnc2ccccn21 ZINC001473921604 1074204908 /nfs/dbraw/zinc/20/49/08/1074204908.db2.gz OEFYLJBVMDDBAT-VIFPVBQESA-N 1 2 381.661 3.702 20 10 GHCDLO COc1ccccc1O[C@@H](C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC001474027212 1074240467 /nfs/dbraw/zinc/24/04/67/1074240467.db2.gz CNJXPEIWCZWOFR-NSHDSACASA-N 1 2 384.245 3.860 20 10 GHCDLO Cn1cc(C[C@H]2CC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)cn1 ZINC001474360239 1074363161 /nfs/dbraw/zinc/36/31/61/1074363161.db2.gz MDPSMVAYEXNXAW-LLVKDONJSA-N 1 2 384.705 3.606 20 10 GHCDLO Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)cn1 ZINC001474360239 1074363169 /nfs/dbraw/zinc/36/31/69/1074363169.db2.gz MDPSMVAYEXNXAW-LLVKDONJSA-N 1 2 384.705 3.606 20 10 GHCDLO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(F)cc(F)c2O)[C@H](C)C1 ZINC001474470154 1074420612 /nfs/dbraw/zinc/42/06/12/1074420612.db2.gz ARGZKKHLQPYOAT-OAHLLOKOSA-N 1 2 376.447 3.775 20 10 GHCDLO COC(=O)c1c(C[NH2+]Cc2ccc(C)nc2Cl)c2cc(F)ccc2n1C ZINC001474686261 1074515453 /nfs/dbraw/zinc/51/54/53/1074515453.db2.gz QFEWSTADCUJHEB-UHFFFAOYSA-N 1 2 375.831 3.751 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)ccc21 ZINC000728611601 836029232 /nfs/dbraw/zinc/02/92/32/836029232.db2.gz RFGLJTPQAKLMPS-OAQYLSRUSA-N 1 2 396.535 3.946 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)ccc21 ZINC000378078195 838382170 /nfs/dbraw/zinc/38/21/70/838382170.db2.gz OAZZEGHVIVNCOH-UHFFFAOYSA-N 1 2 380.492 3.647 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)ccc21 ZINC000378078195 838382177 /nfs/dbraw/zinc/38/21/77/838382177.db2.gz OAZZEGHVIVNCOH-UHFFFAOYSA-N 1 2 380.492 3.647 20 10 GHCDLO C[N@@H+](Cc1ncnn1CC(F)F)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000782978517 838586680 /nfs/dbraw/zinc/58/66/80/838586680.db2.gz FXHJLELTUOWXSN-UHFFFAOYSA-N 1 2 376.407 3.506 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1O ZINC000756433718 839365149 /nfs/dbraw/zinc/36/51/49/839365149.db2.gz XZHXDCBDYHDGPT-UWVGGRQHSA-N 1 2 399.226 3.829 20 10 GHCDLO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756639659 840795909 /nfs/dbraw/zinc/79/59/09/840795909.db2.gz BLIFTMLMUNLASB-SCVCMEIPSA-N 1 2 378.694 3.653 20 10 GHCDLO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NCc1ccc(N)nc1C)N=[N+]=[N-] ZINC001167785159 842357132 /nfs/dbraw/zinc/35/71/32/842357132.db2.gz KCSWFLMQKHFRRZ-SXGWCWSVSA-N 1 2 381.440 3.810 20 10 GHCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000271831130 846929900 /nfs/dbraw/zinc/92/99/00/846929900.db2.gz OVNPNUXUBKEWSA-KCJUWKMLSA-N 1 2 379.092 3.574 20 10 GHCDLO COc1cccc([C@H](C)N2CC[NH+](Cc3cc(Cl)cc(OC)c3O)CC2)c1 ZINC000761194241 859069141 /nfs/dbraw/zinc/06/91/41/859069141.db2.gz SAJQBLKXUVCUAV-HNNXBMFYSA-N 1 2 390.911 3.942 20 10 GHCDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cccc(Br)c1O ZINC000764933972 859690232 /nfs/dbraw/zinc/69/02/32/859690232.db2.gz HBXYHWADZBRCJM-UHFFFAOYSA-N 1 2 376.258 3.662 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2C)cc1 ZINC000727738600 860209830 /nfs/dbraw/zinc/20/98/30/860209830.db2.gz MFCUCYYZBKJMBE-QGZVFWFLSA-N 1 2 378.476 3.846 20 10 GHCDLO Cc1cc(CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)n1-c1ccccc1 ZINC000727938341 860331035 /nfs/dbraw/zinc/33/10/35/860331035.db2.gz QMHSLJCEIKSNPA-FQEVSTJZSA-N 1 2 391.519 3.949 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(OC(C)C)CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000730571173 861176217 /nfs/dbraw/zinc/17/62/17/861176217.db2.gz UQTVUMSPHXBBRK-UHFFFAOYSA-N 1 2 398.503 3.895 20 10 GHCDLO O=C(NCCCSc1nccs1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000734513240 864268871 /nfs/dbraw/zinc/26/88/71/864268871.db2.gz WJTHQMYEGZCDTR-UHFFFAOYSA-N 1 2 397.595 3.889 20 10 GHCDLO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000185360532 866015709 /nfs/dbraw/zinc/01/57/09/866015709.db2.gz HKUREXHISGACRQ-GJZGRUSLSA-N 1 2 375.463 3.834 20 10 GHCDLO CCOc1cccc(C[N@@H+]2CCOc3c(Br)cccc3C2)c1O ZINC000793226598 882023206 /nfs/dbraw/zinc/02/32/06/882023206.db2.gz LMPARHBHRMVXDB-UHFFFAOYSA-N 1 2 378.266 3.948 20 10 GHCDLO CCOc1cccc(C[N@H+]2CCOc3c(Br)cccc3C2)c1O ZINC000793226598 882023224 /nfs/dbraw/zinc/02/32/24/882023224.db2.gz LMPARHBHRMVXDB-UHFFFAOYSA-N 1 2 378.266 3.948 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCOc3c(Br)cccc3C2)cc1OC ZINC000793227363 882023255 /nfs/dbraw/zinc/02/32/55/882023255.db2.gz RWPCRMICGKGVSR-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCOc3c(Br)cccc3C2)cc1OC ZINC000793227363 882023274 /nfs/dbraw/zinc/02/32/74/882023274.db2.gz RWPCRMICGKGVSR-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCc3ccc(Br)cc3C2)ccc1[N+](=O)[O-] ZINC000793617185 882333103 /nfs/dbraw/zinc/33/31/03/882333103.db2.gz WRHCFXMYRZCHGJ-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCc3ccc(Br)cc3C2)ccc1[N+](=O)[O-] ZINC000793617185 882333119 /nfs/dbraw/zinc/33/31/19/882333119.db2.gz WRHCFXMYRZCHGJ-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO O=C(NCCc1cccs1)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775665574 872516805 /nfs/dbraw/zinc/51/68/05/872516805.db2.gz TYAWXNTXNWLPGI-UHFFFAOYSA-N 1 2 396.915 3.817 20 10 GHCDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)c(C)o1 ZINC000775678603 872811564 /nfs/dbraw/zinc/81/15/64/872811564.db2.gz FYHPEPQUKOLQDQ-UHFFFAOYSA-N 1 2 380.847 3.789 20 10 GHCDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775696184 872950610 /nfs/dbraw/zinc/95/06/10/872950610.db2.gz IILZAXJOBGBGDH-MRXNPFEDSA-N 1 2 378.266 3.809 20 10 GHCDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775696184 872950617 /nfs/dbraw/zinc/95/06/17/872950617.db2.gz IILZAXJOBGBGDH-MRXNPFEDSA-N 1 2 378.266 3.809 20 10 GHCDLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000768251573 873191080 /nfs/dbraw/zinc/19/10/80/873191080.db2.gz PIMXDBRXVFDSQN-UHFFFAOYSA-N 1 2 395.341 3.769 20 10 GHCDLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000768251573 873191087 /nfs/dbraw/zinc/19/10/87/873191087.db2.gz PIMXDBRXVFDSQN-UHFFFAOYSA-N 1 2 395.341 3.769 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1O ZINC000775741833 873334192 /nfs/dbraw/zinc/33/41/92/873334192.db2.gz QBBMBKGOEQZXSZ-UHFFFAOYSA-N 1 2 391.870 3.957 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c1O ZINC000769398905 874018754 /nfs/dbraw/zinc/01/87/54/874018754.db2.gz MSEKYGOJEVNTAR-IBGZPJMESA-N 1 2 392.293 3.911 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c1O ZINC000769398905 874018770 /nfs/dbraw/zinc/01/87/70/874018770.db2.gz MSEKYGOJEVNTAR-IBGZPJMESA-N 1 2 392.293 3.911 20 10 GHCDLO Brc1cc2c(s1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000769542408 874146585 /nfs/dbraw/zinc/14/65/85/874146585.db2.gz IGUXOCVHDRGECO-UHFFFAOYSA-N 1 2 393.350 3.906 20 10 GHCDLO Brc1cc2c(s1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000769542408 874146590 /nfs/dbraw/zinc/14/65/90/874146590.db2.gz IGUXOCVHDRGECO-UHFFFAOYSA-N 1 2 393.350 3.906 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000770663832 874810051 /nfs/dbraw/zinc/81/00/51/874810051.db2.gz CUVYNHZAMYZFLT-UHFFFAOYSA-N 1 2 390.487 3.886 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC001201595317 875774480 /nfs/dbraw/zinc/77/44/80/875774480.db2.gz PMDLEHWBSAZAET-QGZVFWFLSA-N 1 2 380.257 3.897 20 10 GHCDLO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000529640674 876431374 /nfs/dbraw/zinc/43/13/74/876431374.db2.gz CPVWHKJVIMHBKY-OTYXRUKQSA-N 1 2 391.103 3.574 20 10 GHCDLO COc1cc(C[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850184411 876718491 /nfs/dbraw/zinc/71/84/91/876718491.db2.gz XGMUFJALZFOZBC-UHFFFAOYSA-N 1 2 384.455 3.912 20 10 GHCDLO COc1cc(C[NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850184411 876718496 /nfs/dbraw/zinc/71/84/96/876718496.db2.gz XGMUFJALZFOZBC-UHFFFAOYSA-N 1 2 384.455 3.912 20 10 GHCDLO CCOC(=O)[C@@](C)(C[NH2+]Cc1cccc(Br)c1O)c1ccccc1 ZINC000787436937 877423578 /nfs/dbraw/zinc/42/35/78/877423578.db2.gz KRBNPEWWPAZESK-IBGZPJMESA-N 1 2 392.293 3.765 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000746757131 878242784 /nfs/dbraw/zinc/24/27/84/878242784.db2.gz FJIHPRWFNAQSTL-UHFFFAOYSA-N 1 2 379.508 3.531 20 10 GHCDLO C[C@@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1cc(Cl)c(Cl)cc1O ZINC000858587061 883216168 /nfs/dbraw/zinc/21/61/68/883216168.db2.gz ZTQBBALTRFTSQV-SNVBAGLBSA-N 1 2 380.279 3.606 20 10 GHCDLO COc1ccc(N2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000795866854 912937672 /nfs/dbraw/zinc/93/76/72/912937672.db2.gz KLYKSMUGTWHWMC-UHFFFAOYSA-N 1 2 377.391 3.594 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000795866854 912937679 /nfs/dbraw/zinc/93/76/79/912937679.db2.gz KLYKSMUGTWHWMC-UHFFFAOYSA-N 1 2 377.391 3.594 20 10 GHCDLO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cc(Br)cc(F)c3O)[C@H]2C1 ZINC000808723722 886708071 /nfs/dbraw/zinc/70/80/71/886708071.db2.gz PZCXHNQHKJUXQP-VTBSOJSOSA-N 1 2 399.304 3.591 20 10 GHCDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc(Cl)c1O ZINC001184265919 913109251 /nfs/dbraw/zinc/10/92/51/913109251.db2.gz WRYUDOJFDKBOEJ-UHFFFAOYSA-N 1 2 385.851 3.698 20 10 GHCDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)n1-c1ccccn1 ZINC000915671465 887299156 /nfs/dbraw/zinc/29/91/56/887299156.db2.gz TZFJDAUVVQLHDP-UHFFFAOYSA-N 1 2 380.517 3.509 20 10 GHCDLO O=C(OCCCn1cc[nH+]c1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000763289989 888451350 /nfs/dbraw/zinc/45/13/50/888451350.db2.gz YJDSGVPIBFRZBC-UHFFFAOYSA-N 1 2 394.814 3.559 20 10 GHCDLO CN(C)c1ccc(C[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1 ZINC000917074028 890964555 /nfs/dbraw/zinc/96/45/55/890964555.db2.gz NMVLPKPEMYUDAM-UHFFFAOYSA-N 1 2 392.952 3.844 20 10 GHCDLO CN(C)c1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1 ZINC000917074028 890964562 /nfs/dbraw/zinc/96/45/62/890964562.db2.gz NMVLPKPEMYUDAM-UHFFFAOYSA-N 1 2 392.952 3.844 20 10 GHCDLO C[N@H+](Cc1csc(-c2ccccn2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000124284617 891367213 /nfs/dbraw/zinc/36/72/13/891367213.db2.gz UECAQRWSLQRPOW-UHFFFAOYSA-N 1 2 380.517 3.674 20 10 GHCDLO C[N@@H+](Cc1csc(-c2ccccn2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000124284617 891367219 /nfs/dbraw/zinc/36/72/19/891367219.db2.gz UECAQRWSLQRPOW-UHFFFAOYSA-N 1 2 380.517 3.674 20 10 GHCDLO Nc1ccc2c(c1Nc1ccc[nH+]c1N1CCCC1)C(=O)c1ccccc1C2=O ZINC001184964575 913551156 /nfs/dbraw/zinc/55/11/56/913551156.db2.gz OUJWOUSQCVTDCR-UHFFFAOYSA-N 1 2 384.439 3.783 20 10 GHCDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC000875406774 892597881 /nfs/dbraw/zinc/59/78/81/892597881.db2.gz FTWWRZPWWOSQNV-FQEVSTJZSA-N 1 2 376.460 3.672 20 10 GHCDLO CC[NH+]1CCN(c2ccc(CNCc3cccc(O)c3Cl)cc2F)CC1 ZINC000815123976 893457913 /nfs/dbraw/zinc/45/79/13/893457913.db2.gz MGYGCYHCPZLYML-UHFFFAOYSA-N 1 2 377.891 3.616 20 10 GHCDLO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2F)C[C@H](C)O1 ZINC000816535983 894905732 /nfs/dbraw/zinc/90/57/32/894905732.db2.gz ILDBIGMMMMHIRI-BETUJISGSA-N 1 2 380.410 3.713 20 10 GHCDLO COC1(CC[NH2+]Cc2cc(Br)cc(Br)c2O)CCC1 ZINC000816638393 894982134 /nfs/dbraw/zinc/98/21/34/894982134.db2.gz KNJFJYYRIBVWPZ-UHFFFAOYSA-N 1 2 393.119 3.966 20 10 GHCDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817786222 895908196 /nfs/dbraw/zinc/90/81/96/895908196.db2.gz SOVKZBDCBMNNNB-UHFFFAOYSA-N 1 2 392.297 3.898 20 10 GHCDLO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000824636231 899729741 /nfs/dbraw/zinc/72/97/41/899729741.db2.gz MRACAGXQKVWGFM-TVQRCGJNSA-N 1 2 393.119 3.510 20 10 GHCDLO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000824636231 899729747 /nfs/dbraw/zinc/72/97/47/899729747.db2.gz MRACAGXQKVWGFM-TVQRCGJNSA-N 1 2 393.119 3.510 20 10 GHCDLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307809 901698784 /nfs/dbraw/zinc/69/87/84/901698784.db2.gz CJUKAPVTKUWFIV-ZDUSSCGKSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307809 901698801 /nfs/dbraw/zinc/69/88/01/901698801.db2.gz CJUKAPVTKUWFIV-ZDUSSCGKSA-N 1 2 381.245 3.651 20 10 GHCDLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000773136100 904465884 /nfs/dbraw/zinc/46/58/84/904465884.db2.gz FRAUTRGONZXXJN-ZIAGYGMSSA-N 1 2 377.920 3.830 20 10 GHCDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cc(F)cc(C(C)=O)c3O)n2)c1 ZINC000185125636 907717319 /nfs/dbraw/zinc/71/73/19/907717319.db2.gz DIJQANHWXDIMDE-NSHDSACASA-N 1 2 385.395 3.643 20 10 GHCDLO C[C@H]1CCC[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001190590334 917433810 /nfs/dbraw/zinc/43/38/10/917433810.db2.gz YNMUWQWTHTYTOT-DOTOQJQBSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001190590334 917433811 /nfs/dbraw/zinc/43/38/11/917433811.db2.gz YNMUWQWTHTYTOT-DOTOQJQBSA-N 1 2 390.483 3.911 20 10 GHCDLO CCC[C@@]1(C2CC2)NC(=O)N(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000802724298 922359832 /nfs/dbraw/zinc/35/98/32/922359832.db2.gz PLFXTTOYYLZMGG-QHCPKHFHSA-N 1 2 398.551 3.567 20 10 GHCDLO CCC[C@@]1(C2CC2)NC(=O)N(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000802724298 922359848 /nfs/dbraw/zinc/35/98/48/922359848.db2.gz PLFXTTOYYLZMGG-QHCPKHFHSA-N 1 2 398.551 3.567 20 10 GHCDLO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](CC)c2cccc(Cl)c2O)c1 ZINC000903232483 922870977 /nfs/dbraw/zinc/87/09/77/922870977.db2.gz AGIRURCAOVRAKF-QGZVFWFLSA-N 1 2 382.913 3.585 20 10 GHCDLO CC[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cccc(Cl)c1O ZINC000903435563 923026722 /nfs/dbraw/zinc/02/67/22/923026722.db2.gz SADIYVPLRUGYSG-GWCFXTLKSA-N 1 2 383.279 3.514 20 10 GHCDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)on1 ZINC000827430427 925498855 /nfs/dbraw/zinc/49/88/55/925498855.db2.gz LUOLQZRSXAFSHU-SFHVURJKSA-N 1 2 382.439 3.944 20 10 GHCDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)on1 ZINC000827430427 925498858 /nfs/dbraw/zinc/49/88/58/925498858.db2.gz LUOLQZRSXAFSHU-SFHVURJKSA-N 1 2 382.439 3.944 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)c1nccn1C ZINC000827722553 925937472 /nfs/dbraw/zinc/93/74/72/925937472.db2.gz MTNTUWYLQDJFPB-MRVPVSSYSA-N 1 2 389.091 3.502 20 10 GHCDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000389853324 926389238 /nfs/dbraw/zinc/38/92/38/926389238.db2.gz XWNFWMJOOFRNHB-WFASDCNBSA-N 1 2 399.329 3.890 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC000758376619 930026750 /nfs/dbraw/zinc/02/67/50/930026750.db2.gz IPZISEAKGJTCBN-GOSISDBHSA-N 1 2 378.394 3.701 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC000758376619 930026756 /nfs/dbraw/zinc/02/67/56/930026756.db2.gz IPZISEAKGJTCBN-GOSISDBHSA-N 1 2 378.394 3.701 20 10 GHCDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C1=CC(=O)CS1 ZINC001118577648 934202055 /nfs/dbraw/zinc/20/20/55/934202055.db2.gz IXXQEKXKQIKTBH-UHFFFAOYSA-N 1 2 385.489 3.782 20 10 GHCDLO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)Cc2ccc(N(C)C)c(C)c2)cn1 ZINC001139670947 935557144 /nfs/dbraw/zinc/55/71/44/935557144.db2.gz HJWQSVHBQCYXMH-UHFFFAOYSA-N 1 2 394.567 3.830 20 10 GHCDLO CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)Cc2ccc(N(C)C)c(C)c2)cn1 ZINC001139670947 935557148 /nfs/dbraw/zinc/55/71/48/935557148.db2.gz HJWQSVHBQCYXMH-UHFFFAOYSA-N 1 2 394.567 3.830 20 10 GHCDLO Cc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c1 ZINC000800532109 1021316950 /nfs/dbraw/zinc/31/69/50/1021316950.db2.gz LKITWKJNDKDPQZ-IBGZPJMESA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c1 ZINC000800532109 1021316967 /nfs/dbraw/zinc/31/69/67/1021316967.db2.gz LKITWKJNDKDPQZ-IBGZPJMESA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000834909594 1021668148 /nfs/dbraw/zinc/66/81/48/1021668148.db2.gz AXBDUFQTJWEZIZ-KOLCDFICSA-N 1 2 396.260 3.675 20 10 GHCDLO CN(C)c1nc(NCc2ccc(N3CCC(CO)CC3)cc2)[nH+]c2ccccc21 ZINC000827416216 1022154711 /nfs/dbraw/zinc/15/47/11/1022154711.db2.gz XFBULADUNVFUNC-UHFFFAOYSA-N 1 2 391.519 3.517 20 10 GHCDLO CCN(CC)c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001140857463 1022714697 /nfs/dbraw/zinc/71/46/97/1022714697.db2.gz YTVIGOLQBCYMLG-HXUWFJFHSA-N 1 2 381.511 3.934 20 10 GHCDLO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)cc(F)c1O ZINC000756370480 1023614384 /nfs/dbraw/zinc/61/43/84/1023614384.db2.gz IZPDKGVBTPBRKX-ORAYPTAESA-N 1 2 380.410 3.534 20 10 GHCDLO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(Br)cc(Cl)c1O ZINC000756476991 1023675205 /nfs/dbraw/zinc/67/52/05/1023675205.db2.gz VBGSVAFZDWGZKO-LLVKDONJSA-N 1 2 397.700 3.775 20 10 GHCDLO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(Br)c(F)cc1O ZINC000756511627 1023692321 /nfs/dbraw/zinc/69/23/21/1023692321.db2.gz XJGLGJRPPLLKJE-LBPRGKRZSA-N 1 2 387.293 3.737 20 10 GHCDLO COc1cc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2)cc(OC)c1 ZINC000756647953 1023753178 /nfs/dbraw/zinc/75/31/78/1023753178.db2.gz UHOSWTYWFLZKAU-BBRMVZONSA-N 1 2 392.446 3.613 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(Br)cc(F)c1O ZINC000756660203 1023760495 /nfs/dbraw/zinc/76/04/95/1023760495.db2.gz KZZQROARMRNYSI-ZBEGNZNMSA-N 1 2 393.256 3.750 20 10 GHCDLO COc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2O)N(C)C)cc1OC ZINC000756664726 1023763550 /nfs/dbraw/zinc/76/35/50/1023763550.db2.gz PGYMNUBEPNTCBD-SJKOYZFVSA-N 1 2 380.435 3.641 20 10 GHCDLO C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cc(F)cc(F)c1O ZINC000756703919 1023781430 /nfs/dbraw/zinc/78/14/30/1023781430.db2.gz KQDDBEXXXMABHF-JTQLQIEISA-N 1 2 399.235 3.514 20 10 GHCDLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(Br)cc(F)c1O ZINC000756714539 1023785567 /nfs/dbraw/zinc/78/55/67/1023785567.db2.gz ZTATUPADYMRPEJ-CLAHSXSESA-N 1 2 390.199 3.956 20 10 GHCDLO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000756776037 1023811270 /nfs/dbraw/zinc/81/12/70/1023811270.db2.gz UQGYZDSIFCYIFT-ZWNOBZJWSA-N 1 2 396.256 3.957 20 10 GHCDLO CCOC(=O)c1nc2c(s1)C[N@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138220598 1024394358 /nfs/dbraw/zinc/39/43/58/1024394358.db2.gz HGJDPMXYTDRMCM-UHFFFAOYSA-N 1 2 385.533 3.868 20 10 GHCDLO CCOC(=O)c1nc2c(s1)C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138220598 1024394373 /nfs/dbraw/zinc/39/43/73/1024394373.db2.gz HGJDPMXYTDRMCM-UHFFFAOYSA-N 1 2 385.533 3.868 20 10 GHCDLO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141373196 1024761354 /nfs/dbraw/zinc/76/13/54/1024761354.db2.gz RLOTVGDWTFNZLC-ZJUUUORDSA-N 1 2 376.678 3.582 20 10 GHCDLO COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141373196 1024761363 /nfs/dbraw/zinc/76/13/63/1024761363.db2.gz RLOTVGDWTFNZLC-ZJUUUORDSA-N 1 2 376.678 3.582 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(OC)c3Cl)CC2)cc1 ZINC001139114362 1025922704 /nfs/dbraw/zinc/92/27/04/1025922704.db2.gz FUVFQVILUHBFEE-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO CCOC(=O)CC[N@H+](Cc1ccccc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139124762 1025937475 /nfs/dbraw/zinc/93/74/75/1025937475.db2.gz FFMDGPCVUQADRH-UHFFFAOYSA-N 1 2 395.455 3.762 20 10 GHCDLO CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139124762 1025937482 /nfs/dbraw/zinc/93/74/82/1025937482.db2.gz FFMDGPCVUQADRH-UHFFFAOYSA-N 1 2 395.455 3.762 20 10 GHCDLO CCOc1cccc(N2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)c1 ZINC001139130926 1025943721 /nfs/dbraw/zinc/94/37/21/1025943721.db2.gz JZNZCCSOJWTIRW-UHFFFAOYSA-N 1 2 394.471 3.528 20 10 GHCDLO Oc1ccc(F)c(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001140053007 1026832328 /nfs/dbraw/zinc/83/23/28/1026832328.db2.gz KYNJLVVSSVMZJP-UHFFFAOYSA-N 1 2 393.462 3.828 20 10 GHCDLO C[C@@H]1C[N@H+](CCSc2ncc(-c3ccccc3)n2CC(F)(F)F)CCO1 ZINC000840193813 1027332375 /nfs/dbraw/zinc/33/23/75/1027332375.db2.gz QPJKYBDNRYRUAM-CQSZACIVSA-N 1 2 385.455 3.925 20 10 GHCDLO C[C@@H]1C[N@@H+](CCSc2ncc(-c3ccccc3)n2CC(F)(F)F)CCO1 ZINC000840193813 1027332395 /nfs/dbraw/zinc/33/23/95/1027332395.db2.gz QPJKYBDNRYRUAM-CQSZACIVSA-N 1 2 385.455 3.925 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210357159 1027465862 /nfs/dbraw/zinc/46/58/62/1027465862.db2.gz RTWMCQJNXRGGND-INIZCTEOSA-N 1 2 395.728 3.825 20 10 GHCDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000841297092 1028387594 /nfs/dbraw/zinc/38/75/94/1028387594.db2.gz NDBDJIVMCBBPQA-WMZOPIPTSA-N 1 2 378.398 3.643 20 10 GHCDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000841297092 1028387616 /nfs/dbraw/zinc/38/76/16/1028387616.db2.gz NDBDJIVMCBBPQA-WMZOPIPTSA-N 1 2 378.398 3.643 20 10 GHCDLO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC001142218440 1028396612 /nfs/dbraw/zinc/39/66/12/1028396612.db2.gz YDFRBSMRVDALJB-JNVQNEIGSA-N 1 2 392.488 3.725 20 10 GHCDLO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C[N@H+]1CCc2sccc2C1 ZINC001142218440 1028396628 /nfs/dbraw/zinc/39/66/28/1028396628.db2.gz YDFRBSMRVDALJB-JNVQNEIGSA-N 1 2 392.488 3.725 20 10 GHCDLO Oc1ccc(-c2nc(-c3ccc(F)cc3Cl)no2)cc1C[NH+]1CCOCC1 ZINC001217054970 1030127614 /nfs/dbraw/zinc/12/76/14/1030127614.db2.gz MYLOBWBGRMUVAZ-UHFFFAOYSA-N 1 2 389.814 3.734 20 10 GHCDLO CC(C)Oc1ccccc1-c1noc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC001217056619 1030128322 /nfs/dbraw/zinc/12/83/22/1030128322.db2.gz MQTQTXSWQGLJJY-UHFFFAOYSA-N 1 2 395.459 3.729 20 10 GHCDLO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881607 1030526228 /nfs/dbraw/zinc/52/62/28/1030526228.db2.gz YVAAIHUCOYRUMJ-XIKOKIGWSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881607 1030526237 /nfs/dbraw/zinc/52/62/37/1030526237.db2.gz YVAAIHUCOYRUMJ-XIKOKIGWSA-N 1 2 399.304 3.517 20 10 GHCDLO CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944722 1030864018 /nfs/dbraw/zinc/86/40/18/1030864018.db2.gz WXYFNEOHPMHFMQ-GOSISDBHSA-N 1 2 399.304 3.518 20 10 GHCDLO CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944722 1030864038 /nfs/dbraw/zinc/86/40/38/1030864038.db2.gz WXYFNEOHPMHFMQ-GOSISDBHSA-N 1 2 399.304 3.518 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967941 1030981934 /nfs/dbraw/zinc/98/19/34/1030981934.db2.gz VYAJDNAMRDZKQK-HXUWFJFHSA-N 1 2 380.891 3.942 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CCC[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967941 1030981945 /nfs/dbraw/zinc/98/19/45/1030981945.db2.gz VYAJDNAMRDZKQK-HXUWFJFHSA-N 1 2 380.891 3.942 20 10 GHCDLO CCn1c(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)nc2ccccc21 ZINC001205320861 1033358148 /nfs/dbraw/zinc/35/81/48/1033358148.db2.gz ULZRUGDTAWMMDU-UHFFFAOYSA-N 1 2 394.450 3.763 20 10 GHCDLO CC(C)=CCN1CCC2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)C1=O ZINC001277387416 1033482269 /nfs/dbraw/zinc/48/22/69/1033482269.db2.gz IPZUESUDMXSQIS-UHFFFAOYSA-N 1 2 380.891 3.965 20 10 GHCDLO CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001231910752 1034985699 /nfs/dbraw/zinc/98/56/99/1034985699.db2.gz RVIYRTBNEPDPDP-HXUWFJFHSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001231910752 1034985701 /nfs/dbraw/zinc/98/57/01/1034985701.db2.gz RVIYRTBNEPDPDP-HXUWFJFHSA-N 1 2 396.915 3.648 20 10 GHCDLO Cc1cc(F)ncc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001231986354 1035025326 /nfs/dbraw/zinc/02/53/26/1035025326.db2.gz KMPQQNBGGHCIQX-UHFFFAOYSA-N 1 2 392.478 3.825 20 10 GHCDLO COc1ccc(C[N@@H+]2CCc3ccccc3C2)c(O)c1I ZINC001248476664 1035903798 /nfs/dbraw/zinc/90/37/98/1035903798.db2.gz LXSKUNIXVNLZDZ-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO COc1ccc(C[N@H+]2CCc3ccccc3C2)c(O)c1I ZINC001248476664 1035903799 /nfs/dbraw/zinc/90/37/99/1035903799.db2.gz LXSKUNIXVNLZDZ-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(Br)cc(F)c1O)C(C)C ZINC001462131126 1070021778 /nfs/dbraw/zinc/02/17/78/1070021778.db2.gz XJBVAVLPYQAKQL-MRXNPFEDSA-N 1 2 376.266 3.751 20 10 GHCDLO OC[C@H]1CCC(F)(F)C[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233193987 1038960311 /nfs/dbraw/zinc/96/03/11/1038960311.db2.gz JGROTUIYNGRFON-CYBMUJFWSA-N 1 2 386.236 3.900 20 10 GHCDLO OC[C@H]1CCC(F)(F)C[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233193987 1038960314 /nfs/dbraw/zinc/96/03/14/1038960314.db2.gz JGROTUIYNGRFON-CYBMUJFWSA-N 1 2 386.236 3.900 20 10 GHCDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829713 1039808842 /nfs/dbraw/zinc/80/88/42/1039808842.db2.gz ITGXGDLCAZPHFF-HXPMCKFVSA-N 1 2 399.318 3.634 20 10 GHCDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829713 1039808857 /nfs/dbraw/zinc/80/88/57/1039808857.db2.gz ITGXGDLCAZPHFF-HXPMCKFVSA-N 1 2 399.318 3.634 20 10 GHCDLO CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833331 1039870749 /nfs/dbraw/zinc/87/07/49/1039870749.db2.gz HYWYJCYEMPBWDS-VLIAUNLRSA-N 1 2 380.916 3.810 20 10 GHCDLO CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833331 1039870769 /nfs/dbraw/zinc/87/07/69/1039870769.db2.gz HYWYJCYEMPBWDS-VLIAUNLRSA-N 1 2 380.916 3.810 20 10 GHCDLO CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001277835833 1039900707 /nfs/dbraw/zinc/90/07/07/1039900707.db2.gz ZSDNUYUJTRTHHW-OAHLLOKOSA-N 1 2 380.916 3.573 20 10 GHCDLO CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235066819 1040558382 /nfs/dbraw/zinc/55/83/82/1040558382.db2.gz OCTLWZGMQQEHLA-UHFFFAOYSA-N 1 2 387.293 3.515 20 10 GHCDLO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1C ZINC001235074483 1040563502 /nfs/dbraw/zinc/56/35/02/1040563502.db2.gz IJQXCELVXCDZFP-NEPJUHHUSA-N 1 2 388.277 3.705 20 10 GHCDLO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1C ZINC001235074483 1040563520 /nfs/dbraw/zinc/56/35/20/1040563520.db2.gz IJQXCELVXCDZFP-NEPJUHHUSA-N 1 2 388.277 3.705 20 10 GHCDLO C[C@H](C[N@H+](C)Cc1cc(Br)cc(F)c1O)NC(=O)OC(C)(C)C ZINC001462479618 1070289880 /nfs/dbraw/zinc/28/98/80/1070289880.db2.gz HPLUBKBIZXZNDW-SNVBAGLBSA-N 1 2 391.281 3.639 20 10 GHCDLO C[C@H](C[N@@H+](C)Cc1cc(Br)cc(F)c1O)NC(=O)OC(C)(C)C ZINC001462479618 1070289888 /nfs/dbraw/zinc/28/98/88/1070289888.db2.gz HPLUBKBIZXZNDW-SNVBAGLBSA-N 1 2 391.281 3.639 20 10 GHCDLO CCN(Cc1cc(Br)cc(C(F)(F)F)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236011331 1041505209 /nfs/dbraw/zinc/50/52/09/1041505209.db2.gz WYKRIWRSJQPZJC-GFCCVEGCSA-N 1 2 381.236 3.747 20 10 GHCDLO COc1cc(O)c(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236795696 1041900772 /nfs/dbraw/zinc/90/07/72/1041900772.db2.gz NOSPPSNNFPJHPI-UHFFFAOYSA-N 1 2 382.888 3.640 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)c(Cl)c1 ZINC001236798441 1041902402 /nfs/dbraw/zinc/90/24/02/1041902402.db2.gz UJJJXDVETFGENG-UHFFFAOYSA-N 1 2 391.899 3.583 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)c(Cl)c1 ZINC001236798441 1041902408 /nfs/dbraw/zinc/90/24/08/1041902408.db2.gz UJJJXDVETFGENG-UHFFFAOYSA-N 1 2 391.899 3.583 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C2)c(O)c1Cl ZINC001236808348 1041908847 /nfs/dbraw/zinc/90/88/47/1041908847.db2.gz XIWQJSVRQMGTGD-GXTWGEPZSA-N 1 2 384.904 3.789 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C2)c(O)c1Cl ZINC001236808348 1041908850 /nfs/dbraw/zinc/90/88/50/1041908850.db2.gz XIWQJSVRQMGTGD-GXTWGEPZSA-N 1 2 384.904 3.789 20 10 GHCDLO COc1ccc(C[NH+]2CCC(N3Cc4ccccc4C3=O)CC2)c(O)c1Cl ZINC001236809281 1041909377 /nfs/dbraw/zinc/90/93/77/1041909377.db2.gz KRUNBOWMPYNURZ-UHFFFAOYSA-N 1 2 386.879 3.675 20 10 GHCDLO COc1cccc(OC2CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)n1 ZINC001236810241 1041910293 /nfs/dbraw/zinc/91/02/93/1041910293.db2.gz QBBPPHUKCRCTJC-UHFFFAOYSA-N 1 2 378.856 3.501 20 10 GHCDLO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001237059455 1042015539 /nfs/dbraw/zinc/01/55/39/1042015539.db2.gz NZJPWDBXLPXRDT-SFHVURJKSA-N 1 2 397.393 3.613 20 10 GHCDLO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001237059455 1042015541 /nfs/dbraw/zinc/01/55/41/1042015541.db2.gz NZJPWDBXLPXRDT-SFHVURJKSA-N 1 2 397.393 3.613 20 10 GHCDLO Cc1cncc(COCc2cnc3n2CC[N@@H+](Cc2c(C)cccc2O)[C@H]3C)c1 ZINC001237488547 1042231289 /nfs/dbraw/zinc/23/12/89/1042231289.db2.gz NFECVMPREYSUHG-SFHVURJKSA-N 1 2 392.503 3.894 20 10 GHCDLO Cc1cncc(COCc2cnc3n2CC[N@H+](Cc2c(C)cccc2O)[C@H]3C)c1 ZINC001237488547 1042231296 /nfs/dbraw/zinc/23/12/96/1042231296.db2.gz NFECVMPREYSUHG-SFHVURJKSA-N 1 2 392.503 3.894 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc4ncnc(Cl)c4c3)CC2)c(OC)c1 ZINC001237589439 1042275341 /nfs/dbraw/zinc/27/53/41/1042275341.db2.gz UXLRXQWDSSTJHQ-UHFFFAOYSA-N 1 2 398.894 3.623 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237618992 1042286226 /nfs/dbraw/zinc/28/62/26/1042286226.db2.gz LQIKLKSJLBWAIH-WBMJQRKESA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237618992 1042286230 /nfs/dbraw/zinc/28/62/30/1042286230.db2.gz LQIKLKSJLBWAIH-WBMJQRKESA-N 1 2 381.904 3.738 20 10 GHCDLO O=C(c1ccco1)N1CCC2(C1)CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237620371 1042287353 /nfs/dbraw/zinc/28/73/53/1042287353.db2.gz XTDZWSFXGNEVEA-UHFFFAOYSA-N 1 2 392.858 3.906 20 10 GHCDLO CCOC(=O)c1nc2c(o1)CC[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001237648039 1042303546 /nfs/dbraw/zinc/30/35/46/1042303546.db2.gz WWTVVBXJFAFNMF-UHFFFAOYSA-N 1 2 396.418 3.921 20 10 GHCDLO CCOC(=O)c1nc2c(o1)CC[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001237648039 1042303553 /nfs/dbraw/zinc/30/35/53/1042303553.db2.gz WWTVVBXJFAFNMF-UHFFFAOYSA-N 1 2 396.418 3.921 20 10 GHCDLO Oc1c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237783468 1042367569 /nfs/dbraw/zinc/36/75/69/1042367569.db2.gz IMBMWROFIMEYKO-KOLCDFICSA-N 1 2 380.204 3.642 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237783468 1042367572 /nfs/dbraw/zinc/36/75/72/1042367572.db2.gz IMBMWROFIMEYKO-KOLCDFICSA-N 1 2 380.204 3.642 20 10 GHCDLO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237792097 1042372631 /nfs/dbraw/zinc/37/26/31/1042372631.db2.gz OLTKUITZCLZXIV-LBPRGKRZSA-N 1 2 382.220 3.909 20 10 GHCDLO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237792097 1042372635 /nfs/dbraw/zinc/37/26/35/1042372635.db2.gz OLTKUITZCLZXIV-LBPRGKRZSA-N 1 2 382.220 3.909 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001237938153 1042428979 /nfs/dbraw/zinc/42/89/79/1042428979.db2.gz UQZKIZAQGFWGSS-UHFFFAOYSA-N 1 2 398.869 3.997 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001237938153 1042428982 /nfs/dbraw/zinc/42/89/82/1042428982.db2.gz UQZKIZAQGFWGSS-UHFFFAOYSA-N 1 2 398.869 3.997 20 10 GHCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001295595644 1045063857 /nfs/dbraw/zinc/06/38/57/1045063857.db2.gz VHKOLXWMXBAIDA-HKUYNNGSSA-N 1 2 375.472 3.941 20 10 GHCDLO CC[C@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001302263871 1046891162 /nfs/dbraw/zinc/89/11/62/1046891162.db2.gz YPMUDXGXYIBYIG-DHIUTWEWSA-N 1 2 397.563 3.908 20 10 GHCDLO CC[C@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)[N@H+]1CCO[C@H](CC)C1 ZINC001302263871 1046891178 /nfs/dbraw/zinc/89/11/78/1046891178.db2.gz YPMUDXGXYIBYIG-DHIUTWEWSA-N 1 2 397.563 3.908 20 10 GHCDLO CC(C)NC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001279442640 1047809281 /nfs/dbraw/zinc/80/92/81/1047809281.db2.gz QXILUZDZFJMFIC-HXUWFJFHSA-N 1 2 379.932 3.842 20 10 GHCDLO CC(C)NC(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001279442640 1047809290 /nfs/dbraw/zinc/80/92/90/1047809290.db2.gz QXILUZDZFJMFIC-HXUWFJFHSA-N 1 2 379.932 3.842 20 10 GHCDLO COc1ccc(CN2CC[C@H]3C[N@H+](Cc4scnc4C)C[C@H]32)c(O)c1Cl ZINC001279665965 1047905665 /nfs/dbraw/zinc/90/56/65/1047905665.db2.gz VQQSVHQIACFDCR-DZGCQCFKSA-N 1 2 393.940 3.525 20 10 GHCDLO COc1ccc(CN2CC[C@H]3C[N@@H+](Cc4scnc4C)C[C@H]32)c(O)c1Cl ZINC001279665965 1047905668 /nfs/dbraw/zinc/90/56/68/1047905668.db2.gz VQQSVHQIACFDCR-DZGCQCFKSA-N 1 2 393.940 3.525 20 10 GHCDLO COc1ccc([C@H](CN(C)C)[NH2+]Cc2c(O)cccc2Br)cc1 ZINC001328920499 1050675219 /nfs/dbraw/zinc/67/52/19/1050675219.db2.gz FTNSQYDTRXCWNS-KRWDZBQOSA-N 1 2 379.298 3.556 20 10 GHCDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)cc1F ZINC001324725630 1057212732 /nfs/dbraw/zinc/21/27/32/1057212732.db2.gz XIPVGNXMZKZHGM-UHFFFAOYSA-N 1 2 381.495 3.692 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001440715652 1058598523 /nfs/dbraw/zinc/59/85/23/1058598523.db2.gz PIRFAXGOXCXKPX-HSZRJFAPSA-N 1 2 393.531 3.528 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001440715652 1058598543 /nfs/dbraw/zinc/59/85/43/1058598543.db2.gz PIRFAXGOXCXKPX-HSZRJFAPSA-N 1 2 393.531 3.528 20 10 GHCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001455941672 1062362416 /nfs/dbraw/zinc/36/24/16/1062362416.db2.gz ICKDYCYQOMTDCK-SFHVURJKSA-N 1 2 389.927 3.588 20 10 GHCDLO COc1cc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)c(O)c(C(C)(C)C)c1 ZINC000849345386 1067813420 /nfs/dbraw/zinc/81/34/20/1067813420.db2.gz IOKNICBRKADLDN-UHFFFAOYSA-N 1 2 399.535 3.914 20 10 GHCDLO CCN(C)c1ccc(C[NH+]2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC001460720467 1069121522 /nfs/dbraw/zinc/12/15/22/1069121522.db2.gz IXKNDPNDVDJRFA-UHFFFAOYSA-N 1 2 386.561 3.889 20 10 GHCDLO O=C(C[N@H+]1CCC[C@@H](OCCO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255912639 837287064 /nfs/dbraw/zinc/28/70/64/837287064.db2.gz YREKFFACMOWOKR-HXUWFJFHSA-N 1 2 382.464 3.514 20 10 GHCDLO O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255912639 837287073 /nfs/dbraw/zinc/28/70/73/837287073.db2.gz YREKFFACMOWOKR-HXUWFJFHSA-N 1 2 382.464 3.514 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1O ZINC000177269745 837900576 /nfs/dbraw/zinc/90/05/76/837900576.db2.gz UYVJEZXGKZQMGD-UHFFFAOYSA-N 1 2 392.927 3.909 20 10 GHCDLO CCOCC[NH+](CCOCC)Cc1cc(Cl)cc(Br)c1O ZINC001141373038 843272939 /nfs/dbraw/zinc/27/29/39/843272939.db2.gz KFTHGVNOIUZVLL-UHFFFAOYSA-N 1 2 380.710 3.683 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000731121162 861466819 /nfs/dbraw/zinc/46/68/19/861466819.db2.gz PCGPPZFNALSUDH-NRFANRHFSA-N 1 2 381.524 3.666 20 10 GHCDLO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000588489753 845682089 /nfs/dbraw/zinc/68/20/89/845682089.db2.gz RBSASQXENBUSKB-QLCCLCOCSA-N 1 2 393.119 3.895 20 10 GHCDLO CC(C)(CO)[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1cccnc1 ZINC000894857698 853226607 /nfs/dbraw/zinc/22/66/07/853226607.db2.gz PXKGDTSLLBQJAH-MRXNPFEDSA-N 1 2 383.261 3.538 20 10 GHCDLO COc1ccc(OCc2nc(C[NH2+]Cc3ccc4c(c3)CCO4)cs2)cc1 ZINC000733327312 862869759 /nfs/dbraw/zinc/86/97/59/862869759.db2.gz PWGNXGAXGWOJFI-UHFFFAOYSA-N 1 2 382.485 3.955 20 10 GHCDLO C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1O ZINC000281177413 862873214 /nfs/dbraw/zinc/87/32/14/862873214.db2.gz QIKAGCRCKROSRL-ZANVPECISA-N 1 2 377.309 3.953 20 10 GHCDLO O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816094 857790603 /nfs/dbraw/zinc/79/06/03/857790603.db2.gz QDCIHSWANXJNPB-BPLPYTOXSA-N 1 2 381.476 3.556 20 10 GHCDLO O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816094 857790608 /nfs/dbraw/zinc/79/06/08/857790608.db2.gz QDCIHSWANXJNPB-BPLPYTOXSA-N 1 2 381.476 3.556 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000727238015 860008003 /nfs/dbraw/zinc/00/80/03/860008003.db2.gz RUVAXNMOVMUXGO-UHFFFAOYSA-N 1 2 395.547 3.694 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000172200534 863345334 /nfs/dbraw/zinc/34/53/34/863345334.db2.gz UJQMCVWTVBKXNA-IBGZPJMESA-N 1 2 395.551 3.516 20 10 GHCDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)CC2)cc1 ZINC000303195150 866115385 /nfs/dbraw/zinc/11/53/85/866115385.db2.gz ZZLFXBVWFSSYTP-UHFFFAOYSA-N 1 2 396.531 3.591 20 10 GHCDLO O=C(c1cc2occc2s1)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000741248396 866339506 /nfs/dbraw/zinc/33/95/06/866339506.db2.gz ZBUWYSZPYUCGMZ-UHFFFAOYSA-N 1 2 382.485 3.647 20 10 GHCDLO CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000743169731 867913634 /nfs/dbraw/zinc/91/36/34/867913634.db2.gz JIQQBRRWPHXNRE-UHFFFAOYSA-N 1 2 389.253 3.856 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCCOCC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000746385936 870590670 /nfs/dbraw/zinc/59/06/70/870590670.db2.gz IDODKYJLNNTWAR-UHFFFAOYSA-N 1 2 378.419 3.601 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCCOCC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000746385936 870590688 /nfs/dbraw/zinc/59/06/88/870590688.db2.gz IDODKYJLNNTWAR-UHFFFAOYSA-N 1 2 378.419 3.601 20 10 GHCDLO C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000857874822 882603413 /nfs/dbraw/zinc/60/34/13/882603413.db2.gz RVIVKZFIVPXGJO-VFNWGFHPSA-N 1 2 399.922 3.541 20 10 GHCDLO CCCN(CCC)c1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000768536388 873369241 /nfs/dbraw/zinc/36/92/41/873369241.db2.gz IXBKILCEGABJHA-UHFFFAOYSA-N 1 2 380.536 3.666 20 10 GHCDLO COC(=O)C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000769501391 874108866 /nfs/dbraw/zinc/10/88/66/874108866.db2.gz HLBMABVGPYRDJR-UHFFFAOYSA-N 1 2 375.469 3.503 20 10 GHCDLO COC(=O)C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000769501391 874108870 /nfs/dbraw/zinc/10/88/70/874108870.db2.gz HLBMABVGPYRDJR-UHFFFAOYSA-N 1 2 375.469 3.503 20 10 GHCDLO CC[N@H+](Cc1cc(Br)ccc1O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000769539050 874142435 /nfs/dbraw/zinc/14/24/35/874142435.db2.gz IPPWRMPPCSSLMQ-UHFFFAOYSA-N 1 2 381.226 3.791 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)ccc1O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000769539050 874142439 /nfs/dbraw/zinc/14/24/39/874142439.db2.gz IPPWRMPPCSSLMQ-UHFFFAOYSA-N 1 2 381.226 3.791 20 10 GHCDLO COc1cc2c(cc1C[NH2+]Cc1cc(Br)cc(F)c1O)O[C@H](C)C2 ZINC001199144665 874821127 /nfs/dbraw/zinc/82/11/27/874821127.db2.gz UTHATWHRRIMXPC-SNVBAGLBSA-N 1 2 396.256 3.916 20 10 GHCDLO Cc1cc(C[NH2+]Cc2cc(Br)cc(Br)c2O)no1 ZINC000776056787 875284119 /nfs/dbraw/zinc/28/41/19/875284119.db2.gz SIBGQFGXVIVQCZ-UHFFFAOYSA-N 1 2 376.048 3.503 20 10 GHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000776150841 875599312 /nfs/dbraw/zinc/59/93/12/875599312.db2.gz AGZUXGKZDRPTOK-SFHVURJKSA-N 1 2 381.303 3.862 20 10 GHCDLO O=C1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCCN1c1ccc(OC(F)F)cc1 ZINC000776174517 875691577 /nfs/dbraw/zinc/69/15/77/875691577.db2.gz CWJNLWBTVRXTPT-MRXNPFEDSA-N 1 2 396.821 3.932 20 10 GHCDLO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776218865 875891243 /nfs/dbraw/zinc/89/12/43/875891243.db2.gz LQXPIWNQRGBVLL-BXKDBHETSA-N 1 2 395.135 3.804 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000858320722 883021394 /nfs/dbraw/zinc/02/13/94/883021394.db2.gz GZJRFYGAVKLALM-PKOBYXMFSA-N 1 2 391.874 3.738 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000858320722 883021415 /nfs/dbraw/zinc/02/14/15/883021415.db2.gz GZJRFYGAVKLALM-PKOBYXMFSA-N 1 2 391.874 3.738 20 10 GHCDLO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000786584515 876772398 /nfs/dbraw/zinc/77/23/98/876772398.db2.gz UGGTXPUTRQTCHU-WFASDCNBSA-N 1 2 382.273 3.856 20 10 GHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)N1CCc2sccc2C1 ZINC000109761333 877425015 /nfs/dbraw/zinc/42/50/15/877425015.db2.gz AAMBINRGWQUTIV-UHFFFAOYSA-N 1 2 382.485 3.634 20 10 GHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)N1CCc2sccc2C1 ZINC000109761333 877425021 /nfs/dbraw/zinc/42/50/21/877425021.db2.gz AAMBINRGWQUTIV-UHFFFAOYSA-N 1 2 382.485 3.634 20 10 GHCDLO COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1O)[C@@H]1CCCO1 ZINC000788618301 878213538 /nfs/dbraw/zinc/21/35/38/878213538.db2.gz ADQZDMZMVLKLNS-IIMNLJJBSA-N 1 2 378.694 3.653 20 10 GHCDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(Br)c1O ZINC000179940905 878228323 /nfs/dbraw/zinc/22/83/23/878228323.db2.gz SFBPLPYVCLZEGP-LBPRGKRZSA-N 1 2 398.322 3.751 20 10 GHCDLO Cc1nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c(C)[nH+]1 ZINC000853232385 878914522 /nfs/dbraw/zinc/91/45/22/878914522.db2.gz BIHMHCFXIIUYNJ-LBPRGKRZSA-N 1 2 391.313 3.866 20 10 GHCDLO C[C@H]([NH2+]CCOCCF)c1cc(Br)cc(Br)c1O ZINC000853238848 878917754 /nfs/dbraw/zinc/91/77/54/878917754.db2.gz SQTRUQZQXGOZFX-QMMMGPOBSA-N 1 2 385.071 3.554 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2Cc3ccc(C)c(Br)c3C2)cc1OC ZINC000853608474 879162493 /nfs/dbraw/zinc/16/24/93/879162493.db2.gz URMJFMDLGBBDPW-UHFFFAOYSA-N 1 2 378.266 3.996 20 10 GHCDLO COc1cc(O)c(C[N@H+]2Cc3ccc(C)c(Br)c3C2)cc1OC ZINC000853608474 879162496 /nfs/dbraw/zinc/16/24/96/879162496.db2.gz URMJFMDLGBBDPW-UHFFFAOYSA-N 1 2 378.266 3.996 20 10 GHCDLO CC[NH+](CC)CCN(C)Cc1cc(Br)cc(Br)c1O ZINC001203562987 912425709 /nfs/dbraw/zinc/42/57/09/912425709.db2.gz SNDDGYJZXQKKTL-UHFFFAOYSA-N 1 2 394.151 3.691 20 10 GHCDLO CN1CCO[C@H]([C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccc(Cl)cc2)C1 ZINC000790982156 880140659 /nfs/dbraw/zinc/14/06/59/880140659.db2.gz RBMNYKOKFMINCF-PKOBYXMFSA-N 1 2 399.293 4.000 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000859945823 884195307 /nfs/dbraw/zinc/19/53/07/884195307.db2.gz TUAUDZCOZMDIRF-UHFFFAOYSA-N 1 2 390.487 3.578 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000859945823 884195313 /nfs/dbraw/zinc/19/53/13/884195313.db2.gz TUAUDZCOZMDIRF-UHFFFAOYSA-N 1 2 390.487 3.578 20 10 GHCDLO CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(Cl)c1O ZINC000806134586 884356006 /nfs/dbraw/zinc/35/60/06/884356006.db2.gz LQDMHLCEWYUTLE-IBGZPJMESA-N 1 2 388.895 3.759 20 10 GHCDLO CC[C@H]([NH2+][C@H](C)CN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1O ZINC000806140307 884399534 /nfs/dbraw/zinc/39/95/34/884399534.db2.gz JFIUAPBWXDFWHU-APWZRJJASA-N 1 2 388.943 3.692 20 10 GHCDLO COc1ccc2c(c1)CCCC[N@H+]2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC001168245259 886595291 /nfs/dbraw/zinc/59/52/91/886595291.db2.gz ZUYVPHYONMQBLD-UHFFFAOYSA-N 1 2 397.431 3.744 20 10 GHCDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC001168245259 886595306 /nfs/dbraw/zinc/59/53/06/886595306.db2.gz ZUYVPHYONMQBLD-UHFFFAOYSA-N 1 2 397.431 3.744 20 10 GHCDLO C[N@H+](Cc1cscc1Br)Cc1ccc(N2CCOCC2)cc1 ZINC000809541657 887532735 /nfs/dbraw/zinc/53/27/35/887532735.db2.gz XAWXUYCTWRMUJD-UHFFFAOYSA-N 1 2 381.339 3.979 20 10 GHCDLO C[N@@H+](Cc1cscc1Br)Cc1ccc(N2CCOCC2)cc1 ZINC000809541657 887532746 /nfs/dbraw/zinc/53/27/46/887532746.db2.gz XAWXUYCTWRMUJD-UHFFFAOYSA-N 1 2 381.339 3.979 20 10 GHCDLO OCCC1([NH2+]Cc2cc(Br)cc(Br)c2O)CCCC1 ZINC000809692329 887668222 /nfs/dbraw/zinc/66/82/22/887668222.db2.gz TYKHCOJIVJKCOZ-UHFFFAOYSA-N 1 2 393.119 3.702 20 10 GHCDLO C[C@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)NC(=O)OC(C)(C)C ZINC000794825351 888241581 /nfs/dbraw/zinc/24/15/81/888241581.db2.gz MWPATMACLGLZPO-ZJUUUORDSA-N 1 2 391.281 3.858 20 10 GHCDLO COc1c(O)c(C[N@H+](Cc2ccco2)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000774815960 913623592 /nfs/dbraw/zinc/62/35/92/913623592.db2.gz WCTBEYXHFIMJAP-UHFFFAOYSA-N 1 2 384.388 3.810 20 10 GHCDLO COc1c(O)c(C[N@@H+](Cc2ccco2)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000774815960 913623610 /nfs/dbraw/zinc/62/36/10/913623610.db2.gz WCTBEYXHFIMJAP-UHFFFAOYSA-N 1 2 384.388 3.810 20 10 GHCDLO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001137081569 892281583 /nfs/dbraw/zinc/28/15/83/892281583.db2.gz HDAQTEBGVIBBNG-AWEZNQCLSA-N 1 2 386.402 3.563 20 10 GHCDLO COc1cccc(O)c1C[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000814175574 892331744 /nfs/dbraw/zinc/33/17/44/892331744.db2.gz WLYXRMDYQFCKGQ-UHFFFAOYSA-N 1 2 390.483 3.738 20 10 GHCDLO COc1cccc(O)c1C[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000814175574 892331761 /nfs/dbraw/zinc/33/17/61/892331761.db2.gz WLYXRMDYQFCKGQ-UHFFFAOYSA-N 1 2 390.483 3.738 20 10 GHCDLO Oc1ccc(F)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1F ZINC000816550352 894918413 /nfs/dbraw/zinc/91/84/13/894918413.db2.gz OPLCAFWIQNXIEE-CQSZACIVSA-N 1 2 382.838 3.784 20 10 GHCDLO Oc1ccc(F)c(CN[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1F ZINC000816550352 894918425 /nfs/dbraw/zinc/91/84/25/894918425.db2.gz OPLCAFWIQNXIEE-CQSZACIVSA-N 1 2 382.838 3.784 20 10 GHCDLO Oc1ccc(F)c(CN[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1F ZINC000816550352 894918430 /nfs/dbraw/zinc/91/84/30/894918430.db2.gz OPLCAFWIQNXIEE-CQSZACIVSA-N 1 2 382.838 3.784 20 10 GHCDLO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+][C@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000289148590 914057697 /nfs/dbraw/zinc/05/76/97/914057697.db2.gz GDNSZXFDXLJNGF-APWZRJJASA-N 1 2 399.445 3.754 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)cc1 ZINC001136300543 897142237 /nfs/dbraw/zinc/14/22/37/897142237.db2.gz VDVSQUSZWJKGKU-UHFFFAOYSA-N 1 2 391.519 3.771 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc([S@](C)=O)cc1 ZINC000883076166 897257241 /nfs/dbraw/zinc/25/72/41/897257241.db2.gz WDKLORPJNNAGFP-STFLBKPXSA-N 1 2 386.286 3.882 20 10 GHCDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000822497379 898429487 /nfs/dbraw/zinc/42/94/87/898429487.db2.gz BCOLUYOXZPHZLJ-SNVBAGLBSA-N 1 2 387.427 3.865 20 10 GHCDLO Oc1cc(Br)ccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000825003471 899913991 /nfs/dbraw/zinc/91/39/91/899913991.db2.gz VAVAUVALQCZAHQ-UHFFFAOYSA-N 1 2 377.282 3.599 20 10 GHCDLO CCc1nc(C[NH2+]Cc2cc(Br)cc(Br)c2O)co1 ZINC000825058467 899957504 /nfs/dbraw/zinc/95/75/04/899957504.db2.gz ZKIIBFVDTXVRTR-UHFFFAOYSA-N 1 2 390.075 3.757 20 10 GHCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](CC)c2cc(Br)ccc2O)no1 ZINC000290155762 914550405 /nfs/dbraw/zinc/55/04/05/914550405.db2.gz LOUXWODSFFQYAA-ZWNOBZJWSA-N 1 2 384.274 3.876 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2O)C[C@H](C)O1 ZINC000047570136 902156806 /nfs/dbraw/zinc/15/68/06/902156806.db2.gz JIQBEEFTKZQEMC-CALCHBBNSA-N 1 2 383.492 3.665 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2O)C[C@H](C)O1 ZINC000047570136 902156811 /nfs/dbraw/zinc/15/68/11/902156811.db2.gz JIQBEEFTKZQEMC-CALCHBBNSA-N 1 2 383.492 3.665 20 10 GHCDLO COc1cc(OC)cc([C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)c2nccn2C)c1 ZINC000128905111 902732415 /nfs/dbraw/zinc/73/24/15/902732415.db2.gz VZKHNEZNZZLAOL-AOMKIAJQSA-N 1 2 394.519 3.944 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000779144756 904628028 /nfs/dbraw/zinc/62/80/28/904628028.db2.gz OIYZAZCSFPPVSX-PKTZIBPZSA-N 1 2 396.531 3.866 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000779144756 904628034 /nfs/dbraw/zinc/62/80/34/904628034.db2.gz OIYZAZCSFPPVSX-PKTZIBPZSA-N 1 2 396.531 3.866 20 10 GHCDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc(F)cc(C(C)=O)c3O)n2)c1 ZINC000185125658 907717285 /nfs/dbraw/zinc/71/72/85/907717285.db2.gz DIJQANHWXDIMDE-LLVKDONJSA-N 1 2 385.395 3.643 20 10 GHCDLO C[N@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000192529720 907717490 /nfs/dbraw/zinc/71/74/90/907717490.db2.gz RHOSSPBLXRVQFK-UHFFFAOYSA-N 1 2 390.524 3.722 20 10 GHCDLO C[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000192529720 907717499 /nfs/dbraw/zinc/71/74/99/907717499.db2.gz RHOSSPBLXRVQFK-UHFFFAOYSA-N 1 2 390.524 3.722 20 10 GHCDLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000186061419 907873813 /nfs/dbraw/zinc/87/38/13/907873813.db2.gz ITDUCVPUQITFQS-KRWDZBQOSA-N 1 2 392.478 3.970 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC001177081837 908375067 /nfs/dbraw/zinc/37/50/67/908375067.db2.gz RZLIGZJGDDTDDT-OAHLLOKOSA-N 1 2 383.261 3.814 20 10 GHCDLO COc1cc(CC[NH2+]Cc2cc(Br)cc(F)c2O)cc(OC)c1 ZINC001179822061 909773752 /nfs/dbraw/zinc/77/37/52/909773752.db2.gz JWVOCKJBLCVZKU-UHFFFAOYSA-N 1 2 384.245 3.643 20 10 GHCDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001180882478 910414175 /nfs/dbraw/zinc/41/41/75/910414175.db2.gz BKGLMFMXYIHJJE-NRFANRHFSA-N 1 2 375.415 3.811 20 10 GHCDLO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001180882478 910414182 /nfs/dbraw/zinc/41/41/82/910414182.db2.gz BKGLMFMXYIHJJE-NRFANRHFSA-N 1 2 375.415 3.811 20 10 GHCDLO CCOCc1nc([C@@H](C)[NH2+]Cc2ccc(OCc3ccccc3)cc2O)no1 ZINC000291582162 915260942 /nfs/dbraw/zinc/26/09/42/915260942.db2.gz PADJHMRRWFENIY-OAHLLOKOSA-N 1 2 383.448 3.742 20 10 GHCDLO Cc1cc(C)cc(-n2ncc(C[NH2+]Cc3cccc(Br)c3O)n2)c1 ZINC000775147540 915557297 /nfs/dbraw/zinc/55/72/97/915557297.db2.gz VLEHDFNLFLXOMN-UHFFFAOYSA-N 1 2 387.281 3.642 20 10 GHCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000389853321 926389329 /nfs/dbraw/zinc/38/93/29/926389329.db2.gz XWNFWMJOOFRNHB-DOMZBBRYSA-N 1 2 399.329 3.890 20 10 GHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2Cl)C1 ZINC000374371121 927065087 /nfs/dbraw/zinc/06/50/87/927065087.db2.gz IAWMNKLFRJJKER-WBVHZDCISA-N 1 2 386.927 3.652 20 10 GHCDLO O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000751308033 928122831 /nfs/dbraw/zinc/12/28/31/928122831.db2.gz QRHGOYQFFJKKHN-UHFFFAOYSA-N 1 2 394.438 3.893 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(Br)cc(F)c1O ZINC000757661376 929762728 /nfs/dbraw/zinc/76/27/28/929762728.db2.gz BKYKJFWHFNBODB-IUODEOHRSA-N 1 2 382.273 3.938 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000781626156 930913281 /nfs/dbraw/zinc/91/32/81/930913281.db2.gz FMDMOXWCKPCNHF-LBPRGKRZSA-N 1 2 379.302 3.632 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000781901056 931018173 /nfs/dbraw/zinc/01/81/73/931018173.db2.gz LIZOAFALYFHFFC-KRWDZBQOSA-N 1 2 389.293 3.526 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000781901056 931018178 /nfs/dbraw/zinc/01/81/78/931018178.db2.gz LIZOAFALYFHFFC-KRWDZBQOSA-N 1 2 389.293 3.526 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000783706771 931624377 /nfs/dbraw/zinc/62/43/77/931624377.db2.gz ZLRUVZADGDZGTE-LLVKDONJSA-N 1 2 377.076 3.700 20 10 GHCDLO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCc3[nH]ncc32)NC(=O)OC(C)(C)C)cc1 ZINC000796897375 932102469 /nfs/dbraw/zinc/10/24/69/932102469.db2.gz LRHCJSFYSRPDPW-QUCCMNQESA-N 1 2 399.539 3.709 20 10 GHCDLO C[C@@H](c1cccc(NC(=O)NCc2cccc(Cl)c2O)c1)[NH+]1CCOCC1 ZINC000930228005 933907882 /nfs/dbraw/zinc/90/78/82/933907882.db2.gz KWKYXEONVMRBHU-AWEZNQCLSA-N 1 2 389.883 3.761 20 10 GHCDLO Fc1ccc([C@H]2c3[nH]cnc3CC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000931387518 934535319 /nfs/dbraw/zinc/53/53/19/934535319.db2.gz IPQCGHPWLLNCEF-QHCPKHFHSA-N 1 2 392.478 3.533 20 10 GHCDLO Fc1ccc([C@H]2c3[nH]cnc3CC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000931387518 934535323 /nfs/dbraw/zinc/53/53/23/934535323.db2.gz IPQCGHPWLLNCEF-QHCPKHFHSA-N 1 2 392.478 3.533 20 10 GHCDLO C[N@@H+]1CCC[C@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)CC1 ZINC001227505621 1032445210 /nfs/dbraw/zinc/44/52/10/1032445210.db2.gz PKGDBUAVIVHRAX-HNNXBMFYSA-N 1 2 381.428 3.734 20 10 GHCDLO C[N@H+]1CCC[C@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)CC1 ZINC001227505621 1032445212 /nfs/dbraw/zinc/44/52/12/1032445212.db2.gz PKGDBUAVIVHRAX-HNNXBMFYSA-N 1 2 381.428 3.734 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000801573183 1021413373 /nfs/dbraw/zinc/41/33/73/1021413373.db2.gz CWOPWSJUEVPKJE-FQEVSTJZSA-N 1 2 396.915 3.985 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000801573183 1021413381 /nfs/dbraw/zinc/41/33/81/1021413381.db2.gz CWOPWSJUEVPKJE-FQEVSTJZSA-N 1 2 396.915 3.985 20 10 GHCDLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)n1-c1ccccc1Br ZINC000754355883 1022637492 /nfs/dbraw/zinc/63/74/92/1022637492.db2.gz UFQVYYGZWGBZGJ-UHFFFAOYSA-N 1 2 387.281 3.818 20 10 GHCDLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)nc1C ZINC000755034135 1023034934 /nfs/dbraw/zinc/03/49/34/1023034934.db2.gz LAPJWLRKSWJMKQ-SNVBAGLBSA-N 1 2 380.441 3.526 20 10 GHCDLO OCC[N@H+](Cc1cc(Br)cs1)Cc1cccc(Cl)c1O ZINC000756122647 1023529321 /nfs/dbraw/zinc/52/93/21/1023529321.db2.gz UDMXMDWAQNEAAI-UHFFFAOYSA-N 1 2 376.703 3.864 20 10 GHCDLO OCC[N@@H+](Cc1cc(Br)cs1)Cc1cccc(Cl)c1O ZINC000756122647 1023529327 /nfs/dbraw/zinc/52/93/27/1023529327.db2.gz UDMXMDWAQNEAAI-UHFFFAOYSA-N 1 2 376.703 3.864 20 10 GHCDLO O=c1[nH]c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc2cc(Cl)ccc12 ZINC000756337375 1023595471 /nfs/dbraw/zinc/59/54/71/1023595471.db2.gz WAKNOLLHQFLWQV-MRXNPFEDSA-N 1 2 399.878 3.876 20 10 GHCDLO O=c1[nH]c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc2cc(Cl)ccc12 ZINC000756337375 1023595478 /nfs/dbraw/zinc/59/54/78/1023595478.db2.gz WAKNOLLHQFLWQV-MRXNPFEDSA-N 1 2 399.878 3.876 20 10 GHCDLO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)c(F)cc1O ZINC000756396225 1023627778 /nfs/dbraw/zinc/62/77/78/1023627778.db2.gz IECFHCGWNQUYPX-NSHDSACASA-N 1 2 397.292 3.505 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O)C(=O)NC(C)(C)C ZINC000756490547 1023683293 /nfs/dbraw/zinc/68/32/93/1023683293.db2.gz VXABULMHCPRTDC-DTWKUNHWSA-N 1 2 377.710 3.762 20 10 GHCDLO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)N(C)C)cc1OC ZINC000756664727 1023763061 /nfs/dbraw/zinc/76/30/61/1023763061.db2.gz PGYMNUBEPNTCBD-YVEFUNNKSA-N 1 2 380.435 3.641 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)cc1 ZINC001138565508 1025034527 /nfs/dbraw/zinc/03/45/27/1025034527.db2.gz PJQYIFRZFVTZQE-UHFFFAOYSA-N 1 2 376.504 3.652 20 10 GHCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(O)c1Br ZINC000838787984 1025366805 /nfs/dbraw/zinc/36/68/05/1025366805.db2.gz LRCZLGQTYZGFKR-UHFFFAOYSA-N 1 2 391.309 3.623 20 10 GHCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(O)c1Br ZINC000838787984 1025366815 /nfs/dbraw/zinc/36/68/15/1025366815.db2.gz LRCZLGQTYZGFKR-UHFFFAOYSA-N 1 2 391.309 3.623 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccccc3OC(F)F)CC2)c(OC)c1 ZINC001138912389 1025571690 /nfs/dbraw/zinc/57/16/90/1025571690.db2.gz OFPSWWSDVWXVIF-UHFFFAOYSA-N 1 2 378.419 3.627 20 10 GHCDLO CN(C)c1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)cc1F ZINC001162308124 1025710065 /nfs/dbraw/zinc/71/00/65/1025710065.db2.gz OSPVOWFNZZMALG-UHFFFAOYSA-N 1 2 380.402 3.772 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001139127365 1025939299 /nfs/dbraw/zinc/93/92/99/1025939299.db2.gz UHTRKOZEQLXRLD-UHFFFAOYSA-N 1 2 384.863 3.783 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(CC(=O)OC(C)(C)C)CC1 ZINC001139132027 1025944981 /nfs/dbraw/zinc/94/49/81/1025944981.db2.gz SKFUGDVGJBJHHK-UHFFFAOYSA-N 1 2 387.476 3.751 20 10 GHCDLO Cc1cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001166151331 1026929439 /nfs/dbraw/zinc/92/94/39/1026929439.db2.gz IRNDPVSEBKOWBR-CVEARBPZSA-N 1 2 389.927 3.587 20 10 GHCDLO Cc1cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001166151331 1026929444 /nfs/dbraw/zinc/92/94/44/1026929444.db2.gz IRNDPVSEBKOWBR-CVEARBPZSA-N 1 2 389.927 3.587 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001203634021 1027491766 /nfs/dbraw/zinc/49/17/66/1027491766.db2.gz NNAGANMEEHFCOW-ZYHUDNBSSA-N 1 2 386.183 3.883 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)c(O)c2)[C@@H](Cc2ccccc2)C1 ZINC001203881675 1027677164 /nfs/dbraw/zinc/67/71/64/1027677164.db2.gz SMHCAEPLOFRMQG-IBGZPJMESA-N 1 2 398.503 3.762 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)c(O)c2)[C@@H](Cc2ccccc2)C1 ZINC001203881675 1027677172 /nfs/dbraw/zinc/67/71/72/1027677172.db2.gz SMHCAEPLOFRMQG-IBGZPJMESA-N 1 2 398.503 3.762 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)Cc2nnn(CC3CC3)c21 ZINC001203940007 1027734065 /nfs/dbraw/zinc/73/40/65/1027734065.db2.gz HQOVPPKYPVFRAT-HXUWFJFHSA-N 1 2 397.567 3.670 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)Cc2nnn(CC3CC3)c21 ZINC001203940007 1027734086 /nfs/dbraw/zinc/73/40/86/1027734086.db2.gz HQOVPPKYPVFRAT-HXUWFJFHSA-N 1 2 397.567 3.670 20 10 GHCDLO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000840979093 1028020556 /nfs/dbraw/zinc/02/05/56/1028020556.db2.gz RISVYJQFUJIOGB-ZJUUUORDSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000840979093 1028020568 /nfs/dbraw/zinc/02/05/68/1028020568.db2.gz RISVYJQFUJIOGB-ZJUUUORDSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1Br ZINC001461466691 1069562382 /nfs/dbraw/zinc/56/23/82/1069562382.db2.gz XOXJZVIIYBPNAQ-MRXNPFEDSA-N 1 2 388.664 3.945 20 10 GHCDLO Cc1ccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c(Cl)c1 ZINC001217056809 1030130201 /nfs/dbraw/zinc/13/02/01/1030130201.db2.gz QZOINMVHWJGEAT-UHFFFAOYSA-N 1 2 385.851 3.903 20 10 GHCDLO CN(C)c1[nH+]ccc2cc(NC(=O)NCc3ccc(N4CC=CC4)cc3)ccc21 ZINC001218618298 1031006770 /nfs/dbraw/zinc/00/67/70/1031006770.db2.gz WKRZNGHKGYBRLX-UHFFFAOYSA-N 1 2 387.487 3.999 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)cc(Cl)c2O)N1CCC(F)(F)F ZINC001277511213 1034551007 /nfs/dbraw/zinc/55/10/07/1034551007.db2.gz XRWRLTGXIKZHLG-ZIAGYGMSSA-N 1 2 394.796 3.702 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)cc(Cl)c2O)N1CCC(F)(F)F ZINC001277511213 1034551019 /nfs/dbraw/zinc/55/10/19/1034551019.db2.gz XRWRLTGXIKZHLG-ZIAGYGMSSA-N 1 2 394.796 3.702 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001231910495 1034984080 /nfs/dbraw/zinc/98/40/80/1034984080.db2.gz RBZLQSPCTFCQRS-GHTZIAJQSA-N 1 2 388.895 3.781 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001231910495 1034984086 /nfs/dbraw/zinc/98/40/86/1034984086.db2.gz RBZLQSPCTFCQRS-GHTZIAJQSA-N 1 2 388.895 3.781 20 10 GHCDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC001231911069 1034985571 /nfs/dbraw/zinc/98/55/71/1034985571.db2.gz AHQXXLIDIYTTSE-UNMCSNQZSA-N 1 2 384.907 3.810 20 10 GHCDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC001231911069 1034985577 /nfs/dbraw/zinc/98/55/77/1034985577.db2.gz AHQXXLIDIYTTSE-UNMCSNQZSA-N 1 2 384.907 3.810 20 10 GHCDLO CS(=O)(=O)c1ccc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC001231913551 1034987849 /nfs/dbraw/zinc/98/78/49/1034987849.db2.gz MHXHNGWRYOPNNY-UHFFFAOYSA-N 1 2 379.909 3.829 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001462071583 1069979270 /nfs/dbraw/zinc/97/92/70/1069979270.db2.gz NIGZHVHCUSZBGA-CHWSQXEVSA-N 1 2 399.329 3.984 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001462071583 1069979272 /nfs/dbraw/zinc/97/92/72/1069979272.db2.gz NIGZHVHCUSZBGA-CHWSQXEVSA-N 1 2 399.329 3.984 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1Cl ZINC001232269907 1037994006 /nfs/dbraw/zinc/99/40/06/1037994006.db2.gz MYBOKMXIIWOTHD-UHFFFAOYSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1Cl ZINC001232269907 1037994012 /nfs/dbraw/zinc/99/40/12/1037994012.db2.gz MYBOKMXIIWOTHD-UHFFFAOYSA-N 1 2 384.904 3.886 20 10 GHCDLO CCOc1ccnc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001232585875 1038356269 /nfs/dbraw/zinc/35/62/69/1038356269.db2.gz JDLRHELMFMZSFC-UHFFFAOYSA-N 1 2 381.398 3.701 20 10 GHCDLO C[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)[C@H]1CC(C)(C)OC1=O ZINC001462277129 1070137734 /nfs/dbraw/zinc/13/77/34/1070137734.db2.gz ACILXYDXWBIUSS-KRWDZBQOSA-N 1 2 395.341 3.965 20 10 GHCDLO C[N@@H+](Cc1ccc(N2CCCCC2)c(Br)c1)[C@H]1CC(C)(C)OC1=O ZINC001462277129 1070137745 /nfs/dbraw/zinc/13/77/45/1070137745.db2.gz ACILXYDXWBIUSS-KRWDZBQOSA-N 1 2 395.341 3.965 20 10 GHCDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(I)cc1O)CC2 ZINC001232975245 1038745954 /nfs/dbraw/zinc/74/59/54/1038745954.db2.gz XNAHGVKVOZXZCM-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(I)cc1O)CC2 ZINC001232975245 1038745956 /nfs/dbraw/zinc/74/59/56/1038745956.db2.gz XNAHGVKVOZXZCM-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO COc1cc(Cl)cc(F)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001233004721 1038765357 /nfs/dbraw/zinc/76/53/57/1038765357.db2.gz WPUDKGOIRDFHKL-UHFFFAOYSA-N 1 2 378.875 3.956 20 10 GHCDLO COc1cc(Cl)cc(F)c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001233004721 1038765364 /nfs/dbraw/zinc/76/53/64/1038765364.db2.gz WPUDKGOIRDFHKL-UHFFFAOYSA-N 1 2 378.875 3.956 20 10 GHCDLO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333251 1039130699 /nfs/dbraw/zinc/13/06/99/1039130699.db2.gz OYPNQTSFDDHTCR-HNNXBMFYSA-N 1 2 392.446 3.519 20 10 GHCDLO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333251 1039130704 /nfs/dbraw/zinc/13/07/04/1039130704.db2.gz OYPNQTSFDDHTCR-HNNXBMFYSA-N 1 2 392.446 3.519 20 10 GHCDLO CO[C@@H](C[NH+]1CCN(Cc2cccc(C(F)(F)F)c2O)CC1)c1ccccc1 ZINC001233419324 1039280151 /nfs/dbraw/zinc/28/01/51/1039280151.db2.gz UAGSUICAHMIJSH-IBGZPJMESA-N 1 2 394.437 3.916 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001235058057 1040548769 /nfs/dbraw/zinc/54/87/69/1040548769.db2.gz VJUNKXQTPFUKOZ-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001235058057 1040548787 /nfs/dbraw/zinc/54/87/87/1040548787.db2.gz VJUNKXQTPFUKOZ-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235063855 1040553170 /nfs/dbraw/zinc/55/31/70/1040553170.db2.gz BSFRJOJSRLKDLO-GOSISDBHSA-N 1 2 399.304 3.517 20 10 GHCDLO CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235063855 1040553177 /nfs/dbraw/zinc/55/31/77/1040553177.db2.gz BSFRJOJSRLKDLO-GOSISDBHSA-N 1 2 399.304 3.517 20 10 GHCDLO CCc1noc(C2CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)n1 ZINC001235066684 1040554288 /nfs/dbraw/zinc/55/42/88/1040554288.db2.gz LYXNHFXXMHQYLC-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO CC(C)N1CCC2(CC[NH+](Cc3cc(F)cc(Br)c3O)CC2)C1=O ZINC001235308373 1040781092 /nfs/dbraw/zinc/78/10/92/1040781092.db2.gz PQLHPTLWSSIXBX-UHFFFAOYSA-N 1 2 399.304 3.517 20 10 GHCDLO COc1cc(O)c(C[NH+]2CC(Oc3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC001236754806 1041874294 /nfs/dbraw/zinc/87/42/94/1041874294.db2.gz AGGAPMCANPPQRF-UHFFFAOYSA-N 1 2 383.366 3.691 20 10 GHCDLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cc(Cl)c(Cl)cc3O)O2)n1 ZINC001236791916 1041897249 /nfs/dbraw/zinc/89/72/49/1041897249.db2.gz BPNBBYCFHQNILD-BMFZPTHFSA-N 1 2 384.263 3.885 20 10 GHCDLO COc1cc(O)c(C[NH+]2CC3(C2)CCN(Cc2csc(C)n2)C3)c(Cl)c1 ZINC001236797387 1041901552 /nfs/dbraw/zinc/90/15/52/1041901552.db2.gz NFLSNNGPXMTWLG-UHFFFAOYSA-N 1 2 393.940 3.527 20 10 GHCDLO COc1cc(O)c(CN2CC3(C2)CC[N@H+](Cc2csc(C)n2)C3)c(Cl)c1 ZINC001236797387 1041901554 /nfs/dbraw/zinc/90/15/54/1041901554.db2.gz NFLSNNGPXMTWLG-UHFFFAOYSA-N 1 2 393.940 3.527 20 10 GHCDLO COc1cc(O)c(CN2CC3(C2)CC[N@@H+](Cc2csc(C)n2)C3)c(Cl)c1 ZINC001236797387 1041901556 /nfs/dbraw/zinc/90/15/56/1041901556.db2.gz NFLSNNGPXMTWLG-UHFFFAOYSA-N 1 2 393.940 3.527 20 10 GHCDLO COc1ccc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(O)c1Cl ZINC001236811147 1041911511 /nfs/dbraw/zinc/91/15/11/1041911511.db2.gz HKTZYSCIOORKIP-UHFFFAOYSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1Cl ZINC001236812169 1041911908 /nfs/dbraw/zinc/91/19/08/1041911908.db2.gz SLJUPPAHUDSFGI-UKRRQHHQSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1Cl ZINC001236812169 1041911910 /nfs/dbraw/zinc/91/19/10/1041911910.db2.gz SLJUPPAHUDSFGI-UKRRQHHQSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1ccc(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)c(O)c1Cl ZINC001236814293 1041912865 /nfs/dbraw/zinc/91/28/65/1041912865.db2.gz VFNPXISMWBCFMU-UHFFFAOYSA-N 1 2 386.879 3.930 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCc3cccc(OC)c3C2)c(Br)c1 ZINC001237064260 1042016859 /nfs/dbraw/zinc/01/68/59/1042016859.db2.gz YXJHWNAHCAIVCK-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCc3cccc(OC)c3C2)c(Br)c1 ZINC001237064260 1042016862 /nfs/dbraw/zinc/01/68/62/1042016862.db2.gz YXJHWNAHCAIVCK-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC001237111764 1042044274 /nfs/dbraw/zinc/04/42/74/1042044274.db2.gz SYDKZSYCIGRFSY-UHFFFAOYSA-N 1 2 384.373 3.748 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237120667 1042048305 /nfs/dbraw/zinc/04/83/05/1042048305.db2.gz FFKKFIKOVHMSPP-CVEARBPZSA-N 1 2 375.875 3.534 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237120667 1042048312 /nfs/dbraw/zinc/04/83/12/1042048312.db2.gz FFKKFIKOVHMSPP-CVEARBPZSA-N 1 2 375.875 3.534 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCN(c2ccc(F)c(F)c2)CC1 ZINC001237119368 1042048363 /nfs/dbraw/zinc/04/83/63/1042048363.db2.gz GDOLNMLIQMWMSZ-UHFFFAOYSA-N 1 2 388.336 3.891 20 10 GHCDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237221179 1042094947 /nfs/dbraw/zinc/09/49/47/1042094947.db2.gz QBGMWVLLEHDTPQ-MRXNPFEDSA-N 1 2 392.952 3.768 20 10 GHCDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237221179 1042094951 /nfs/dbraw/zinc/09/49/51/1042094951.db2.gz QBGMWVLLEHDTPQ-MRXNPFEDSA-N 1 2 392.952 3.768 20 10 GHCDLO C[C@H]1CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)[C@H]1CO ZINC001237784957 1042368681 /nfs/dbraw/zinc/36/86/81/1042368681.db2.gz ZPHRXMZICWUCQA-ZANVPECISA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)[C@H]1CO ZINC001237784957 1042368684 /nfs/dbraw/zinc/36/86/84/1042368684.db2.gz ZPHRXMZICWUCQA-ZANVPECISA-N 1 2 382.220 3.766 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]2C1 ZINC001237798797 1042375729 /nfs/dbraw/zinc/37/57/29/1042375729.db2.gz CMOWDOYNASYPNS-TZMCWYRMSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]2C1 ZINC001237798797 1042375734 /nfs/dbraw/zinc/37/57/34/1042375734.db2.gz CMOWDOYNASYPNS-TZMCWYRMSA-N 1 2 384.879 3.874 20 10 GHCDLO COc1cccc(C(=O)NC2CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)c1 ZINC001237801956 1042378077 /nfs/dbraw/zinc/37/80/77/1042378077.db2.gz JJZZYETXOQPVRX-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]21 ZINC001237802612 1042378248 /nfs/dbraw/zinc/37/82/48/1042378248.db2.gz MNXSXFZWYJEHKJ-SGIREYDYSA-N 1 2 384.879 3.920 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]21 ZINC001237802612 1042378254 /nfs/dbraw/zinc/37/82/54/1042378254.db2.gz MNXSXFZWYJEHKJ-SGIREYDYSA-N 1 2 384.879 3.920 20 10 GHCDLO Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)o2)cc1 ZINC001257341977 1043967872 /nfs/dbraw/zinc/96/78/72/1043967872.db2.gz OWNBVMGLKBRZAY-UXHICEINSA-N 1 2 391.471 3.854 20 10 GHCDLO C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@H+](C)CCC1CC1 ZINC001307592799 1049430884 /nfs/dbraw/zinc/43/08/84/1049430884.db2.gz QQPOMGJERGSSOM-CQSZACIVSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@@H+](C)CCC1CC1 ZINC001307592799 1049430890 /nfs/dbraw/zinc/43/08/90/1049430890.db2.gz QQPOMGJERGSSOM-CQSZACIVSA-N 1 2 376.456 3.521 20 10 GHCDLO CCOC(=O)c1c(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]32)sc(C)c1-c1ccccc1 ZINC001307650865 1049477023 /nfs/dbraw/zinc/47/70/23/1049477023.db2.gz VOABXIFWJKZKBB-JKSUJKDBSA-N 1 2 384.501 3.933 20 10 GHCDLO CCOC(=O)c1c(NC(=O)C[N@H+]2CC[C@H]3C[C@H]32)sc(C)c1-c1ccccc1 ZINC001307650865 1049477030 /nfs/dbraw/zinc/47/70/30/1049477030.db2.gz VOABXIFWJKZKBB-JKSUJKDBSA-N 1 2 384.501 3.933 20 10 GHCDLO COc1cccc([C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)OC)c1 ZINC001308473287 1049984120 /nfs/dbraw/zinc/98/41/20/1049984120.db2.gz BDIBQDYCABAJLQ-INIZCTEOSA-N 1 2 384.245 3.780 20 10 GHCDLO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)c(OC)c1 ZINC001308773406 1050089142 /nfs/dbraw/zinc/08/91/42/1050089142.db2.gz JOBUMMQTWVHOHP-NSHDSACASA-N 1 2 383.847 3.931 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC001319516376 1055302035 /nfs/dbraw/zinc/30/20/35/1055302035.db2.gz XGFFOYRTPILTSH-IBGZPJMESA-N 1 2 381.520 3.851 20 10 GHCDLO Cc1cc(NCc2ccc(N3CCOCC3)cc2)[nH+]c(C)c1Br ZINC001319973105 1055571188 /nfs/dbraw/zinc/57/11/88/1055571188.db2.gz LIIKIWQTYQZDAF-UHFFFAOYSA-N 1 2 376.298 3.910 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(Br)cc(F)c1O ZINC000848557846 1057177628 /nfs/dbraw/zinc/17/76/28/1057177628.db2.gz HVYFLGCNGZNOMN-MGPLVRAMSA-N 1 2 393.256 3.898 20 10 GHCDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001460065401 1064392516 /nfs/dbraw/zinc/39/25/16/1064392516.db2.gz NNMQTHHEHWNFOP-INIZCTEOSA-N 1 2 382.888 3.739 20 10 GHCDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001460065401 1064392529 /nfs/dbraw/zinc/39/25/29/1064392529.db2.gz NNMQTHHEHWNFOP-INIZCTEOSA-N 1 2 382.888 3.739 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1O ZINC001460770078 1069167607 /nfs/dbraw/zinc/16/76/07/1069167607.db2.gz ATKQCWNWTUPSGB-INIZCTEOSA-N 1 2 396.915 3.983 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1O ZINC001460770078 1069167609 /nfs/dbraw/zinc/16/76/09/1069167609.db2.gz ATKQCWNWTUPSGB-INIZCTEOSA-N 1 2 396.915 3.983 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC001474099800 1074263394 /nfs/dbraw/zinc/26/33/94/1074263394.db2.gz HARQSLBDIXJSGZ-MBNYWOFBSA-N 1 2 378.332 3.763 20 10 GHCDLO O=c1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c2ccc(O)cc2o1 ZINC000176789343 834689856 /nfs/dbraw/zinc/68/98/56/834689856.db2.gz UFAHMZZKBWNABS-UHFFFAOYSA-N 1 2 377.396 4.000 20 10 GHCDLO O=c1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c2ccc(O)cc2o1 ZINC000176789343 834689861 /nfs/dbraw/zinc/68/98/61/834689861.db2.gz UFAHMZZKBWNABS-UHFFFAOYSA-N 1 2 377.396 4.000 20 10 GHCDLO Cc1cc(CCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccc1 ZINC000728743361 838825703 /nfs/dbraw/zinc/82/57/03/838825703.db2.gz MDAKPTYRZPBPPG-QFIPXVFZSA-N 1 2 391.519 3.880 20 10 GHCDLO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)cs1 ZINC000271754645 846910727 /nfs/dbraw/zinc/91/07/27/846910727.db2.gz CKUXRKPWVBBUHI-CQSZACIVSA-N 1 2 395.956 3.917 20 10 GHCDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)cs1 ZINC000271754645 846910740 /nfs/dbraw/zinc/91/07/40/846910740.db2.gz CKUXRKPWVBBUHI-CQSZACIVSA-N 1 2 395.956 3.917 20 10 GHCDLO C[C@H]1CN(c2ccc(CNc3cc(N4CCCCC4)nc[nH+]3)cc2F)C[C@H](C)O1 ZINC000731978943 861993883 /nfs/dbraw/zinc/99/38/83/861993883.db2.gz DBTUBIQOHOYUBQ-IRXDYDNUSA-N 1 2 399.514 3.832 20 10 GHCDLO C[C@H]1CN(c2ccc(CNc3cc(N4CCCCC4)[nH+]cn3)cc2F)C[C@H](C)O1 ZINC000731978943 861993890 /nfs/dbraw/zinc/99/38/90/861993890.db2.gz DBTUBIQOHOYUBQ-IRXDYDNUSA-N 1 2 399.514 3.832 20 10 GHCDLO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000732127413 862080530 /nfs/dbraw/zinc/08/05/30/862080530.db2.gz JIECLBGFDRGTML-JOCHJYFZSA-N 1 2 395.547 3.729 20 10 GHCDLO O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816096 857791281 /nfs/dbraw/zinc/79/12/81/857791281.db2.gz QDCIHSWANXJNPB-UBAGTECSSA-N 1 2 381.476 3.556 20 10 GHCDLO O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816096 857791285 /nfs/dbraw/zinc/79/12/85/857791285.db2.gz QDCIHSWANXJNPB-UBAGTECSSA-N 1 2 381.476 3.556 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000734517508 864273304 /nfs/dbraw/zinc/27/33/04/864273304.db2.gz NJUSASDOJYGGEY-UHFFFAOYSA-N 1 2 387.553 3.825 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCCC[C@H]4CO)nc[nH+]3)cc2)CC1 ZINC000302905737 865985487 /nfs/dbraw/zinc/98/54/87/865985487.db2.gz SRJRREBIZQWVQC-NRFANRHFSA-N 1 2 395.551 3.676 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCCC[C@H]4CO)[nH+]cn3)cc2)CC1 ZINC000302905737 865985491 /nfs/dbraw/zinc/98/54/91/865985491.db2.gz SRJRREBIZQWVQC-NRFANRHFSA-N 1 2 395.551 3.676 20 10 GHCDLO COc1cc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)cc(OC)c1OC ZINC000183697495 867289469 /nfs/dbraw/zinc/28/94/69/867289469.db2.gz JIZOSHISCMJQPJ-UHFFFAOYSA-N 1 2 399.516 3.644 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC001192412875 870382616 /nfs/dbraw/zinc/38/26/16/870382616.db2.gz LRVQXVFLAHHVTB-NRFANRHFSA-N 1 2 399.922 3.666 20 10 GHCDLO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1c(F)cccc1Cl ZINC000775546134 870629436 /nfs/dbraw/zinc/62/94/36/870629436.db2.gz QZJZELCOKFYPPU-CQSZACIVSA-N 1 2 377.891 3.854 20 10 GHCDLO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001169581822 871677200 /nfs/dbraw/zinc/67/72/00/871677200.db2.gz JTCDIDDKFHIHKA-JLTOFOAXSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001169581822 871677208 /nfs/dbraw/zinc/67/72/08/871677208.db2.gz JTCDIDDKFHIHKA-JLTOFOAXSA-N 1 2 376.456 3.521 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(c3nc(C)no3)CC2)c(C)n1-c1cccc(F)c1 ZINC000103469430 872027469 /nfs/dbraw/zinc/02/74/69/872027469.db2.gz XSLHZZLDVLIGHZ-UHFFFAOYSA-N 1 2 396.466 3.987 20 10 GHCDLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000768133513 873105898 /nfs/dbraw/zinc/10/58/98/873105898.db2.gz UQYTVKHTOTTYDA-QGZVFWFLSA-N 1 2 380.467 3.987 20 10 GHCDLO O=C1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CN1Cc1ccccc1C(F)(F)F ZINC000768530556 873363842 /nfs/dbraw/zinc/36/38/42/873363842.db2.gz KNSPRFSSCUCDPL-CQSZACIVSA-N 1 2 398.812 3.955 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000769313511 873959191 /nfs/dbraw/zinc/95/91/91/873959191.db2.gz OWUSHBIDQPTXFX-UHFFFAOYSA-N 1 2 375.875 3.503 20 10 GHCDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc(Br)c1O ZINC000769380364 874008814 /nfs/dbraw/zinc/00/88/14/874008814.db2.gz UZCJISFWGISUEM-QGZVFWFLSA-N 1 2 392.293 3.761 20 10 GHCDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000769380364 874008833 /nfs/dbraw/zinc/00/88/33/874008833.db2.gz UZCJISFWGISUEM-QGZVFWFLSA-N 1 2 392.293 3.761 20 10 GHCDLO COc1cc(F)ccc1N1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000769428474 874051597 /nfs/dbraw/zinc/05/15/97/874051597.db2.gz RYLGMJWFJRVFBR-UHFFFAOYSA-N 1 2 395.272 3.625 20 10 GHCDLO CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(N(C)C)c(F)c1 ZINC000769456276 874081967 /nfs/dbraw/zinc/08/19/67/874081967.db2.gz IHZKFRTYCXNMBP-UHFFFAOYSA-N 1 2 397.416 3.659 20 10 GHCDLO CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(N(C)C)c(F)c1 ZINC000769456276 874081984 /nfs/dbraw/zinc/08/19/84/874081984.db2.gz IHZKFRTYCXNMBP-UHFFFAOYSA-N 1 2 397.416 3.659 20 10 GHCDLO CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)ccc1O ZINC000769457062 874082407 /nfs/dbraw/zinc/08/24/07/874082407.db2.gz NKCUMUAWIAMCQC-UHFFFAOYSA-N 1 2 386.801 3.813 20 10 GHCDLO CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)ccc1O ZINC000769457062 874082419 /nfs/dbraw/zinc/08/24/19/874082419.db2.gz NKCUMUAWIAMCQC-UHFFFAOYSA-N 1 2 386.801 3.813 20 10 GHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000776150840 875599749 /nfs/dbraw/zinc/59/97/49/875599749.db2.gz AGZUXGKZDRPTOK-GOSISDBHSA-N 1 2 381.303 3.862 20 10 GHCDLO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776218866 875892812 /nfs/dbraw/zinc/89/28/12/875892812.db2.gz LQXPIWNQRGBVLL-CABZTGNLSA-N 1 2 395.135 3.804 20 10 GHCDLO CN1C(=O)C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@@H]1c1ccc(Cl)cc1 ZINC000776252001 876030535 /nfs/dbraw/zinc/03/05/35/876030535.db2.gz IBJZFZJOVPYMJN-WBVHZDCISA-N 1 2 383.250 3.900 20 10 GHCDLO Cc1nc(NCc2ccc(N(C)C)cc2)nc(NCc2ccc(N(C)C)cc2)[nH+]1 ZINC000772612105 876032909 /nfs/dbraw/zinc/03/29/09/876032909.db2.gz NYVCZOVJLGSNLK-UHFFFAOYSA-N 1 2 391.523 3.536 20 10 GHCDLO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(Br)cc(F)c1O ZINC000850567078 877034468 /nfs/dbraw/zinc/03/44/68/877034468.db2.gz XASRVUOGPQYOQL-SECBINFHSA-N 1 2 382.220 3.885 20 10 GHCDLO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000897366397 879259234 /nfs/dbraw/zinc/25/92/34/879259234.db2.gz OANXGDFAARDQQL-UHFFFAOYSA-N 1 2 385.489 3.842 20 10 GHCDLO COc1ccccc1[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC001183363894 912439205 /nfs/dbraw/zinc/43/92/05/912439205.db2.gz OIORZCAEMWIMKL-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1ccccc1[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC001183363894 912439216 /nfs/dbraw/zinc/43/92/16/912439216.db2.gz OIORZCAEMWIMKL-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000858930078 883471015 /nfs/dbraw/zinc/47/10/15/883471015.db2.gz RRGWSQHUJBRDJC-UHFFFAOYSA-N 1 2 390.487 3.578 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000860043267 884285448 /nfs/dbraw/zinc/28/54/48/884285448.db2.gz RJZCDNOZASLSPI-ZHRRBRCNSA-N 1 2 390.487 3.826 20 10 GHCDLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142527566 884542827 /nfs/dbraw/zinc/54/28/27/884542827.db2.gz ZKHOYKQFDJIWAT-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142527566 884542842 /nfs/dbraw/zinc/54/28/42/884542842.db2.gz ZKHOYKQFDJIWAT-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1C ZINC000860421408 884662849 /nfs/dbraw/zinc/66/28/49/884662849.db2.gz USLJTUPJCKSKRW-LJQANCHMSA-N 1 2 390.487 3.578 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000153409731 885194060 /nfs/dbraw/zinc/19/40/60/885194060.db2.gz PCIUMVKHNMVTRV-JXFKEZNVSA-N 1 2 387.503 3.661 20 10 GHCDLO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccccc1 ZINC000795849235 912908336 /nfs/dbraw/zinc/90/83/36/912908336.db2.gz GOMKMTSGDITWCO-MEDUHNTESA-N 1 2 395.272 3.822 20 10 GHCDLO C[C@H]1CSC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000809702129 887698135 /nfs/dbraw/zinc/69/81/35/887698135.db2.gz CICKFBFLPMBCKB-WRWORJQWSA-N 1 2 381.133 3.758 20 10 GHCDLO CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3cccc(Cl)c3O)c2)n1 ZINC000809762114 887805060 /nfs/dbraw/zinc/80/50/60/887805060.db2.gz CZNZXKOYMOTMPH-UHFFFAOYSA-N 1 2 385.851 3.698 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Br)cc(F)c1O ZINC000866531008 888921157 /nfs/dbraw/zinc/92/11/57/888921157.db2.gz DHTQGKJHWHEEOH-AAEUAGOBSA-N 1 2 388.277 3.530 20 10 GHCDLO COC(=O)c1cc(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)n(C)c1C ZINC000812767126 890969530 /nfs/dbraw/zinc/96/95/30/890969530.db2.gz SNEYIQWKFJNUKG-UHFFFAOYSA-N 1 2 395.503 3.982 20 10 GHCDLO COC(=O)c1cc(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)n(C)c1C ZINC000812767126 890969541 /nfs/dbraw/zinc/96/95/41/890969541.db2.gz SNEYIQWKFJNUKG-UHFFFAOYSA-N 1 2 395.503 3.982 20 10 GHCDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cc(Cl)cc(F)c2O)CC1 ZINC000814179358 892345357 /nfs/dbraw/zinc/34/53/57/892345357.db2.gz SENKAXRKSMGEJW-UHFFFAOYSA-N 1 2 397.903 3.654 20 10 GHCDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(Cl)cc(F)c2O)CC1 ZINC000814179358 892345378 /nfs/dbraw/zinc/34/53/78/892345378.db2.gz SENKAXRKSMGEJW-UHFFFAOYSA-N 1 2 397.903 3.654 20 10 GHCDLO Cc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000917926052 892793974 /nfs/dbraw/zinc/79/39/74/892793974.db2.gz LMAYNURKQNVCJF-UHFFFAOYSA-N 1 2 389.927 3.588 20 10 GHCDLO CC[C@@H](Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1)c1ccc(N(C)C)cc1 ZINC000815655720 894071110 /nfs/dbraw/zinc/07/11/10/894071110.db2.gz ZXNPQKBUNHNHRP-HXUWFJFHSA-N 1 2 397.523 3.599 20 10 GHCDLO CO[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O)C1CC1 ZINC000815650855 894095672 /nfs/dbraw/zinc/09/56/72/894095672.db2.gz CUSBTOAAHPCIIM-OQPBUACISA-N 1 2 393.119 3.993 20 10 GHCDLO CN(C)C(=O)C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccccc1 ZINC000882919532 897108200 /nfs/dbraw/zinc/10/82/00/897108200.db2.gz LRGKDIIDZWAFIK-MRXNPFEDSA-N 1 2 395.272 3.603 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886300217 900925773 /nfs/dbraw/zinc/92/57/73/900925773.db2.gz CBAUBBSGJSULSN-OAHLLOKOSA-N 1 2 384.314 3.610 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001144299524 901648799 /nfs/dbraw/zinc/64/87/99/901648799.db2.gz ZSJOPKCEBYFOGG-UHFFFAOYSA-N 1 2 395.272 3.980 20 10 GHCDLO C[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000845080245 901732261 /nfs/dbraw/zinc/73/22/61/901732261.db2.gz NGTFWQGVAAAOIG-FUHWJXTLSA-N 1 2 395.837 3.568 20 10 GHCDLO C[N@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000845080245 901732274 /nfs/dbraw/zinc/73/22/74/901732274.db2.gz NGTFWQGVAAAOIG-FUHWJXTLSA-N 1 2 395.837 3.568 20 10 GHCDLO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778998070 902657580 /nfs/dbraw/zinc/65/75/80/902657580.db2.gz GVZOGHPZWQJKJF-UHFFFAOYSA-N 1 2 383.250 3.796 20 10 GHCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177785078 906216920 /nfs/dbraw/zinc/21/69/20/906216920.db2.gz HJXBYDCVSNRZJO-UHFFFAOYSA-N 1 2 377.492 3.666 20 10 GHCDLO OCC1CCN(c2ccc(C[NH2+]Cc3cc(Cl)cc(F)c3O)cc2)CC1 ZINC001177479394 908615180 /nfs/dbraw/zinc/61/51/80/908615180.db2.gz RPQCKSUFHLMXJP-UHFFFAOYSA-N 1 2 378.875 3.683 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000195739178 909039232 /nfs/dbraw/zinc/03/92/32/909039232.db2.gz HOLFEGJYBNXGKY-JOCHJYFZSA-N 1 2 397.588 3.939 20 10 GHCDLO COC(=O)c1c(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c2cc(F)ccc2n1C ZINC001180812433 910380450 /nfs/dbraw/zinc/38/04/50/910380450.db2.gz ZQVQUVJWMUIFPT-AWEZNQCLSA-N 1 2 382.435 3.887 20 10 GHCDLO COC(=O)c1c(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c2cc(F)ccc2n1C ZINC001180812433 910380468 /nfs/dbraw/zinc/38/04/68/910380468.db2.gz ZQVQUVJWMUIFPT-AWEZNQCLSA-N 1 2 382.435 3.887 20 10 GHCDLO COC1(CO)CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC000773945874 910980584 /nfs/dbraw/zinc/98/05/84/910980584.db2.gz RCEYXAMVCDNNLI-UHFFFAOYSA-N 1 2 398.547 3.874 20 10 GHCDLO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001190590335 917434117 /nfs/dbraw/zinc/43/41/17/917434117.db2.gz YNMUWQWTHTYTOT-NVXWUHKLSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001190590335 917434126 /nfs/dbraw/zinc/43/41/26/917434126.db2.gz YNMUWQWTHTYTOT-NVXWUHKLSA-N 1 2 390.483 3.911 20 10 GHCDLO Cc1nc(NCc2cccc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2)cc[nH+]1 ZINC000775403110 917467778 /nfs/dbraw/zinc/46/77/78/917467778.db2.gz GMTFFTYCOPXQCD-INIZCTEOSA-N 1 2 389.503 3.954 20 10 GHCDLO CCc1ccc(C[NH+]2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)s1 ZINC001191113478 917763771 /nfs/dbraw/zinc/76/37/71/917763771.db2.gz XZSOIDCNFKJVCX-UHFFFAOYSA-N 1 2 376.497 3.676 20 10 GHCDLO COc1cc(N2CC[NH+](Cc3cccc(Br)c3O)CC2)ccc1F ZINC000802660002 922320041 /nfs/dbraw/zinc/32/00/41/922320041.db2.gz VVJBAGZKFVYSEU-UHFFFAOYSA-N 1 2 395.272 3.625 20 10 GHCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(Cl)c1O ZINC001137438467 925789658 /nfs/dbraw/zinc/78/96/58/925789658.db2.gz LKJIDSWAVGRPCF-AWEZNQCLSA-N 1 2 395.286 3.799 20 10 GHCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(Cl)c1O ZINC001137438467 925789662 /nfs/dbraw/zinc/78/96/62/925789662.db2.gz LKJIDSWAVGRPCF-AWEZNQCLSA-N 1 2 395.286 3.799 20 10 GHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2Cl)C1 ZINC000374371119 927065063 /nfs/dbraw/zinc/06/50/63/927065063.db2.gz IAWMNKLFRJJKER-NVXWUHKLSA-N 1 2 386.927 3.652 20 10 GHCDLO C[N@H+](Cc1ccccc1O)Cc1ncc(Br)cc1Br ZINC000753958310 929611101 /nfs/dbraw/zinc/61/11/01/929611101.db2.gz BHXZXGHBLCXCQF-UHFFFAOYSA-N 1 2 386.087 3.944 20 10 GHCDLO C[N@@H+](Cc1ccccc1O)Cc1ncc(Br)cc1Br ZINC000753958310 929611104 /nfs/dbraw/zinc/61/11/04/929611104.db2.gz BHXZXGHBLCXCQF-UHFFFAOYSA-N 1 2 386.087 3.944 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c1O ZINC000783597974 931592060 /nfs/dbraw/zinc/59/20/60/931592060.db2.gz PZBGTBLXRLWIPU-GFCCVEGCSA-N 1 2 378.266 3.946 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2Cc3ccccc3OC[C@H]2C)c1O ZINC000783597974 931592066 /nfs/dbraw/zinc/59/20/66/931592066.db2.gz PZBGTBLXRLWIPU-GFCCVEGCSA-N 1 2 378.266 3.946 20 10 GHCDLO O=C1/C(=C/c2cc(-n3cc[nH+]c3)cs2)SC(=S)N1CCc1cccnc1 ZINC000783692727 931620356 /nfs/dbraw/zinc/62/03/56/931620356.db2.gz ARLPTIJPYQVBMA-SXGWCWSVSA-N 1 2 398.538 3.773 20 10 GHCDLO CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc(F)cc1O ZINC000796692171 932031723 /nfs/dbraw/zinc/03/17/23/932031723.db2.gz AFMNLAONTSKWMR-QFIPXVFZSA-N 1 2 385.527 3.910 20 10 GHCDLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1C ZINC001221599273 1032477276 /nfs/dbraw/zinc/47/72/76/1032477276.db2.gz AAGWGCIWVZOMIW-MRXNPFEDSA-N 1 2 384.524 3.512 20 10 GHCDLO O=C(c1ccncc1)c1ccccc1Nc1cccc(CC[NH+]2CCOCC2)c1 ZINC001204407184 1032833381 /nfs/dbraw/zinc/83/33/81/1032833381.db2.gz MJYYNMCJKMYNLH-UHFFFAOYSA-N 1 2 387.483 3.931 20 10 GHCDLO CCOc1cccc(C[N@@H+]2CCOc3ccc(Br)cc3C2)c1O ZINC000802659055 1021517856 /nfs/dbraw/zinc/51/78/56/1021517856.db2.gz DHIVQPSXACXCFM-UHFFFAOYSA-N 1 2 378.266 3.948 20 10 GHCDLO CCOc1cccc(C[N@H+]2CCOc3ccc(Br)cc3C2)c1O ZINC000802659055 1021517869 /nfs/dbraw/zinc/51/78/69/1021517869.db2.gz DHIVQPSXACXCFM-UHFFFAOYSA-N 1 2 378.266 3.948 20 10 GHCDLO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)O1 ZINC000835086089 1021884722 /nfs/dbraw/zinc/88/47/22/1021884722.db2.gz CGXNBXFEKUCREB-KCJUWKMLSA-N 1 2 379.092 3.574 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCOC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000754659599 1022814560 /nfs/dbraw/zinc/81/45/60/1022814560.db2.gz ZLWFBHSKELBAQL-MRXNPFEDSA-N 1 2 378.419 3.599 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCOC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000754659599 1022814574 /nfs/dbraw/zinc/81/45/74/1022814574.db2.gz ZLWFBHSKELBAQL-MRXNPFEDSA-N 1 2 378.419 3.599 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(Br)cc(Cl)c1O ZINC000756351844 1023601345 /nfs/dbraw/zinc/60/13/45/1023601345.db2.gz ORFDDWWVLOOOOG-SECBINFHSA-N 1 2 383.673 3.758 20 10 GHCDLO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(Br)cc(F)c1O ZINC000756361503 1023606617 /nfs/dbraw/zinc/60/66/17/1023606617.db2.gz JWBWAVQIKKKYEK-JTQLQIEISA-N 1 2 382.229 3.916 20 10 GHCDLO CSCC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1nnc2ccccn21 ZINC000756364967 1023608093 /nfs/dbraw/zinc/60/80/93/1023608093.db2.gz MFGBZXYEGGXICO-XHDPSFHLSA-N 1 2 378.448 3.858 20 10 GHCDLO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(Br)c(F)cc1O ZINC000756477658 1023676500 /nfs/dbraw/zinc/67/65/00/1023676500.db2.gz CMEXWLQNKPGRQL-GFCCVEGCSA-N 1 2 379.273 3.960 20 10 GHCDLO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000756539242 1023704307 /nfs/dbraw/zinc/70/43/07/1023704307.db2.gz KUVYTCLBSGYUPJ-GXFFZTMASA-N 1 2 396.256 3.957 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000756610243 1023737412 /nfs/dbraw/zinc/73/74/12/1023737412.db2.gz TYKOUEMUWKWQPB-JKSUJKDBSA-N 1 2 375.463 3.532 20 10 GHCDLO C[C@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1cc(F)cc(F)c1O ZINC000756611514 1023738212 /nfs/dbraw/zinc/73/82/12/1023738212.db2.gz WLRQFTVRTRLKDJ-AUSJPIAWSA-N 1 2 376.447 3.611 20 10 GHCDLO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)c3cc(F)cc(F)c3O)C2)c1 ZINC000756650719 1023755118 /nfs/dbraw/zinc/75/51/18/1023755118.db2.gz PIVIDQZSBZZKAC-ZIAGYGMSSA-N 1 2 392.446 3.865 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)cc(F)c1O ZINC000756660438 1023759706 /nfs/dbraw/zinc/75/97/06/1023759706.db2.gz XIWSPWLIIYGZMV-BXUZGUMPSA-N 1 2 399.304 3.736 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)cc(F)c1O ZINC000756761047 1023804630 /nfs/dbraw/zinc/80/46/30/1023804630.db2.gz KZKHIIUETMECNP-ZBEGNZNMSA-N 1 2 399.304 3.878 20 10 GHCDLO Cc1c(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)c2ccccc2n1C ZINC001138255890 1024480066 /nfs/dbraw/zinc/48/00/66/1024480066.db2.gz WQCZWYVDLFJRSW-UHFFFAOYSA-N 1 2 391.563 3.851 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141373211 1024762498 /nfs/dbraw/zinc/76/24/98/1024762498.db2.gz RWRNXYODEAFEJL-SNVBAGLBSA-N 1 2 390.705 3.972 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141373211 1024762511 /nfs/dbraw/zinc/76/25/11/1024762511.db2.gz RWRNXYODEAFEJL-SNVBAGLBSA-N 1 2 390.705 3.972 20 10 GHCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000831707265 1024768069 /nfs/dbraw/zinc/76/80/69/1024768069.db2.gz YZWIOWPCHRFDRW-PXNSSMCTSA-N 1 2 375.472 3.941 20 10 GHCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c(OC)c1 ZINC001138392126 1024769760 /nfs/dbraw/zinc/76/97/60/1024769760.db2.gz RAVICGQENHLZIB-UHFFFAOYSA-N 1 2 375.557 3.622 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+](C)Cc3csc(C(C)(C)O)n3)cc2)CC1 ZINC000832389138 1025514740 /nfs/dbraw/zinc/51/47/40/1025514740.db2.gz BCMCYTTWOQVHPM-UHFFFAOYSA-N 1 2 389.565 3.618 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+](C)Cc3csc(C(C)(C)O)n3)cc2)CC1 ZINC000832389138 1025514746 /nfs/dbraw/zinc/51/47/46/1025514746.db2.gz BCMCYTTWOQVHPM-UHFFFAOYSA-N 1 2 389.565 3.618 20 10 GHCDLO Cc1ccc(N2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)cc1C ZINC001139126838 1025938995 /nfs/dbraw/zinc/93/89/95/1025938995.db2.gz RVGCSLRKCWIRKU-UHFFFAOYSA-N 1 2 378.472 3.746 20 10 GHCDLO Cc1ccc(C)c(C[N@@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)c1O ZINC001140179324 1026952216 /nfs/dbraw/zinc/95/22/16/1026952216.db2.gz HSCSGNZCNQQBKL-QGZVFWFLSA-N 1 2 378.476 3.756 20 10 GHCDLO Cc1ccc(C)c(C[N@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)c1O ZINC001140179324 1026952223 /nfs/dbraw/zinc/95/22/23/1026952223.db2.gz HSCSGNZCNQQBKL-QGZVFWFLSA-N 1 2 378.476 3.756 20 10 GHCDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(N4CCC(C)CC4)cc3)[nH+]cn2)C1 ZINC000840258699 1027388475 /nfs/dbraw/zinc/38/84/75/1027388475.db2.gz GUMXWFZROUGEBB-QUCCMNQESA-N 1 2 395.551 3.532 20 10 GHCDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(N4CCC(C)CC4)cc3)nc[nH+]2)C1 ZINC000840258699 1027388487 /nfs/dbraw/zinc/38/84/87/1027388487.db2.gz GUMXWFZROUGEBB-QUCCMNQESA-N 1 2 395.551 3.532 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001203568846 1027438904 /nfs/dbraw/zinc/43/89/04/1027438904.db2.gz XTCJNBUSLCRRJL-ZANVPECISA-N 1 2 391.103 3.528 20 10 GHCDLO O=c1[nH]c2cc(C[NH2+]Cc3cc(Cl)cc(Br)c3O)ccc2o1 ZINC001203583641 1027452769 /nfs/dbraw/zinc/45/27/69/1027452769.db2.gz SHKZKDOATMKNEG-UHFFFAOYSA-N 1 2 383.629 3.945 20 10 GHCDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841302235 1028393877 /nfs/dbraw/zinc/39/38/77/1028393877.db2.gz QMOVMZFVQNMYSA-UHFFFAOYSA-N 1 2 393.491 3.988 20 10 GHCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC001142520911 1029023666 /nfs/dbraw/zinc/02/36/66/1029023666.db2.gz RHJMNJPXAXZCGV-UHFFFAOYSA-N 1 2 397.263 3.751 20 10 GHCDLO COc1ccc(N2CC[C@H](COC(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)cc1 ZINC000842874188 1029651765 /nfs/dbraw/zinc/65/17/65/1029651765.db2.gz AASVGVOSHQQCIV-IBGZPJMESA-N 1 2 391.471 3.623 20 10 GHCDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461690248 1069680998 /nfs/dbraw/zinc/68/09/98/1069680998.db2.gz YYWGYDLLTMRHIN-VXFNFUGZSA-N 1 2 393.119 3.819 20 10 GHCDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc2ccccc2c1/N=N/c1nccs1 ZINC001218347707 1030905915 /nfs/dbraw/zinc/90/59/15/1030905915.db2.gz UPGDDVNDSAYOBR-DXDPLHPBSA-N 1 2 382.445 3.994 20 10 GHCDLO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967938 1030982183 /nfs/dbraw/zinc/98/21/83/1030982183.db2.gz VXLMPAHKDKNVQF-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967938 1030982185 /nfs/dbraw/zinc/98/21/85/1030982185.db2.gz VXLMPAHKDKNVQF-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO COC(=O)c1c(C[N@@H+]2CCOc3ccc(C)cc3C2)c2cc(F)ccc2n1C ZINC001205749887 1033557221 /nfs/dbraw/zinc/55/72/21/1033557221.db2.gz FUXUVQPHJPAVPT-UHFFFAOYSA-N 1 2 382.435 3.807 20 10 GHCDLO COC(=O)c1c(C[N@H+]2CCOc3ccc(C)cc3C2)c2cc(F)ccc2n1C ZINC001205749887 1033557227 /nfs/dbraw/zinc/55/72/27/1033557227.db2.gz FUXUVQPHJPAVPT-UHFFFAOYSA-N 1 2 382.435 3.807 20 10 GHCDLO Cc1cc(C)c(CN2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)c(O)c1 ZINC001231848275 1034940544 /nfs/dbraw/zinc/94/05/44/1034940544.db2.gz FHDUVRMUQAQJQY-UHFFFAOYSA-N 1 2 384.495 3.929 20 10 GHCDLO COc1cc(N(C)C)ccc1C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001231853123 1034943490 /nfs/dbraw/zinc/94/34/90/1034943490.db2.gz GBNCKVXTWDGJQH-NRFANRHFSA-N 1 2 395.547 3.603 20 10 GHCDLO COc1cc(N(C)C)ccc1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001231853123 1034943495 /nfs/dbraw/zinc/94/34/95/1034943495.db2.gz GBNCKVXTWDGJQH-NRFANRHFSA-N 1 2 395.547 3.603 20 10 GHCDLO Oc1c(Cl)cccc1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001231910334 1034984550 /nfs/dbraw/zinc/98/45/50/1034984550.db2.gz NOAJWHKGDZFOLO-SFHVURJKSA-N 1 2 388.895 3.781 20 10 GHCDLO CS(=O)(=O)c1cccc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)c1 ZINC001231912846 1034986903 /nfs/dbraw/zinc/98/69/03/1034986903.db2.gz BGZHEJMSPDDWIG-HNNXBMFYSA-N 1 2 379.909 3.829 20 10 GHCDLO CS(=O)(=O)c1cccc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)c1 ZINC001231912846 1034986906 /nfs/dbraw/zinc/98/69/06/1034986906.db2.gz BGZHEJMSPDDWIG-HNNXBMFYSA-N 1 2 379.909 3.829 20 10 GHCDLO CC1(C2CC[NH+](Cc3cc(Cl)cc(Br)c3O)CC2)OCCO1 ZINC001461968634 1069921168 /nfs/dbraw/zinc/92/11/68/1069921168.db2.gz YFLRSTGGUIVDNE-UHFFFAOYSA-N 1 2 390.705 3.783 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@@H]1COc2ccccc2O1 ZINC001462037011 1069960097 /nfs/dbraw/zinc/96/00/97/1069960097.db2.gz GCUSDRCQNDWETF-CYBMUJFWSA-N 1 2 382.229 3.566 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C[C@@H]1COc2ccccc2O1 ZINC001462037011 1069960102 /nfs/dbraw/zinc/96/01/02/1069960102.db2.gz GCUSDRCQNDWETF-CYBMUJFWSA-N 1 2 382.229 3.566 20 10 GHCDLO COc1cc(O)c(C[NH+]2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1Cl ZINC001232270565 1037993352 /nfs/dbraw/zinc/99/33/52/1037993352.db2.gz FOBBBVDGKFMXGJ-STQMWFEESA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(O)c(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)cc1Cl ZINC001232270508 1037993560 /nfs/dbraw/zinc/99/35/60/1037993560.db2.gz CMWTYVJZRXFSQW-UHFFFAOYSA-N 1 2 386.879 3.505 20 10 GHCDLO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233029386 1038780833 /nfs/dbraw/zinc/78/08/33/1038780833.db2.gz CCDBORLGMBBYTC-SFHVURJKSA-N 1 2 399.304 3.661 20 10 GHCDLO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233029386 1038780842 /nfs/dbraw/zinc/78/08/42/1038780842.db2.gz CCDBORLGMBBYTC-SFHVURJKSA-N 1 2 399.304 3.661 20 10 GHCDLO COc1ccc(C[N@H+](C)Cc2c(O)cc(Br)cc2F)c(OC)c1 ZINC001233032309 1038785648 /nfs/dbraw/zinc/78/56/48/1038785648.db2.gz ZGHDJLYAQOSDTO-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1ccc(C[N@@H+](C)Cc2c(O)cc(Br)cc2F)c(OC)c1 ZINC001233032309 1038785673 /nfs/dbraw/zinc/78/56/73/1038785673.db2.gz ZGHDJLYAQOSDTO-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233287784 1039065693 /nfs/dbraw/zinc/06/56/93/1039065693.db2.gz HKBWDSXCXYWZGV-LSDHHAIUSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233287784 1039065709 /nfs/dbraw/zinc/06/57/09/1039065709.db2.gz HKBWDSXCXYWZGV-LSDHHAIUSA-N 1 2 382.888 3.638 20 10 GHCDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4c(O)ccc(F)c4F)C[C@H]3O2)n1 ZINC001233333313 1039133873 /nfs/dbraw/zinc/13/38/73/1039133873.db2.gz RHXLRVPZDOMNON-FASAQXTFSA-N 1 2 389.446 3.936 20 10 GHCDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4c(O)ccc(F)c4F)C[C@H]3O2)n1 ZINC001233333313 1039133882 /nfs/dbraw/zinc/13/38/82/1039133882.db2.gz RHXLRVPZDOMNON-FASAQXTFSA-N 1 2 389.446 3.936 20 10 GHCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001233336227 1039137828 /nfs/dbraw/zinc/13/78/28/1039137828.db2.gz DDQDWSJXLIDTHC-UHFFFAOYSA-N 1 2 388.336 3.891 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416561 1039271146 /nfs/dbraw/zinc/27/11/46/1039271146.db2.gz MXUPFGNJDRTFPX-OKILXGFUSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416561 1039271154 /nfs/dbraw/zinc/27/11/54/1039271154.db2.gz MXUPFGNJDRTFPX-OKILXGFUSA-N 1 2 386.414 3.995 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc(Br)cc(F)c2O)C[C@@H]1c1ccccc1 ZINC001235065407 1040554170 /nfs/dbraw/zinc/55/41/70/1040554170.db2.gz PUXFJMBJLBORRK-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(Br)cc(F)c2O)C[C@@H]1c1ccccc1 ZINC001235065407 1040554187 /nfs/dbraw/zinc/55/41/87/1040554187.db2.gz PUXFJMBJLBORRK-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C[C@@H]1C ZINC001235074912 1040563951 /nfs/dbraw/zinc/56/39/51/1040563951.db2.gz IJQXCELVXCDZFP-RYUDHWBXSA-N 1 2 388.277 3.705 20 10 GHCDLO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C[C@@H]1C ZINC001235074912 1040563966 /nfs/dbraw/zinc/56/39/66/1040563966.db2.gz IJQXCELVXCDZFP-RYUDHWBXSA-N 1 2 388.277 3.705 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001235076222 1040565393 /nfs/dbraw/zinc/56/53/93/1040565393.db2.gz USHFNAVWGHRWEE-GJZGRUSLSA-N 1 2 391.284 3.862 20 10 GHCDLO Oc1c(Br)cc(F)cc1CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001235304260 1040777916 /nfs/dbraw/zinc/77/79/16/1040777916.db2.gz VSWIWFPXYPWZGU-UHFFFAOYSA-N 1 2 391.284 3.612 20 10 GHCDLO COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)c(O)cc1Br ZINC001236747717 1041870592 /nfs/dbraw/zinc/87/05/92/1041870592.db2.gz ROAHHESRXBXPBH-UHFFFAOYSA-N 1 2 395.272 3.625 20 10 GHCDLO Oc1cc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c(O)cc1Br ZINC001236774473 1041884158 /nfs/dbraw/zinc/88/41/58/1041884158.db2.gz DFRBHFUQIXUJHJ-HNNXBMFYSA-N 1 2 378.266 3.651 20 10 GHCDLO Oc1cc(C[N@H+]2CC[C@H]2COCc2ccccc2)c(O)cc1Br ZINC001236774473 1041884161 /nfs/dbraw/zinc/88/41/61/1041884161.db2.gz DFRBHFUQIXUJHJ-HNNXBMFYSA-N 1 2 378.266 3.651 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)c(O)c1Cl ZINC001236806811 1041907937 /nfs/dbraw/zinc/90/79/37/1041907937.db2.gz JKHLWKZUEQCPRL-UHFFFAOYSA-N 1 2 380.916 3.669 20 10 GHCDLO COc1ccc(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)c(O)c1Cl ZINC001236806811 1041907938 /nfs/dbraw/zinc/90/79/38/1041907938.db2.gz JKHLWKZUEQCPRL-UHFFFAOYSA-N 1 2 380.916 3.669 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c(O)c1Cl ZINC001236810313 1041910442 /nfs/dbraw/zinc/91/04/42/1041910442.db2.gz SMAAOCVYSGXXAP-CQSZACIVSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c(Br)c1 ZINC001237069089 1042019288 /nfs/dbraw/zinc/01/92/88/1042019288.db2.gz YNPVSMRFLZOUIP-GFCCVEGCSA-N 1 2 382.298 3.887 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[NH+]1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001237121457 1042050054 /nfs/dbraw/zinc/05/00/54/1042050054.db2.gz OAAZTLYIPNZQNN-UHFFFAOYSA-N 1 2 389.780 3.921 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1c(O)ccc(F)c1Cl)C[C@@H]2COCC1CC1 ZINC001237125416 1042053112 /nfs/dbraw/zinc/05/31/12/1042053112.db2.gz ZDUGPIWPSUAFOW-CQSZACIVSA-N 1 2 393.890 3.927 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1c(O)ccc(F)c1Cl)C[C@@H]2COCC1CC1 ZINC001237125416 1042053114 /nfs/dbraw/zinc/05/31/14/1042053114.db2.gz ZDUGPIWPSUAFOW-CQSZACIVSA-N 1 2 393.890 3.927 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)c1ccccc1F ZINC001237623467 1042289400 /nfs/dbraw/zinc/28/94/00/1042289400.db2.gz NYDIUQQAOAERGH-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@]1(C)O ZINC001237784918 1042368723 /nfs/dbraw/zinc/36/87/23/1042368723.db2.gz ZIRDZYOHGKHYJH-OTYXRUKQSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@]1(C)O ZINC001237784918 1042368727 /nfs/dbraw/zinc/36/87/27/1042368727.db2.gz ZIRDZYOHGKHYJH-OTYXRUKQSA-N 1 2 382.220 3.766 20 10 GHCDLO O=C1CCC[C@H]2C[N@@H+](Cc3cc(Br)cc(C(F)(F)F)c3O)C[C@H]12 ZINC001237786678 1042369525 /nfs/dbraw/zinc/36/95/25/1042369525.db2.gz PAULCXNDEPZRIV-CABZTGNLSA-N 1 2 392.215 3.975 20 10 GHCDLO O=C1CCC[C@H]2C[N@H+](Cc3cc(Br)cc(C(F)(F)F)c3O)C[C@H]12 ZINC001237786678 1042369530 /nfs/dbraw/zinc/36/95/30/1042369530.db2.gz PAULCXNDEPZRIV-CABZTGNLSA-N 1 2 392.215 3.975 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237801833 1042377656 /nfs/dbraw/zinc/37/76/56/1042377656.db2.gz IVFIMNDOYYDYAF-NSHDSACASA-N 1 2 391.752 3.647 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237801833 1042377663 /nfs/dbraw/zinc/37/76/63/1042377663.db2.gz IVFIMNDOYYDYAF-NSHDSACASA-N 1 2 391.752 3.647 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]12 ZINC001237802609 1042378496 /nfs/dbraw/zinc/37/84/96/1042378496.db2.gz MNXSXFZWYJEHKJ-DIOULYMOSA-N 1 2 384.879 3.920 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]12 ZINC001237802609 1042378498 /nfs/dbraw/zinc/37/84/98/1042378498.db2.gz MNXSXFZWYJEHKJ-DIOULYMOSA-N 1 2 384.879 3.920 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001462616903 1070416199 /nfs/dbraw/zinc/41/61/99/1070416199.db2.gz GFWHXWIVMBMHTA-SECBINFHSA-N 1 2 375.753 3.983 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001462616903 1070416202 /nfs/dbraw/zinc/41/62/02/1070416202.db2.gz GFWHXWIVMBMHTA-SECBINFHSA-N 1 2 375.753 3.983 20 10 GHCDLO CC(C)n1nc(C[NH+](C)C)c2c1CN(Cc1cc(F)c(Cl)cc1O)CC2 ZINC001237938541 1042429288 /nfs/dbraw/zinc/42/92/88/1042429288.db2.gz KBMXLQCYQWKGAJ-UHFFFAOYSA-N 1 2 380.895 3.582 20 10 GHCDLO COc1cccc(C(=O)NC2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)c1 ZINC001237939927 1042430433 /nfs/dbraw/zinc/43/04/33/1042430433.db2.gz HYXIJNKPHITCLR-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO COc1c(Cl)ccc(F)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001238340833 1042562891 /nfs/dbraw/zinc/56/28/91/1042562891.db2.gz JGGUVARIMDEFDY-UHFFFAOYSA-N 1 2 378.875 3.956 20 10 GHCDLO COc1c(Cl)ccc(F)c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001238340833 1042562893 /nfs/dbraw/zinc/56/28/93/1042562893.db2.gz JGGUVARIMDEFDY-UHFFFAOYSA-N 1 2 378.875 3.956 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC(C)C)cc3F)CC2)c(OC)c1 ZINC001238448189 1042599310 /nfs/dbraw/zinc/59/93/10/1042599310.db2.gz MQEGFCWUOPTMPT-UHFFFAOYSA-N 1 2 388.483 3.952 20 10 GHCDLO Cc1ncsc1C[NH+]1CC2(CN(Cc3cc(Cl)c(Cl)cc3O)C2)C1 ZINC001279664206 1047903555 /nfs/dbraw/zinc/90/35/55/1047903555.db2.gz WUFPLDQJLIYQLF-UHFFFAOYSA-N 1 2 384.332 3.782 20 10 GHCDLO CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001279665258 1047905178 /nfs/dbraw/zinc/90/51/78/1047905178.db2.gz KAERVEFGSPVNOP-IRXDYDNUSA-N 1 2 395.334 3.764 20 10 GHCDLO CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001279665258 1047905183 /nfs/dbraw/zinc/90/51/83/1047905183.db2.gz KAERVEFGSPVNOP-IRXDYDNUSA-N 1 2 395.334 3.764 20 10 GHCDLO C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@@H+]1CCC[C@@H](C)CC1 ZINC001307439904 1049275198 /nfs/dbraw/zinc/27/51/98/1049275198.db2.gz CHOMKCOLHLCABM-CVEARBPZSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@H+]1CCC[C@@H](C)CC1 ZINC001307439904 1049275216 /nfs/dbraw/zinc/27/52/16/1049275216.db2.gz CHOMKCOLHLCABM-CVEARBPZSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@@H](C[N@H+](C)Cc1cc(Br)cc(F)c1O)C(=O)OC(C)(C)C ZINC001308810878 1050103937 /nfs/dbraw/zinc/10/39/37/1050103937.db2.gz LIHOBIOZXVFTTO-JTQLQIEISA-N 1 2 376.266 3.703 20 10 GHCDLO C[C@@H](C[N@@H+](C)Cc1cc(Br)cc(F)c1O)C(=O)OC(C)(C)C ZINC001308810878 1050103944 /nfs/dbraw/zinc/10/39/44/1050103944.db2.gz LIHOBIOZXVFTTO-JTQLQIEISA-N 1 2 376.266 3.703 20 10 GHCDLO Clc1ccc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)s1 ZINC001319711997 1055416874 /nfs/dbraw/zinc/41/68/74/1055416874.db2.gz NYGMQHNDRJHXJS-KRWDZBQOSA-N 1 2 378.925 3.812 20 10 GHCDLO Clc1ccc([C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)s1 ZINC001319711997 1055416883 /nfs/dbraw/zinc/41/68/83/1055416883.db2.gz NYGMQHNDRJHXJS-KRWDZBQOSA-N 1 2 378.925 3.812 20 10 GHCDLO CN(Cc1cccs1)c1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000848563617 1057181828 /nfs/dbraw/zinc/18/18/28/1057181828.db2.gz WZOYZNDBMSYMJO-SFHVURJKSA-N 1 2 383.521 3.644 20 10 GHCDLO Cc1cc(CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccc1 ZINC001446011155 1059677356 /nfs/dbraw/zinc/67/73/56/1059677356.db2.gz BZZHREKAIZPTEA-JTSKRJEESA-N 1 2 376.504 3.943 20 10 GHCDLO CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC001460735095 1069142191 /nfs/dbraw/zinc/14/21/91/1069142191.db2.gz LDJFRKMTEGNETJ-UHFFFAOYSA-N 1 2 376.464 3.874 20 10 GHCDLO COc1cccc(CC[NH2+]Cc2cc(Br)cc(F)c2O)c1OC ZINC001473940201 1074211953 /nfs/dbraw/zinc/21/19/53/1074211953.db2.gz RYPLGGGMFOFYBK-UHFFFAOYSA-N 1 2 384.245 3.643 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1O ZINC000177241300 836164433 /nfs/dbraw/zinc/16/44/33/836164433.db2.gz MZMGCKZEFLMGFA-UHFFFAOYSA-N 1 2 386.879 3.643 20 10 GHCDLO CN(C)c1cc(F)c(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)cc1F ZINC001203403637 842998751 /nfs/dbraw/zinc/99/87/51/842998751.db2.gz VQLUBOWOGCRFKP-UHFFFAOYSA-N 1 2 388.384 3.872 20 10 GHCDLO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000729444229 851205203 /nfs/dbraw/zinc/20/52/03/851205203.db2.gz IHNJVKONYZHYKH-JKSUJKDBSA-N 1 2 389.927 3.587 20 10 GHCDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000765881769 855886988 /nfs/dbraw/zinc/88/69/88/855886988.db2.gz PJDQEZLQNQKRAY-QGZVFWFLSA-N 1 2 398.576 3.719 20 10 GHCDLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)c(C)n1-c1cccc(Br)c1 ZINC000172990348 860187855 /nfs/dbraw/zinc/18/78/55/860187855.db2.gz VUHWSRIRIHTUDN-UHFFFAOYSA-N 1 2 387.281 3.552 20 10 GHCDLO Oc1c(I)cccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC001237776192 864271753 /nfs/dbraw/zinc/27/17/53/864271753.db2.gz IVRLPDAQHXZQJD-UHFFFAOYSA-N 1 2 385.167 3.771 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)cc(Cl)c1O ZINC000858603497 883226427 /nfs/dbraw/zinc/22/64/27/883226427.db2.gz VQKVIYHASZTSAB-OTYXRUKQSA-N 1 2 387.705 3.612 20 10 GHCDLO CN(c1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1)C1CCCCC1 ZINC000302914387 865988466 /nfs/dbraw/zinc/98/84/66/865988466.db2.gz VAZMYWXBOSXCSE-UHFFFAOYSA-N 1 2 381.524 3.694 20 10 GHCDLO CN(c1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1)C1CCCCC1 ZINC000302914387 865988477 /nfs/dbraw/zinc/98/84/77/865988477.db2.gz VAZMYWXBOSXCSE-UHFFFAOYSA-N 1 2 381.524 3.694 20 10 GHCDLO COc1cc(N2CC[NH+]([C@H](C)c3c(F)cccc3F)CC2)cc(OC)c1OC ZINC000183698179 867291204 /nfs/dbraw/zinc/29/12/04/867291204.db2.gz BMNPIACTLSJMDB-CQSZACIVSA-N 1 2 392.446 3.874 20 10 GHCDLO C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3cccc(Cl)c3O)c2)C1=O ZINC000793607686 882318773 /nfs/dbraw/zinc/31/87/73/882318773.db2.gz TVOMPBHQQXOHPI-NRFANRHFSA-N 1 2 399.878 3.560 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001137910953 870718291 /nfs/dbraw/zinc/71/82/91/870718291.db2.gz XZEOBHVZVZGKML-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO COc1ccc(Br)c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001137910953 870718326 /nfs/dbraw/zinc/71/83/26/870718326.db2.gz XZEOBHVZVZGKML-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO CC(=O)N(C)C1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)CC1 ZINC000103470183 872027641 /nfs/dbraw/zinc/02/76/41/872027641.db2.gz OPBVRXNTRJLCIC-UHFFFAOYSA-N 1 2 395.547 3.836 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)c1ccc(F)cc1 ZINC000775650347 872351409 /nfs/dbraw/zinc/35/14/09/872351409.db2.gz YPEASUUKGAMDMI-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000775653663 872368457 /nfs/dbraw/zinc/36/84/57/872368457.db2.gz MBZYGIAJKCLCAK-ZDUSSCGKSA-N 1 2 377.847 3.739 20 10 GHCDLO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000775653663 872368476 /nfs/dbraw/zinc/36/84/76/872368476.db2.gz MBZYGIAJKCLCAK-ZDUSSCGKSA-N 1 2 377.847 3.739 20 10 GHCDLO C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000775665718 872510917 /nfs/dbraw/zinc/51/09/17/872510917.db2.gz WJZIJLVSSNTDKV-UHFFFAOYSA-N 1 2 377.891 3.719 20 10 GHCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000775665718 872510930 /nfs/dbraw/zinc/51/09/30/872510930.db2.gz WJZIJLVSSNTDKV-UHFFFAOYSA-N 1 2 377.891 3.719 20 10 GHCDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775668358 872562665 /nfs/dbraw/zinc/56/26/65/872562665.db2.gz XIVJHEQJWJDWNH-HNNXBMFYSA-N 1 2 381.810 3.720 20 10 GHCDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775668358 872562676 /nfs/dbraw/zinc/56/26/76/872562676.db2.gz XIVJHEQJWJDWNH-HNNXBMFYSA-N 1 2 381.810 3.720 20 10 GHCDLO O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768251395 873191016 /nfs/dbraw/zinc/19/10/16/873191016.db2.gz DKKQIPYWGVAVJT-UHFFFAOYSA-N 1 2 381.495 3.774 20 10 GHCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(Cl)c(Cl)c3)C1)[C@H](O)CO2 ZINC000768452744 873312598 /nfs/dbraw/zinc/31/25/98/873312598.db2.gz SEEKNOMGYROWGT-IEBWSBKVSA-N 1 2 396.270 3.698 20 10 GHCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(Cl)c(Cl)c3)C1)[C@H](O)CO2 ZINC000768452744 873312616 /nfs/dbraw/zinc/31/26/16/873312616.db2.gz SEEKNOMGYROWGT-IEBWSBKVSA-N 1 2 396.270 3.698 20 10 GHCDLO O=S(=O)(NC1CC[NH+](CCF)CC1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197188281 873622038 /nfs/dbraw/zinc/62/20/38/873622038.db2.gz URVANRZHOQZURB-QURGRASLSA-N 1 2 390.484 3.814 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(Br)c(F)cc1O ZINC000528005042 873876033 /nfs/dbraw/zinc/87/60/33/873876033.db2.gz SHHHHCCRZFRMIR-QFYYESIMSA-N 1 2 393.256 3.771 20 10 GHCDLO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000775830776 874273222 /nfs/dbraw/zinc/27/32/22/874273222.db2.gz CAURVSFZLGAJDX-SFHVURJKSA-N 1 2 378.875 3.754 20 10 GHCDLO CC(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000771060826 875016145 /nfs/dbraw/zinc/01/61/45/875016145.db2.gz ZEWQNNJBWKPSFO-OAHLLOKOSA-N 1 2 392.908 3.704 20 10 GHCDLO CC(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000771060826 875016155 /nfs/dbraw/zinc/01/61/55/875016155.db2.gz ZEWQNNJBWKPSFO-OAHLLOKOSA-N 1 2 392.908 3.704 20 10 GHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000776173725 875691623 /nfs/dbraw/zinc/69/16/23/875691623.db2.gz HTTHQBIQHASVSX-UHFFFAOYSA-N 1 2 393.672 3.679 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)cc(F)c1O ZINC000850558317 877025793 /nfs/dbraw/zinc/02/57/93/877025793.db2.gz PYCIYAUKSIDSHZ-WDEREUQCSA-N 1 2 387.293 3.591 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1O ZINC000787996243 877765569 /nfs/dbraw/zinc/76/55/69/877765569.db2.gz VVTNWGJKPMAVRU-OAQYLSRUSA-N 1 2 392.471 3.709 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1O ZINC000787996243 877765573 /nfs/dbraw/zinc/76/55/73/877765573.db2.gz VVTNWGJKPMAVRU-OAQYLSRUSA-N 1 2 392.471 3.709 20 10 GHCDLO CCOc1cccc(C[NH2+][C@@H](C[C@H]2CCCc3ccccc32)C(=O)OC)c1O ZINC000789582829 879081049 /nfs/dbraw/zinc/08/10/49/879081049.db2.gz ZOONGDGNJDFIAC-XLIONFOSSA-N 1 2 383.488 3.932 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)cc(Cl)c1O ZINC000858603498 883226286 /nfs/dbraw/zinc/22/62/86/883226286.db2.gz VQKVIYHASZTSAB-XPTSAGLGSA-N 1 2 387.705 3.612 20 10 GHCDLO Cc1cc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)c(C)n1-c1ccccc1 ZINC000858802231 883366635 /nfs/dbraw/zinc/36/66/35/883366635.db2.gz FXIFFOPFYLIDIY-RBUKOAKNSA-N 1 2 391.519 3.703 20 10 GHCDLO Cc1cc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)c(C)n1-c1ccccc1 ZINC000858802231 883366651 /nfs/dbraw/zinc/36/66/51/883366651.db2.gz FXIFFOPFYLIDIY-RBUKOAKNSA-N 1 2 391.519 3.703 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C)n1-c1cccc(C)c1 ZINC000859885917 884148269 /nfs/dbraw/zinc/14/82/69/884148269.db2.gz XHHAFZLFELFRDT-JVAFGIKQSA-N 1 2 384.545 3.571 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C)n1-c1cccc(C)c1 ZINC000859885917 884148276 /nfs/dbraw/zinc/14/82/76/884148276.db2.gz XHHAFZLFELFRDT-JVAFGIKQSA-N 1 2 384.545 3.571 20 10 GHCDLO CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000806181667 884424106 /nfs/dbraw/zinc/42/41/06/884424106.db2.gz GSCUWVSIWIVLGN-AWEZNQCLSA-N 1 2 386.452 3.754 20 10 GHCDLO O=C(CCC[NH+]1CCN(Cc2cc(F)c(F)cc2O)CC1)c1ccc(F)cc1 ZINC001142534599 884603324 /nfs/dbraw/zinc/60/33/24/884603324.db2.gz PHWIFOVLYTYJQV-UHFFFAOYSA-N 1 2 392.421 3.590 20 10 GHCDLO CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1O)Cc1ccccc1Cl ZINC000806793661 884988556 /nfs/dbraw/zinc/98/85/56/884988556.db2.gz UDSFBEYBRIFZGV-AWEZNQCLSA-N 1 2 376.884 3.754 20 10 GHCDLO CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1O)Cc1ccccc1Cl ZINC000806793661 884988574 /nfs/dbraw/zinc/98/85/74/884988574.db2.gz UDSFBEYBRIFZGV-AWEZNQCLSA-N 1 2 376.884 3.754 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC000762927389 887116058 /nfs/dbraw/zinc/11/60/58/887116058.db2.gz GXDKKBPSAIMTBT-UHFFFAOYSA-N 1 2 377.891 3.636 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC000762927389 887116067 /nfs/dbraw/zinc/11/60/67/887116067.db2.gz GXDKKBPSAIMTBT-UHFFFAOYSA-N 1 2 377.891 3.636 20 10 GHCDLO CC[C@H](C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O)OC ZINC000810260374 888325119 /nfs/dbraw/zinc/32/51/19/888325119.db2.gz KAEKDKOBKWRMOQ-PSASIEDQSA-N 1 2 381.108 3.993 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cc(C)ccc3C)CC2)cc1F ZINC000122005807 889300614 /nfs/dbraw/zinc/30/06/14/889300614.db2.gz YNXPIVOJCRENKZ-QGZVFWFLSA-N 1 2 385.483 3.600 20 10 GHCDLO CCNC(=O)COc1cccc(C[NH2+][C@@H](CC)c2cccc(Cl)c2O)c1 ZINC000287615145 913446082 /nfs/dbraw/zinc/44/60/82/913446082.db2.gz JMCMLYJBAUQBDY-SFHVURJKSA-N 1 2 376.884 3.801 20 10 GHCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Br)c(F)c1 ZINC000814177432 892342811 /nfs/dbraw/zinc/34/28/11/892342811.db2.gz BUYYGGXVIBUBQY-AWEZNQCLSA-N 1 2 392.627 3.910 20 10 GHCDLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876726353 893302501 /nfs/dbraw/zinc/30/25/01/893302501.db2.gz ZAZQGVFPKJSMKD-UHFFFAOYSA-N 1 2 390.531 3.525 20 10 GHCDLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876726353 893302520 /nfs/dbraw/zinc/30/25/20/893302520.db2.gz ZAZQGVFPKJSMKD-UHFFFAOYSA-N 1 2 390.531 3.525 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000918202231 893351259 /nfs/dbraw/zinc/35/12/59/893351259.db2.gz XAPNBIRYRACHCD-UHFFFAOYSA-N 1 2 391.519 3.777 20 10 GHCDLO CO[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O)C1CC1 ZINC000815650854 894096056 /nfs/dbraw/zinc/09/60/56/894096056.db2.gz CUSBTOAAHPCIIM-ISVAXAHUSA-N 1 2 393.119 3.993 20 10 GHCDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816496237 894862800 /nfs/dbraw/zinc/86/28/00/894862800.db2.gz BIDPIONSCQJXGT-UHFFFAOYSA-N 1 2 377.847 3.971 20 10 GHCDLO CCC[NH2+]CC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817962240 895978393 /nfs/dbraw/zinc/97/83/93/895978393.db2.gz JUVISEIGISLLIP-SECBINFHSA-N 1 2 380.124 3.567 20 10 GHCDLO COCCOc1ccccc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882912676 897101858 /nfs/dbraw/zinc/10/18/58/897101858.db2.gz ZUHLCUXITMOPNC-UHFFFAOYSA-N 1 2 384.245 3.609 20 10 GHCDLO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3cccnc3Cl)cc2F)CC1 ZINC000155275221 898551053 /nfs/dbraw/zinc/55/10/53/898551053.db2.gz LLCQBKYZDKYXKV-OAHLLOKOSA-N 1 2 376.907 3.867 20 10 GHCDLO CO[C@H]([C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000825098356 899951906 /nfs/dbraw/zinc/95/19/06/899951906.db2.gz HKJKJGMZWUKBHC-XLKFXECMSA-N 1 2 393.119 3.820 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC000844402498 900800442 /nfs/dbraw/zinc/80/04/42/900800442.db2.gz ZWSZZWOSJPAYKA-UHFFFAOYSA-N 1 2 386.521 3.591 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC000844402498 900800449 /nfs/dbraw/zinc/80/04/49/900800449.db2.gz ZWSZZWOSJPAYKA-UHFFFAOYSA-N 1 2 386.521 3.591 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(Br)cc(F)c1O ZINC000886763817 901259729 /nfs/dbraw/zinc/25/97/29/901259729.db2.gz GEHLBKOJAGCMQG-WYFUGZQLSA-N 1 2 388.277 3.671 20 10 GHCDLO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1cc(Br)c(F)cc1O)C2 ZINC001144299815 901652249 /nfs/dbraw/zinc/65/22/49/901652249.db2.gz JJOLHRZGYSDBNB-GOSISDBHSA-N 1 2 399.304 3.517 20 10 GHCDLO CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1cc(Br)c(F)cc1O)C2 ZINC001144299815 901652263 /nfs/dbraw/zinc/65/22/63/901652263.db2.gz JJOLHRZGYSDBNB-GOSISDBHSA-N 1 2 399.304 3.517 20 10 GHCDLO CCCCN(Cc1ccccc1O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000801547999 921121327 /nfs/dbraw/zinc/12/13/27/921121327.db2.gz INXAXBIRHPZIQY-UHFFFAOYSA-N 1 2 394.431 3.929 20 10 GHCDLO CCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000779075573 903920159 /nfs/dbraw/zinc/92/01/59/903920159.db2.gz YSCSSKMTIFASCY-DTWKUNHWSA-N 1 2 381.108 3.993 20 10 GHCDLO CCOC(=O)C[N@H+](CCOc1cccc2ccccc21)Cc1ccccc1O ZINC001171389959 904466165 /nfs/dbraw/zinc/46/61/65/904466165.db2.gz FESSJHUIKGYLLR-UHFFFAOYSA-N 1 2 379.456 3.990 20 10 GHCDLO CCOC(=O)C[N@@H+](CCOc1cccc2ccccc21)Cc1ccccc1O ZINC001171389959 904466172 /nfs/dbraw/zinc/46/61/72/904466172.db2.gz FESSJHUIKGYLLR-UHFFFAOYSA-N 1 2 379.456 3.990 20 10 GHCDLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000773248423 904612212 /nfs/dbraw/zinc/61/22/12/904612212.db2.gz ZLECCUNAXXUAMS-HNNXBMFYSA-N 1 2 381.455 3.638 20 10 GHCDLO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000779611924 907883866 /nfs/dbraw/zinc/88/38/66/907883866.db2.gz PZODKJCNVKJFTH-OAQYLSRUSA-N 1 2 393.487 3.777 20 10 GHCDLO COc1ccc(O)c(C[N@H+]2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000779611924 907883877 /nfs/dbraw/zinc/88/38/77/907883877.db2.gz PZODKJCNVKJFTH-OAQYLSRUSA-N 1 2 393.487 3.777 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001177166394 908415358 /nfs/dbraw/zinc/41/53/58/908415358.db2.gz PCXWBXPMDJHJCB-GFCCVEGCSA-N 1 2 384.657 3.738 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@H](O)Cc1ccccc1 ZINC001178249341 908951538 /nfs/dbraw/zinc/95/15/38/908951538.db2.gz NHWZKOIWRUVJON-BDJLRTHQSA-N 1 2 384.701 3.890 20 10 GHCDLO C[C@@H](c1nnc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000195507174 909005284 /nfs/dbraw/zinc/00/52/84/909005284.db2.gz HQZLROACGPJDEY-VIFPVBQESA-N 1 2 394.457 3.545 20 10 GHCDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773809223 909440367 /nfs/dbraw/zinc/44/03/67/909440367.db2.gz MWBCXDXTUWOXIR-HKUYNNGSSA-N 1 2 391.874 3.819 20 10 GHCDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773809223 909440382 /nfs/dbraw/zinc/44/03/82/909440382.db2.gz MWBCXDXTUWOXIR-HKUYNNGSSA-N 1 2 391.874 3.819 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001179252936 909442307 /nfs/dbraw/zinc/44/23/07/909442307.db2.gz LSPBIKGXQVKAGC-UHFFFAOYSA-N 1 2 390.155 3.905 20 10 GHCDLO CC(=O)c1ccc(N2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)c(F)c1 ZINC001180453165 910176745 /nfs/dbraw/zinc/17/67/45/910176745.db2.gz VLONMLFAAIFJJL-SNAWJCMRSA-N 1 2 381.495 3.930 20 10 GHCDLO COC(=O)c1c(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c2cc(F)ccc2n1C ZINC001180812434 910380803 /nfs/dbraw/zinc/38/08/03/910380803.db2.gz ZQVQUVJWMUIFPT-CQSZACIVSA-N 1 2 382.435 3.887 20 10 GHCDLO COC(=O)c1c(C[N@H+]2Cc3ccccc3OC[C@H]2C)c2cc(F)ccc2n1C ZINC001180812434 910380821 /nfs/dbraw/zinc/38/08/21/910380821.db2.gz ZQVQUVJWMUIFPT-CQSZACIVSA-N 1 2 382.435 3.887 20 10 GHCDLO CCCc1cccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000773899524 910525447 /nfs/dbraw/zinc/52/54/47/910525447.db2.gz OUKXVEUKUMMNFE-SDXDJHTJSA-N 1 2 390.574 3.563 20 10 GHCDLO C[C@@H]1CN(c2ccc(NCc3ccc(Br)cc3O)c[nH+]2)C[C@@H](C)O1 ZINC001181350455 910720167 /nfs/dbraw/zinc/72/01/67/910720167.db2.gz SAQIWBQJAUGUAG-CHWSQXEVSA-N 1 2 392.297 3.775 20 10 GHCDLO Cc1ccc([C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000294720768 916946221 /nfs/dbraw/zinc/94/62/21/916946221.db2.gz PJERKQCAUCWFEM-KPZWWZAWSA-N 1 2 385.888 3.757 20 10 GHCDLO Cc1ccc([C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000294720773 916946925 /nfs/dbraw/zinc/94/69/25/916946925.db2.gz PJERKQCAUCWFEM-KZULUSFZSA-N 1 2 385.888 3.757 20 10 GHCDLO CCN(C(=O)Cc1ccc(N)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000364848574 920079882 /nfs/dbraw/zinc/07/98/82/920079882.db2.gz AUUGVRSDXQTAAW-UHFFFAOYSA-N 1 2 395.551 3.551 20 10 GHCDLO COc1ccc(O)c(C[N@H+](CCNC(C)=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000800533841 920249614 /nfs/dbraw/zinc/24/96/14/920249614.db2.gz SVXCUDGWBROROP-UHFFFAOYSA-N 1 2 397.302 3.846 20 10 GHCDLO COc1ccc(O)c(C[N@@H+](CCNC(C)=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000800533841 920249626 /nfs/dbraw/zinc/24/96/26/920249626.db2.gz SVXCUDGWBROROP-UHFFFAOYSA-N 1 2 397.302 3.846 20 10 GHCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000365001653 920287125 /nfs/dbraw/zinc/28/71/25/920287125.db2.gz QTKMRBKLOBBULO-PXNSSMCTSA-N 1 2 375.472 3.941 20 10 GHCDLO C[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(N2CCOCC2)cc1Cl ZINC000903223124 922867841 /nfs/dbraw/zinc/86/78/41/922867841.db2.gz VGYCYJGDLDEKAH-CQSZACIVSA-N 1 2 394.972 3.546 20 10 GHCDLO FC(F)(F)Oc1ccc(N2CC[NH+](Cc3n[nH]c4ccccc43)CC2)cc1 ZINC001137353866 924951755 /nfs/dbraw/zinc/95/17/55/924951755.db2.gz YQLMVYJXKNJKHH-UHFFFAOYSA-N 1 2 376.382 3.784 20 10 GHCDLO CCN(CC)C(=O)C1CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000133121779 926079715 /nfs/dbraw/zinc/07/97/15/926079715.db2.gz GOXONMLFXDQSHN-UHFFFAOYSA-N 1 2 395.547 3.857 20 10 GHCDLO CCN(CC)c1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000758298600 930005012 /nfs/dbraw/zinc/00/50/12/930005012.db2.gz HNZHJAOIIQWYJB-UHFFFAOYSA-N 1 2 380.941 3.880 20 10 GHCDLO O=C1NCC[N@@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000758376782 930026383 /nfs/dbraw/zinc/02/63/83/930026383.db2.gz PKVTYCDXQNWUHS-LJQANCHMSA-N 1 2 390.405 3.573 20 10 GHCDLO O=C1NCC[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000758376782 930026386 /nfs/dbraw/zinc/02/63/86/930026386.db2.gz PKVTYCDXQNWUHS-LJQANCHMSA-N 1 2 390.405 3.573 20 10 GHCDLO Cc1cc(C)c(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000758376985 930026769 /nfs/dbraw/zinc/02/67/69/930026769.db2.gz RBLRGEYSOJKMPN-KRWDZBQOSA-N 1 2 378.394 3.701 20 10 GHCDLO Cc1cc(C)c(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000758376985 930026776 /nfs/dbraw/zinc/02/67/76/930026776.db2.gz RBLRGEYSOJKMPN-KRWDZBQOSA-N 1 2 378.394 3.701 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001137834823 935814177 /nfs/dbraw/zinc/81/41/77/935814177.db2.gz VEGXJKWJKCWIQZ-HTAPYJJXSA-N 1 2 386.467 3.514 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001137834823 935814178 /nfs/dbraw/zinc/81/41/78/935814178.db2.gz VEGXJKWJKCWIQZ-HTAPYJJXSA-N 1 2 386.467 3.514 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC001204285258 1032728352 /nfs/dbraw/zinc/72/83/52/1032728352.db2.gz SLFKYRQWAKLYCJ-UHFFFAOYSA-N 1 2 378.875 3.827 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Br)c(F)cc1O ZINC000834896670 1021640895 /nfs/dbraw/zinc/64/08/95/1021640895.db2.gz MLRYDPKKLMXHOC-PSVSLLHZSA-N 1 2 398.276 3.598 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(Br)cc(Br)c1O ZINC000834906303 1021662664 /nfs/dbraw/zinc/66/26/64/1021662664.db2.gz OOZWRESEQDDBMY-AMIZOPFISA-N 1 2 393.119 3.729 20 10 GHCDLO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834909598 1021667499 /nfs/dbraw/zinc/66/74/99/1021667499.db2.gz AXBDUFQTJWEZIZ-ONGXEEELSA-N 1 2 396.260 3.675 20 10 GHCDLO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3ccc(Cl)cc3O)[C@@H](C)C2)cc1 ZINC001140467516 1021762310 /nfs/dbraw/zinc/76/23/10/1021762310.db2.gz WGSCKYICEFMXAC-HNNXBMFYSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(C[N@H+]2CCN(Cc3ccc(Cl)cc3O)[C@@H](C)C2)cc1 ZINC001140467516 1021762327 /nfs/dbraw/zinc/76/23/27/1021762327.db2.gz WGSCKYICEFMXAC-HNNXBMFYSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@H+](Cc3ccc(Cl)cc3O)[C@@H](C)C2)cc1 ZINC001140467516 1021762347 /nfs/dbraw/zinc/76/23/47/1021762347.db2.gz WGSCKYICEFMXAC-HNNXBMFYSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@@H+](Cc3ccc(Cl)cc3O)[C@@H](C)C2)cc1 ZINC001140467516 1021762360 /nfs/dbraw/zinc/76/23/60/1021762360.db2.gz WGSCKYICEFMXAC-HNNXBMFYSA-N 1 2 388.895 3.539 20 10 GHCDLO C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N1CCN(c2ccccc2)CC1 ZINC000756412623 1023634382 /nfs/dbraw/zinc/63/43/82/1023634382.db2.gz VEMZJVMFUUKNQQ-HOTGVXAUSA-N 1 2 375.463 3.532 20 10 GHCDLO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cc(Br)c(F)cc1O ZINC000756440026 1023650709 /nfs/dbraw/zinc/65/07/09/1023650709.db2.gz BZERVOPSOIGANB-NSHDSACASA-N 1 2 387.293 3.783 20 10 GHCDLO C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000756474961 1023674505 /nfs/dbraw/zinc/67/45/05/1023674505.db2.gz FEGIKXIFACOKSH-OAHLLOKOSA-N 1 2 388.458 3.945 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)cc(F)c1O ZINC000756503784 1023687242 /nfs/dbraw/zinc/68/72/42/1023687242.db2.gz PPBDVFSHYHSKMD-SCZZXKLOSA-N 1 2 385.199 3.581 20 10 GHCDLO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Br)cc(F)c1O ZINC000756503761 1023687491 /nfs/dbraw/zinc/68/74/91/1023687491.db2.gz PJVUYBIXWPUJCN-SECBINFHSA-N 1 2 381.236 3.674 20 10 GHCDLO C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(Br)c(F)cc1O ZINC000756571651 1023717431 /nfs/dbraw/zinc/71/74/31/1023717431.db2.gz CMTJOGLBTMZVDP-NSHDSACASA-N 1 2 387.293 3.593 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)cc(F)c1O ZINC000756582355 1023720796 /nfs/dbraw/zinc/72/07/96/1023720796.db2.gz HORGAOJNCLBCTO-GVXVVHGQSA-N 1 2 387.293 3.591 20 10 GHCDLO Cc1cc(CCNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC000756655907 1023757378 /nfs/dbraw/zinc/75/73/78/1023757378.db2.gz DMQSVBKPKZDESA-HXUWFJFHSA-N 1 2 391.519 3.569 20 10 GHCDLO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(F)c1O ZINC000756707602 1023782792 /nfs/dbraw/zinc/78/27/92/1023782792.db2.gz LGPAQOILZBJQHS-JTQLQIEISA-N 1 2 399.216 3.932 20 10 GHCDLO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756713181 1023784886 /nfs/dbraw/zinc/78/48/86/1023784886.db2.gz VWKWQEAQEYGLMG-BONVTDFDSA-N 1 2 384.245 3.687 20 10 GHCDLO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000756776036 1023811515 /nfs/dbraw/zinc/81/15/15/1023811515.db2.gz UQGYZDSIFCYIFT-MFKMUULPSA-N 1 2 396.256 3.957 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141144251 1023962480 /nfs/dbraw/zinc/96/24/80/1023962480.db2.gz XFHOPKGNJLXKFH-UHFFFAOYSA-N 1 2 377.488 3.574 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141144251 1023962483 /nfs/dbraw/zinc/96/24/83/1023962483.db2.gz XFHOPKGNJLXKFH-UHFFFAOYSA-N 1 2 377.488 3.574 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(Cl)c3)CC2)c(OC)c1 ZINC001138476812 1024905768 /nfs/dbraw/zinc/90/57/68/1024905768.db2.gz WBBUCEVNCJWWFK-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO Fc1cc(C[NH2+]Cc2coc(-c3ccccc3)n2)cc(F)c1N1CCOCC1 ZINC000839146603 1025642663 /nfs/dbraw/zinc/64/26/63/1025642663.db2.gz NSUZSGRKRGUEHQ-UHFFFAOYSA-N 1 2 385.414 3.746 20 10 GHCDLO Cc1ccc(C2(O)CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)cc1 ZINC001139126445 1025939340 /nfs/dbraw/zinc/93/93/40/1025939340.db2.gz HREMWBXQPDRYGO-UHFFFAOYSA-N 1 2 379.456 3.599 20 10 GHCDLO COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139133600 1025946369 /nfs/dbraw/zinc/94/63/69/1025946369.db2.gz IVIRDBQCTMEDMQ-MRXNPFEDSA-N 1 2 395.455 3.761 20 10 GHCDLO COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139133600 1025946374 /nfs/dbraw/zinc/94/63/74/1025946374.db2.gz IVIRDBQCTMEDMQ-MRXNPFEDSA-N 1 2 395.455 3.761 20 10 GHCDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839530209 1026016539 /nfs/dbraw/zinc/01/65/39/1026016539.db2.gz NPXMMQODGCUGPA-INIZCTEOSA-N 1 2 388.581 3.950 20 10 GHCDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839530209 1026016557 /nfs/dbraw/zinc/01/65/57/1026016557.db2.gz NPXMMQODGCUGPA-INIZCTEOSA-N 1 2 388.581 3.950 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000839915494 1026343850 /nfs/dbraw/zinc/34/38/50/1026343850.db2.gz FWCQTWZNRFZHCZ-SFHVURJKSA-N 1 2 376.504 3.667 20 10 GHCDLO Fc1cc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)ccn1 ZINC001139837837 1026656305 /nfs/dbraw/zinc/65/63/05/1026656305.db2.gz ZWNGZPPIHHIJDP-UHFFFAOYSA-N 1 2 378.451 3.517 20 10 GHCDLO Cn1c(CC[NH2+]Cc2cc(Br)cc(F)c2O)nc2c1cccc2F ZINC001461191249 1069434369 /nfs/dbraw/zinc/43/43/69/1069434369.db2.gz WHADLVRSKQCRGN-UHFFFAOYSA-N 1 2 396.235 3.652 20 10 GHCDLO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001203429058 1027331230 /nfs/dbraw/zinc/33/12/30/1027331230.db2.gz VTHAXIBENVFGPG-KCJUWKMLSA-N 1 2 381.108 3.556 20 10 GHCDLO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)cc1 ZINC000840809330 1027849125 /nfs/dbraw/zinc/84/91/25/1027849125.db2.gz RANJSICMJGFLPR-DGCLKSJQSA-N 1 2 398.272 3.729 20 10 GHCDLO COc1cc(OC)cc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)c2nccn2C)c1 ZINC000840936096 1027971556 /nfs/dbraw/zinc/97/15/56/1027971556.db2.gz GWMQQUSJBPRRCQ-JOCHJYFZSA-N 1 2 394.519 3.691 20 10 GHCDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CS1 ZINC000840957460 1027986589 /nfs/dbraw/zinc/98/65/89/1027986589.db2.gz BTBHSTQGUVHABG-OIBJUYFYSA-N 1 2 381.133 3.901 20 10 GHCDLO Oc1ccc(-c2nc(-c3cccc4ccoc43)no2)cc1C[NH+]1CCOCC1 ZINC001217056128 1030129001 /nfs/dbraw/zinc/12/90/01/1030129001.db2.gz FFGBDIARNXWXHS-UHFFFAOYSA-N 1 2 377.400 3.688 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC001461656475 1069661393 /nfs/dbraw/zinc/66/13/93/1069661393.db2.gz CUWWPUVLTQKFFL-CYBMUJFWSA-N 1 2 394.162 3.534 20 10 GHCDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(Br)c1O ZINC001276943801 1030872337 /nfs/dbraw/zinc/87/23/37/1030872337.db2.gz CLMHMUBFGCDOTD-HZPDHXFCSA-N 1 2 399.304 3.515 20 10 GHCDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(Br)c1O ZINC001276943801 1030872353 /nfs/dbraw/zinc/87/23/53/1030872353.db2.gz CLMHMUBFGCDOTD-HZPDHXFCSA-N 1 2 399.304 3.515 20 10 GHCDLO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388108 1033485910 /nfs/dbraw/zinc/48/59/10/1033485910.db2.gz SHULKAKURQLMFH-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388108 1033485919 /nfs/dbraw/zinc/48/59/19/1033485919.db2.gz SHULKAKURQLMFH-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO CC(=O)Nc1c(C)cc[nH+]c1N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001158871711 1034312929 /nfs/dbraw/zinc/31/29/29/1034312929.db2.gz OJNBHOLAAUYVKY-UHFFFAOYSA-N 1 2 394.397 3.574 20 10 GHCDLO CC1=CC(=O)C=C(OC[C@H]2C[N@H+](C)CCO2)C1=NNc1ccc([N+](=O)[O-])cc1 ZINC001231292416 1034505205 /nfs/dbraw/zinc/50/52/05/1034505205.db2.gz VWEYNRLMCXPSKW-SGRLSNSRSA-N 1 2 386.408 3.734 20 10 GHCDLO CC1=CC(=O)C=C(OC[C@H]2C[N@@H+](C)CCO2)C1=NNc1ccc([N+](=O)[O-])cc1 ZINC001231292416 1034505217 /nfs/dbraw/zinc/50/52/17/1034505217.db2.gz VWEYNRLMCXPSKW-SGRLSNSRSA-N 1 2 386.408 3.734 20 10 GHCDLO COc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(Br)cc1O ZINC001231473495 1034619123 /nfs/dbraw/zinc/61/91/23/1034619123.db2.gz ZYBPJRWTELVAGR-UHFFFAOYSA-N 1 2 394.265 3.523 20 10 GHCDLO COc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(Br)cc1O ZINC001231473495 1034619129 /nfs/dbraw/zinc/61/91/29/1034619129.db2.gz ZYBPJRWTELVAGR-UHFFFAOYSA-N 1 2 394.265 3.523 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c1O ZINC001231554900 1034708220 /nfs/dbraw/zinc/70/82/20/1034708220.db2.gz FJZNXNADMLKNEP-GFCCVEGCSA-N 1 2 382.298 3.887 20 10 GHCDLO COc1ccc(Br)c(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)c1O ZINC001231554900 1034708231 /nfs/dbraw/zinc/70/82/31/1034708231.db2.gz FJZNXNADMLKNEP-GFCCVEGCSA-N 1 2 382.298 3.887 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2nn(CC3CC3)cc21 ZINC001231851858 1034942622 /nfs/dbraw/zinc/94/26/22/1034942622.db2.gz NSFPCPRJIHZOBJ-LJQANCHMSA-N 1 2 398.551 3.504 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2nn(CC3CC3)cc21 ZINC001231851858 1034942625 /nfs/dbraw/zinc/94/26/25/1034942625.db2.gz NSFPCPRJIHZOBJ-LJQANCHMSA-N 1 2 398.551 3.504 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001231911193 1034985671 /nfs/dbraw/zinc/98/56/71/1034985671.db2.gz FQDQBFOSDVBYQD-SFHVURJKSA-N 1 2 394.853 3.573 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001231911193 1034985678 /nfs/dbraw/zinc/98/56/78/1034985678.db2.gz FQDQBFOSDVBYQD-SFHVURJKSA-N 1 2 394.853 3.573 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001231911168 1034986146 /nfs/dbraw/zinc/98/61/46/1034986146.db2.gz DUCTYANVRBZTGS-URLQWDBASA-N 1 2 394.924 3.698 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001231911168 1034986147 /nfs/dbraw/zinc/98/61/47/1034986147.db2.gz DUCTYANVRBZTGS-URLQWDBASA-N 1 2 394.924 3.698 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001231911983 1034986879 /nfs/dbraw/zinc/98/68/79/1034986879.db2.gz VBITYICEEJVHDJ-MISYRCLQSA-N 1 2 388.895 3.779 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001231911983 1034986884 /nfs/dbraw/zinc/98/68/84/1034986884.db2.gz VBITYICEEJVHDJ-MISYRCLQSA-N 1 2 388.895 3.779 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(Br)c3N)CC2)c(C)c1 ZINC001232529195 1038295308 /nfs/dbraw/zinc/29/53/08/1038295308.db2.gz SYUXVTUOUQXBLC-UHFFFAOYSA-N 1 2 390.325 3.671 20 10 GHCDLO OC[C@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001462272804 1070136658 /nfs/dbraw/zinc/13/66/58/1070136658.db2.gz FQEOUQCIHHHWSY-SFHVURJKSA-N 1 2 396.712 3.944 20 10 GHCDLO OC[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001462272804 1070136660 /nfs/dbraw/zinc/13/66/60/1070136660.db2.gz FQEOUQCIHHHWSY-SFHVURJKSA-N 1 2 396.712 3.944 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001232840917 1038591350 /nfs/dbraw/zinc/59/13/50/1038591350.db2.gz MTJDHQSQTCZSEK-FQEVSTJZSA-N 1 2 382.504 3.727 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001232840917 1038591353 /nfs/dbraw/zinc/59/13/53/1038591353.db2.gz MTJDHQSQTCZSEK-FQEVSTJZSA-N 1 2 382.504 3.727 20 10 GHCDLO Cc1ncc(F)cc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001232994435 1038755271 /nfs/dbraw/zinc/75/52/71/1038755271.db2.gz QWAVJVPQNUUZDG-UHFFFAOYSA-N 1 2 392.478 3.825 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)cc(Br)cc1F ZINC001233030442 1038781585 /nfs/dbraw/zinc/78/15/85/1038781585.db2.gz TWYCBJMVDJOUFQ-LBPRGKRZSA-N 1 2 388.277 3.990 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1c(O)cc(Br)cc1F ZINC001233030442 1038781600 /nfs/dbraw/zinc/78/16/00/1038781600.db2.gz TWYCBJMVDJOUFQ-LBPRGKRZSA-N 1 2 388.277 3.990 20 10 GHCDLO CC(=O)N1CCCCC12CC[NH+](Cc1c(O)cc(Br)cc1F)CC2 ZINC001233030841 1038783080 /nfs/dbraw/zinc/78/30/80/1038783080.db2.gz OYTQPGDEIFOYET-UHFFFAOYSA-N 1 2 399.304 3.661 20 10 GHCDLO COC(=O)c1cccc2c1C[N@H+](Cc1cc(Br)cc(C)c1O)CC2 ZINC001233111784 1038903366 /nfs/dbraw/zinc/90/33/66/1038903366.db2.gz XMFSWKDQCOQQAU-UHFFFAOYSA-N 1 2 390.277 3.808 20 10 GHCDLO COC(=O)c1cccc2c1C[N@@H+](Cc1cc(Br)cc(C)c1O)CC2 ZINC001233111784 1038903371 /nfs/dbraw/zinc/90/33/71/1038903371.db2.gz XMFSWKDQCOQQAU-UHFFFAOYSA-N 1 2 390.277 3.808 20 10 GHCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC001233334558 1039135741 /nfs/dbraw/zinc/13/57/41/1039135741.db2.gz LNHFRUWSUGYGMD-UHFFFAOYSA-N 1 2 397.263 3.751 20 10 GHCDLO Oc1c(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)cccc1C(F)(F)F ZINC001233417985 1039278305 /nfs/dbraw/zinc/27/83/05/1039278305.db2.gz PBQXOZDDPFROGV-UHFFFAOYSA-N 1 2 395.425 3.940 20 10 GHCDLO Oc1c(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)cccc1C(F)(F)F ZINC001233417985 1039278313 /nfs/dbraw/zinc/27/83/13/1039278313.db2.gz PBQXOZDDPFROGV-UHFFFAOYSA-N 1 2 395.425 3.940 20 10 GHCDLO COc1ccc(C[NH+]2CCN(Cc3cccc(OC(F)(F)F)c3O)CC2)cc1 ZINC001233755253 1039592540 /nfs/dbraw/zinc/59/25/40/1039592540.db2.gz SSTIQRNPIQKFMZ-UHFFFAOYSA-N 1 2 396.409 3.617 20 10 GHCDLO Cc1cccnc1N1CCC[N@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235065253 1040554741 /nfs/dbraw/zinc/55/47/41/1040554741.db2.gz NUOQEWYYRUZKHG-UHFFFAOYSA-N 1 2 394.288 3.710 20 10 GHCDLO Cc1cccnc1N1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235065253 1040554758 /nfs/dbraw/zinc/55/47/58/1040554758.db2.gz NUOQEWYYRUZKHG-UHFFFAOYSA-N 1 2 394.288 3.710 20 10 GHCDLO Oc1c(Br)cc(F)cc1CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001235302206 1040776313 /nfs/dbraw/zinc/77/63/13/1040776313.db2.gz KFDNUEMKYRXUSP-IRXDYDNUSA-N 1 2 391.284 3.753 20 10 GHCDLO Oc1c(Br)cc(F)cc1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001235302206 1040776321 /nfs/dbraw/zinc/77/63/21/1040776321.db2.gz KFDNUEMKYRXUSP-IRXDYDNUSA-N 1 2 391.284 3.753 20 10 GHCDLO COC(=O)c1cccc(C[N@H+](C)Cc2cc(F)cc(Br)c2O)c1 ZINC001235306649 1040782133 /nfs/dbraw/zinc/78/21/33/1040782133.db2.gz WONFXNNTYXDYKG-UHFFFAOYSA-N 1 2 382.229 3.712 20 10 GHCDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cc(F)cc(Br)c2O)c1 ZINC001235306649 1040782148 /nfs/dbraw/zinc/78/21/48/1040782148.db2.gz WONFXNNTYXDYKG-UHFFFAOYSA-N 1 2 382.229 3.712 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3c(C)cncc3Br)CC2)c(C)c1 ZINC001235650873 1041093654 /nfs/dbraw/zinc/09/36/54/1041093654.db2.gz PIUXGPXJPMDORP-UHFFFAOYSA-N 1 2 390.325 3.792 20 10 GHCDLO COc1cc(O)c(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC001236803363 1041905771 /nfs/dbraw/zinc/90/57/71/1041905771.db2.gz MTCSVOYORVJZOO-UHFFFAOYSA-N 1 2 378.875 3.901 20 10 GHCDLO COc1cc(O)c(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC001236803363 1041905775 /nfs/dbraw/zinc/90/57/75/1041905775.db2.gz MTCSVOYORVJZOO-UHFFFAOYSA-N 1 2 378.875 3.901 20 10 GHCDLO COc1cc(O)c(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)c(Cl)c1 ZINC001236806241 1041907271 /nfs/dbraw/zinc/90/72/71/1041907271.db2.gz RGVNGXFCGVDSPK-UHFFFAOYSA-N 1 2 386.879 3.505 20 10 GHCDLO COc1ccc(C[NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(O)c1Cl ZINC001236811084 1041911167 /nfs/dbraw/zinc/91/11/67/1041911167.db2.gz GLSIHKFYNGNSQJ-UHFFFAOYSA-N 1 2 382.888 3.543 20 10 GHCDLO C[N@H+](CC(=O)OCc1ccccc1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237062460 1042016101 /nfs/dbraw/zinc/01/61/01/1042016101.db2.gz OVSJLHWZEOCMCK-UHFFFAOYSA-N 1 2 383.366 3.509 20 10 GHCDLO C[N@@H+](CC(=O)OCc1ccccc1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237062460 1042016108 /nfs/dbraw/zinc/01/61/08/1042016108.db2.gz OVSJLHWZEOCMCK-UHFFFAOYSA-N 1 2 383.366 3.509 20 10 GHCDLO COc1cc(O)c(C[N@H+](C)Cc2cccc3c2OCO3)c(Br)c1 ZINC001237068518 1042019442 /nfs/dbraw/zinc/01/94/42/1042019442.db2.gz RJUGXAQMMABLCF-UHFFFAOYSA-N 1 2 380.238 3.524 20 10 GHCDLO COc1cc(O)c(C[N@@H+](C)Cc2cccc3c2OCO3)c(Br)c1 ZINC001237068518 1042019446 /nfs/dbraw/zinc/01/94/46/1042019446.db2.gz RJUGXAQMMABLCF-UHFFFAOYSA-N 1 2 380.238 3.524 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC001237122678 1042049939 /nfs/dbraw/zinc/04/99/39/1042049939.db2.gz KIAUUNVZDJGLIX-UHFFFAOYSA-N 1 2 387.789 3.661 20 10 GHCDLO COCCOc1ccccc1N1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237128544 1042055090 /nfs/dbraw/zinc/05/50/90/1042055090.db2.gz RKDWBKBNIKPPLO-UHFFFAOYSA-N 1 2 394.874 3.532 20 10 GHCDLO O=C(NC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1)c1cccc(F)c1 ZINC001237128499 1042055160 /nfs/dbraw/zinc/05/51/60/1042055160.db2.gz PWWZDTDAPUQLQF-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)Cc2c1cnn2CC ZINC001237136095 1042058398 /nfs/dbraw/zinc/05/83/98/1042058398.db2.gz OYUMWKOXFCTSJM-AWEZNQCLSA-N 1 2 383.414 3.763 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)Cc2c1cnn2CC ZINC001237136095 1042058401 /nfs/dbraw/zinc/05/84/01/1042058401.db2.gz OYUMWKOXFCTSJM-AWEZNQCLSA-N 1 2 383.414 3.763 20 10 GHCDLO Nc1ccc(F)c(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1F ZINC001237206396 1042090750 /nfs/dbraw/zinc/09/07/50/1042090750.db2.gz UPUYYSXCXQJHHQ-UHFFFAOYSA-N 1 2 387.352 3.768 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237621924 1042288650 /nfs/dbraw/zinc/28/86/50/1042288650.db2.gz JNMXJJGFAUTVII-DRXBFXEBSA-N 1 2 384.879 3.920 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237621924 1042288654 /nfs/dbraw/zinc/28/86/54/1042288654.db2.gz JNMXJJGFAUTVII-DRXBFXEBSA-N 1 2 384.879 3.920 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237624076 1042290576 /nfs/dbraw/zinc/29/05/76/1042290576.db2.gz XFGDCXZTAZFDPW-CQSZACIVSA-N 1 2 392.833 3.944 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237624076 1042290579 /nfs/dbraw/zinc/29/05/79/1042290579.db2.gz XFGDCXZTAZFDPW-CQSZACIVSA-N 1 2 392.833 3.944 20 10 GHCDLO C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@H]1O ZINC001237784067 1042367710 /nfs/dbraw/zinc/36/77/10/1042367710.db2.gz PEUTYPBTNFUGOV-RNCFNFMXSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@H]1O ZINC001237784067 1042367713 /nfs/dbraw/zinc/36/77/13/1042367713.db2.gz PEUTYPBTNFUGOV-RNCFNFMXSA-N 1 2 382.220 3.766 20 10 GHCDLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237785330 1042368497 /nfs/dbraw/zinc/36/84/97/1042368497.db2.gz FWNOPVUOLMEPKD-AWEZNQCLSA-N 1 2 396.203 3.559 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3[nH]c(-c4ccc[nH]4)cc3OC)CC2)cc1 ZINC001237881306 1042407285 /nfs/dbraw/zinc/40/72/85/1042407285.db2.gz XVMQUAIFFWEPBA-UHFFFAOYSA-N 1 2 380.492 3.739 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001237936699 1042428008 /nfs/dbraw/zinc/42/80/08/1042428008.db2.gz LUBOPWARHHDUMB-UHFFFAOYSA-N 1 2 379.741 3.966 20 10 GHCDLO CN(c1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)cc1)C1CCCCC1 ZINC001292258426 1043652003 /nfs/dbraw/zinc/65/20/03/1043652003.db2.gz TTZNWKLVKXOJAL-JOCHJYFZSA-N 1 2 395.551 3.875 20 10 GHCDLO CN(c1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)cc1)C1CCCCC1 ZINC001292258426 1043652013 /nfs/dbraw/zinc/65/20/13/1043652013.db2.gz TTZNWKLVKXOJAL-JOCHJYFZSA-N 1 2 395.551 3.875 20 10 GHCDLO Oc1cc(C(F)(F)F)ccc1CN1CC2(C1)C[NH+](CCCC(F)(F)F)C2 ZINC001279515118 1047830856 /nfs/dbraw/zinc/83/08/56/1047830856.db2.gz YKAYXROBDPZWQI-UHFFFAOYSA-N 1 2 382.348 3.871 20 10 GHCDLO COc1cc(O)c(C[NH+]2CC3(CN(CCCC(F)(F)F)C3)C2)cc1Cl ZINC001279571288 1047842610 /nfs/dbraw/zinc/84/26/10/1047842610.db2.gz GHJLMDSZOJDLKU-UHFFFAOYSA-N 1 2 378.822 3.514 20 10 GHCDLO O=C(C1CCC1)N(CCC[NH2+]Cc1cc(Br)cc(F)c1O)C1CC1 ZINC001308270074 1049932757 /nfs/dbraw/zinc/93/27/57/1049932757.db2.gz ROXQCGWSSJPJPF-UHFFFAOYSA-N 1 2 399.304 3.565 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001308513336 1049994941 /nfs/dbraw/zinc/99/49/41/1049994941.db2.gz NZOSNEWWOCUARB-CMPLNLGQSA-N 1 2 386.183 3.883 20 10 GHCDLO CC(C)Oc1ccc(N(C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001308689762 1050060488 /nfs/dbraw/zinc/06/04/88/1050060488.db2.gz WVUVKBFLIURLIB-UHFFFAOYSA-N 1 2 384.520 3.821 20 10 GHCDLO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c2ccco2)cc1 ZINC001308821625 1050108184 /nfs/dbraw/zinc/10/81/84/1050108184.db2.gz SZBIAFDJEFVMHN-SFHVURJKSA-N 1 2 384.388 3.790 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC001474356549 1074360497 /nfs/dbraw/zinc/36/04/97/1074360497.db2.gz KFJUKNCHWIYZJK-UHFFFAOYSA-N 1 2 393.314 3.894 20 10 GHCDLO OC1CCN(c2ccc(C[NH2+]Cc3ncc(C(F)(F)F)s3)cc2F)CC1 ZINC000278589225 835485692 /nfs/dbraw/zinc/48/56/92/835485692.db2.gz GTSVQVGCXYXGAX-UHFFFAOYSA-N 1 2 389.418 3.552 20 10 GHCDLO C[C@@H]([NH2+]Cc1cncn1C)c1cc(Br)cc(Br)c1O ZINC000289630160 839452936 /nfs/dbraw/zinc/45/29/36/839452936.db2.gz FDZKHJLFSJUSHB-MRVPVSSYSA-N 1 2 389.091 3.502 20 10 GHCDLO CC(=O)c1csc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000134260226 839759401 /nfs/dbraw/zinc/75/94/01/839759401.db2.gz CJLDKWODMCPZBU-INIZCTEOSA-N 1 2 392.908 3.704 20 10 GHCDLO CC(=O)c1csc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000134260226 839759405 /nfs/dbraw/zinc/75/94/05/839759405.db2.gz CJLDKWODMCPZBU-INIZCTEOSA-N 1 2 392.908 3.704 20 10 GHCDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3cc(F)cc(F)c3O)CC2)cs1 ZINC000894088632 844486272 /nfs/dbraw/zinc/48/62/72/844486272.db2.gz MYTYFXRRRUIIST-ZDUSSCGKSA-N 1 2 397.491 3.542 20 10 GHCDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3cc(F)cc(F)c3O)CC2)cs1 ZINC000894088632 844486278 /nfs/dbraw/zinc/48/62/78/844486278.db2.gz MYTYFXRRRUIIST-ZDUSSCGKSA-N 1 2 397.491 3.542 20 10 GHCDLO Cc1cc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)ccc1Cl ZINC000588409902 841310957 /nfs/dbraw/zinc/31/09/57/841310957.db2.gz BMXZIYWCFVCVOJ-VBKFSLOCSA-N 1 2 396.965 3.572 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(c3nc(C)no3)CC2)c(C)n1-c1ccccc1 ZINC000728914413 843879450 /nfs/dbraw/zinc/87/94/50/843879450.db2.gz SJKRVKULUBMYLJ-UHFFFAOYSA-N 1 2 378.476 3.848 20 10 GHCDLO Cc1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)nc2ccccc12 ZINC000765638350 860372874 /nfs/dbraw/zinc/37/28/74/860372874.db2.gz LNEMQAMBOXSGIO-HNNXBMFYSA-N 1 2 380.467 3.765 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922806654 860631134 /nfs/dbraw/zinc/63/11/34/860631134.db2.gz ZNXISIWCBGMNMJ-CYBMUJFWSA-N 1 2 390.705 3.626 20 10 GHCDLO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000730228697 860954309 /nfs/dbraw/zinc/95/43/09/860954309.db2.gz WEVVSSVPTDRXPN-GOSISDBHSA-N 1 2 396.579 3.583 20 10 GHCDLO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ncc(-c2ccccc2)o1 ZINC000184847402 864984297 /nfs/dbraw/zinc/98/42/97/864984297.db2.gz VVFMIUIUHMSPAG-QGZVFWFLSA-N 1 2 392.503 3.717 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)CC[C@H](C)O)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000744406690 868816363 /nfs/dbraw/zinc/81/63/63/868816363.db2.gz MUUAFRFFUACYGF-AWEZNQCLSA-N 1 2 380.435 3.581 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)CC[C@H](C)O)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000744406690 868816373 /nfs/dbraw/zinc/81/63/73/868816373.db2.gz MUUAFRFFUACYGF-AWEZNQCLSA-N 1 2 380.435 3.581 20 10 GHCDLO COc1ccc(N2CCC[N@H+](Cc3nc([C@H](C)OCC(C)C)no3)CC2)cc1 ZINC000173870377 882412169 /nfs/dbraw/zinc/41/21/69/882412169.db2.gz KDGGPINBDVIOHE-KRWDZBQOSA-N 1 2 388.512 3.524 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](Cc3nc([C@H](C)OCC(C)C)no3)CC2)cc1 ZINC000173870377 882412177 /nfs/dbraw/zinc/41/21/77/882412177.db2.gz KDGGPINBDVIOHE-KRWDZBQOSA-N 1 2 388.512 3.524 20 10 GHCDLO Cc1ccc(-c2noc(CN3CC[NH+](Cc4cc(Cl)ccc4O)CC3)n2)cc1 ZINC000768224857 873175232 /nfs/dbraw/zinc/17/52/32/873175232.db2.gz ASGIWOYTPINGLY-UHFFFAOYSA-N 1 2 398.894 3.722 20 10 GHCDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000768247589 873187695 /nfs/dbraw/zinc/18/76/95/873187695.db2.gz BYPXCISNKMVIDM-CYBMUJFWSA-N 1 2 385.302 3.596 20 10 GHCDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000768247589 873187703 /nfs/dbraw/zinc/18/77/03/873187703.db2.gz BYPXCISNKMVIDM-CYBMUJFWSA-N 1 2 385.302 3.596 20 10 GHCDLO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)o1 ZINC000527587475 873322614 /nfs/dbraw/zinc/32/26/14/873322614.db2.gz MMJNOMFWCQWIFJ-UHFFFAOYSA-N 1 2 380.847 3.789 20 10 GHCDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(O)c1 ZINC000769308773 873956007 /nfs/dbraw/zinc/95/60/07/873956007.db2.gz BRICHOLBKXEZBB-UHFFFAOYSA-N 1 2 392.858 3.541 20 10 GHCDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3c(O)cccc3Cl)CC2)cs1 ZINC000769501890 874110375 /nfs/dbraw/zinc/11/03/75/874110375.db2.gz FJLSEZVNYHPNTK-CQSZACIVSA-N 1 2 395.956 3.917 20 10 GHCDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3c(O)ccc4c3CCCC4)cn2c1 ZINC000769563483 874161718 /nfs/dbraw/zinc/16/17/18/874161718.db2.gz HRIRGQDLPDRUTP-UHFFFAOYSA-N 1 2 395.528 3.777 20 10 GHCDLO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000769908066 874335016 /nfs/dbraw/zinc/33/50/16/874335016.db2.gz ICKXKMJFQCEPLL-UHFFFAOYSA-N 1 2 391.846 3.942 20 10 GHCDLO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC001199100516 874806267 /nfs/dbraw/zinc/80/62/67/874806267.db2.gz JGZHLKAYFUEMOY-UHFFFAOYSA-N 1 2 381.245 3.639 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)c(F)cc1O ZINC000850554695 877021615 /nfs/dbraw/zinc/02/16/15/877021615.db2.gz FLCZKIPSQAHILV-QWRGUYRKSA-N 1 2 387.293 3.591 20 10 GHCDLO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)c(F)cc1O ZINC000850562568 877028461 /nfs/dbraw/zinc/02/84/61/877028461.db2.gz NYAIXPOXSHJWNV-DIFFPNOSSA-N 1 2 390.293 3.512 20 10 GHCDLO CC[C@@H]([NH2+][C@H](C)CN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1O ZINC000806140312 884400224 /nfs/dbraw/zinc/40/02/24/884400224.db2.gz JFIUAPBWXDFWHU-VQIMIIECSA-N 1 2 388.943 3.692 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)CCCn2cc[nH+]c2)ccc1C ZINC000860217224 884437453 /nfs/dbraw/zinc/43/74/53/884437453.db2.gz CTGKIFNRXWQGHK-UHFFFAOYSA-N 1 2 378.476 3.574 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000860468107 884704588 /nfs/dbraw/zinc/70/45/88/884704588.db2.gz QAFMADYMHWYWOH-IRXDYDNUSA-N 1 2 383.492 3.632 20 10 GHCDLO C=Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)cc1 ZINC001184362224 913146913 /nfs/dbraw/zinc/14/69/13/913146913.db2.gz XUTYHWYPEGVMIN-UHFFFAOYSA-N 1 2 378.428 3.521 20 10 GHCDLO C=Cc1ccc(NC(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)cc1 ZINC001184362224 913146923 /nfs/dbraw/zinc/14/69/23/913146923.db2.gz XUTYHWYPEGVMIN-UHFFFAOYSA-N 1 2 378.428 3.521 20 10 GHCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794616583 887682665 /nfs/dbraw/zinc/68/26/65/887682665.db2.gz MDJKPKMNUXAVHL-UHFFFAOYSA-N 1 2 396.447 3.583 20 10 GHCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794616583 887682672 /nfs/dbraw/zinc/68/26/72/887682672.db2.gz MDJKPKMNUXAVHL-UHFFFAOYSA-N 1 2 396.447 3.583 20 10 GHCDLO CN(C)c1ccc(C[N@H+](Cc2ccco2)Cc2cnc(N3CCCC3)nc2)cc1 ZINC000809731062 887712623 /nfs/dbraw/zinc/71/26/23/887712623.db2.gz BBFBGYWNAVJPKP-UHFFFAOYSA-N 1 2 391.519 3.938 20 10 GHCDLO CN(C)c1ccc(C[N@@H+](Cc2ccco2)Cc2cnc(N3CCCC3)nc2)cc1 ZINC000809731062 887712637 /nfs/dbraw/zinc/71/26/37/887712637.db2.gz BBFBGYWNAVJPKP-UHFFFAOYSA-N 1 2 391.519 3.938 20 10 GHCDLO C[C@@H]([NH2+]CCC1(O)CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000866443104 888880224 /nfs/dbraw/zinc/88/02/24/888880224.db2.gz IDTFIOGMNLSFHW-OAHLLOKOSA-N 1 2 376.447 3.743 20 10 GHCDLO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(Br)c(F)cc1O ZINC000866564924 888939965 /nfs/dbraw/zinc/93/99/65/888939965.db2.gz FQORUQCSTFNEDH-ZETCQYMHSA-N 1 2 378.192 3.816 20 10 GHCDLO COCC(C)(C)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000814178477 892343545 /nfs/dbraw/zinc/34/35/45/892343545.db2.gz QZILHONRWWWODP-UHFFFAOYSA-N 1 2 381.108 3.774 20 10 GHCDLO COCC(C)(C)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000814178477 892343565 /nfs/dbraw/zinc/34/35/65/892343565.db2.gz QZILHONRWWWODP-UHFFFAOYSA-N 1 2 381.108 3.774 20 10 GHCDLO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c1O ZINC000815658231 894073520 /nfs/dbraw/zinc/07/35/20/894073520.db2.gz WQMKBXSREIMQOT-ZDUSSCGKSA-N 1 2 387.281 3.895 20 10 GHCDLO CO[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O)C1CC1 ZINC000815650856 894095971 /nfs/dbraw/zinc/09/59/71/894095971.db2.gz CUSBTOAAHPCIIM-SDBXPKJASA-N 1 2 393.119 3.993 20 10 GHCDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000774869283 913843096 /nfs/dbraw/zinc/84/30/96/913843096.db2.gz JWQLQCJLSVKLJQ-AWEZNQCLSA-N 1 2 387.436 3.548 20 10 GHCDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000774869283 913843127 /nfs/dbraw/zinc/84/31/27/913843127.db2.gz JWQLQCJLSVKLJQ-AWEZNQCLSA-N 1 2 387.436 3.548 20 10 GHCDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000748050959 894607047 /nfs/dbraw/zinc/60/70/47/894607047.db2.gz JOCJIZODGZBDCI-UHFFFAOYSA-N 1 2 390.867 3.717 20 10 GHCDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000748050959 894607054 /nfs/dbraw/zinc/60/70/54/894607054.db2.gz JOCJIZODGZBDCI-UHFFFAOYSA-N 1 2 390.867 3.717 20 10 GHCDLO O=C(NCCCSc1nccs1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883516966 897646398 /nfs/dbraw/zinc/64/63/98/897646398.db2.gz LPXSHXMYQJDXDA-INIZCTEOSA-N 1 2 387.534 3.563 20 10 GHCDLO Cc1cc(Br)cc(CNc2ccccc2C[NH+]2CCOCC2)c1O ZINC000823537707 899078179 /nfs/dbraw/zinc/07/81/79/899078179.db2.gz KDZMYLSUXZEFPE-UHFFFAOYSA-N 1 2 391.309 3.907 20 10 GHCDLO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000824950728 899903648 /nfs/dbraw/zinc/90/36/48/899903648.db2.gz WPLOTQXHKFHNPS-CYBMUJFWSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000824950728 899903655 /nfs/dbraw/zinc/90/36/55/899903655.db2.gz WPLOTQXHKFHNPS-CYBMUJFWSA-N 1 2 377.286 3.530 20 10 GHCDLO CCn1cc(C[N@H+](CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C(C)C)cn1 ZINC000844423743 900827700 /nfs/dbraw/zinc/82/77/00/900827700.db2.gz UYGBODHKRWUTOT-UHFFFAOYSA-N 1 2 397.498 3.938 20 10 GHCDLO CCn1cc(C[N@@H+](CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C(C)C)cn1 ZINC000844423743 900827703 /nfs/dbraw/zinc/82/77/03/900827703.db2.gz UYGBODHKRWUTOT-UHFFFAOYSA-N 1 2 397.498 3.938 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(Br)cc(F)c1O ZINC000886763818 901259837 /nfs/dbraw/zinc/25/98/37/901259837.db2.gz GEHLBKOJAGCMQG-YAMOITTJSA-N 1 2 388.277 3.671 20 10 GHCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](CC)c2cc(Br)ccc2O)no1 ZINC000290155759 914550589 /nfs/dbraw/zinc/55/05/89/914550589.db2.gz LOUXWODSFFQYAA-MFKMUULPSA-N 1 2 384.274 3.876 20 10 GHCDLO CCc1nnc(C2CC[NH+](Cc3cc(Br)c(F)cc3O)CC2)o1 ZINC001144306534 901685586 /nfs/dbraw/zinc/68/55/86/901685586.db2.gz GBZJTBSJKCMUEX-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307912 901698246 /nfs/dbraw/zinc/69/82/46/901698246.db2.gz LNOKGZMOPFBNQZ-ZDUSSCGKSA-N 1 2 378.241 3.999 20 10 GHCDLO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307912 901698251 /nfs/dbraw/zinc/69/82/51/901698251.db2.gz LNOKGZMOPFBNQZ-ZDUSSCGKSA-N 1 2 378.241 3.999 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001144308851 901706273 /nfs/dbraw/zinc/70/62/73/901706273.db2.gz ZUVVYDSJTPRTFG-UHFFFAOYSA-N 1 2 399.235 3.871 20 10 GHCDLO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778994190 902607745 /nfs/dbraw/zinc/60/77/45/902607745.db2.gz AXYXQQDNRAPDJM-UHFFFAOYSA-N 1 2 382.357 3.508 20 10 GHCDLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)c(C)n1-c1ccc(Br)cn1 ZINC001146678441 903584342 /nfs/dbraw/zinc/58/43/42/903584342.db2.gz QLRYEPIMMKGPNQ-UHFFFAOYSA-N 1 2 385.265 3.629 20 10 GHCDLO Fc1ccc([C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)c2ncc[nH]2)cc1 ZINC000187792829 904839588 /nfs/dbraw/zinc/83/95/88/904839588.db2.gz VAURVRYAIHRCKX-FQEVSTJZSA-N 1 2 382.508 3.981 20 10 GHCDLO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179700525 906566291 /nfs/dbraw/zinc/56/62/91/906566291.db2.gz PIHGTGHKAJKGRL-UHFFFAOYSA-N 1 2 376.859 3.713 20 10 GHCDLO CCC(=O)Nc1cccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC001177307868 908538673 /nfs/dbraw/zinc/53/86/73/908538673.db2.gz HMDVXEIYRFMLEM-UHFFFAOYSA-N 1 2 381.245 3.932 20 10 GHCDLO CCOc1cccc(CNC2(c3noc(C[NH+](CC)CC)n3)CCCC2)c1O ZINC000266160602 909024229 /nfs/dbraw/zinc/02/42/29/909024229.db2.gz NGCYHJHYNFBPAQ-UHFFFAOYSA-N 1 2 388.512 3.575 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC001179090634 909381408 /nfs/dbraw/zinc/38/14/08/909381408.db2.gz GFYWGOQCMHKWRS-MFKMUULPSA-N 1 2 388.277 3.894 20 10 GHCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1cc(F)ccc1F ZINC001179788755 909730570 /nfs/dbraw/zinc/73/05/70/909730570.db2.gz FDNMOJCMFGCGNZ-AWEZNQCLSA-N 1 2 392.627 3.910 20 10 GHCDLO COc1ccc(-n2c(C)cc(CN(C)Cc3c[nH+]c(N(C)C)n3C)c2C)cc1 ZINC001179919838 909837881 /nfs/dbraw/zinc/83/78/81/909837881.db2.gz PCPADQAOQPHANL-UHFFFAOYSA-N 1 2 381.524 3.534 20 10 GHCDLO CCOc1ccccc1C(=O)N1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001180378963 910104769 /nfs/dbraw/zinc/10/47/69/910104769.db2.gz NSOKMHSVJIQHJU-BQYQJAHWSA-N 1 2 393.531 3.623 20 10 GHCDLO CCOc1ccc(C[NH+]2CCN(Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC001180364537 910125540 /nfs/dbraw/zinc/12/55/40/910125540.db2.gz YDEYTPLGRXBDMB-UHFFFAOYSA-N 1 2 378.875 3.901 20 10 GHCDLO CCc1cccc(C[N@H+](CC(=O)OC)Cc2cccc(Br)c2)c1O ZINC001181398777 910761221 /nfs/dbraw/zinc/76/12/21/910761221.db2.gz CCMNLGKKTRQHLN-UHFFFAOYSA-N 1 2 392.293 3.892 20 10 GHCDLO CCc1cccc(C[N@@H+](CC(=O)OC)Cc2cccc(Br)c2)c1O ZINC001181398777 910761239 /nfs/dbraw/zinc/76/12/39/910761239.db2.gz CCMNLGKKTRQHLN-UHFFFAOYSA-N 1 2 392.293 3.892 20 10 GHCDLO OC[C@@H]1CCCCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC001206514287 911721975 /nfs/dbraw/zinc/72/19/75/911721975.db2.gz PZBTWFBMXQRAGY-LBPRGKRZSA-N 1 2 393.119 3.654 20 10 GHCDLO OC[C@@H]1CCCCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC001206514287 911721985 /nfs/dbraw/zinc/72/19/85/911721985.db2.gz PZBTWFBMXQRAGY-LBPRGKRZSA-N 1 2 393.119 3.654 20 10 GHCDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000774479790 911785764 /nfs/dbraw/zinc/78/57/64/911785764.db2.gz UMIRTVARKQOPSM-DIFFPNOSSA-N 1 2 394.288 3.531 20 10 GHCDLO COc1ccc(-c2nc(C[NH+]3CCN(c4ccc(OC)cc4)CC3)co2)cc1 ZINC000248262969 911922773 /nfs/dbraw/zinc/92/27/73/911922773.db2.gz XIKFONJMKXBJTP-UHFFFAOYSA-N 1 2 379.460 3.681 20 10 GHCDLO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093336043 912203936 /nfs/dbraw/zinc/20/39/36/912203936.db2.gz RBBYVKCTPYMHSN-UHFFFAOYSA-N 1 2 375.513 3.630 20 10 GHCDLO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093336043 912203959 /nfs/dbraw/zinc/20/39/59/912203959.db2.gz RBBYVKCTPYMHSN-UHFFFAOYSA-N 1 2 375.513 3.630 20 10 GHCDLO Cc1nc(NCc2cccc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2)cc[nH+]1 ZINC000775403112 917468343 /nfs/dbraw/zinc/46/83/43/917468343.db2.gz GMTFFTYCOPXQCD-MRXNPFEDSA-N 1 2 389.503 3.954 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC001191486723 918017176 /nfs/dbraw/zinc/01/71/76/918017176.db2.gz SYVVAHYIGUMOJA-QLFBSQMISA-N 1 2 376.456 3.519 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC001191486723 918017191 /nfs/dbraw/zinc/01/71/91/918017191.db2.gz SYVVAHYIGUMOJA-QLFBSQMISA-N 1 2 376.456 3.519 20 10 GHCDLO COc1cc(C)cc(C[N@@H+]2CCOc3ccc(Br)cc3C2)c1O ZINC000802744532 922376074 /nfs/dbraw/zinc/37/60/74/922376074.db2.gz JCEQDXGYMSFWGQ-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO COc1cc(C)cc(C[N@H+]2CCOc3ccc(Br)cc3C2)c1O ZINC000802744532 922376088 /nfs/dbraw/zinc/37/60/88/922376088.db2.gz JCEQDXGYMSFWGQ-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1CCc2c(COCc3ccccn3)cncc2C1 ZINC001137834910 935814007 /nfs/dbraw/zinc/81/40/07/935814007.db2.gz YFNHLVNUQGFRPQ-UHFFFAOYSA-N 1 2 379.435 3.596 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1CCc2c(COCc3ccccn3)cncc2C1 ZINC001137834910 935814009 /nfs/dbraw/zinc/81/40/09/935814009.db2.gz YFNHLVNUQGFRPQ-UHFFFAOYSA-N 1 2 379.435 3.596 20 10 GHCDLO O=C(NCCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232028 1032518358 /nfs/dbraw/zinc/51/83/58/1032518358.db2.gz JKSQCHJDCADFOT-CYBMUJFWSA-N 1 2 390.833 3.716 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(Nc3cccc(O)c3O)c2)CC1 ZINC001204330733 1032773042 /nfs/dbraw/zinc/77/30/42/1032773042.db2.gz RIGADGQBBQAWNA-UHFFFAOYSA-N 1 2 399.491 3.894 20 10 GHCDLO c1ccc2c(C[NH+]3CCN(c4ccc(OCc5cccnc5)cc4)CC3)n[nH]c2c1 ZINC001137353012 1021932930 /nfs/dbraw/zinc/93/29/30/1021932930.db2.gz HGEGGYFTUQWHGJ-UHFFFAOYSA-N 1 2 399.498 3.859 20 10 GHCDLO CN(C)c1ccc(/C=C/C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC001204657167 1033016796 /nfs/dbraw/zinc/01/67/96/1033016796.db2.gz ANUGSVCOZRLJSV-ONEGZZNKSA-N 1 2 397.950 3.806 20 10 GHCDLO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4c(O)cc(F)cc4F)C3)C2=O)c1 ZINC001140580884 1022000480 /nfs/dbraw/zinc/00/04/80/1022000480.db2.gz LKEARSQCFPLUAT-JOCHJYFZSA-N 1 2 386.442 3.603 20 10 GHCDLO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4c(O)cc(F)cc4F)C3)C2=O)c1 ZINC001140580884 1022000486 /nfs/dbraw/zinc/00/04/86/1022000486.db2.gz LKEARSQCFPLUAT-JOCHJYFZSA-N 1 2 386.442 3.603 20 10 GHCDLO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C[C@H]1c1ccccc1 ZINC001140584218 1022007339 /nfs/dbraw/zinc/00/73/39/1022007339.db2.gz JIFGHTYWXBMWTP-IRXDYDNUSA-N 1 2 375.415 3.839 20 10 GHCDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C[C@H]1c1ccccc1 ZINC001140584218 1022007348 /nfs/dbraw/zinc/00/73/48/1022007348.db2.gz JIFGHTYWXBMWTP-IRXDYDNUSA-N 1 2 375.415 3.839 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCc3c(c(COCC4CC4)nn3C)C2)c(Cl)c1 ZINC001140923876 1022900201 /nfs/dbraw/zinc/90/02/01/1022900201.db2.gz HCZNBPPDZQGTID-UHFFFAOYSA-N 1 2 388.943 3.624 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCc3c(c(COCC4CC4)nn3C)C2)c(Cl)c1 ZINC001140923876 1022900205 /nfs/dbraw/zinc/90/02/05/1022900205.db2.gz HCZNBPPDZQGTID-UHFFFAOYSA-N 1 2 388.943 3.624 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)c(OC)c1 ZINC001141031759 1023298463 /nfs/dbraw/zinc/29/84/63/1023298463.db2.gz KAYYNYPHVRECRO-IBGZPJMESA-N 1 2 385.460 3.507 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)c(OC)c1 ZINC001141031759 1023298467 /nfs/dbraw/zinc/29/84/67/1023298467.db2.gz KAYYNYPHVRECRO-IBGZPJMESA-N 1 2 385.460 3.507 20 10 GHCDLO Cc1cccc([C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2O)N2CCOCC2)c1 ZINC000756408435 1023632450 /nfs/dbraw/zinc/63/24/50/1023632450.db2.gz MPAWUADESARYTB-FOIQADDNSA-N 1 2 376.447 3.703 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(Br)c(F)cc1O ZINC000756456683 1023661670 /nfs/dbraw/zinc/66/16/70/1023661670.db2.gz IETFNVDFXHUGIL-TZMCWYRMSA-N 1 2 382.273 3.796 20 10 GHCDLO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1cc(Br)c(F)cc1O ZINC000756602206 1023731590 /nfs/dbraw/zinc/73/15/90/1023731590.db2.gz DBOSMCWSRPJESR-GFCCVEGCSA-N 1 2 390.293 3.778 20 10 GHCDLO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756713098 1023784824 /nfs/dbraw/zinc/78/48/24/1023784824.db2.gz TYSLKGSDODDXLD-BMIGLBTASA-N 1 2 384.245 3.687 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cc(Br)c(F)cc1O ZINC000756768939 1023807819 /nfs/dbraw/zinc/80/78/19/1023807819.db2.gz BGYVEWKUSMRFSI-VXGBXAGGSA-N 1 2 380.261 3.618 20 10 GHCDLO Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2ccn3cc[nH+]c3c2)cc1 ZINC001204977358 1033191897 /nfs/dbraw/zinc/19/18/97/1033191897.db2.gz FQIIHOYDPKOHAM-UHFFFAOYSA-N 1 2 378.457 3.752 20 10 GHCDLO Oc1c(C[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)cc2c3c1CCCN3CCC2 ZINC001138342297 1024704310 /nfs/dbraw/zinc/70/43/10/1024704310.db2.gz PMJQWLUYOJLIDI-UHFFFAOYSA-N 1 2 386.499 3.793 20 10 GHCDLO Oc1c(C[N@H+]2Cc3cnn(-c4ccccc4)c3C2)cc2c3c1CCCN3CCC2 ZINC001138342297 1024704321 /nfs/dbraw/zinc/70/43/21/1024704321.db2.gz PMJQWLUYOJLIDI-UHFFFAOYSA-N 1 2 386.499 3.793 20 10 GHCDLO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367813 1024740943 /nfs/dbraw/zinc/74/09/43/1024740943.db2.gz RLOTVGDWTFNZLC-NXEZZACHSA-N 1 2 376.678 3.582 20 10 GHCDLO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367813 1024740949 /nfs/dbraw/zinc/74/09/49/1024740949.db2.gz RLOTVGDWTFNZLC-NXEZZACHSA-N 1 2 376.678 3.582 20 10 GHCDLO Cn1ccc(C2CC[NH+](Cc3cc(Cl)cc(Br)c3O)CC2)n1 ZINC001141374670 1024767143 /nfs/dbraw/zinc/76/71/43/1024767143.db2.gz MEGXTXQZQNDBSE-UHFFFAOYSA-N 1 2 384.705 3.921 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001139127743 1025940146 /nfs/dbraw/zinc/94/01/46/1025940146.db2.gz OQWVSMGHNUKXDY-PLMTUMEDSA-N 1 2 383.488 3.834 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001139127743 1025940151 /nfs/dbraw/zinc/94/01/51/1025940151.db2.gz OQWVSMGHNUKXDY-PLMTUMEDSA-N 1 2 383.488 3.834 20 10 GHCDLO CCc1ccccc1Nc1nc(N)nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000839563518 1026060093 /nfs/dbraw/zinc/06/00/93/1026060093.db2.gz LURXYLYHPXMFKL-HNNXBMFYSA-N 1 2 391.523 3.677 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210357160 1027465429 /nfs/dbraw/zinc/46/54/29/1027465429.db2.gz RTWMCQJNXRGGND-MRXNPFEDSA-N 1 2 395.728 3.825 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461280209 1069478787 /nfs/dbraw/zinc/47/87/87/1069478787.db2.gz IEKQRMNEMJPHPY-WOJBJXKFSA-N 1 2 392.902 3.954 20 10 GHCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001205607303 1033490744 /nfs/dbraw/zinc/49/07/44/1033490744.db2.gz KMIITTJXEFJMHZ-UHFFFAOYSA-N 1 2 391.475 3.798 20 10 GHCDLO CCOC(=O)c1c[nH]c2nc[nH+]c(NCc3cc(Cl)c4cccnc4c3O)c12 ZINC001157723804 1033739654 /nfs/dbraw/zinc/73/96/54/1033739654.db2.gz DKBDYWPRONRBOT-UHFFFAOYSA-N 1 2 397.822 3.606 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(OC)ccc3Br)CC2)cc1 ZINC000325428472 1033898222 /nfs/dbraw/zinc/89/82/22/1033898222.db2.gz CEJOGURWKLWTHP-UHFFFAOYSA-N 1 2 391.309 3.789 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)cc1Cl ZINC001231868202 1034955061 /nfs/dbraw/zinc/95/50/61/1034955061.db2.gz SAMCAUUQFLDVML-MRXNPFEDSA-N 1 2 375.900 3.609 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)cc1Cl ZINC001231868202 1034955065 /nfs/dbraw/zinc/95/50/65/1034955065.db2.gz SAMCAUUQFLDVML-MRXNPFEDSA-N 1 2 375.900 3.609 20 10 GHCDLO Oc1c(Cl)cccc1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001231910332 1034984107 /nfs/dbraw/zinc/98/41/07/1034984107.db2.gz NOAJWHKGDZFOLO-GOSISDBHSA-N 1 2 388.895 3.781 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269044 1037992223 /nfs/dbraw/zinc/99/22/23/1037992223.db2.gz ZRADNESHSGFOGJ-GJZGRUSLSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269044 1037992226 /nfs/dbraw/zinc/99/22/26/1037992226.db2.gz ZRADNESHSGFOGJ-GJZGRUSLSA-N 1 2 382.888 3.638 20 10 GHCDLO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2O)C1=O ZINC001462265307 1070130689 /nfs/dbraw/zinc/13/06/89/1070130689.db2.gz CZVGTDASOVGXBJ-SJCJKPOMSA-N 1 2 378.394 3.651 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1Br ZINC001233140151 1038919583 /nfs/dbraw/zinc/91/95/83/1038919583.db2.gz XPFXDKLJHHMTLW-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1Br ZINC001233140151 1038919587 /nfs/dbraw/zinc/91/95/87/1038919587.db2.gz XPFXDKLJHHMTLW-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO CCOC(=O)c1c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c2ccccc2n1C ZINC001233272448 1039041610 /nfs/dbraw/zinc/04/16/10/1039041610.db2.gz LPUGYFRGFJLRML-OAQYLSRUSA-N 1 2 378.472 3.929 20 10 GHCDLO CCOC(=O)c1c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c2ccccc2n1C ZINC001233272448 1039041626 /nfs/dbraw/zinc/04/16/26/1039041626.db2.gz LPUGYFRGFJLRML-OAQYLSRUSA-N 1 2 378.472 3.929 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)Cc2nnn(CC3CC3)c21 ZINC001233284125 1039058268 /nfs/dbraw/zinc/05/82/68/1039058268.db2.gz JMKFZQOJKHSUAQ-SFHVURJKSA-N 1 2 398.551 3.827 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)Cc2nnn(CC3CC3)c21 ZINC001233284125 1039058286 /nfs/dbraw/zinc/05/82/86/1039058286.db2.gz JMKFZQOJKHSUAQ-SFHVURJKSA-N 1 2 398.551 3.827 20 10 GHCDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)c1O ZINC001233290822 1039075895 /nfs/dbraw/zinc/07/58/95/1039075895.db2.gz YCQSTVOXXJLELJ-UHFFFAOYSA-N 1 2 382.838 3.650 20 10 GHCDLO CCOc1cccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)n1 ZINC001233418973 1039279129 /nfs/dbraw/zinc/27/91/29/1039279129.db2.gz DPDBESANDAYVCM-UHFFFAOYSA-N 1 2 381.398 3.527 20 10 GHCDLO COC(=O)c1ccccc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233418518 1039279632 /nfs/dbraw/zinc/27/96/32/1039279632.db2.gz KIOFRQYYHYQRMV-UHFFFAOYSA-N 1 2 394.393 3.520 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H](F)C1 ZINC001233452248 1039332942 /nfs/dbraw/zinc/33/29/42/1039332942.db2.gz OYOITBNWSNQTTC-AWEZNQCLSA-N 1 2 392.393 3.802 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H](F)C1 ZINC001233452248 1039332962 /nfs/dbraw/zinc/33/29/62/1039332962.db2.gz OYOITBNWSNQTTC-AWEZNQCLSA-N 1 2 392.393 3.802 20 10 GHCDLO OC[C@]1([NH2+]Cc2cccc(Cl)c2O)CCc2cc(Br)ccc2C1 ZINC001462425261 1070243583 /nfs/dbraw/zinc/24/35/83/1070243583.db2.gz BIJZOGRNKDRPFQ-SFHVURJKSA-N 1 2 396.712 3.818 20 10 GHCDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC001234562896 1040129880 /nfs/dbraw/zinc/12/98/80/1040129880.db2.gz XDHALDMYJRUYNJ-OAQYLSRUSA-N 1 2 377.440 3.654 20 10 GHCDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC001234562896 1040129885 /nfs/dbraw/zinc/12/98/85/1040129885.db2.gz XDHALDMYJRUYNJ-OAQYLSRUSA-N 1 2 377.440 3.654 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001235295134 1040767072 /nfs/dbraw/zinc/76/70/72/1040767072.db2.gz RTUMMOLJERWYOP-UHFFFAOYSA-N 1 2 380.204 3.684 20 10 GHCDLO CCCOc1ccc(-c2nnc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)o2)cc1 ZINC001256308544 1041694443 /nfs/dbraw/zinc/69/44/43/1041694443.db2.gz VEAHNLXNQJGBRV-UHFFFAOYSA-N 1 2 395.459 3.730 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001236791203 1041896555 /nfs/dbraw/zinc/89/65/55/1041896555.db2.gz YJGHPARMFRGSDC-GASCZTMLSA-N 1 2 378.303 3.658 20 10 GHCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236795275 1041899836 /nfs/dbraw/zinc/89/98/36/1041899836.db2.gz BNECPHMSDIGCDC-CYBMUJFWSA-N 1 2 389.323 3.595 20 10 GHCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236795275 1041899840 /nfs/dbraw/zinc/89/98/40/1041899840.db2.gz BNECPHMSDIGCDC-CYBMUJFWSA-N 1 2 389.323 3.595 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801552 1041904011 /nfs/dbraw/zinc/90/40/11/1041904011.db2.gz JHRHEKKTVJJJHM-HIFRSBDPSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801552 1041904014 /nfs/dbraw/zinc/90/40/14/1041904014.db2.gz JHRHEKKTVJJJHM-HIFRSBDPSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(Cl)c1 ZINC001236804794 1041906646 /nfs/dbraw/zinc/90/66/46/1041906646.db2.gz ZSDLQDDBDPOUMS-UHFFFAOYSA-N 1 2 382.888 3.640 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(Cl)c1 ZINC001236804794 1041906649 /nfs/dbraw/zinc/90/66/49/1041906649.db2.gz ZSDLQDDBDPOUMS-UHFFFAOYSA-N 1 2 382.888 3.640 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023395 1041942243 /nfs/dbraw/zinc/94/22/43/1041942243.db2.gz VGMCRRMIHXWIEJ-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023395 1041942245 /nfs/dbraw/zinc/94/22/45/1041942245.db2.gz VGMCRRMIHXWIEJ-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c(Br)c1 ZINC001237069091 1042019727 /nfs/dbraw/zinc/01/97/27/1042019727.db2.gz YNPVSMRFLZOUIP-LBPRGKRZSA-N 1 2 382.298 3.887 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c(Br)c1 ZINC001237069091 1042019731 /nfs/dbraw/zinc/01/97/31/1042019731.db2.gz YNPVSMRFLZOUIP-LBPRGKRZSA-N 1 2 382.298 3.887 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001237079036 1042024651 /nfs/dbraw/zinc/02/46/51/1042024651.db2.gz GKLHMCDWFARADV-IEZWGBDMSA-N 1 2 395.286 3.905 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001237079036 1042024659 /nfs/dbraw/zinc/02/46/59/1042024659.db2.gz GKLHMCDWFARADV-IEZWGBDMSA-N 1 2 395.286 3.905 20 10 GHCDLO C[NH+]1CCN(c2ccc(CN3Cc4ccccc4C3)cc2Br)CC1 ZINC001237089155 1042030556 /nfs/dbraw/zinc/03/05/56/1042030556.db2.gz FMIDJBHZPNLDPR-UHFFFAOYSA-N 1 2 386.337 3.717 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001237121044 1042048186 /nfs/dbraw/zinc/04/81/86/1042048186.db2.gz IJLZQXMVBHVZMR-FDQGKXFDSA-N 1 2 392.858 3.638 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001237121044 1042048194 /nfs/dbraw/zinc/04/81/94/1042048194.db2.gz IJLZQXMVBHVZMR-FDQGKXFDSA-N 1 2 392.858 3.638 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1 ZINC001237621625 1042288242 /nfs/dbraw/zinc/28/82/42/1042288242.db2.gz DEKKYUSVTAPYCK-TZMCWYRMSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1 ZINC001237621625 1042288246 /nfs/dbraw/zinc/28/82/46/1042288246.db2.gz DEKKYUSVTAPYCK-TZMCWYRMSA-N 1 2 384.879 3.874 20 10 GHCDLO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237623513 1042289516 /nfs/dbraw/zinc/28/95/16/1042289516.db2.gz INMMGBHZNOWMCS-HNNXBMFYSA-N 1 2 375.831 3.807 20 10 GHCDLO O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237623513 1042289520 /nfs/dbraw/zinc/28/95/20/1042289520.db2.gz INMMGBHZNOWMCS-HNNXBMFYSA-N 1 2 375.831 3.807 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237623539 1042290044 /nfs/dbraw/zinc/29/00/44/1042290044.db2.gz JOGNTSLJEXFOCD-CYBMUJFWSA-N 1 2 378.806 3.554 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237623539 1042290050 /nfs/dbraw/zinc/29/00/50/1042290050.db2.gz JOGNTSLJEXFOCD-CYBMUJFWSA-N 1 2 378.806 3.554 20 10 GHCDLO COc1cc(C[NH+]2CC(Oc3ccccc3C(F)(F)F)C2)c(O)c(OC)c1 ZINC001237675688 1042316997 /nfs/dbraw/zinc/31/69/97/1042316997.db2.gz DYIJOHFMALFKCL-UHFFFAOYSA-N 1 2 383.366 3.691 20 10 GHCDLO NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1O ZINC001237798482 1042375561 /nfs/dbraw/zinc/37/55/61/1042375561.db2.gz GNDWYWDYUBUPBZ-MSOLQXFVSA-N 1 2 376.859 3.808 20 10 GHCDLO NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1O ZINC001237798482 1042375566 /nfs/dbraw/zinc/37/55/66/1042375566.db2.gz GNDWYWDYUBUPBZ-MSOLQXFVSA-N 1 2 376.859 3.808 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237805323 1042379695 /nfs/dbraw/zinc/37/96/95/1042379695.db2.gz LLFPCSUCRHSNOM-DRXBFXEBSA-N 1 2 384.879 3.920 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237805323 1042379699 /nfs/dbraw/zinc/37/96/99/1042379699.db2.gz LLFPCSUCRHSNOM-DRXBFXEBSA-N 1 2 384.879 3.920 20 10 GHCDLO Cc1cc(F)cc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c1O ZINC001238059589 1042478196 /nfs/dbraw/zinc/47/81/96/1042478196.db2.gz AOMIYNQUPDBRFO-IBGZPJMESA-N 1 2 399.510 3.972 20 10 GHCDLO Cc1cc(F)cc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c1O ZINC001238059589 1042478199 /nfs/dbraw/zinc/47/81/99/1042478199.db2.gz AOMIYNQUPDBRFO-IBGZPJMESA-N 1 2 399.510 3.972 20 10 GHCDLO CCOc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(Br)cn1 ZINC001238415352 1042588902 /nfs/dbraw/zinc/58/89/02/1042588902.db2.gz YRKYCGSAIZRWNC-UHFFFAOYSA-N 1 2 378.314 3.941 20 10 GHCDLO CCOc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(Br)cn1 ZINC001238415352 1042588906 /nfs/dbraw/zinc/58/89/06/1042588906.db2.gz YRKYCGSAIZRWNC-UHFFFAOYSA-N 1 2 378.314 3.941 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(F)c(OC(C)C)c3)CC2)c(OC)c1 ZINC001238464663 1042604961 /nfs/dbraw/zinc/60/49/61/1042604961.db2.gz NRELEALGMDUIDP-UHFFFAOYSA-N 1 2 388.483 3.952 20 10 GHCDLO CC(C)Oc1ccc(-c2nnc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)o2)cc1 ZINC001256932128 1043758060 /nfs/dbraw/zinc/75/80/60/1043758060.db2.gz ZEKAQFLBBNNOPS-UHFFFAOYSA-N 1 2 395.459 3.729 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c1 ZINC001279648828 1047891093 /nfs/dbraw/zinc/89/10/93/1047891093.db2.gz UZAYQIJRBIYXAJ-ROUUACIJSA-N 1 2 390.325 3.640 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c1 ZINC001279648828 1047891105 /nfs/dbraw/zinc/89/11/05/1047891105.db2.gz UZAYQIJRBIYXAJ-ROUUACIJSA-N 1 2 390.325 3.640 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc[nH]2)c1 ZINC001279648828 1047891117 /nfs/dbraw/zinc/89/11/17/1047891117.db2.gz UZAYQIJRBIYXAJ-ROUUACIJSA-N 1 2 390.325 3.640 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccc[nH]2)c1 ZINC001279648828 1047891128 /nfs/dbraw/zinc/89/11/28/1047891128.db2.gz UZAYQIJRBIYXAJ-ROUUACIJSA-N 1 2 390.325 3.640 20 10 GHCDLO Cc1ncsc1CN1C[C@@H]2CC[N@H+](Cc3c(O)ccc(F)c3Cl)[C@@H]2C1 ZINC001279684805 1047914217 /nfs/dbraw/zinc/91/42/17/1047914217.db2.gz UOPQHESCOJCXDP-SWLSCSKDSA-N 1 2 381.904 3.656 20 10 GHCDLO Cc1ncsc1CN1C[C@@H]2CC[N@@H+](Cc3c(O)ccc(F)c3Cl)[C@@H]2C1 ZINC001279684805 1047914220 /nfs/dbraw/zinc/91/42/20/1047914220.db2.gz UOPQHESCOJCXDP-SWLSCSKDSA-N 1 2 381.904 3.656 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+](C)CC1CCC1 ZINC001308138088 1049878154 /nfs/dbraw/zinc/87/81/54/1049878154.db2.gz VIBCNBJSSZYBSD-AWEZNQCLSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+](C)CC1CCC1 ZINC001308138088 1049878160 /nfs/dbraw/zinc/87/81/60/1049878160.db2.gz VIBCNBJSSZYBSD-AWEZNQCLSA-N 1 2 376.456 3.521 20 10 GHCDLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cc(F)cc(F)c1O ZINC001308597990 1050026144 /nfs/dbraw/zinc/02/61/44/1050026144.db2.gz KQDQQEOJWJSZPF-UHFFFAOYSA-N 1 2 385.208 3.503 20 10 GHCDLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cc(F)cc(F)c1O ZINC001308597990 1050026147 /nfs/dbraw/zinc/02/61/47/1050026147.db2.gz KQDQQEOJWJSZPF-UHFFFAOYSA-N 1 2 385.208 3.503 20 10 GHCDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4ccc(Cl)s4)C3)cc2)CC1 ZINC001336721631 1052316085 /nfs/dbraw/zinc/31/60/85/1052316085.db2.gz MSVCUUGZBAKWSK-SFHVURJKSA-N 1 2 392.952 3.936 20 10 GHCDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@H](c4ccc(Cl)s4)C3)cc2)CC1 ZINC001336721631 1052316092 /nfs/dbraw/zinc/31/60/92/1052316092.db2.gz MSVCUUGZBAKWSK-SFHVURJKSA-N 1 2 392.952 3.936 20 10 GHCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001324104390 1057070710 /nfs/dbraw/zinc/07/07/10/1057070710.db2.gz YJBBFYMYJJMOTB-QGZVFWFLSA-N 1 2 394.302 3.765 20 10 GHCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001324104390 1057070714 /nfs/dbraw/zinc/07/07/14/1057070714.db2.gz YJBBFYMYJJMOTB-QGZVFWFLSA-N 1 2 394.302 3.765 20 10 GHCDLO COC(=O)N1CCN(c2ccc(N[C@H]3C[C@@H](C)c4c3c(O)ccc4C)c[nH+]2)CC1 ZINC001324967441 1057255401 /nfs/dbraw/zinc/25/54/01/1057255401.db2.gz DTWSUHXDQAUBQR-WBVHZDCISA-N 1 2 396.491 3.644 20 10 GHCDLO Cc1cc(CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccc1 ZINC001446010764 1059676766 /nfs/dbraw/zinc/67/67/66/1059676766.db2.gz BZZHREKAIZPTEA-HTAPYJJXSA-N 1 2 376.504 3.943 20 10 GHCDLO CC(C)(C)OC(=O)NCC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(F)F ZINC001347792003 1062670662 /nfs/dbraw/zinc/67/06/62/1062670662.db2.gz MUMIICIKABWBCM-QGZVFWFLSA-N 1 2 383.483 3.925 20 10 GHCDLO O=C(NCc1c(O)cccc1F)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001465937686 1065930458 /nfs/dbraw/zinc/93/04/58/1065930458.db2.gz XRPIAHYIRZDAAH-UHFFFAOYSA-N 1 2 378.407 3.768 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001477673872 1078520297 /nfs/dbraw/zinc/52/02/97/1078520297.db2.gz UILPLQRFUYAJTA-GOSISDBHSA-N 1 2 391.519 3.677 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCc1ccccn1 ZINC001473914421 1074201640 /nfs/dbraw/zinc/20/16/40/1074201640.db2.gz SSSIAWCIGOVAII-UHFFFAOYSA-N 1 2 386.087 3.645 20 10 GHCDLO CN(C)C(=O)Nc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001474124370 1074268823 /nfs/dbraw/zinc/26/88/23/1074268823.db2.gz GWZZXNIBXQHOGP-UHFFFAOYSA-N 1 2 396.260 3.677 20 10 GHCDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC001474316337 1074338485 /nfs/dbraw/zinc/33/84/85/1074338485.db2.gz OWEZPHQDQGJCGA-JTQLQIEISA-N 1 2 391.281 3.639 20 10 GHCDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC001474316337 1074338494 /nfs/dbraw/zinc/33/84/94/1074338494.db2.gz OWEZPHQDQGJCGA-JTQLQIEISA-N 1 2 391.281 3.639 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1Cl ZINC001474337858 1074350773 /nfs/dbraw/zinc/35/07/73/1074350773.db2.gz CBFPHVXMLYJLMZ-UHFFFAOYSA-N 1 2 387.911 3.724 20 10 GHCDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588406608 841027679 /nfs/dbraw/zinc/02/76/79/841027679.db2.gz MMHCSRYPDIRWDZ-ACRUDFBXSA-N 1 2 386.879 3.670 20 10 GHCDLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000731117259 861476740 /nfs/dbraw/zinc/47/67/40/861476740.db2.gz ZVNKETBHHYASDL-UHFFFAOYSA-N 1 2 396.535 3.943 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000894749358 852085261 /nfs/dbraw/zinc/08/52/61/852085261.db2.gz ZXYXZHDMDVJRLG-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000894749358 852085268 /nfs/dbraw/zinc/08/52/68/852085268.db2.gz ZXYXZHDMDVJRLG-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1O ZINC000281177407 862871848 /nfs/dbraw/zinc/87/18/48/862871848.db2.gz QIKAGCRCKROSRL-NOZJJQNGSA-N 1 2 377.309 3.953 20 10 GHCDLO CN(C)c1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1F ZINC000923002040 858937902 /nfs/dbraw/zinc/93/79/02/858937902.db2.gz ZJZUXOCFWYQSSM-UHFFFAOYSA-N 1 2 379.277 3.613 20 10 GHCDLO COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000729577027 865265778 /nfs/dbraw/zinc/26/57/78/865265778.db2.gz ZZACDICLCVCULB-JKSUJKDBSA-N 1 2 399.491 3.677 20 10 GHCDLO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3[O-])cc2F)CC1 ZINC000185393651 866054123 /nfs/dbraw/zinc/05/41/23/866054123.db2.gz VXXAMOZLBQBIOV-HNNXBMFYSA-N 1 2 375.463 3.663 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000793206263 882032092 /nfs/dbraw/zinc/03/20/92/882032092.db2.gz DLPMOAFOSRAEAB-UHFFFAOYSA-N 1 2 376.657 3.714 20 10 GHCDLO C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000775608857 871923199 /nfs/dbraw/zinc/92/31/99/871923199.db2.gz LXBYZSZQUYAEDN-KRWDZBQOSA-N 1 2 393.491 3.911 20 10 GHCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000526819954 872246483 /nfs/dbraw/zinc/24/64/83/872246483.db2.gz YDWLUZLTHLRNHG-UHFFFAOYSA-N 1 2 391.519 3.871 20 10 GHCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1O ZINC000775650703 872349423 /nfs/dbraw/zinc/34/94/23/872349423.db2.gz UWFMGFLQSSRKMA-UHFFFAOYSA-N 1 2 397.906 3.722 20 10 GHCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000775657485 872390996 /nfs/dbraw/zinc/39/09/96/872390996.db2.gz BMIFSCNHKKRDCJ-CQSZACIVSA-N 1 2 389.801 3.936 20 10 GHCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000775657485 872391018 /nfs/dbraw/zinc/39/10/18/872391018.db2.gz BMIFSCNHKKRDCJ-CQSZACIVSA-N 1 2 389.801 3.936 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)C[C@@H]1CCCCO1 ZINC000775661436 872464168 /nfs/dbraw/zinc/46/41/68/872464168.db2.gz NQSGIAJSZRSIDF-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)C[C@@H]1CCCCO1 ZINC000775661436 872464174 /nfs/dbraw/zinc/46/41/74/872464174.db2.gz NQSGIAJSZRSIDF-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)CC1(O)CCCC1 ZINC000775709245 873035955 /nfs/dbraw/zinc/03/59/55/873035955.db2.gz RJYDPBBLWOJVMM-UHFFFAOYSA-N 1 2 393.119 3.654 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)CC1(O)CCCC1 ZINC000775709245 873035969 /nfs/dbraw/zinc/03/59/69/873035969.db2.gz RJYDPBBLWOJVMM-UHFFFAOYSA-N 1 2 393.119 3.654 20 10 GHCDLO O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CC[NH+](C2CCC2)CC1 ZINC001197154120 873627876 /nfs/dbraw/zinc/62/78/76/873627876.db2.gz HYNIMSSCSABCBA-QURGRASLSA-N 1 2 384.505 3.961 20 10 GHCDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)c(C)o1 ZINC000768922345 873691851 /nfs/dbraw/zinc/69/18/51/873691851.db2.gz OLWAAUXDOXESHJ-UHFFFAOYSA-N 1 2 381.520 3.845 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(Br)cc(F)c1O ZINC000528001533 873869926 /nfs/dbraw/zinc/86/99/26/873869926.db2.gz JZYIRQHSBJXESF-MGPLVRAMSA-N 1 2 393.256 3.771 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCOC3(CCOCC3)CC2)c(C)n1-c1ccccc1C ZINC000769227518 873904735 /nfs/dbraw/zinc/90/47/35/873904735.db2.gz FSAUWIPIXIECOZ-UHFFFAOYSA-N 1 2 396.531 3.857 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCOC3(CCOCC3)CC2)c(C)n1-c1ccccc1C ZINC000769227518 873904741 /nfs/dbraw/zinc/90/47/41/873904741.db2.gz FSAUWIPIXIECOZ-UHFFFAOYSA-N 1 2 396.531 3.857 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCOC3(CCOCC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000769227842 873904859 /nfs/dbraw/zinc/90/48/59/873904859.db2.gz HVGMGPICBMFXNS-UHFFFAOYSA-N 1 2 396.531 3.857 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCOC3(CCOCC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000769227842 873904862 /nfs/dbraw/zinc/90/48/62/873904862.db2.gz HVGMGPICBMFXNS-UHFFFAOYSA-N 1 2 396.531 3.857 20 10 GHCDLO CS[C@@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1ccc(N)[nH+]c1 ZINC001201293006 875599799 /nfs/dbraw/zinc/59/97/99/875599799.db2.gz VKQBDKKXOJUIOU-HXUWFJFHSA-N 1 2 392.484 3.528 20 10 GHCDLO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776218868 875892654 /nfs/dbraw/zinc/89/26/54/875892654.db2.gz LQXPIWNQRGBVLL-SKDRFNHKSA-N 1 2 395.135 3.804 20 10 GHCDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000153162665 883022030 /nfs/dbraw/zinc/02/20/30/883022030.db2.gz HBXZZAGWXSDXJP-LJQANCHMSA-N 1 2 394.519 3.910 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(Br)c(F)cc1O ZINC000850501265 876976728 /nfs/dbraw/zinc/97/67/28/876976728.db2.gz LOECYSLEVFONHJ-MKSSWNJWSA-N 1 2 378.307 3.634 20 10 GHCDLO COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1O)[C@H]1CCCO1 ZINC000788618299 878214077 /nfs/dbraw/zinc/21/40/77/878214077.db2.gz ADQZDMZMVLKLNS-BIGNPOOSSA-N 1 2 378.694 3.653 20 10 GHCDLO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+]Cc3cccc(Cl)c3O)on2)C1 ZINC000898218903 884636148 /nfs/dbraw/zinc/63/61/48/884636148.db2.gz SCKOILHAWXJYTB-UHFFFAOYSA-N 1 2 393.871 3.658 20 10 GHCDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000119483518 887153577 /nfs/dbraw/zinc/15/35/77/887153577.db2.gz MFTNAYZMIXDFIK-UHFFFAOYSA-N 1 2 396.491 3.657 20 10 GHCDLO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000119483518 887153587 /nfs/dbraw/zinc/15/35/87/887153587.db2.gz MFTNAYZMIXDFIK-UHFFFAOYSA-N 1 2 396.491 3.657 20 10 GHCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H](C)CCCC(C)C)cc12 ZINC001184362914 913147345 /nfs/dbraw/zinc/14/73/45/913147345.db2.gz WNNXTYPSOWIIDE-INIZCTEOSA-N 1 2 388.508 3.570 20 10 GHCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H](C)CCCC(C)C)cc12 ZINC001184362914 913147353 /nfs/dbraw/zinc/14/73/53/913147353.db2.gz WNNXTYPSOWIIDE-INIZCTEOSA-N 1 2 388.508 3.570 20 10 GHCDLO CN(C)c1ccc(C[NH2+]Cc2nc3ccccn3c2Br)cc1F ZINC000809610922 887582594 /nfs/dbraw/zinc/58/25/94/887582594.db2.gz JVXFVQYTHQPUCN-UHFFFAOYSA-N 1 2 377.261 3.592 20 10 GHCDLO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000810256761 888359727 /nfs/dbraw/zinc/35/97/27/888359727.db2.gz GDFINOGXSFAOFK-HLTSFMKQSA-N 1 2 381.108 3.991 20 10 GHCDLO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000810256764 888360351 /nfs/dbraw/zinc/36/03/51/888360351.db2.gz GDFINOGXSFAOFK-VGMNWLOBSA-N 1 2 381.108 3.991 20 10 GHCDLO CN(C)c1ccc(CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C2CC2)cc1 ZINC000873967815 891909110 /nfs/dbraw/zinc/90/91/10/891909110.db2.gz XNUDVJFTQQLZGD-QGZVFWFLSA-N 1 2 380.414 3.634 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774845580 913740867 /nfs/dbraw/zinc/74/08/67/913740867.db2.gz IXXAVGHIPXRUJW-QGZVFWFLSA-N 1 2 382.420 3.533 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774845580 913740879 /nfs/dbraw/zinc/74/08/79/913740879.db2.gz IXXAVGHIPXRUJW-QGZVFWFLSA-N 1 2 382.420 3.533 20 10 GHCDLO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c1O ZINC000815658230 894073003 /nfs/dbraw/zinc/07/30/03/894073003.db2.gz WQMKBXSREIMQOT-CYBMUJFWSA-N 1 2 387.281 3.895 20 10 GHCDLO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816497601 894877283 /nfs/dbraw/zinc/87/72/83/894877283.db2.gz JVFVEQMSEQEKNS-UHFFFAOYSA-N 1 2 394.849 3.601 20 10 GHCDLO O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816497601 894877296 /nfs/dbraw/zinc/87/72/96/894877296.db2.gz JVFVEQMSEQEKNS-UHFFFAOYSA-N 1 2 394.849 3.601 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000823576483 899094898 /nfs/dbraw/zinc/09/48/98/899094898.db2.gz POZJAFBJQSQJCM-SFHVURJKSA-N 1 2 397.393 3.510 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000823576483 899094910 /nfs/dbraw/zinc/09/49/10/899094910.db2.gz POZJAFBJQSQJCM-SFHVURJKSA-N 1 2 397.393 3.510 20 10 GHCDLO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Br)c1O ZINC000824500905 899669531 /nfs/dbraw/zinc/66/95/31/899669531.db2.gz AMRGLLBKTICPLB-GFCCVEGCSA-N 1 2 387.318 3.938 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc(Br)c(F)cc2O)[C@@H](c2ccccc2)C1 ZINC001144299530 901648984 /nfs/dbraw/zinc/64/89/84/901648984.db2.gz ZXMZKSXCLFVBQW-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(Br)c(F)cc2O)[C@@H](c2ccccc2)C1 ZINC001144299530 901648990 /nfs/dbraw/zinc/64/89/90/901648990.db2.gz ZXMZKSXCLFVBQW-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1noc(-c2ccccc2)n1 ZINC000124247827 902042971 /nfs/dbraw/zinc/04/29/71/902042971.db2.gz XYGHGFVOYMTDET-DLBZAZTESA-N 1 2 378.476 3.985 20 10 GHCDLO COC(=O)[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000846108759 902683948 /nfs/dbraw/zinc/68/39/48/902683948.db2.gz RFPNJJSPKVLHFR-SYYKKAFVSA-N 1 2 383.488 3.896 20 10 GHCDLO Cc1cc(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000779096562 904136491 /nfs/dbraw/zinc/13/64/91/904136491.db2.gz YDRQQULUIKNWKT-SFHVURJKSA-N 1 2 382.895 3.618 20 10 GHCDLO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(N2CCOCC2)cc1Cl ZINC000773034909 904391493 /nfs/dbraw/zinc/39/14/93/904391493.db2.gz JBVNZCNTAMVIAF-INIZCTEOSA-N 1 2 397.910 3.608 20 10 GHCDLO COc1c(O)c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795436 921169811 /nfs/dbraw/zinc/16/98/11/921169811.db2.gz NLHOVFXLDIWKJI-DYVFJYSZSA-N 1 2 391.493 3.543 20 10 GHCDLO COc1c(O)c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795436 921169837 /nfs/dbraw/zinc/16/98/37/921169837.db2.gz NLHOVFXLDIWKJI-DYVFJYSZSA-N 1 2 391.493 3.543 20 10 GHCDLO COc1c([O-])c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795436 921169855 /nfs/dbraw/zinc/16/98/55/921169855.db2.gz NLHOVFXLDIWKJI-DYVFJYSZSA-N 1 2 391.493 3.543 20 10 GHCDLO CN(C)c1ccc(C[N@H+](Cc2c(C(=O)OC(C)(C)C)cnn2C)C2CC2)cc1 ZINC001180557746 910237873 /nfs/dbraw/zinc/23/78/73/910237873.db2.gz GLEQNLIPEYLVPT-UHFFFAOYSA-N 1 2 384.524 3.606 20 10 GHCDLO CN(C)c1ccc(C[N@@H+](Cc2c(C(=O)OC(C)(C)C)cnn2C)C2CC2)cc1 ZINC001180557746 910237889 /nfs/dbraw/zinc/23/78/89/910237889.db2.gz GLEQNLIPEYLVPT-UHFFFAOYSA-N 1 2 384.524 3.606 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC001182766120 912035961 /nfs/dbraw/zinc/03/59/61/912035961.db2.gz ZJMVBXRFCCPKIC-XOBRGWDASA-N 1 2 382.451 3.797 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC001182766120 912035976 /nfs/dbraw/zinc/03/59/76/912035976.db2.gz ZJMVBXRFCCPKIC-XOBRGWDASA-N 1 2 382.451 3.797 20 10 GHCDLO COC1CCN(c2ccc(CN3CC[NH+]([C@H](C)c4cccnc4)CC3)cc2)CC1 ZINC000295088774 917136124 /nfs/dbraw/zinc/13/61/24/917136124.db2.gz RYZWPQYLPYXWNI-HXUWFJFHSA-N 1 2 394.563 3.576 20 10 GHCDLO COCCn1cc(C[NH2+][C@H](C)c2cc(Br)cc(Cl)c2O)cn1 ZINC000800494621 920183053 /nfs/dbraw/zinc/18/30/53/920183053.db2.gz FPUYWXLRBVKTQX-SNVBAGLBSA-N 1 2 388.693 3.502 20 10 GHCDLO Cc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c1 ZINC000800540847 920258701 /nfs/dbraw/zinc/25/87/01/920258701.db2.gz OAXZGOZVPDGVSG-LJQANCHMSA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c1 ZINC000800540847 920258705 /nfs/dbraw/zinc/25/87/05/920258705.db2.gz OAXZGOZVPDGVSG-LJQANCHMSA-N 1 2 383.492 3.890 20 10 GHCDLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1c1cccc(F)c1)C(F)(F)F ZINC000827140839 924889740 /nfs/dbraw/zinc/88/97/40/924889740.db2.gz NVECLDMRBYFUGV-IAGOWNOFSA-N 1 2 396.384 3.568 20 10 GHCDLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1c1cccc(F)c1)C(F)(F)F ZINC000827140839 924889743 /nfs/dbraw/zinc/88/97/43/924889743.db2.gz NVECLDMRBYFUGV-IAGOWNOFSA-N 1 2 396.384 3.568 20 10 GHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2Cl)C1 ZINC000374371118 927065871 /nfs/dbraw/zinc/06/58/71/927065871.db2.gz IAWMNKLFRJJKER-DOTOQJQBSA-N 1 2 386.927 3.652 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@@H]1CCCOC1 ZINC000780780097 931271161 /nfs/dbraw/zinc/27/11/61/931271161.db2.gz ICUMEBAVCUBWIC-VHSXEESVSA-N 1 2 393.119 3.822 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@H]1CCCOC1 ZINC000780780098 931271496 /nfs/dbraw/zinc/27/14/96/931271496.db2.gz ICUMEBAVCUBWIC-ZJUUUORDSA-N 1 2 393.119 3.822 20 10 GHCDLO Cc1cc(N2CCC([NH2+][C@H](C)c3cc(Br)c(F)cc3O)CC2)n[nH]1 ZINC000784051104 931767649 /nfs/dbraw/zinc/76/76/49/931767649.db2.gz JOQYCHPXSNKQEF-LLVKDONJSA-N 1 2 397.292 3.645 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(Br)cc(F)c1O ZINC000926927335 932352232 /nfs/dbraw/zinc/35/22/32/932352232.db2.gz HIRAXXNFLVGKLF-ZETCQYMHSA-N 1 2 396.182 3.897 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(Br)cc(F)c1O ZINC000927018499 932383285 /nfs/dbraw/zinc/38/32/85/932383285.db2.gz ZNEGUXPNHRBINX-DGCLKSJQSA-N 1 2 388.277 3.673 20 10 GHCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000799886411 933151733 /nfs/dbraw/zinc/15/17/33/933151733.db2.gz PJVPXWBFWRSEDQ-HOTGVXAUSA-N 1 2 389.931 3.661 20 10 GHCDLO O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001116442883 933561177 /nfs/dbraw/zinc/56/11/77/933561177.db2.gz VDRFEFNAXVKJKX-UHFFFAOYSA-N 1 2 385.458 3.523 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC001118874313 934273618 /nfs/dbraw/zinc/27/36/18/934273618.db2.gz XRGVGPRHEWEWLS-GOSISDBHSA-N 1 2 376.460 3.650 20 10 GHCDLO COc1cc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(O)c1O ZINC001204345071 1032785704 /nfs/dbraw/zinc/78/57/04/1032785704.db2.gz GSGJWQNTRHICHI-UHFFFAOYSA-N 1 2 383.275 3.735 20 10 GHCDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(O)c1OC ZINC001204533181 1032955239 /nfs/dbraw/zinc/95/52/39/1032955239.db2.gz CRHBPHAOQTUCSQ-KRWDZBQOSA-N 1 2 381.831 3.775 20 10 GHCDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(O)c1OC ZINC001204533181 1032955241 /nfs/dbraw/zinc/95/52/41/1032955241.db2.gz CRHBPHAOQTUCSQ-KRWDZBQOSA-N 1 2 381.831 3.775 20 10 GHCDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cccc(Br)c1O ZINC000800543470 1021318551 /nfs/dbraw/zinc/31/85/51/1021318551.db2.gz CFIWAXUAPZBLEY-CQSZACIVSA-N 1 2 391.309 3.806 20 10 GHCDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000800543470 1021318569 /nfs/dbraw/zinc/31/85/69/1021318569.db2.gz CFIWAXUAPZBLEY-CQSZACIVSA-N 1 2 391.309 3.806 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1cc(Br)c(F)cc1O ZINC000834896671 1021639903 /nfs/dbraw/zinc/63/99/03/1021639903.db2.gz MLRYDPKKLMXHOC-RVPKQNPDSA-N 1 2 398.276 3.598 20 10 GHCDLO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(Cl)c1O ZINC000834908998 1021670288 /nfs/dbraw/zinc/67/02/88/1021670288.db2.gz HXBDMXSNVIUWGL-CZUORRHYSA-N 1 2 384.904 3.722 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140581340 1022002278 /nfs/dbraw/zinc/00/22/78/1022002278.db2.gz PAAOFBLVXLFOTP-PZJWPPBQSA-N 1 2 390.430 3.516 20 10 GHCDLO Cc1c(O)ccc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1O ZINC001140742537 1022401183 /nfs/dbraw/zinc/40/11/83/1022401183.db2.gz REURONGQNMCLJL-UHFFFAOYSA-N 1 2 380.410 3.743 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c(O)c1 ZINC001140850410 1022695256 /nfs/dbraw/zinc/69/52/56/1022695256.db2.gz KSYTYCFQYQOCLK-KRWDZBQOSA-N 1 2 395.519 3.629 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c(O)c1 ZINC001140850410 1022695261 /nfs/dbraw/zinc/69/52/61/1022695261.db2.gz KSYTYCFQYQOCLK-KRWDZBQOSA-N 1 2 395.519 3.629 20 10 GHCDLO COc1cc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000754727639 1022863242 /nfs/dbraw/zinc/86/32/42/1022863242.db2.gz LFZDODWELPRJCP-UHFFFAOYSA-N 1 2 388.533 3.718 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)Cc2cn(CC)nc21 ZINC001140924764 1022900923 /nfs/dbraw/zinc/90/09/23/1022900923.db2.gz UQYLRUBDQSIWCQ-KRWDZBQOSA-N 1 2 376.932 3.758 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)Cc2cn(CC)nc21 ZINC001140924764 1022900925 /nfs/dbraw/zinc/90/09/25/1022900925.db2.gz UQYLRUBDQSIWCQ-KRWDZBQOSA-N 1 2 376.932 3.758 20 10 GHCDLO CSCC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1nnc2ccccn21 ZINC000756364948 1023608293 /nfs/dbraw/zinc/60/82/93/1023608293.db2.gz MFGBZXYEGGXICO-ABAIWWIYSA-N 1 2 378.448 3.858 20 10 GHCDLO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Br)cc(F)c1O ZINC000756380137 1023619256 /nfs/dbraw/zinc/61/92/56/1023619256.db2.gz STEAOTQJVSVAKT-NSHDSACASA-N 1 2 395.272 3.846 20 10 GHCDLO C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000756382896 1023622036 /nfs/dbraw/zinc/62/20/36/1023622036.db2.gz GDMWRCFOVHYWAJ-MRXNPFEDSA-N 1 2 375.463 3.533 20 10 GHCDLO Cc1cccc([C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)N2CCOCC2)c1 ZINC000756408436 1023632563 /nfs/dbraw/zinc/63/25/63/1023632563.db2.gz MPAWUADESARYTB-MGPUTAFESA-N 1 2 376.447 3.703 20 10 GHCDLO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cc(F)cc(F)c1O ZINC000756456367 1023662113 /nfs/dbraw/zinc/66/21/13/1023662113.db2.gz GSUDMNVKPGEOHC-AWEZNQCLSA-N 1 2 376.447 3.730 20 10 GHCDLO C[C@H]([NH2+]CCn1cnc2ccccc21)c1cc(Br)cc(F)c1O ZINC000756483736 1023680288 /nfs/dbraw/zinc/68/02/88/1023680288.db2.gz XDEKCMKMPWTMNB-NSHDSACASA-N 1 2 378.245 3.994 20 10 GHCDLO C[C@@H]([NH2+]CCOCC1CC1)c1cc(Br)cc(Br)c1O ZINC000756550611 1023710422 /nfs/dbraw/zinc/71/04/22/1023710422.db2.gz JFTGNUUXIGNDJJ-SECBINFHSA-N 1 2 393.119 3.994 20 10 GHCDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(Br)cc1O ZINC000756742134 1023795374 /nfs/dbraw/zinc/79/53/74/1023795374.db2.gz KFTPQXOHUYHJBK-SNVBAGLBSA-N 1 2 391.244 3.930 20 10 GHCDLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(Br)cc1O ZINC000756742134 1023795380 /nfs/dbraw/zinc/79/53/80/1023795380.db2.gz KFTPQXOHUYHJBK-SNVBAGLBSA-N 1 2 391.244 3.930 20 10 GHCDLO Oc1c(F)cccc1C[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001138128475 1024177811 /nfs/dbraw/zinc/17/78/11/1024177811.db2.gz MMWPMSKWHNJOBP-UHFFFAOYSA-N 1 2 376.229 3.541 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1F ZINC001138219707 1024392087 /nfs/dbraw/zinc/39/20/87/1024392087.db2.gz MBOOJCJERIJJPU-RBUKOAKNSA-N 1 2 377.504 3.724 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1F ZINC001138219707 1024392115 /nfs/dbraw/zinc/39/21/15/1024392115.db2.gz MBOOJCJERIJJPU-RBUKOAKNSA-N 1 2 377.504 3.724 20 10 GHCDLO COC(=O)CC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141367872 1024741695 /nfs/dbraw/zinc/74/16/95/1024741695.db2.gz UZQFXHLFIPLQEH-UHFFFAOYSA-N 1 2 376.678 3.583 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3ccncc3NC(=O)C(C)(C)C)CC2)cc1 ZINC001138459340 1024885885 /nfs/dbraw/zinc/88/58/85/1024885885.db2.gz NDNYMVZDHPAYCN-UHFFFAOYSA-N 1 2 396.535 3.787 20 10 GHCDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839008969 1025513735 /nfs/dbraw/zinc/51/37/35/1025513735.db2.gz MCQOUJMWRMUDFS-UHFFFAOYSA-N 1 2 392.345 3.590 20 10 GHCDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839008969 1025513748 /nfs/dbraw/zinc/51/37/48/1025513748.db2.gz MCQOUJMWRMUDFS-UHFFFAOYSA-N 1 2 392.345 3.590 20 10 GHCDLO COc1cccc(O[C@@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139129362 1025942076 /nfs/dbraw/zinc/94/20/76/1025942076.db2.gz XFIOVKGDYYJBBH-GOSISDBHSA-N 1 2 395.455 3.859 20 10 GHCDLO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139129362 1025942081 /nfs/dbraw/zinc/94/20/81/1025942081.db2.gz XFIOVKGDYYJBBH-GOSISDBHSA-N 1 2 395.455 3.859 20 10 GHCDLO Cc1cc(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c(C)[nH+]1 ZINC000839525006 1026009597 /nfs/dbraw/zinc/00/95/97/1026009597.db2.gz MTQMLBBTWLWFQQ-UHFFFAOYSA-N 1 2 380.492 3.893 20 10 GHCDLO CCc1ccccc1Nc1nc(N)nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000839563519 1026060685 /nfs/dbraw/zinc/06/06/85/1026060685.db2.gz LURXYLYHPXMFKL-OAHLLOKOSA-N 1 2 391.523 3.677 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1ccc(F)c(I)c1)CC2 ZINC001139512776 1026367954 /nfs/dbraw/zinc/36/79/54/1026367954.db2.gz FJLBAMNOEXUXQV-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1ccc(F)c(I)c1)CC2 ZINC001139512776 1026367966 /nfs/dbraw/zinc/36/79/66/1026367966.db2.gz FJLBAMNOEXUXQV-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1ccc(Br)cc1C[NH+]1CCN(c2ncccc2Cl)CC1 ZINC001203645746 1027503002 /nfs/dbraw/zinc/50/30/02/1027503002.db2.gz OXRAIDQDQXAMMC-UHFFFAOYSA-N 1 2 382.689 3.525 20 10 GHCDLO Nc1ccc(CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000841216951 1028293159 /nfs/dbraw/zinc/29/31/59/1028293159.db2.gz KTDXXRLURQLVTK-UHFFFAOYSA-N 1 2 375.476 3.833 20 10 GHCDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(C)n1-c1cccc(Cl)c1 ZINC001142810520 1029513509 /nfs/dbraw/zinc/51/35/09/1029513509.db2.gz QFLCCYUNVPONAL-UHFFFAOYSA-N 1 2 389.927 3.588 20 10 GHCDLO Cc1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c(C)n1-c1cccc(Cl)c1 ZINC001142810520 1029513520 /nfs/dbraw/zinc/51/35/20/1029513520.db2.gz QFLCCYUNVPONAL-UHFFFAOYSA-N 1 2 389.927 3.588 20 10 GHCDLO C[C@H]1[NH2+]C[C@H]1Oc1cc2c(-c3ccccc3)c3cc(O)c(O)cc3oc-2cc1=O ZINC001218386478 1030915676 /nfs/dbraw/zinc/91/56/76/1030915676.db2.gz NFHDFRCOAFMEBV-VERVWZFWSA-N 1 2 389.407 3.715 20 10 GHCDLO COC(=O)c1c(C[NH2+]Cc2cc(F)cnc2Cl)c2cc(F)ccc2n1C ZINC001205959848 1033656536 /nfs/dbraw/zinc/65/65/36/1033656536.db2.gz HXSRQFAAARIPRB-UHFFFAOYSA-N 1 2 379.794 3.581 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC001206085138 1033712959 /nfs/dbraw/zinc/71/29/59/1033712959.db2.gz RVWMFMOMIAAFQM-MRXNPFEDSA-N 1 2 391.284 3.931 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC001206085138 1033712975 /nfs/dbraw/zinc/71/29/75/1033712975.db2.gz RVWMFMOMIAAFQM-MRXNPFEDSA-N 1 2 391.284 3.931 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277509937 1034542259 /nfs/dbraw/zinc/54/22/59/1034542259.db2.gz KGNVMMRMPWDERN-FQEVSTJZSA-N 1 2 380.891 3.942 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277509937 1034542265 /nfs/dbraw/zinc/54/22/65/1034542265.db2.gz KGNVMMRMPWDERN-FQEVSTJZSA-N 1 2 380.891 3.942 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001207868907 1034630664 /nfs/dbraw/zinc/63/06/64/1034630664.db2.gz LDODQTDOLMGONM-FQEVSTJZSA-N 1 2 396.915 3.566 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001207868907 1034630670 /nfs/dbraw/zinc/63/06/70/1034630670.db2.gz LDODQTDOLMGONM-FQEVSTJZSA-N 1 2 396.915 3.566 20 10 GHCDLO COC(=O)/C=C/c1cc(C)c[nH+]c1NCc1cc(Br)ccc1O ZINC001160019723 1034833197 /nfs/dbraw/zinc/83/31/97/1034833197.db2.gz SSIAPELMMVTLNK-ZZXKWVIFSA-N 1 2 377.238 3.656 20 10 GHCDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(N=NC(N)=O)cc3)n2)CC1 ZINC001160450573 1034978004 /nfs/dbraw/zinc/97/80/04/1034978004.db2.gz OGGHFJBRAXRYKO-UHFFFAOYSA-N 1 2 386.481 3.790 20 10 GHCDLO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4cccc(Cl)c4O)C3)C2=O)c1 ZINC001231911334 1034985725 /nfs/dbraw/zinc/98/57/25/1034985725.db2.gz KDOZXRIEJIKLTO-QFIPXVFZSA-N 1 2 384.907 3.979 20 10 GHCDLO Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4cccc(Cl)c4O)C3)C2=O)c1 ZINC001231911334 1034985729 /nfs/dbraw/zinc/98/57/29/1034985729.db2.gz KDOZXRIEJIKLTO-QFIPXVFZSA-N 1 2 384.907 3.979 20 10 GHCDLO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910736 1034985779 /nfs/dbraw/zinc/98/57/79/1034985779.db2.gz VCLLWNDESSDVOL-OAQYLSRUSA-N 1 2 388.870 3.809 20 10 GHCDLO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910736 1034985784 /nfs/dbraw/zinc/98/57/84/1034985784.db2.gz VCLLWNDESSDVOL-OAQYLSRUSA-N 1 2 388.870 3.809 20 10 GHCDLO O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1cccc(Cl)c1O ZINC001231911951 1034986757 /nfs/dbraw/zinc/98/67/57/1034986757.db2.gz UFFGZRTUNXIIEX-NRFANRHFSA-N 1 2 385.895 3.598 20 10 GHCDLO O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001231911951 1034986759 /nfs/dbraw/zinc/98/67/59/1034986759.db2.gz UFFGZRTUNXIIEX-NRFANRHFSA-N 1 2 385.895 3.598 20 10 GHCDLO COc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC001231912961 1034987090 /nfs/dbraw/zinc/98/70/90/1034987090.db2.gz BCJLNISOAWBDAC-UHFFFAOYSA-N 1 2 389.883 3.840 20 10 GHCDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)c1ncc(C(=O)OC)s1 ZINC001461945906 1069907958 /nfs/dbraw/zinc/90/79/58/1069907958.db2.gz ZHYOWPSHXKWMBV-SNVBAGLBSA-N 1 2 399.310 3.981 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)c1ncc(C(=O)OC)s1 ZINC001461945906 1069907961 /nfs/dbraw/zinc/90/79/61/1069907961.db2.gz ZHYOWPSHXKWMBV-SNVBAGLBSA-N 1 2 399.310 3.981 20 10 GHCDLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001248883082 1036223124 /nfs/dbraw/zinc/22/31/24/1036223124.db2.gz VUNNRYJGHCBTTC-AWEZNQCLSA-N 1 2 377.916 3.818 20 10 GHCDLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001248883082 1036223137 /nfs/dbraw/zinc/22/31/37/1036223137.db2.gz VUNNRYJGHCBTTC-AWEZNQCLSA-N 1 2 377.916 3.818 20 10 GHCDLO COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)[NH2+]Cc1cc(C)cc(OC)c1O ZINC001462112286 1070002270 /nfs/dbraw/zinc/00/22/70/1070002270.db2.gz HIPKDXSAGOAXNB-PXNSSMCTSA-N 1 2 383.488 3.851 20 10 GHCDLO Oc1cc(O)c(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1Cl ZINC001232261868 1037982541 /nfs/dbraw/zinc/98/25/41/1037982541.db2.gz RVQIWSOKEVSKBL-UHFFFAOYSA-N 1 2 375.881 3.683 20 10 GHCDLO COc1ccc(Cl)cc1N1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232268184 1037989965 /nfs/dbraw/zinc/98/99/65/1037989965.db2.gz MQPGZKWWYIEVNW-UHFFFAOYSA-N 1 2 383.275 3.735 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(OC)c(Cl)cc3OC)CC2)cc1 ZINC001232370055 1038143926 /nfs/dbraw/zinc/14/39/26/1038143926.db2.gz IMPWIIMOVBZSRN-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO CCc1noc(C2CC[NH+](Cc3c(O)cc(Br)cc3F)CC2)n1 ZINC001233029823 1038783763 /nfs/dbraw/zinc/78/37/63/1038783763.db2.gz JIBPCCYWYFNLKS-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO CC(C)N1CC2(CC1=O)CC[NH+](Cc1c(O)cc(Br)cc1F)CC2 ZINC001233033424 1038788875 /nfs/dbraw/zinc/78/88/75/1038788875.db2.gz NIBZICAUGXOYFR-UHFFFAOYSA-N 1 2 399.304 3.517 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001233333212 1039132039 /nfs/dbraw/zinc/13/20/39/1039132039.db2.gz OAGMTLOCLQJOAS-IBGZPJMESA-N 1 2 395.400 3.803 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001233333212 1039132049 /nfs/dbraw/zinc/13/20/49/1039132049.db2.gz OAGMTLOCLQJOAS-IBGZPJMESA-N 1 2 395.400 3.803 20 10 GHCDLO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233333852 1039133174 /nfs/dbraw/zinc/13/31/74/1039133174.db2.gz JYABFOZBCWPXSP-UHFFFAOYSA-N 1 2 399.441 3.849 20 10 GHCDLO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233333852 1039133190 /nfs/dbraw/zinc/13/31/90/1039133190.db2.gz JYABFOZBCWPXSP-UHFFFAOYSA-N 1 2 399.441 3.849 20 10 GHCDLO Oc1c(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cccc1C(F)(F)F ZINC001233417317 1039274022 /nfs/dbraw/zinc/27/40/22/1039274022.db2.gz PXQWNIYTIUGUDY-ZWKOTPCHSA-N 1 2 377.410 3.655 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cccc1C(F)(F)F ZINC001233417317 1039274035 /nfs/dbraw/zinc/27/40/35/1039274035.db2.gz PXQWNIYTIUGUDY-ZWKOTPCHSA-N 1 2 377.410 3.655 20 10 GHCDLO Oc1c(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cccc1C(F)(F)F ZINC001233417317 1039274053 /nfs/dbraw/zinc/27/40/53/1039274053.db2.gz PXQWNIYTIUGUDY-ZWKOTPCHSA-N 1 2 377.410 3.655 20 10 GHCDLO Oc1c(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cccc1C(F)(F)F ZINC001233417317 1039274063 /nfs/dbraw/zinc/27/40/63/1039274063.db2.gz PXQWNIYTIUGUDY-ZWKOTPCHSA-N 1 2 377.410 3.655 20 10 GHCDLO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3O)C[C@H]12 ZINC001235294847 1040766515 /nfs/dbraw/zinc/76/65/15/1040766515.db2.gz RFDYBGYZXFLQBE-GJZGRUSLSA-N 1 2 376.225 3.706 20 10 GHCDLO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3O)C[C@H]12 ZINC001235294847 1040766526 /nfs/dbraw/zinc/76/65/26/1040766526.db2.gz RFDYBGYZXFLQBE-GJZGRUSLSA-N 1 2 376.225 3.706 20 10 GHCDLO COc1ccc(C[N@H+](C)Cc2cc(F)cc(Br)c2O)c(OC)c1 ZINC001235304131 1040779035 /nfs/dbraw/zinc/77/90/35/1040779035.db2.gz RHJGRARLCXAUJP-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(Br)c2O)c(OC)c1 ZINC001235304131 1040779048 /nfs/dbraw/zinc/77/90/48/1040779048.db2.gz RHJGRARLCXAUJP-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001235309997 1040783974 /nfs/dbraw/zinc/78/39/74/1040783974.db2.gz ZTOHYFUMWLTDIE-GASCZTMLSA-N 1 2 391.284 3.862 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001235309997 1040783995 /nfs/dbraw/zinc/78/39/95/1040783995.db2.gz ZTOHYFUMWLTDIE-GASCZTMLSA-N 1 2 391.284 3.862 20 10 GHCDLO Oc1cccc(Br)c1C[N@@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235791898 1041284836 /nfs/dbraw/zinc/28/48/36/1041284836.db2.gz LGPJDRBYRWDCCJ-MRXNPFEDSA-N 1 2 381.701 3.955 20 10 GHCDLO Oc1cccc(Br)c1C[N@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235791898 1041284852 /nfs/dbraw/zinc/28/48/52/1041284852.db2.gz LGPJDRBYRWDCCJ-MRXNPFEDSA-N 1 2 381.701 3.955 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC001236665220 1041812127 /nfs/dbraw/zinc/81/21/27/1041812127.db2.gz HTURWWHZKNWDQP-UHFFFAOYSA-N 1 2 379.273 3.924 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3cccc(F)c3)CC2)c1 ZINC001236669183 1041816231 /nfs/dbraw/zinc/81/62/31/1041816231.db2.gz HNHDCFQUBUCWKH-UHFFFAOYSA-N 1 2 379.273 3.924 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)c(O)c1Cl ZINC001236810277 1041910388 /nfs/dbraw/zinc/91/03/88/1041910388.db2.gz RCSXOQWJIJCVFY-HNNXBMFYSA-N 1 2 387.867 3.676 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(O)c1Cl ZINC001236810678 1041910422 /nfs/dbraw/zinc/91/04/22/1041910422.db2.gz XOCSJTKTHHQRFP-CQSZACIVSA-N 1 2 392.858 3.588 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(O)c1Cl ZINC001236810678 1041910424 /nfs/dbraw/zinc/91/04/24/1041910424.db2.gz XOCSJTKTHHQRFP-CQSZACIVSA-N 1 2 392.858 3.588 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)c1Cl ZINC001236809768 1041910570 /nfs/dbraw/zinc/91/05/70/1041910570.db2.gz OGHPMFVVTKYKNR-GXTWGEPZSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)c1Cl ZINC001236809768 1041910576 /nfs/dbraw/zinc/91/05/76/1041910576.db2.gz OGHPMFVVTKYKNR-GXTWGEPZSA-N 1 2 384.904 3.932 20 10 GHCDLO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023525 1041942136 /nfs/dbraw/zinc/94/21/36/1041942136.db2.gz ZCBOPAHPRWUJMJ-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023525 1041942138 /nfs/dbraw/zinc/94/21/38/1041942138.db2.gz ZCBOPAHPRWUJMJ-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cc(Br)cc1F ZINC001278043068 1041997025 /nfs/dbraw/zinc/99/70/25/1041997025.db2.gz CRXJZNDOGNIAKR-IUIKQTSFSA-N 1 2 399.304 3.658 20 10 GHCDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)cc(Br)cc1F ZINC001278043068 1041997028 /nfs/dbraw/zinc/99/70/28/1041997028.db2.gz CRXJZNDOGNIAKR-IUIKQTSFSA-N 1 2 399.304 3.658 20 10 GHCDLO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cc(Cl)cc(Cl)c2O)c1 ZINC001237438030 1042207868 /nfs/dbraw/zinc/20/78/68/1042207868.db2.gz ZJWWRMFOKFDKRV-QGZVFWFLSA-N 1 2 395.286 3.632 20 10 GHCDLO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC001237617929 1042284304 /nfs/dbraw/zinc/28/43/04/1042284304.db2.gz UTBTWMKAOMUPKU-GFCCVEGCSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC001237617929 1042284311 /nfs/dbraw/zinc/28/43/11/1042284311.db2.gz UTBTWMKAOMUPKU-GFCCVEGCSA-N 1 2 384.879 3.874 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237619587 1042286127 /nfs/dbraw/zinc/28/61/27/1042286127.db2.gz AKEDIOQSPDRHTG-MRVPVSSYSA-N 1 2 379.741 3.966 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237619587 1042286130 /nfs/dbraw/zinc/28/61/30/1042286130.db2.gz AKEDIOQSPDRHTG-MRVPVSSYSA-N 1 2 379.741 3.966 20 10 GHCDLO O=C1Nc2c(cccc2F)C12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237620247 1042287532 /nfs/dbraw/zinc/28/75/32/1042287532.db2.gz LWWMESNJEDSEOS-UHFFFAOYSA-N 1 2 378.806 3.810 20 10 GHCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237623169 1042289716 /nfs/dbraw/zinc/28/97/16/1042289716.db2.gz JECRPLRZHVLIPW-SFHVURJKSA-N 1 2 378.875 3.518 20 10 GHCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237623169 1042289721 /nfs/dbraw/zinc/28/97/21/1042289721.db2.gz JECRPLRZHVLIPW-SFHVURJKSA-N 1 2 378.875 3.518 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2Cc3nn(C)cc3[C@H](COCC3CC3)C2)c1O ZINC001237678591 1042319674 /nfs/dbraw/zinc/31/96/74/1042319674.db2.gz CPEQNATXQWFWBE-INIZCTEOSA-N 1 2 375.900 3.614 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2Cc3nn(C)cc3[C@H](COCC3CC3)C2)c1O ZINC001237678591 1042319680 /nfs/dbraw/zinc/31/96/80/1042319680.db2.gz CPEQNATXQWFWBE-INIZCTEOSA-N 1 2 375.900 3.614 20 10 GHCDLO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237784158 1042367693 /nfs/dbraw/zinc/36/76/93/1042367693.db2.gz RHLZHWLDNWZTLK-ZJUUUORDSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237784158 1042367697 /nfs/dbraw/zinc/36/76/97/1042367697.db2.gz RHLZHWLDNWZTLK-ZJUUUORDSA-N 1 2 382.220 3.766 20 10 GHCDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237791552 1042371509 /nfs/dbraw/zinc/37/15/09/1042371509.db2.gz JRJXHOARRCATHM-SECBINFHSA-N 1 2 396.203 3.559 20 10 GHCDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237791552 1042371514 /nfs/dbraw/zinc/37/15/14/1042371514.db2.gz JRJXHOARRCATHM-SECBINFHSA-N 1 2 396.203 3.559 20 10 GHCDLO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cc(F)cc(Cl)c2O)CC3)cn1 ZINC001237800009 1042376622 /nfs/dbraw/zinc/37/66/22/1042376622.db2.gz LRWYASKPSBORJG-UHFFFAOYSA-N 1 2 392.906 3.549 20 10 GHCDLO Cn1cc(C[N@H+]2CCCC23CCN(Cc2cc(F)cc(Cl)c2O)CC3)cn1 ZINC001237800009 1042376626 /nfs/dbraw/zinc/37/66/26/1042376626.db2.gz LRWYASKPSBORJG-UHFFFAOYSA-N 1 2 392.906 3.549 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237803341 1042379060 /nfs/dbraw/zinc/37/90/60/1042379060.db2.gz SPYHUDUHAYEACE-CQSZACIVSA-N 1 2 392.833 3.944 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237803341 1042379066 /nfs/dbraw/zinc/37/90/66/1042379066.db2.gz SPYHUDUHAYEACE-CQSZACIVSA-N 1 2 392.833 3.944 20 10 GHCDLO CS(=O)(=O)c1cccc([C@H]2CCC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)c1 ZINC001237939712 1042429673 /nfs/dbraw/zinc/42/96/73/1042429673.db2.gz FJVUNYFWURWJJC-AWEZNQCLSA-N 1 2 397.899 3.968 20 10 GHCDLO CS(=O)(=O)c1cccc([C@H]2CCC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)c1 ZINC001237939712 1042429677 /nfs/dbraw/zinc/42/96/77/1042429677.db2.gz FJVUNYFWURWJJC-AWEZNQCLSA-N 1 2 397.899 3.968 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1)c1cccc(F)c1 ZINC001237939732 1042430336 /nfs/dbraw/zinc/43/03/36/1042430336.db2.gz FPPJYFHTWHBMQV-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO CCn1c2ccccc2nc1N1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237941613 1042431103 /nfs/dbraw/zinc/43/11/03/1042431103.db2.gz ZGXUWMNQUHCJME-UHFFFAOYSA-N 1 2 388.874 3.877 20 10 GHCDLO Cc1cc(F)cc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC3CCCC3)C2)c1O ZINC001238059424 1042478379 /nfs/dbraw/zinc/47/83/79/1042478379.db2.gz CSHKYKXXHGRVBJ-SFHVURJKSA-N 1 2 387.499 3.879 20 10 GHCDLO Cc1cc(F)cc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC3CCCC3)C2)c1O ZINC001238059424 1042478382 /nfs/dbraw/zinc/47/83/82/1042478382.db2.gz CSHKYKXXHGRVBJ-SFHVURJKSA-N 1 2 387.499 3.879 20 10 GHCDLO Oc1cccc(Br)c1C[NH+]1CC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279219959 1047743767 /nfs/dbraw/zinc/74/37/67/1047743767.db2.gz NQDKUVXZIRVPEX-UHFFFAOYSA-N 1 2 393.247 3.615 20 10 GHCDLO COc1ccc(N2CC[C@H](Nc3nc(C)[nH+]c(C)c3Br)C2)cc1 ZINC001307164195 1049113449 /nfs/dbraw/zinc/11/34/49/1049113449.db2.gz OJSFGORMDNVZJC-ZDUSSCGKSA-N 1 2 377.286 3.555 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)cc1 ZINC001324644670 1057188719 /nfs/dbraw/zinc/18/87/19/1057188719.db2.gz NZLIMZQECDDXBB-UHFFFAOYSA-N 1 2 390.487 3.990 20 10 GHCDLO O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001347819217 1062699817 /nfs/dbraw/zinc/69/98/17/1062699817.db2.gz BGDHGKMGDVGIND-RTWAWAEBSA-N 1 2 394.475 3.920 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)Cc1cnc(N(C)C)c2ccccc12 ZINC001473572780 1074023405 /nfs/dbraw/zinc/02/34/05/1074023405.db2.gz HNXGZCQFRKCTAQ-UHFFFAOYSA-N 1 2 393.487 3.572 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)Cc1cnc(N(C)C)c2ccccc12 ZINC001473572780 1074023411 /nfs/dbraw/zinc/02/34/11/1074023411.db2.gz HNXGZCQFRKCTAQ-UHFFFAOYSA-N 1 2 393.487 3.572 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1cccc2c1OCCCO2 ZINC001474059652 1074251091 /nfs/dbraw/zinc/25/10/91/1074251091.db2.gz HLBFBHGKDJMTQU-UHFFFAOYSA-N 1 2 382.229 3.745 20 10 GHCDLO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC001474268747 1074317766 /nfs/dbraw/zinc/31/77/66/1074317766.db2.gz DHQUTLHLOJUSIL-UHFFFAOYSA-N 1 2 396.182 3.607 20 10 GHCDLO Cc1cccc(-c2noc(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)n2)c1 ZINC000120690369 836089839 /nfs/dbraw/zinc/08/98/39/836089839.db2.gz IUGKYJLSMHIHCU-UHFFFAOYSA-N 1 2 378.476 3.514 20 10 GHCDLO Cc1cccc(-c2noc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)n2)c1 ZINC000120690369 836089850 /nfs/dbraw/zinc/08/98/50/836089850.db2.gz IUGKYJLSMHIHCU-UHFFFAOYSA-N 1 2 378.476 3.514 20 10 GHCDLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](C)Cc2ccccc2O)cs1 ZINC000177601989 836872496 /nfs/dbraw/zinc/87/24/96/836872496.db2.gz NQJYNLOSVHIHBZ-UHFFFAOYSA-N 1 2 381.501 3.970 20 10 GHCDLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+](C)Cc2ccccc2O)cs1 ZINC000177601989 836872501 /nfs/dbraw/zinc/87/25/01/836872501.db2.gz NQJYNLOSVHIHBZ-UHFFFAOYSA-N 1 2 381.501 3.970 20 10 GHCDLO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(Br)c(F)cc1O ZINC000756405285 839073168 /nfs/dbraw/zinc/07/31/68/839073168.db2.gz ZFBZKDWUECLQER-NSHDSACASA-N 1 2 382.277 3.720 20 10 GHCDLO COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000728937538 844443221 /nfs/dbraw/zinc/44/32/21/844443221.db2.gz FCAGLRBLMSHILF-CYBMUJFWSA-N 1 2 390.509 3.726 20 10 GHCDLO Cc1cc(C(=O)[C@@H](C)N2CC[NH+](C)CC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000123053537 841343063 /nfs/dbraw/zinc/34/30/63/841343063.db2.gz LDIDMAOJNJPKLY-MRXNPFEDSA-N 1 2 391.462 3.514 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000382451978 842136536 /nfs/dbraw/zinc/13/65/36/842136536.db2.gz NNFCBQRQPZRKCS-GXTWGEPZSA-N 1 2 399.329 3.938 20 10 GHCDLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141372887 843269872 /nfs/dbraw/zinc/26/98/72/843269872.db2.gz BOMXRRGSMWPSHB-HNNXBMFYSA-N 1 2 376.678 3.583 20 10 GHCDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141372887 843269882 /nfs/dbraw/zinc/26/98/82/843269882.db2.gz BOMXRRGSMWPSHB-HNNXBMFYSA-N 1 2 376.678 3.583 20 10 GHCDLO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141375123 843322506 /nfs/dbraw/zinc/32/25/06/843322506.db2.gz XJSQZQKVIQCAEP-MRXNPFEDSA-N 1 2 390.705 3.973 20 10 GHCDLO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141375123 843322519 /nfs/dbraw/zinc/32/25/19/843322519.db2.gz XJSQZQKVIQCAEP-MRXNPFEDSA-N 1 2 390.705 3.973 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(C)n1-c1ccccc1 ZINC000732813026 862514275 /nfs/dbraw/zinc/51/42/75/862514275.db2.gz RVKKPOWCOIBOEK-OAQYLSRUSA-N 1 2 393.531 3.754 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(C)n1-c1ccccc1 ZINC000732813026 862514285 /nfs/dbraw/zinc/51/42/85/862514285.db2.gz RVKKPOWCOIBOEK-OAQYLSRUSA-N 1 2 393.531 3.754 20 10 GHCDLO CN(Cc1ccc(N2CCCCC2)cc1)c1cc(N2CCSCC2)nc[nH+]1 ZINC000764762602 859600365 /nfs/dbraw/zinc/60/03/65/859600365.db2.gz IQCPXPNNSBMQFB-UHFFFAOYSA-N 1 2 383.565 3.657 20 10 GHCDLO CN(Cc1ccc(N2CCCCC2)cc1)c1cc(N2CCSCC2)[nH+]cn1 ZINC000764762602 859600370 /nfs/dbraw/zinc/60/03/70/859600370.db2.gz IQCPXPNNSBMQFB-UHFFFAOYSA-N 1 2 383.565 3.657 20 10 GHCDLO Cc1[nH]nc(C(C)C)c1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764853343 859645689 /nfs/dbraw/zinc/64/56/89/859645689.db2.gz ACTLMCICLOLYEQ-INIZCTEOSA-N 1 2 390.915 3.595 20 10 GHCDLO Cc1[nH]nc(C(C)C)c1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764853343 859645699 /nfs/dbraw/zinc/64/56/99/859645699.db2.gz ACTLMCICLOLYEQ-INIZCTEOSA-N 1 2 390.915 3.595 20 10 GHCDLO Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764853343 859645703 /nfs/dbraw/zinc/64/57/03/859645703.db2.gz ACTLMCICLOLYEQ-INIZCTEOSA-N 1 2 390.915 3.595 20 10 GHCDLO Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764853343 859645708 /nfs/dbraw/zinc/64/57/08/859645708.db2.gz ACTLMCICLOLYEQ-INIZCTEOSA-N 1 2 390.915 3.595 20 10 GHCDLO C[C@]1(O)CCC[N@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000793249634 882046427 /nfs/dbraw/zinc/04/64/27/882046427.db2.gz HISFPVJLVOVJIT-AWEZNQCLSA-N 1 2 393.119 3.654 20 10 GHCDLO C[C@]1(O)CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000793249634 882046447 /nfs/dbraw/zinc/04/64/47/882046447.db2.gz HISFPVJLVOVJIT-AWEZNQCLSA-N 1 2 393.119 3.654 20 10 GHCDLO Cc1cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)n1-c1ccccn1 ZINC000742857439 867628733 /nfs/dbraw/zinc/62/87/33/867628733.db2.gz CGJNOKJSINFXED-OAQYLSRUSA-N 1 2 399.498 3.936 20 10 GHCDLO COC(C)(C)C[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000775737106 873285005 /nfs/dbraw/zinc/28/50/05/873285005.db2.gz AUDUQDHDFFDGRK-UHFFFAOYSA-N 1 2 381.108 3.774 20 10 GHCDLO COC(C)(C)C[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000775737106 873285023 /nfs/dbraw/zinc/28/50/23/873285023.db2.gz AUDUQDHDFFDGRK-UHFFFAOYSA-N 1 2 381.108 3.774 20 10 GHCDLO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768817629 873600630 /nfs/dbraw/zinc/60/06/30/873600630.db2.gz RZIYBBYUQHHDNK-HNNXBMFYSA-N 1 2 398.894 3.974 20 10 GHCDLO Cc1ccnc(N2CC[NH+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)c1 ZINC000768888915 873650624 /nfs/dbraw/zinc/65/06/24/873650624.db2.gz OCERUOCXMGSSLP-UHFFFAOYSA-N 1 2 395.507 3.611 20 10 GHCDLO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1cccc(Cl)c1O ZINC000776101219 875345349 /nfs/dbraw/zinc/34/53/49/875345349.db2.gz OGINENRVMWFTHC-UHFFFAOYSA-N 1 2 383.673 3.845 20 10 GHCDLO CCOc1cccc(C[NH2+][C@H](C[C@H]2CCCc3ccccc32)C(=O)OC)c1O ZINC000789582833 879081272 /nfs/dbraw/zinc/08/12/72/879081272.db2.gz ZOONGDGNJDFIAC-YLJYHZDGSA-N 1 2 383.488 3.932 20 10 GHCDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cc(Br)ccc1O ZINC000804827446 883389411 /nfs/dbraw/zinc/38/94/11/883389411.db2.gz SJAZIWZIFKODGA-UHFFFAOYSA-N 1 2 376.258 3.662 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC001168200122 885554350 /nfs/dbraw/zinc/55/43/50/885554350.db2.gz FUOYUDLUYRPOFF-BZUAXINKSA-N 1 2 390.483 3.767 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC001168200122 885554367 /nfs/dbraw/zinc/55/43/67/885554367.db2.gz FUOYUDLUYRPOFF-BZUAXINKSA-N 1 2 390.483 3.767 20 10 GHCDLO CCN(CC)c1ccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000777221074 885888361 /nfs/dbraw/zinc/88/83/61/885888361.db2.gz ZJUQBDIGLLXVMK-UHFFFAOYSA-N 1 2 399.486 3.725 20 10 GHCDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000119071183 886580145 /nfs/dbraw/zinc/58/01/45/886580145.db2.gz IRSIGXXQPPXTRC-UHFFFAOYSA-N 1 2 383.540 3.884 20 10 GHCDLO COCc1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)cs1 ZINC000810253667 888356118 /nfs/dbraw/zinc/35/61/18/888356118.db2.gz ZTCFJWYLGFEXAH-CYBMUJFWSA-N 1 2 381.929 3.630 20 10 GHCDLO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866568434 888941453 /nfs/dbraw/zinc/94/14/53/888941453.db2.gz ZXLBSRPSNCAEFQ-GFCCVEGCSA-N 1 2 384.858 3.699 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C)cc3C)CC2)cc1F ZINC000122023911 889310995 /nfs/dbraw/zinc/31/09/95/889310995.db2.gz QPGBABTZRFOYQU-KRWDZBQOSA-N 1 2 385.483 3.600 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000812772341 890947475 /nfs/dbraw/zinc/94/74/75/890947475.db2.gz KYIRZACTHOZKIN-ZDUSSCGKSA-N 1 2 379.273 3.910 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1O)C[C@@H](C)OC ZINC000812809297 891001695 /nfs/dbraw/zinc/00/16/95/891001695.db2.gz UUEHZVGUFOXTPE-SECBINFHSA-N 1 2 381.108 3.774 20 10 GHCDLO CC[N@H+](Cc1cc(Br)cc(Br)c1O)C[C@@H](C)OC ZINC000812809297 891001712 /nfs/dbraw/zinc/00/17/12/891001712.db2.gz UUEHZVGUFOXTPE-SECBINFHSA-N 1 2 381.108 3.774 20 10 GHCDLO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc(Cl)c1O ZINC000287811243 913548035 /nfs/dbraw/zinc/54/80/35/913548035.db2.gz USKSSELXUUCKHE-YVEFUNNKSA-N 1 2 382.913 3.756 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)cc(F)c1O ZINC000248482853 891439718 /nfs/dbraw/zinc/43/97/18/891439718.db2.gz CGCIUTLVUOVNNM-PKWAYOAASA-N 1 2 390.318 3.999 20 10 GHCDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000876208117 893016502 /nfs/dbraw/zinc/01/65/02/893016502.db2.gz LGIASSCPHQMJQN-NRFANRHFSA-N 1 2 391.471 3.884 20 10 GHCDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000876208117 893016520 /nfs/dbraw/zinc/01/65/20/893016520.db2.gz LGIASSCPHQMJQN-NRFANRHFSA-N 1 2 391.471 3.884 20 10 GHCDLO Cc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001135624770 894926664 /nfs/dbraw/zinc/92/66/64/894926664.db2.gz OALQEXSLCMHKCY-UHFFFAOYSA-N 1 2 383.536 3.552 20 10 GHCDLO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000816660354 895005297 /nfs/dbraw/zinc/00/52/97/895005297.db2.gz AKMDWQQKPWFEDM-LKFCYVNXSA-N 1 2 393.119 3.558 20 10 GHCDLO OC[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000816665596 895010270 /nfs/dbraw/zinc/01/02/70/895010270.db2.gz NJFDUWXCKJXMQN-JTQLQIEISA-N 1 2 393.119 3.512 20 10 GHCDLO OC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000816665596 895010284 /nfs/dbraw/zinc/01/02/84/895010284.db2.gz NJFDUWXCKJXMQN-JTQLQIEISA-N 1 2 393.119 3.512 20 10 GHCDLO COc1ccc([C@@H]2COCC[N@H+]2Cc2ccc(N3CCC(OC)CC3)cc2)cc1 ZINC000879737823 895263090 /nfs/dbraw/zinc/26/30/90/895263090.db2.gz KLFDXNNHPRUICL-DEOSSOPVSA-N 1 2 396.531 3.884 20 10 GHCDLO COc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(N3CCC(OC)CC3)cc2)cc1 ZINC000879737823 895263103 /nfs/dbraw/zinc/26/31/03/895263103.db2.gz KLFDXNNHPRUICL-DEOSSOPVSA-N 1 2 396.531 3.884 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(Br)cc(F)c1O ZINC000817973962 895989514 /nfs/dbraw/zinc/98/95/14/895989514.db2.gz HVKMNBQBFXYWOC-APPDUMDISA-N 1 2 379.273 3.831 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000042290312 897398637 /nfs/dbraw/zinc/39/86/37/897398637.db2.gz QCDINBSGTYQUPA-XLIONFOSSA-N 1 2 399.560 3.631 20 10 GHCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824114266 899417352 /nfs/dbraw/zinc/41/73/52/899417352.db2.gz RIEFJQYNRWJMCR-ICSRJNTNSA-N 1 2 388.533 3.537 20 10 GHCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824114266 899417358 /nfs/dbraw/zinc/41/73/58/899417358.db2.gz RIEFJQYNRWJMCR-ICSRJNTNSA-N 1 2 388.533 3.537 20 10 GHCDLO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1cc(Br)c(F)cc1O)C2 ZINC001144299816 901651493 /nfs/dbraw/zinc/65/14/93/901651493.db2.gz JJOLHRZGYSDBNB-SFHVURJKSA-N 1 2 399.304 3.517 20 10 GHCDLO CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1cc(Br)c(F)cc1O)C2 ZINC001144299816 901651499 /nfs/dbraw/zinc/65/14/99/901651499.db2.gz JJOLHRZGYSDBNB-SFHVURJKSA-N 1 2 399.304 3.517 20 10 GHCDLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1noc(-c2ccccc2)n1 ZINC000124247493 902042952 /nfs/dbraw/zinc/04/29/52/902042952.db2.gz XYGHGFVOYMTDET-IRXDYDNUSA-N 1 2 378.476 3.985 20 10 GHCDLO C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(N(C)C)cc1 ZINC000773631233 908486872 /nfs/dbraw/zinc/48/68/72/908486872.db2.gz XBWYAYLQJNZJOR-GOSISDBHSA-N 1 2 383.540 3.912 20 10 GHCDLO O=C1OCCN1c1cccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC001177436813 908589370 /nfs/dbraw/zinc/58/93/70/908589370.db2.gz HKXQDFFSEYDRQZ-UHFFFAOYSA-N 1 2 395.228 3.540 20 10 GHCDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000266697021 909264094 /nfs/dbraw/zinc/26/40/94/909264094.db2.gz BSNHQXHOTWARDN-SJLPKXTDSA-N 1 2 389.496 3.690 20 10 GHCDLO CC(C)CO[C@H](C)c1noc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000266697021 909264109 /nfs/dbraw/zinc/26/41/09/909264109.db2.gz BSNHQXHOTWARDN-SJLPKXTDSA-N 1 2 389.496 3.690 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]Cc1c(F)cncc1Br ZINC001181464089 910776906 /nfs/dbraw/zinc/77/69/06/910776906.db2.gz IPVASLCANATMOO-UHFFFAOYSA-N 1 2 390.050 3.741 20 10 GHCDLO Fc1ccc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1Cl ZINC000092972836 911978789 /nfs/dbraw/zinc/97/87/89/911978789.db2.gz AAIRXVHUOWIUAQ-NRFANRHFSA-N 1 2 390.886 3.889 20 10 GHCDLO Fc1ccc([C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1Cl ZINC000092972836 911978801 /nfs/dbraw/zinc/97/88/01/911978801.db2.gz AAIRXVHUOWIUAQ-NRFANRHFSA-N 1 2 390.886 3.889 20 10 GHCDLO COc1cccc([C@H]2C[N@H+](Cc3cc(Br)ccc3O)CCO2)c1 ZINC000093079462 912047760 /nfs/dbraw/zinc/04/77/60/912047760.db2.gz ROQVJEAOPSQOJE-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cccc([C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCO2)c1 ZINC000093079462 912047774 /nfs/dbraw/zinc/04/77/74/912047774.db2.gz ROQVJEAOPSQOJE-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(Br)c2O)c1 ZINC000775150762 915580477 /nfs/dbraw/zinc/58/04/77/915580477.db2.gz AGIPNVSKWUZHCQ-LBPRGKRZSA-N 1 2 393.281 3.670 20 10 GHCDLO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000775153023 915627197 /nfs/dbraw/zinc/62/71/97/915627197.db2.gz QNZZOAXXVQPRIL-RYUDHWBXSA-N 1 2 392.240 3.611 20 10 GHCDLO Cc1ccc([C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000294720782 916946606 /nfs/dbraw/zinc/94/66/06/916946606.db2.gz PJERKQCAUCWFEM-XIKOKIGWSA-N 1 2 385.888 3.757 20 10 GHCDLO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)cc1F ZINC001192108016 918414162 /nfs/dbraw/zinc/41/41/62/918414162.db2.gz OEOJDGOXXWGPEN-SFHVURJKSA-N 1 2 399.293 3.997 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(OC)ccc3Cl)CC2)cc1 ZINC001137265529 924108580 /nfs/dbraw/zinc/10/85/80/924108580.db2.gz KDYVWDMTKKRZHY-UHFFFAOYSA-N 1 2 390.911 3.696 20 10 GHCDLO Nc1ccc(Cc2nc(C(=O)OCc3ccc(-n4cc[nH+]c4)cc3)cs2)cc1 ZINC000751932421 928489303 /nfs/dbraw/zinc/48/93/03/928489303.db2.gz ZUGLVSUQRSEBKO-UHFFFAOYSA-N 1 2 390.468 3.859 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753546800 929405131 /nfs/dbraw/zinc/40/51/31/929405131.db2.gz LFFSEOURSWWLKR-NRFANRHFSA-N 1 2 399.487 3.514 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753546800 929405135 /nfs/dbraw/zinc/40/51/35/929405135.db2.gz LFFSEOURSWWLKR-NRFANRHFSA-N 1 2 399.487 3.514 20 10 GHCDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000753894654 929580948 /nfs/dbraw/zinc/58/09/48/929580948.db2.gz OREFTJMWUVUVRD-HDICACEKSA-N 1 2 381.432 3.828 20 10 GHCDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000753894654 929580956 /nfs/dbraw/zinc/58/09/56/929580956.db2.gz OREFTJMWUVUVRD-HDICACEKSA-N 1 2 381.432 3.828 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC000781909089 931023853 /nfs/dbraw/zinc/02/38/53/931023853.db2.gz PFFQFHRFKLEGNZ-LLVKDONJSA-N 1 2 381.236 3.532 20 10 GHCDLO CSCCCN1C(=O)/C(=C\c2cc(-n3cc[nH+]c3)cs2)SC1=S ZINC000783698647 931621967 /nfs/dbraw/zinc/62/19/67/931621967.db2.gz LPARRWZPOGYLSP-MDWZMJQESA-N 1 2 381.573 3.888 20 10 GHCDLO CO[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@H]1C ZINC000784668442 931971944 /nfs/dbraw/zinc/97/19/44/931971944.db2.gz OVAFKKBTHIVAKI-ZANVPECISA-N 1 2 393.119 3.774 20 10 GHCDLO CO[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@H]1C ZINC000784668442 931971950 /nfs/dbraw/zinc/97/19/50/931971950.db2.gz OVAFKKBTHIVAKI-ZANVPECISA-N 1 2 393.119 3.774 20 10 GHCDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828614335 935676345 /nfs/dbraw/zinc/67/63/45/935676345.db2.gz OHPKXNHGXPEBGR-JOCHJYFZSA-N 1 2 382.552 3.909 20 10 GHCDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828614335 935676347 /nfs/dbraw/zinc/67/63/47/935676347.db2.gz OHPKXNHGXPEBGR-JOCHJYFZSA-N 1 2 382.552 3.909 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cccc(Cl)c3F)CC2)cc1 ZINC001137962415 935893878 /nfs/dbraw/zinc/89/38/78/935893878.db2.gz IECBKHVFLGPDFU-UHFFFAOYSA-N 1 2 378.875 3.827 20 10 GHCDLO CC[N@@H+]1CCC[C@@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227502900 1032443912 /nfs/dbraw/zinc/44/39/12/1032443912.db2.gz PNEFDEALZMSGLM-OAHLLOKOSA-N 1 2 381.428 3.734 20 10 GHCDLO CC[N@H+]1CCC[C@@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227502900 1032443917 /nfs/dbraw/zinc/44/39/17/1032443917.db2.gz PNEFDEALZMSGLM-OAHLLOKOSA-N 1 2 381.428 3.734 20 10 GHCDLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140288038 1021322058 /nfs/dbraw/zinc/32/20/58/1021322058.db2.gz IAQKOPPVVNWILJ-LJQANCHMSA-N 1 2 397.538 3.666 20 10 GHCDLO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000802658380 1021516104 /nfs/dbraw/zinc/51/61/04/1021516104.db2.gz XTECUWCBGKOXBZ-KRWDZBQOSA-N 1 2 376.859 3.508 20 10 GHCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000836781817 1023363067 /nfs/dbraw/zinc/36/30/67/1023363067.db2.gz VIRYNDLOPUDWBC-IEBWSBKVSA-N 1 2 375.472 3.941 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc(Br)cc(F)c1O ZINC000756350773 1023601369 /nfs/dbraw/zinc/60/13/69/1023601369.db2.gz FTKVVEBBSNHHEE-JQWIXIFHSA-N 1 2 382.229 3.784 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001141370871 1024750512 /nfs/dbraw/zinc/75/05/12/1024750512.db2.gz ARXUTCHSZMZZEL-AWEZNQCLSA-N 1 2 383.673 3.856 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001141370871 1024750519 /nfs/dbraw/zinc/75/05/19/1024750519.db2.gz ARXUTCHSZMZZEL-AWEZNQCLSA-N 1 2 383.673 3.856 20 10 GHCDLO Cc1ncc(C[NH2+]Cc2cc(Br)cc(Br)c2O)o1 ZINC000839168462 1025678981 /nfs/dbraw/zinc/67/89/81/1025678981.db2.gz AWBKJRKPDZXNPI-UHFFFAOYSA-N 1 2 376.048 3.503 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001139129894 1025941446 /nfs/dbraw/zinc/94/14/46/1025941446.db2.gz JKIQTFJFVHJJJX-GJZGRUSLSA-N 1 2 396.874 3.924 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001139129894 1025941450 /nfs/dbraw/zinc/94/14/50/1025941450.db2.gz JKIQTFJFVHJJJX-GJZGRUSLSA-N 1 2 396.874 3.924 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001139131468 1025943668 /nfs/dbraw/zinc/94/36/68/1025943668.db2.gz OKZZEDIHJRIYMV-CQSZACIVSA-N 1 2 383.448 3.693 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001139131468 1025943670 /nfs/dbraw/zinc/94/36/70/1025943670.db2.gz OKZZEDIHJRIYMV-CQSZACIVSA-N 1 2 383.448 3.693 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(COc3ccccc32)CC1 ZINC001139134050 1025948013 /nfs/dbraw/zinc/94/80/13/1025948013.db2.gz VXVQMJXNBMCLJB-UHFFFAOYSA-N 1 2 377.440 3.733 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2c(O)cccc2Br)Cc2c1cnn2CC ZINC001140100022 1026877497 /nfs/dbraw/zinc/87/74/97/1026877497.db2.gz BKJCYRHTSGRDTH-CYBMUJFWSA-N 1 2 394.313 3.507 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)Cc2c1cnn2CC ZINC001140100022 1026877503 /nfs/dbraw/zinc/87/75/03/1026877503.db2.gz BKJCYRHTSGRDTH-CYBMUJFWSA-N 1 2 394.313 3.507 20 10 GHCDLO C[C@H]1C[N@H+](CCSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CCO1 ZINC000840157429 1027292247 /nfs/dbraw/zinc/29/22/47/1027292247.db2.gz VDPINSADINCXMW-HKUYNNGSSA-N 1 2 387.549 3.542 20 10 GHCDLO C[C@H]1C[N@@H+](CCSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CCO1 ZINC000840157429 1027292258 /nfs/dbraw/zinc/29/22/58/1027292258.db2.gz VDPINSADINCXMW-HKUYNNGSSA-N 1 2 387.549 3.542 20 10 GHCDLO OC[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)C[C@@H]1c1ccccc1 ZINC001461540342 1069599691 /nfs/dbraw/zinc/59/96/91/1069599691.db2.gz OPNFGFHAHVHGFU-CRAIPNDOSA-N 1 2 380.257 3.550 20 10 GHCDLO COc1ccc(C[NH2+]Cc2nnc([C@@H]3C[C@@H]3c3ccc(Cl)cc3)o2)c(O)c1 ZINC001217717510 1030626148 /nfs/dbraw/zinc/62/61/48/1030626148.db2.gz CXCIIVJTDBUXCY-IAGOWNOFSA-N 1 2 385.851 3.998 20 10 GHCDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)c(F)cc1O ZINC001276517805 1034213661 /nfs/dbraw/zinc/21/36/61/1034213661.db2.gz IFEHLGSEXZUBNX-IUIKQTSFSA-N 1 2 399.304 3.658 20 10 GHCDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c(F)cc1O ZINC001276517805 1034213675 /nfs/dbraw/zinc/21/36/75/1034213675.db2.gz IFEHLGSEXZUBNX-IUIKQTSFSA-N 1 2 399.304 3.658 20 10 GHCDLO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910734 1034985597 /nfs/dbraw/zinc/98/55/97/1034985597.db2.gz VCLLWNDESSDVOL-NRFANRHFSA-N 1 2 388.870 3.809 20 10 GHCDLO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910734 1034985603 /nfs/dbraw/zinc/98/56/03/1034985603.db2.gz VCLLWNDESSDVOL-NRFANRHFSA-N 1 2 388.870 3.809 20 10 GHCDLO COC(=O)c1ccc(OC2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC001231911942 1034986619 /nfs/dbraw/zinc/98/66/19/1034986619.db2.gz QKACULKLLRUOAR-UHFFFAOYSA-N 1 2 375.852 3.876 20 10 GHCDLO O=C(NCC1CC1)[C@H]1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231912138 1034986962 /nfs/dbraw/zinc/98/69/62/1034986962.db2.gz WWYDBCOWRDPZKU-INIZCTEOSA-N 1 2 376.928 3.954 20 10 GHCDLO COc1cc(O)c(C[NH+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1Cl ZINC001232268079 1037989826 /nfs/dbraw/zinc/98/98/26/1037989826.db2.gz LTSUKINDXPFEEQ-CHWSQXEVSA-N 1 2 384.904 3.884 20 10 GHCDLO CN(C)c1ccc(C[N@H+](C)Cc2ccc(O)cc2I)cc1 ZINC001232720844 1038516262 /nfs/dbraw/zinc/51/62/62/1038516262.db2.gz RLETUYOQHLTUQQ-UHFFFAOYSA-N 1 2 396.272 3.695 20 10 GHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(O)cc2I)cc1 ZINC001232720844 1038516268 /nfs/dbraw/zinc/51/62/68/1038516268.db2.gz RLETUYOQHLTUQQ-UHFFFAOYSA-N 1 2 396.272 3.695 20 10 GHCDLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(O)cc(Br)cc1F ZINC001233029665 1038780122 /nfs/dbraw/zinc/78/01/22/1038780122.db2.gz GCXIURGXMUSYCD-UHFFFAOYSA-N 1 2 396.256 3.859 20 10 GHCDLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(O)cc(Br)cc1F ZINC001233029665 1038780138 /nfs/dbraw/zinc/78/01/38/1038780138.db2.gz GCXIURGXMUSYCD-UHFFFAOYSA-N 1 2 396.256 3.859 20 10 GHCDLO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3c(O)cc(Br)cc3F)C[C@H]12 ZINC001233028507 1038781039 /nfs/dbraw/zinc/78/10/39/1038781039.db2.gz PLWCQPCSPACKPG-KBPBESRZSA-N 1 2 376.225 3.706 20 10 GHCDLO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3c(O)cc(Br)cc3F)C[C@H]12 ZINC001233028507 1038781046 /nfs/dbraw/zinc/78/10/46/1038781046.db2.gz PLWCQPCSPACKPG-KBPBESRZSA-N 1 2 376.225 3.706 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C2 ZINC001233289713 1039071871 /nfs/dbraw/zinc/07/18/71/1039071871.db2.gz JNDVMGGSWRPVMZ-UHFFFAOYSA-N 1 2 381.881 3.851 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C2 ZINC001233289713 1039071891 /nfs/dbraw/zinc/07/18/91/1039071891.db2.gz JNDVMGGSWRPVMZ-UHFFFAOYSA-N 1 2 381.881 3.851 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1O ZINC001233290321 1039075485 /nfs/dbraw/zinc/07/54/85/1039075485.db2.gz WPQPVKGZOOVQFD-UHFFFAOYSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1O ZINC001233290321 1039075504 /nfs/dbraw/zinc/07/55/04/1039075504.db2.gz WPQPVKGZOOVQFD-UHFFFAOYSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1cc(Cl)cc(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)c1O ZINC001233291332 1039076507 /nfs/dbraw/zinc/07/65/07/1039076507.db2.gz WFOMYGMLJHFUHT-UHFFFAOYSA-N 1 2 386.879 3.505 20 10 GHCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC001233335424 1039138272 /nfs/dbraw/zinc/13/82/72/1039138272.db2.gz UTBXROHNMLYIDZ-UHFFFAOYSA-N 1 2 383.236 3.755 20 10 GHCDLO CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277834591 1039878230 /nfs/dbraw/zinc/87/82/30/1039878230.db2.gz RATKZTMVZJQNNK-HXUWFJFHSA-N 1 2 380.916 3.811 20 10 GHCDLO CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277834591 1039878258 /nfs/dbraw/zinc/87/82/58/1039878258.db2.gz RATKZTMVZJQNNK-HXUWFJFHSA-N 1 2 380.916 3.811 20 10 GHCDLO O=C([C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1)N1CCCCC1 ZINC001235065242 1040555932 /nfs/dbraw/zinc/55/59/32/1040555932.db2.gz NRWYDXSRVLLCOK-CYBMUJFWSA-N 1 2 399.304 3.518 20 10 GHCDLO O=C([C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1)N1CCCCC1 ZINC001235065242 1040555943 /nfs/dbraw/zinc/55/59/43/1040555943.db2.gz NRWYDXSRVLLCOK-CYBMUJFWSA-N 1 2 399.304 3.518 20 10 GHCDLO O=C([C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2O)C1)N1CCCCC1 ZINC001235301750 1040774478 /nfs/dbraw/zinc/77/44/78/1040774478.db2.gz IAFCKBUOBLUSBT-CYBMUJFWSA-N 1 2 399.304 3.518 20 10 GHCDLO O=C([C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2O)C1)N1CCCCC1 ZINC001235301750 1040774497 /nfs/dbraw/zinc/77/44/97/1040774497.db2.gz IAFCKBUOBLUSBT-CYBMUJFWSA-N 1 2 399.304 3.518 20 10 GHCDLO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C[C@H]1C ZINC001235307103 1040781958 /nfs/dbraw/zinc/78/19/58/1040781958.db2.gz KWGYTFLZLPMWLN-NEPJUHHUSA-N 1 2 388.277 3.705 20 10 GHCDLO Cc1cccc(O[C@H]2CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235309948 1040783437 /nfs/dbraw/zinc/78/34/37/1040783437.db2.gz ZJENJIJGQHPDER-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235309948 1040783447 /nfs/dbraw/zinc/78/34/47/1040783447.db2.gz ZJENJIJGQHPDER-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001235678162 1041137862 /nfs/dbraw/zinc/13/78/62/1041137862.db2.gz ADKLYFCKGNLKOL-MJGOQNOKSA-N 1 2 390.524 3.510 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001235678162 1041137878 /nfs/dbraw/zinc/13/78/78/1041137878.db2.gz ADKLYFCKGNLKOL-MJGOQNOKSA-N 1 2 390.524 3.510 20 10 GHCDLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC001236669598 1041817669 /nfs/dbraw/zinc/81/76/69/1041817669.db2.gz PDOXKYWVUXVNRK-KRWDZBQOSA-N 1 2 392.293 3.679 20 10 GHCDLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC001236669598 1041817672 /nfs/dbraw/zinc/81/76/72/1041817672.db2.gz PDOXKYWVUXVNRK-KRWDZBQOSA-N 1 2 392.293 3.679 20 10 GHCDLO COc1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c(O)c1Cl ZINC001236804203 1041905781 /nfs/dbraw/zinc/90/57/81/1041905781.db2.gz MNHIGHKMBQYWHR-MRXNPFEDSA-N 1 2 381.900 3.604 20 10 GHCDLO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cc(Br)cc(F)c1O ZINC001462584534 1070390631 /nfs/dbraw/zinc/39/06/31/1070390631.db2.gz KHGSYXHQYIBASA-UHFFFAOYSA-N 1 2 382.229 3.697 20 10 GHCDLO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cc(Br)cc(F)c1O ZINC001462584534 1070390649 /nfs/dbraw/zinc/39/06/49/1070390649.db2.gz KHGSYXHQYIBASA-UHFFFAOYSA-N 1 2 382.229 3.697 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001237077876 1042024624 /nfs/dbraw/zinc/02/46/24/1042024624.db2.gz LLKMMFCSONUFRA-DGCLKSJQSA-N 1 2 376.177 3.926 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001237077876 1042024628 /nfs/dbraw/zinc/02/46/28/1042024628.db2.gz LLKMMFCSONUFRA-DGCLKSJQSA-N 1 2 376.177 3.926 20 10 GHCDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237082728 1042027972 /nfs/dbraw/zinc/02/79/72/1042027972.db2.gz UQIIPUXTNIRQPY-UHFFFAOYSA-N 1 2 398.338 3.537 20 10 GHCDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237082728 1042027976 /nfs/dbraw/zinc/02/79/76/1042027976.db2.gz UQIIPUXTNIRQPY-UHFFFAOYSA-N 1 2 398.338 3.537 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237123016 1042050872 /nfs/dbraw/zinc/05/08/72/1042050872.db2.gz AXSGHBGRJAVZQR-MRVPVSSYSA-N 1 2 379.741 3.966 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237123016 1042050877 /nfs/dbraw/zinc/05/08/77/1042050877.db2.gz AXSGHBGRJAVZQR-MRVPVSSYSA-N 1 2 379.741 3.966 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237146104 1042063659 /nfs/dbraw/zinc/06/36/59/1042063659.db2.gz QMQSYNUYEBGMCY-GJZGRUSLSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237146104 1042063667 /nfs/dbraw/zinc/06/36/67/1042063667.db2.gz QMQSYNUYEBGMCY-GJZGRUSLSA-N 1 2 386.414 3.995 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001237619198 1042286274 /nfs/dbraw/zinc/28/62/74/1042286274.db2.gz PCCQYOKDIACVHR-CQSZACIVSA-N 1 2 377.847 3.513 20 10 GHCDLO Oc1c(I)cccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001237781391 1042366144 /nfs/dbraw/zinc/36/61/44/1042366144.db2.gz WBGHCOYMKWZDHV-OAHLLOKOSA-N 1 2 380.229 3.729 20 10 GHCDLO Oc1c(I)cccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001237781391 1042366149 /nfs/dbraw/zinc/36/61/49/1042366149.db2.gz WBGHCOYMKWZDHV-OAHLLOKOSA-N 1 2 380.229 3.729 20 10 GHCDLO Oc1c(I)cccc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC001237781946 1042366601 /nfs/dbraw/zinc/36/66/01/1042366601.db2.gz CACBYMPSRFUJSS-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1c(I)cccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC001237781946 1042366605 /nfs/dbraw/zinc/36/66/05/1042366605.db2.gz CACBYMPSRFUJSS-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO CC[N@H+](CCn1ccnc1)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237785732 1042368459 /nfs/dbraw/zinc/36/84/59/1042368459.db2.gz GWVGJIXXCUDIRW-UHFFFAOYSA-N 1 2 392.219 3.892 20 10 GHCDLO CC[N@@H+](CCn1ccnc1)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237785732 1042368463 /nfs/dbraw/zinc/36/84/63/1042368463.db2.gz GWVGJIXXCUDIRW-UHFFFAOYSA-N 1 2 392.219 3.892 20 10 GHCDLO COC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237786696 1042369504 /nfs/dbraw/zinc/36/95/04/1042369504.db2.gz PFMYBDHUDDKYJI-SECBINFHSA-N 1 2 396.203 3.559 20 10 GHCDLO COC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237786696 1042369506 /nfs/dbraw/zinc/36/95/06/1042369506.db2.gz PFMYBDHUDDKYJI-SECBINFHSA-N 1 2 396.203 3.559 20 10 GHCDLO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1O ZINC001237798486 1042375462 /nfs/dbraw/zinc/37/54/62/1042375462.db2.gz GNDWYWDYUBUPBZ-ZWKOTPCHSA-N 1 2 376.859 3.808 20 10 GHCDLO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1O ZINC001237798486 1042375466 /nfs/dbraw/zinc/37/54/66/1042375466.db2.gz GNDWYWDYUBUPBZ-ZWKOTPCHSA-N 1 2 376.859 3.808 20 10 GHCDLO NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1O ZINC001237798483 1042376014 /nfs/dbraw/zinc/37/60/14/1042376014.db2.gz GNDWYWDYUBUPBZ-QZTJIDSGSA-N 1 2 376.859 3.808 20 10 GHCDLO NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1O ZINC001237798483 1042376017 /nfs/dbraw/zinc/37/60/17/1042376017.db2.gz GNDWYWDYUBUPBZ-QZTJIDSGSA-N 1 2 376.859 3.808 20 10 GHCDLO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237799363 1042376846 /nfs/dbraw/zinc/37/68/46/1042376846.db2.gz HJNUCLCIHKUUFS-UHFFFAOYSA-N 1 2 392.906 3.516 20 10 GHCDLO Cc1nc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)ccc1F ZINC001237824428 1042387466 /nfs/dbraw/zinc/38/74/66/1042387466.db2.gz ORFCJHJKJKQDLR-UHFFFAOYSA-N 1 2 392.478 3.825 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1)c1cccc(F)c1 ZINC001237941495 1042430727 /nfs/dbraw/zinc/43/07/27/1042430727.db2.gz XKNLJCDNTCXYIL-OAHLLOKOSA-N 1 2 380.822 3.718 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1)c1cccc(F)c1 ZINC001237941495 1042430734 /nfs/dbraw/zinc/43/07/34/1042430734.db2.gz XKNLJCDNTCXYIL-OAHLLOKOSA-N 1 2 380.822 3.718 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237941641 1042430925 /nfs/dbraw/zinc/43/09/25/1042430925.db2.gz ZXGNHGCLAJYGCV-JTQLQIEISA-N 1 2 391.752 3.647 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237941641 1042430929 /nfs/dbraw/zinc/43/09/29/1042430929.db2.gz ZXGNHGCLAJYGCV-JTQLQIEISA-N 1 2 391.752 3.647 20 10 GHCDLO CC[C@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)[N@@H+]1CCO[C@@H](CC)C1 ZINC001302263876 1046890979 /nfs/dbraw/zinc/89/09/79/1046890979.db2.gz YPMUDXGXYIBYIG-XZOQPEGZSA-N 1 2 397.563 3.908 20 10 GHCDLO CC[C@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)[N@H+]1CCO[C@@H](CC)C1 ZINC001302263876 1046890997 /nfs/dbraw/zinc/89/09/97/1046890997.db2.gz YPMUDXGXYIBYIG-XZOQPEGZSA-N 1 2 397.563 3.908 20 10 GHCDLO COc1ccc(CC[NH2+]Cc2cc(Br)cc(F)c2O)cc1OC ZINC001308180392 1049902995 /nfs/dbraw/zinc/90/29/95/1049902995.db2.gz CHXPBDASLRHETG-UHFFFAOYSA-N 1 2 384.245 3.643 20 10 GHCDLO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1F ZINC001308595593 1050025283 /nfs/dbraw/zinc/02/52/83/1050025283.db2.gz XWLGJOUNNXIBLH-HNNXBMFYSA-N 1 2 383.483 3.862 20 10 GHCDLO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1F ZINC001308595593 1050025289 /nfs/dbraw/zinc/02/52/89/1050025289.db2.gz XWLGJOUNNXIBLH-HNNXBMFYSA-N 1 2 383.483 3.862 20 10 GHCDLO C[C@@H](O)CC(C)(C)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001200715378 1056798419 /nfs/dbraw/zinc/79/84/19/1056798419.db2.gz YVNPSEFGTCUVTO-SECBINFHSA-N 1 2 395.135 3.804 20 10 GHCDLO Cc1cc(C(=O)CSC[C@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc2c(c1)CCC2 ZINC001459157598 1064009888 /nfs/dbraw/zinc/00/98/88/1064009888.db2.gz MHBVNPJMJISDLE-OAQYLSRUSA-N 1 2 398.572 3.829 20 10 GHCDLO Cc1cc(C(=O)CSC[C@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc2c(c1)CCC2 ZINC001459157598 1064009893 /nfs/dbraw/zinc/00/98/93/1064009893.db2.gz MHBVNPJMJISDLE-OAQYLSRUSA-N 1 2 398.572 3.829 20 10 GHCDLO C[C@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001459506107 1064115532 /nfs/dbraw/zinc/11/55/32/1064115532.db2.gz IPNIJNUNDVCXLI-HOTGVXAUSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001459506107 1064115534 /nfs/dbraw/zinc/11/55/34/1064115534.db2.gz IPNIJNUNDVCXLI-HOTGVXAUSA-N 1 2 390.483 3.911 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCOC1CCCC1 ZINC001200223087 1065643063 /nfs/dbraw/zinc/64/30/63/1065643063.db2.gz CFFKQXDYIBIIHH-UHFFFAOYSA-N 1 2 393.119 3.966 20 10 GHCDLO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001473302323 1067229385 /nfs/dbraw/zinc/22/93/85/1067229385.db2.gz OMJZQNQYOLJEDM-HNNXBMFYSA-N 1 2 390.483 3.769 20 10 GHCDLO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001473302323 1067229391 /nfs/dbraw/zinc/22/93/91/1067229391.db2.gz OMJZQNQYOLJEDM-HNNXBMFYSA-N 1 2 390.483 3.769 20 10 GHCDLO COc1ccc(CC[NH2+]Cc2cc(Br)cc(F)c2O)c(OC)c1 ZINC001473966455 1074220655 /nfs/dbraw/zinc/22/06/55/1074220655.db2.gz LIAISKQGWCYBKB-UHFFFAOYSA-N 1 2 384.245 3.643 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCN(Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC001474409357 1074392753 /nfs/dbraw/zinc/39/27/53/1074392753.db2.gz YWQGQGGXYWAIPT-UHFFFAOYSA-N 1 2 378.875 3.901 20 10 GHCDLO COc1ccc(C[N@H+]2CCCN(Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC001474409357 1074392759 /nfs/dbraw/zinc/39/27/59/1074392759.db2.gz YWQGQGGXYWAIPT-UHFFFAOYSA-N 1 2 378.875 3.901 20 10 GHCDLO COc1c(O)c(C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000278437662 835086724 /nfs/dbraw/zinc/08/67/24/835086724.db2.gz VGGSDNQOVWEGTI-LLVKDONJSA-N 1 2 376.413 3.591 20 10 GHCDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255036416 836078374 /nfs/dbraw/zinc/07/83/74/836078374.db2.gz ALHPWEAGVRJNNO-UHFFFAOYSA-N 1 2 381.480 3.745 20 10 GHCDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255036416 836078379 /nfs/dbraw/zinc/07/83/79/836078379.db2.gz ALHPWEAGVRJNNO-UHFFFAOYSA-N 1 2 381.480 3.745 20 10 GHCDLO CN(C)c1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000161729855 861200409 /nfs/dbraw/zinc/20/04/09/861200409.db2.gz WHMLPDUWPFHSDE-FGZHOGPDSA-N 1 2 389.503 3.677 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1O ZINC000125671883 842647838 /nfs/dbraw/zinc/64/78/38/842647838.db2.gz NQXDNPZXJAQUQC-KRWDZBQOSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1O ZINC000125671883 842647844 /nfs/dbraw/zinc/64/78/44/842647844.db2.gz NQXDNPZXJAQUQC-KRWDZBQOSA-N 1 2 378.266 3.737 20 10 GHCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000583414039 849831860 /nfs/dbraw/zinc/83/18/60/849831860.db2.gz JWKYHTSLAADYKM-UHFFFAOYSA-N 1 2 387.487 3.731 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nc(-c4ccccc4C)no3)CC2)cc1 ZINC000735407779 864787816 /nfs/dbraw/zinc/78/78/16/864787816.db2.gz PFHLIFRIGDIATF-KRWDZBQOSA-N 1 2 378.476 3.937 20 10 GHCDLO CN(C)c1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)c(C(F)(F)F)c1 ZINC000792921591 881814640 /nfs/dbraw/zinc/81/46/40/881814640.db2.gz DNSOKXRCVVINSA-UHFFFAOYSA-N 1 2 380.414 3.615 20 10 GHCDLO FC(F)Oc1ccc(N2CCC[C@@H](Nc3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000302873302 865966604 /nfs/dbraw/zinc/96/66/04/865966604.db2.gz CPIXJHDNPWMPMQ-OAHLLOKOSA-N 1 2 389.450 3.759 20 10 GHCDLO FC(F)Oc1ccc(N2CCC[C@@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000302873302 865966610 /nfs/dbraw/zinc/96/66/10/865966610.db2.gz CPIXJHDNPWMPMQ-OAHLLOKOSA-N 1 2 389.450 3.759 20 10 GHCDLO COc1cc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)cc(OC)c1OC ZINC000183703355 867323497 /nfs/dbraw/zinc/32/34/97/867323497.db2.gz TXNAQZBDPCFXHD-CQSZACIVSA-N 1 2 392.446 3.874 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]Cc1cccnc1F ZINC000793280608 882089040 /nfs/dbraw/zinc/08/90/40/882089040.db2.gz KEKWPKXEMHDWSE-UHFFFAOYSA-N 1 2 390.050 3.741 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+](CCO)Cc2cccnc2Cl)c1O ZINC000793363105 882126372 /nfs/dbraw/zinc/12/63/72/882126372.db2.gz ASKMVPZCNNIEFS-UHFFFAOYSA-N 1 2 385.689 3.506 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+](CCO)Cc2cccnc2Cl)c1O ZINC000793363105 882126381 /nfs/dbraw/zinc/12/63/81/882126381.db2.gz ASKMVPZCNNIEFS-UHFFFAOYSA-N 1 2 385.689 3.506 20 10 GHCDLO C[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1cc(Br)cc(F)c1O ZINC000927121604 868585428 /nfs/dbraw/zinc/58/54/28/868585428.db2.gz NTHJUHDMMCAXAK-QMMMGPOBSA-N 1 2 387.274 3.674 20 10 GHCDLO COc1c(C)c[nH+]c(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000745786989 869809785 /nfs/dbraw/zinc/80/97/85/869809785.db2.gz PENBRJMEKLXLKQ-UHFFFAOYSA-N 1 2 384.524 3.893 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000745912240 869880239 /nfs/dbraw/zinc/88/02/39/869880239.db2.gz PQMGPGZPRDUANO-NRFANRHFSA-N 1 2 391.519 3.612 20 10 GHCDLO CN(C)c1ccc(-c2nc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cs2)cc1 ZINC001193169529 870934515 /nfs/dbraw/zinc/93/45/15/870934515.db2.gz UETJWMBIOFVRCY-OAHLLOKOSA-N 1 2 381.505 3.619 20 10 GHCDLO C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)cc(F)c1O ZINC000857875507 882605169 /nfs/dbraw/zinc/60/51/69/882605169.db2.gz QSGIBDHIHHXXFA-QFYYESIMSA-N 1 2 393.256 3.658 20 10 GHCDLO Cc1cc(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000857941383 882658104 /nfs/dbraw/zinc/65/81/04/882658104.db2.gz FKKUPLAGSUXIDY-SFHVURJKSA-N 1 2 382.895 3.618 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(C)n1-c1cccc(F)c1 ZINC000767913975 872932366 /nfs/dbraw/zinc/93/23/66/872932366.db2.gz VVJJZVXQWMFWJU-PZJWPPBQSA-N 1 2 388.508 3.622 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(C)n1-c1cccc(F)c1 ZINC000767913975 872932379 /nfs/dbraw/zinc/93/23/79/872932379.db2.gz VVJJZVXQWMFWJU-PZJWPPBQSA-N 1 2 388.508 3.622 20 10 GHCDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000775776983 873900756 /nfs/dbraw/zinc/90/07/56/873900756.db2.gz KODYEVVUEANQGU-UHFFFAOYSA-N 1 2 388.431 3.594 20 10 GHCDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000775776983 873900760 /nfs/dbraw/zinc/90/07/60/873900760.db2.gz KODYEVVUEANQGU-UHFFFAOYSA-N 1 2 388.431 3.594 20 10 GHCDLO CSCC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nnc2ccccn21 ZINC000858089475 882835430 /nfs/dbraw/zinc/83/54/30/882835430.db2.gz UKYIOVFEFOXCBI-INIZCTEOSA-N 1 2 391.491 3.658 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(Br)c3O)CC2)cc1F ZINC000770305710 874587150 /nfs/dbraw/zinc/58/71/50/874587150.db2.gz JHQLTQSRZANLIU-UHFFFAOYSA-N 1 2 395.272 3.625 20 10 GHCDLO CN1C(=O)C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@H]1c1ccc(Cl)cc1 ZINC000776251998 876030691 /nfs/dbraw/zinc/03/06/91/876030691.db2.gz IBJZFZJOVPYMJN-DOTOQJQBSA-N 1 2 383.250 3.900 20 10 GHCDLO Cc1ccccc1Cc1noc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000175660057 877403675 /nfs/dbraw/zinc/40/36/75/877403675.db2.gz WYFMSKVBKBZTCP-HXUWFJFHSA-N 1 2 393.487 3.856 20 10 GHCDLO Cc1ccccc1Cc1noc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000175660057 877403676 /nfs/dbraw/zinc/40/36/76/877403676.db2.gz WYFMSKVBKBZTCP-HXUWFJFHSA-N 1 2 393.487 3.856 20 10 GHCDLO CCn1cccc(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2O)c1=O ZINC000788604256 878200860 /nfs/dbraw/zinc/20/08/60/878200860.db2.gz JDCNMVMHRRWMPK-JTQLQIEISA-N 1 2 385.689 3.841 20 10 GHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2Cl)C1 ZINC000854344522 879742016 /nfs/dbraw/zinc/74/20/16/879742016.db2.gz QBTYPRKFMMBLNU-DJIMGWMZSA-N 1 2 386.927 3.730 20 10 GHCDLO Cc1cc(NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)n(C(C)(C)C)n1 ZINC000113254861 880466679 /nfs/dbraw/zinc/46/66/79/880466679.db2.gz PBBSSGQPSYEFKG-UHFFFAOYSA-N 1 2 396.491 3.886 20 10 GHCDLO Cc1cc(NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)n(C(C)(C)C)n1 ZINC000113254861 880466684 /nfs/dbraw/zinc/46/66/84/880466684.db2.gz PBBSSGQPSYEFKG-UHFFFAOYSA-N 1 2 396.491 3.886 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000858929678 883471085 /nfs/dbraw/zinc/47/10/85/883471085.db2.gz MODJUYLQBFZVTI-UHFFFAOYSA-N 1 2 376.460 3.650 20 10 GHCDLO CN(C)c1cc(F)c(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1F ZINC000862332024 886295321 /nfs/dbraw/zinc/29/53/21/886295321.db2.gz QNSIVZURNQLCCH-UHFFFAOYSA-N 1 2 382.842 3.518 20 10 GHCDLO O=C1/C(=C\c2ccc(C(F)F)cc2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000794859006 888527057 /nfs/dbraw/zinc/52/70/57/888527057.db2.gz DMYAUALEPCSINO-NTCAYCPXSA-N 1 2 398.500 3.548 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000874453890 892137794 /nfs/dbraw/zinc/13/77/94/892137794.db2.gz XGCSUVTUIOLMLV-NHCUHLMSSA-N 1 2 390.487 3.821 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000874453890 892137801 /nfs/dbraw/zinc/13/78/01/892137801.db2.gz XGCSUVTUIOLMLV-NHCUHLMSSA-N 1 2 390.487 3.821 20 10 GHCDLO COc1cnc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)c(C)c2)[nH]c1=O ZINC000934278819 893520428 /nfs/dbraw/zinc/52/04/28/893520428.db2.gz IGOJFSSQCVRBJU-IBGZPJMESA-N 1 2 382.508 3.827 20 10 GHCDLO COc1cnc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)c(C)c2)[nH]c1=O ZINC000934278819 893520441 /nfs/dbraw/zinc/52/04/41/893520441.db2.gz IGOJFSSQCVRBJU-IBGZPJMESA-N 1 2 382.508 3.827 20 10 GHCDLO CC[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1cc(Br)ccc1O ZINC000815658055 894073374 /nfs/dbraw/zinc/07/33/74/894073374.db2.gz QYLUDPDKNFLPSO-MRXNPFEDSA-N 1 2 387.281 3.976 20 10 GHCDLO CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001135800431 895291181 /nfs/dbraw/zinc/29/11/81/895291181.db2.gz GDCLYSJZQBXZOA-UHFFFAOYSA-N 1 2 388.515 3.733 20 10 GHCDLO COC(=O)[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCC[C@H](OC)C1 ZINC000826142481 895511636 /nfs/dbraw/zinc/51/16/36/895511636.db2.gz CUIWTKUBKWPRQD-URLQWDBASA-N 1 2 393.524 3.535 20 10 GHCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817998598 895982510 /nfs/dbraw/zinc/98/25/10/895982510.db2.gz JLJAOFUZKXQRKF-UHFFFAOYSA-N 1 2 397.548 3.627 20 10 GHCDLO CCCNC(=O)c1cccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC000882896338 897087050 /nfs/dbraw/zinc/08/70/50/897087050.db2.gz GJMUTELZIVIPLA-UHFFFAOYSA-N 1 2 395.272 3.723 20 10 GHCDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000133597422 898705379 /nfs/dbraw/zinc/70/53/79/898705379.db2.gz SFYFKKFSENMMEJ-GOSISDBHSA-N 1 2 376.508 3.846 20 10 GHCDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000133597422 898705388 /nfs/dbraw/zinc/70/53/88/898705388.db2.gz SFYFKKFSENMMEJ-GOSISDBHSA-N 1 2 376.508 3.846 20 10 GHCDLO CO[C@H]([C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000825098354 899951748 /nfs/dbraw/zinc/95/17/48/899951748.db2.gz HKJKJGMZWUKBHC-RMLUDKJBSA-N 1 2 393.119 3.820 20 10 GHCDLO Oc1ccc(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)nc1 ZINC001144269238 901544034 /nfs/dbraw/zinc/54/40/34/901544034.db2.gz HLQNNNNYAUHHHX-UHFFFAOYSA-N 1 2 386.455 3.918 20 10 GHCDLO CC[N@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1cc(Br)ccc1O ZINC000181404284 906992529 /nfs/dbraw/zinc/99/25/29/906992529.db2.gz YSNAMNNLNXDOFJ-UHFFFAOYSA-N 1 2 391.313 3.981 20 10 GHCDLO CC[N@@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1cc(Br)ccc1O ZINC000181404284 906992541 /nfs/dbraw/zinc/99/25/41/906992541.db2.gz YSNAMNNLNXDOFJ-UHFFFAOYSA-N 1 2 391.313 3.981 20 10 GHCDLO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001177424296 908573487 /nfs/dbraw/zinc/57/34/87/908573487.db2.gz FQUCJFJYAGAYJO-INIZCTEOSA-N 1 2 381.289 3.556 20 10 GHCDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180123090 909971435 /nfs/dbraw/zinc/97/14/35/909971435.db2.gz NNDXQVFUDAIIHB-XYOKQWHBSA-N 1 2 391.475 3.556 20 10 GHCDLO COc1ccc(N2CCC(Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)[nH+]c3)CC2)cc1 ZINC001181348662 910741809 /nfs/dbraw/zinc/74/18/09/910741809.db2.gz HVNPARUBFCVLTO-HDICACEKSA-N 1 2 396.535 3.785 20 10 GHCDLO COC(=O)c1c(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c2cc(F)ccc2n1C ZINC001182126879 911186760 /nfs/dbraw/zinc/18/67/60/911186760.db2.gz LAJDSWUYCVBIDL-CQSZACIVSA-N 1 2 382.435 3.887 20 10 GHCDLO COC(=O)c1c(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c2cc(F)ccc2n1C ZINC001182126879 911186765 /nfs/dbraw/zinc/18/67/65/911186765.db2.gz LAJDSWUYCVBIDL-CQSZACIVSA-N 1 2 382.435 3.887 20 10 GHCDLO C[N@H+](Cc1cccc(Br)c1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091935268 911345553 /nfs/dbraw/zinc/34/55/53/911345553.db2.gz GWBDQCYSFKYFHU-UHFFFAOYSA-N 1 2 399.329 3.986 20 10 GHCDLO C[N@@H+](Cc1cccc(Br)c1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091935268 911345564 /nfs/dbraw/zinc/34/55/64/911345564.db2.gz GWBDQCYSFKYFHU-UHFFFAOYSA-N 1 2 399.329 3.986 20 10 GHCDLO Cc1ccccc1-c1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000775261073 916674782 /nfs/dbraw/zinc/67/47/82/916674782.db2.gz SINIXUPAUQUFAF-KRWDZBQOSA-N 1 2 378.476 3.732 20 10 GHCDLO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)cc1F ZINC001192108015 918413945 /nfs/dbraw/zinc/41/39/45/918413945.db2.gz OEOJDGOXXWGPEN-GOSISDBHSA-N 1 2 399.293 3.997 20 10 GHCDLO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](CC)c2cccc(Cl)c2O)c1 ZINC000903232482 922871527 /nfs/dbraw/zinc/87/15/27/922871527.db2.gz AGIRURCAOVRAKF-KRWDZBQOSA-N 1 2 382.913 3.585 20 10 GHCDLO CC[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cccc(Cl)c1O ZINC000903435566 923026473 /nfs/dbraw/zinc/02/64/73/923026473.db2.gz SADIYVPLRUGYSG-ZWNOBZJWSA-N 1 2 383.279 3.514 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000748832823 923853991 /nfs/dbraw/zinc/85/39/91/923853991.db2.gz OBQKRPSJTVPLIR-JOCHJYFZSA-N 1 2 396.531 3.855 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000750056859 927409277 /nfs/dbraw/zinc/40/92/77/927409277.db2.gz KVMDYBIWLBVNKF-HNNXBMFYSA-N 1 2 382.888 3.689 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000750056859 927409284 /nfs/dbraw/zinc/40/92/84/927409284.db2.gz KVMDYBIWLBVNKF-HNNXBMFYSA-N 1 2 382.888 3.689 20 10 GHCDLO Cc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(C)n1-c1ccc(F)cc1 ZINC000753182646 929240729 /nfs/dbraw/zinc/24/07/29/929240729.db2.gz FWOLISSQGCECCP-SFHVURJKSA-N 1 2 378.451 3.637 20 10 GHCDLO COc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3C(F)(F)F)CC2)cc1F ZINC000753856965 929565104 /nfs/dbraw/zinc/56/51/04/929565104.db2.gz KOXGCKNEPABRIX-SFHVURJKSA-N 1 2 398.400 3.709 20 10 GHCDLO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(Br)cc(F)c1O ZINC000757661378 929762575 /nfs/dbraw/zinc/76/25/75/929762575.db2.gz BKYKJFWHFNBODB-SWLSCSKDSA-N 1 2 382.273 3.938 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1ncc(Br)s1)C[C@@H]1CCCO1 ZINC000783381708 931530421 /nfs/dbraw/zinc/53/04/21/931530421.db2.gz QLUOTUJIKUQKLF-ZDUSSCGKSA-N 1 2 383.311 3.792 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1ncc(Br)s1)C[C@@H]1CCCO1 ZINC000783381708 931530425 /nfs/dbraw/zinc/53/04/25/931530425.db2.gz QLUOTUJIKUQKLF-ZDUSSCGKSA-N 1 2 383.311 3.792 20 10 GHCDLO CC(C)[N@@H+]1CC[C@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227502756 1032443806 /nfs/dbraw/zinc/44/38/06/1032443806.db2.gz KAHMUYQTHMZLHS-HNNXBMFYSA-N 1 2 381.428 3.733 20 10 GHCDLO CC(C)[N@H+]1CC[C@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227502756 1032443808 /nfs/dbraw/zinc/44/38/08/1032443808.db2.gz KAHMUYQTHMZLHS-HNNXBMFYSA-N 1 2 381.428 3.733 20 10 GHCDLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1C ZINC001221599272 1032477056 /nfs/dbraw/zinc/47/70/56/1032477056.db2.gz AAGWGCIWVZOMIW-INIZCTEOSA-N 1 2 384.524 3.512 20 10 GHCDLO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3ccc(Cl)cc3O)[C@H](C)C2)cc1 ZINC001140467519 1021763046 /nfs/dbraw/zinc/76/30/46/1021763046.db2.gz WGSCKYICEFMXAC-OAHLLOKOSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(C[N@H+]2CCN(Cc3ccc(Cl)cc3O)[C@H](C)C2)cc1 ZINC001140467519 1021763065 /nfs/dbraw/zinc/76/30/65/1021763065.db2.gz WGSCKYICEFMXAC-OAHLLOKOSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@H+](Cc3ccc(Cl)cc3O)[C@H](C)C2)cc1 ZINC001140467519 1021763084 /nfs/dbraw/zinc/76/30/84/1021763084.db2.gz WGSCKYICEFMXAC-OAHLLOKOSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@@H+](Cc3ccc(Cl)cc3O)[C@H](C)C2)cc1 ZINC001140467519 1021763096 /nfs/dbraw/zinc/76/30/96/1021763096.db2.gz WGSCKYICEFMXAC-OAHLLOKOSA-N 1 2 388.895 3.539 20 10 GHCDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC001204657166 1033016400 /nfs/dbraw/zinc/01/64/00/1033016400.db2.gz ANUGSVCOZRLJSV-ARJAWSKDSA-N 1 2 397.950 3.806 20 10 GHCDLO CCn1nnc2c1CC[N@H+](Cc1ccc(C)cc1O)[C@H]2COCc1ccccc1 ZINC001140952246 1022980733 /nfs/dbraw/zinc/98/07/33/1022980733.db2.gz JYKAQINGZVOPPS-NRFANRHFSA-N 1 2 392.503 3.628 20 10 GHCDLO CCn1nnc2c1CC[N@@H+](Cc1ccc(C)cc1O)[C@H]2COCc1ccccc1 ZINC001140952246 1022980737 /nfs/dbraw/zinc/98/07/37/1022980737.db2.gz JYKAQINGZVOPPS-NRFANRHFSA-N 1 2 392.503 3.628 20 10 GHCDLO C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1O)C(=O)NC(C)(C)C ZINC000756490551 1023682959 /nfs/dbraw/zinc/68/29/59/1023682959.db2.gz VXABULMHCPRTDC-RKDXNWHRSA-N 1 2 377.710 3.762 20 10 GHCDLO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Br)c(F)cc1O ZINC000756503132 1023686548 /nfs/dbraw/zinc/68/65/48/1023686548.db2.gz LAFMTIDPHQVEET-SECBINFHSA-N 1 2 381.236 3.674 20 10 GHCDLO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000756563836 1023714951 /nfs/dbraw/zinc/71/49/51/1023714951.db2.gz OHYQUJFTLZYGLP-MNOVXSKESA-N 1 2 378.694 3.512 20 10 GHCDLO C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756594822 1023727722 /nfs/dbraw/zinc/72/77/22/1023727722.db2.gz PLTQOYPTIQLKEO-DLBZAZTESA-N 1 2 399.491 3.851 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000756611524 1023738000 /nfs/dbraw/zinc/73/80/00/1023738000.db2.gz WLRQFTVRTRLKDJ-BXTJHSDWSA-N 1 2 376.447 3.611 20 10 GHCDLO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(Br)cc(F)c1O ZINC000756704405 1023781559 /nfs/dbraw/zinc/78/15/59/1023781559.db2.gz NCLOLXKZEDEIGL-SNVBAGLBSA-N 1 2 382.229 3.916 20 10 GHCDLO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)cc(Cl)c1O ZINC000756707340 1023782374 /nfs/dbraw/zinc/78/23/74/1023782374.db2.gz VDHGBQXXXWTCRX-VIFPVBQESA-N 1 2 375.694 3.518 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Br)c(F)cc1O ZINC000756764381 1023805281 /nfs/dbraw/zinc/80/52/81/1023805281.db2.gz HYPJFOIAWUAKSW-VXGBXAGGSA-N 1 2 388.277 3.673 20 10 GHCDLO C[C@@H]([NH2+]Cc1cocn1)c1cc(Br)cc(Br)c1O ZINC000756833375 1023828818 /nfs/dbraw/zinc/82/88/18/1023828818.db2.gz YZDYPQUKLYOIQQ-SSDOTTSWSA-N 1 2 376.048 3.756 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001138126515 1024171629 /nfs/dbraw/zinc/17/16/29/1024171629.db2.gz CGJFXSUHVKLAJK-UHFFFAOYSA-N 1 2 378.451 3.652 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1cccc(F)c1O)C2 ZINC001138126515 1024171644 /nfs/dbraw/zinc/17/16/44/1024171644.db2.gz CGJFXSUHVKLAJK-UHFFFAOYSA-N 1 2 378.451 3.652 20 10 GHCDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138218773 1024388429 /nfs/dbraw/zinc/38/84/29/1024388429.db2.gz TXVPBNLGZWUMNI-UHFFFAOYSA-N 1 2 396.583 3.515 20 10 GHCDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138218773 1024388445 /nfs/dbraw/zinc/38/84/45/1024388445.db2.gz TXVPBNLGZWUMNI-UHFFFAOYSA-N 1 2 396.583 3.515 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001139130132 1025943510 /nfs/dbraw/zinc/94/35/10/1025943510.db2.gz RGVFUHAAWYPPFF-MRXNPFEDSA-N 1 2 396.462 3.825 20 10 GHCDLO Cc1cccc(OC2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)n1 ZINC001139133654 1025946235 /nfs/dbraw/zinc/94/62/35/1025946235.db2.gz KRUZOBABMHINNM-UHFFFAOYSA-N 1 2 380.444 3.554 20 10 GHCDLO Cc1ccnc(OC2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)c1 ZINC001139133621 1025946344 /nfs/dbraw/zinc/94/63/44/1025946344.db2.gz JPSKGPAZEAPTMD-UHFFFAOYSA-N 1 2 380.444 3.554 20 10 GHCDLO Oc1ccc(F)cc1CN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001140060265 1026838915 /nfs/dbraw/zinc/83/89/15/1026838915.db2.gz SLCTXIMJEBPITR-UHFFFAOYSA-N 1 2 384.373 3.748 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)cccc2Br)CC12CC2 ZINC001140101262 1026880721 /nfs/dbraw/zinc/88/07/21/1026880721.db2.gz NOVIJAJRJDPCAP-UHFFFAOYSA-N 1 2 397.313 3.740 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2c(O)cccc2Br)CC12CC2 ZINC001140101262 1026880728 /nfs/dbraw/zinc/88/07/28/1026880728.db2.gz NOVIJAJRJDPCAP-UHFFFAOYSA-N 1 2 397.313 3.740 20 10 GHCDLO Oc1ccc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c(F)c1 ZINC001140130130 1026907004 /nfs/dbraw/zinc/90/70/04/1026907004.db2.gz KGXHXOCFPMSEBH-UHFFFAOYSA-N 1 2 393.462 3.828 20 10 GHCDLO COCC[N@@H+](Cc1cc(Br)cc(Br)c1O)C(C)C ZINC001203567262 1027439386 /nfs/dbraw/zinc/43/93/86/1027439386.db2.gz MKGFHFFSSSRTHQ-UHFFFAOYSA-N 1 2 381.108 3.774 20 10 GHCDLO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203564847 1027436412 /nfs/dbraw/zinc/43/64/12/1027436412.db2.gz QTRQLEAERZACJA-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO COC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203564847 1027436423 /nfs/dbraw/zinc/43/64/23/1027436423.db2.gz QTRQLEAERZACJA-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO COCC[N@H+](Cc1cc(Br)cc(Br)c1O)C(C)C ZINC001203567262 1027439379 /nfs/dbraw/zinc/43/93/79/1027439379.db2.gz MKGFHFFSSSRTHQ-UHFFFAOYSA-N 1 2 381.108 3.774 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]2COc1cccnc1 ZINC001203656105 1027511967 /nfs/dbraw/zinc/51/19/67/1027511967.db2.gz HXGMOZPREJQJFP-INIZCTEOSA-N 1 2 398.894 3.835 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]2COc1cccnc1 ZINC001203656105 1027511983 /nfs/dbraw/zinc/51/19/83/1027511983.db2.gz HXGMOZPREJQJFP-INIZCTEOSA-N 1 2 398.894 3.835 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@H+](Cc3cc(Cl)ccc3O)[C@H](C)C2)cc1 ZINC001203664312 1027515781 /nfs/dbraw/zinc/51/57/81/1027515781.db2.gz XXCUPZPRXOJSBY-OAHLLOKOSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@@H+](Cc3cc(Cl)ccc3O)[C@H](C)C2)cc1 ZINC001203664312 1027515802 /nfs/dbraw/zinc/51/58/02/1027515802.db2.gz XXCUPZPRXOJSBY-OAHLLOKOSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(C[N@H+]2CCN(Cc3cc(Cl)ccc3O)[C@H](C)C2)cc1 ZINC001203664312 1027515826 /nfs/dbraw/zinc/51/58/26/1027515826.db2.gz XXCUPZPRXOJSBY-OAHLLOKOSA-N 1 2 388.895 3.539 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1Cc1ccccc1 ZINC001203874877 1027675382 /nfs/dbraw/zinc/67/53/82/1027675382.db2.gz DUENQGSNTLIWPH-LJQANCHMSA-N 1 2 398.503 3.762 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@H]1Cc1ccccc1 ZINC001203874877 1027675392 /nfs/dbraw/zinc/67/53/92/1027675392.db2.gz DUENQGSNTLIWPH-LJQANCHMSA-N 1 2 398.503 3.762 20 10 GHCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC001142524541 1029030189 /nfs/dbraw/zinc/03/01/89/1029030189.db2.gz AOOUMPICYGZQGP-UHFFFAOYSA-N 1 2 383.236 3.755 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC001461647342 1069656584 /nfs/dbraw/zinc/65/65/84/1069656584.db2.gz YVTHEVPKTHUHIE-YPMHNXCESA-N 1 2 382.632 3.712 20 10 GHCDLO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881604 1030526045 /nfs/dbraw/zinc/52/60/45/1030526045.db2.gz YVAAIHUCOYRUMJ-KPZWWZAWSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881604 1030526058 /nfs/dbraw/zinc/52/60/58/1030526058.db2.gz YVAAIHUCOYRUMJ-KPZWWZAWSA-N 1 2 399.304 3.517 20 10 GHCDLO C[NH+](C)[C@H](CNC(=O)NCc1cccc(Cl)c1O)c1ccccc1Cl ZINC001223556792 1030635033 /nfs/dbraw/zinc/63/50/33/1030635033.db2.gz JDUVEUWJGOFGLQ-MRXNPFEDSA-N 1 2 382.291 3.801 20 10 GHCDLO CC1(C)C[C@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)CC[NH2+]1 ZINC001218472530 1030952310 /nfs/dbraw/zinc/95/23/10/1030952310.db2.gz RCSPFJYMPCBIPX-CQSZACIVSA-N 1 2 381.428 3.781 20 10 GHCDLO O=C1N(C2CCCC2)CCC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277388683 1033488699 /nfs/dbraw/zinc/48/86/99/1033488699.db2.gz ZJRCBDSTXCAOEZ-UHFFFAOYSA-N 1 2 380.891 3.942 20 10 GHCDLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1O)Nc1ccccc1 ZINC001461885435 1069836054 /nfs/dbraw/zinc/83/60/54/1069836054.db2.gz DYYMLTLZGUDBGR-INIZCTEOSA-N 1 2 375.419 3.847 20 10 GHCDLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1O)Nc1ccccc1 ZINC001461885435 1069836076 /nfs/dbraw/zinc/83/60/76/1069836076.db2.gz DYYMLTLZGUDBGR-INIZCTEOSA-N 1 2 375.419 3.847 20 10 GHCDLO O=C(NC1CCCC1)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277506922 1034524236 /nfs/dbraw/zinc/52/42/36/1034524236.db2.gz MVOTUGAQDMMNDJ-INIZCTEOSA-N 1 2 380.891 3.846 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277510886 1034548643 /nfs/dbraw/zinc/54/86/43/1034548643.db2.gz SKFINVXCVAYYIY-FQEVSTJZSA-N 1 2 380.891 3.799 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277510886 1034548650 /nfs/dbraw/zinc/54/86/50/1034548650.db2.gz SKFINVXCVAYYIY-FQEVSTJZSA-N 1 2 380.891 3.799 20 10 GHCDLO COc1ccc(Br)c(C[N@H+](C)Cc2cccc(OC)c2OC)c1O ZINC001231557470 1034710372 /nfs/dbraw/zinc/71/03/72/1034710372.db2.gz SEDFXJQTHAWKJF-UHFFFAOYSA-N 1 2 396.281 3.813 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+](C)Cc2cccc(OC)c2OC)c1O ZINC001231557470 1034710386 /nfs/dbraw/zinc/71/03/86/1034710386.db2.gz SEDFXJQTHAWKJF-UHFFFAOYSA-N 1 2 396.281 3.813 20 10 GHCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879145 1034962988 /nfs/dbraw/zinc/96/29/88/1034962988.db2.gz WWVLAUDXUGMEKQ-OAQYLSRUSA-N 1 2 392.503 3.558 20 10 GHCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879145 1034962991 /nfs/dbraw/zinc/96/29/91/1034962991.db2.gz WWVLAUDXUGMEKQ-OAQYLSRUSA-N 1 2 392.503 3.558 20 10 GHCDLO Oc1c(Cl)cccc1C[NH+]1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001231910471 1034984093 /nfs/dbraw/zinc/98/40/93/1034984093.db2.gz QOJCGUNYTLKERF-OAHLLOKOSA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001231911541 1034987152 /nfs/dbraw/zinc/98/71/52/1034987152.db2.gz NNDSZWUMDRPTMN-GOSISDBHSA-N 1 2 394.853 3.573 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001231911541 1034987153 /nfs/dbraw/zinc/98/71/53/1034987153.db2.gz NNDSZWUMDRPTMN-GOSISDBHSA-N 1 2 394.853 3.573 20 10 GHCDLO COc1ccc(C[N@H+](CC2CC2)C(C)C)c(O)c1I ZINC001248489935 1035912436 /nfs/dbraw/zinc/91/24/36/1035912436.db2.gz QOSPIPSNPQHNLE-UHFFFAOYSA-N 1 2 375.250 3.626 20 10 GHCDLO COc1ccc(C[N@@H+](CC2CC2)C(C)C)c(O)c1I ZINC001248489935 1035912440 /nfs/dbraw/zinc/91/24/40/1035912440.db2.gz QOSPIPSNPQHNLE-UHFFFAOYSA-N 1 2 375.250 3.626 20 10 GHCDLO COCC[N@H+](Cc1ccccn1)Cc1cc(Cl)cc(Br)c1O ZINC001462192720 1070069907 /nfs/dbraw/zinc/06/99/07/1070069907.db2.gz ZZBZXEBYNIOVOI-UHFFFAOYSA-N 1 2 385.689 3.852 20 10 GHCDLO COCC[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc(Br)c1O ZINC001462192720 1070069919 /nfs/dbraw/zinc/06/99/19/1070069919.db2.gz ZZBZXEBYNIOVOI-UHFFFAOYSA-N 1 2 385.689 3.852 20 10 GHCDLO CCOC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)o1 ZINC001462197612 1070074933 /nfs/dbraw/zinc/07/49/33/1070074933.db2.gz JKPPUKGHKKKSBA-UHFFFAOYSA-N 1 2 388.645 3.868 20 10 GHCDLO Oc1cc(O)c(C[N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)cc1Cl ZINC001232261930 1037982815 /nfs/dbraw/zinc/98/28/15/1037982815.db2.gz UUVYFEVMFGUCDE-UHFFFAOYSA-N 1 2 396.878 3.564 20 10 GHCDLO Oc1cc(O)c(C[N@H+]2CCN(Cc3ccncc3)c3ncccc3C2)cc1Cl ZINC001232261930 1037982821 /nfs/dbraw/zinc/98/28/21/1037982821.db2.gz UUVYFEVMFGUCDE-UHFFFAOYSA-N 1 2 396.878 3.564 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1Cl ZINC001232269576 1037994139 /nfs/dbraw/zinc/99/41/39/1037994139.db2.gz FJGAIDBHGQVFJW-UHFFFAOYSA-N 1 2 382.888 3.640 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1Cl ZINC001232269576 1037994143 /nfs/dbraw/zinc/99/41/43/1037994143.db2.gz FJGAIDBHGQVFJW-UHFFFAOYSA-N 1 2 382.888 3.640 20 10 GHCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[NH+]3CC(OC(C)C)C3)c2)nc1C ZINC001232454915 1038238465 /nfs/dbraw/zinc/23/84/65/1038238465.db2.gz UNSHNWRCWSJEEG-UHFFFAOYSA-N 1 2 390.505 3.610 20 10 GHCDLO COc1ccc(CC[N@H+](C)Cc2c(O)cc(Br)cc2F)cc1OC ZINC001233027790 1038778320 /nfs/dbraw/zinc/77/83/20/1038778320.db2.gz ZKZXCWHKYARVQO-UHFFFAOYSA-N 1 2 398.272 3.986 20 10 GHCDLO COc1ccc(CC[N@@H+](C)Cc2c(O)cc(Br)cc2F)cc1OC ZINC001233027790 1038778333 /nfs/dbraw/zinc/77/83/33/1038778333.db2.gz ZKZXCWHKYARVQO-UHFFFAOYSA-N 1 2 398.272 3.986 20 10 GHCDLO CCc1nc(C2CC[NH+](Cc3c(O)cc(Br)cc3F)CC2)no1 ZINC001233030515 1038782627 /nfs/dbraw/zinc/78/26/27/1038782627.db2.gz WKAXAPSQQTZKCK-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233030591 1038783536 /nfs/dbraw/zinc/78/35/36/1038783536.db2.gz ZNMJZSUGLFIXHK-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233030591 1038783553 /nfs/dbraw/zinc/78/35/53/1038783553.db2.gz ZNMJZSUGLFIXHK-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)cc1Br ZINC001233141034 1038919024 /nfs/dbraw/zinc/91/90/24/1038919024.db2.gz CUSSMENLUXQTLN-MRXNPFEDSA-N 1 2 392.293 3.607 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCOC[C@H]2Cc2ccccc2)cc1Br ZINC001233141034 1038919026 /nfs/dbraw/zinc/91/90/26/1038919026.db2.gz CUSSMENLUXQTLN-MRXNPFEDSA-N 1 2 392.293 3.607 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cnn(CC)c21 ZINC001233416947 1039274958 /nfs/dbraw/zinc/27/49/58/1039274958.db2.gz CKSKDKVFFFAFKS-OAHLLOKOSA-N 1 2 383.414 3.763 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cnn(CC)c21 ZINC001233416947 1039274962 /nfs/dbraw/zinc/27/49/62/1039274962.db2.gz CKSKDKVFFFAFKS-OAHLLOKOSA-N 1 2 383.414 3.763 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416808 1039275497 /nfs/dbraw/zinc/27/54/97/1039275497.db2.gz XFPJKMWMDBUGSM-CABCVRRESA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416808 1039275511 /nfs/dbraw/zinc/27/55/11/1039275511.db2.gz XFPJKMWMDBUGSM-CABCVRRESA-N 1 2 386.414 3.995 20 10 GHCDLO Oc1c(C[NH+]2CCN(c3nccc4occc43)CC2)cccc1C(F)(F)F ZINC001233418521 1039280927 /nfs/dbraw/zinc/28/09/27/1039280927.db2.gz KKMFVVIBYPFTKJ-UHFFFAOYSA-N 1 2 377.366 3.874 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@H]1COCC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234999656 1040494667 /nfs/dbraw/zinc/49/46/67/1040494667.db2.gz XRXFOKQRFYVKBG-IBGZPJMESA-N 1 2 398.503 3.785 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@H]1COCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234999656 1040494675 /nfs/dbraw/zinc/49/46/75/1040494675.db2.gz XRXFOKQRFYVKBG-IBGZPJMESA-N 1 2 398.503 3.785 20 10 GHCDLO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235056814 1040545906 /nfs/dbraw/zinc/54/59/06/1040545906.db2.gz HLIOXESUWPOODL-QGZVFWFLSA-N 1 2 388.277 3.849 20 10 GHCDLO CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235056814 1040545921 /nfs/dbraw/zinc/54/59/21/1040545921.db2.gz HLIOXESUWPOODL-QGZVFWFLSA-N 1 2 388.277 3.849 20 10 GHCDLO COc1ccc(CN(Cc2c(O)cc(F)cc2F)C2CC[NH2+]CC2)cc1F ZINC001236517769 1041750528 /nfs/dbraw/zinc/75/05/28/1041750528.db2.gz WWOBWVDVNYPISY-UHFFFAOYSA-N 1 2 380.410 3.572 20 10 GHCDLO COc1cc(C[N@H+](CCN(C)C)Cc2ccccc2)c(O)cc1Br ZINC001236745344 1041870524 /nfs/dbraw/zinc/87/05/24/1041870524.db2.gz ODVQKJTUQSDQMI-UHFFFAOYSA-N 1 2 393.325 3.727 20 10 GHCDLO COc1cc(C[N@@H+](CCN(C)C)Cc2ccccc2)c(O)cc1Br ZINC001236745344 1041870530 /nfs/dbraw/zinc/87/05/30/1041870530.db2.gz ODVQKJTUQSDQMI-UHFFFAOYSA-N 1 2 393.325 3.727 20 10 GHCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236795278 1041900012 /nfs/dbraw/zinc/90/00/12/1041900012.db2.gz BNECPHMSDIGCDC-ZDUSSCGKSA-N 1 2 389.323 3.595 20 10 GHCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236795278 1041900018 /nfs/dbraw/zinc/90/00/18/1041900018.db2.gz BNECPHMSDIGCDC-ZDUSSCGKSA-N 1 2 389.323 3.595 20 10 GHCDLO O=C(Cc1ccccc1)N1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236798574 1041902436 /nfs/dbraw/zinc/90/24/36/1041902436.db2.gz IEQUSPSWACDCMO-UHFFFAOYSA-N 1 2 393.314 3.976 20 10 GHCDLO O=C(Cc1ccccc1)N1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236798574 1041902439 /nfs/dbraw/zinc/90/24/39/1041902439.db2.gz IEQUSPSWACDCMO-UHFFFAOYSA-N 1 2 393.314 3.976 20 10 GHCDLO COc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)c(O)c1Cl ZINC001236813905 1041912967 /nfs/dbraw/zinc/91/29/67/1041912967.db2.gz RJLDOEUONOQATI-UHFFFAOYSA-N 1 2 389.908 3.986 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001237079668 1042025851 /nfs/dbraw/zinc/02/58/51/1042025851.db2.gz NKJHGCRTHGANAJ-YXJHDRRASA-N 1 2 395.286 3.510 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001237079668 1042025859 /nfs/dbraw/zinc/02/58/59/1042025859.db2.gz NKJHGCRTHGANAJ-YXJHDRRASA-N 1 2 395.286 3.510 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001237081422 1042026580 /nfs/dbraw/zinc/02/65/80/1042026580.db2.gz XKVPCBHFHHJTJY-OKILXGFUSA-N 1 2 378.303 3.658 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001237081422 1042026588 /nfs/dbraw/zinc/02/65/88/1042026588.db2.gz XKVPCBHFHHJTJY-OKILXGFUSA-N 1 2 378.303 3.658 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001237080530 1042027012 /nfs/dbraw/zinc/02/70/12/1042027012.db2.gz MWMYFSMUXCFBKN-UHFFFAOYSA-N 1 2 392.290 3.546 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001237080530 1042027018 /nfs/dbraw/zinc/02/70/18/1042027018.db2.gz MWMYFSMUXCFBKN-UHFFFAOYSA-N 1 2 392.290 3.546 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1CN1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001237114530 1042046309 /nfs/dbraw/zinc/04/63/09/1042046309.db2.gz MCSCFWBKYVRBCQ-KRWDZBQOSA-N 1 2 378.394 3.706 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1CN1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001237114530 1042046315 /nfs/dbraw/zinc/04/63/15/1042046315.db2.gz MCSCFWBKYVRBCQ-KRWDZBQOSA-N 1 2 378.394 3.706 20 10 GHCDLO O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)N1 ZINC001237618593 1042284989 /nfs/dbraw/zinc/28/49/89/1042284989.db2.gz JKDTXBHRRHZGBH-QGZVFWFLSA-N 1 2 388.870 3.823 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC001237623265 1042289483 /nfs/dbraw/zinc/28/94/83/1042289483.db2.gz KQCPHOFCLSSARQ-UHFFFAOYSA-N 1 2 394.874 3.532 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001237936984 1042428267 /nfs/dbraw/zinc/42/82/67/1042428267.db2.gz LVBCTIJCHAESSD-XVGQJIODSA-N 1 2 392.858 3.638 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001237936984 1042428269 /nfs/dbraw/zinc/42/82/69/1042428269.db2.gz LVBCTIJCHAESSD-XVGQJIODSA-N 1 2 392.858 3.638 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237938247 1042428867 /nfs/dbraw/zinc/42/88/67/1042428867.db2.gz ZXXYQPINEBQNTO-MRVPVSSYSA-N 1 2 379.741 3.966 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237938247 1042428869 /nfs/dbraw/zinc/42/88/69/1042428869.db2.gz ZXXYQPINEBQNTO-MRVPVSSYSA-N 1 2 379.741 3.966 20 10 GHCDLO O=c1oc2ccccc2n1C1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237938002 1042429032 /nfs/dbraw/zinc/42/90/32/1042429032.db2.gz WFIYSYVBFJLPTR-UHFFFAOYSA-N 1 2 376.815 3.930 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237941498 1042430743 /nfs/dbraw/zinc/43/07/43/1042430743.db2.gz XLCYJZLJRMSPFS-CYBMUJFWSA-N 1 2 392.833 3.944 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237941498 1042430745 /nfs/dbraw/zinc/43/07/45/1042430745.db2.gz XLCYJZLJRMSPFS-CYBMUJFWSA-N 1 2 392.833 3.944 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC001308370617 1049960590 /nfs/dbraw/zinc/96/05/90/1049960590.db2.gz PUBMJKKHIBNIQL-KRWDZBQOSA-N 1 2 380.916 3.892 20 10 GHCDLO CCc1cccc(C[NH2+][C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)OC)c1O ZINC001308929116 1050184821 /nfs/dbraw/zinc/18/48/21/1050184821.db2.gz XCMQFILOOSIQCJ-QGZVFWFLSA-N 1 2 397.393 3.727 20 10 GHCDLO COCCOc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001333142579 1051672915 /nfs/dbraw/zinc/67/29/15/1051672915.db2.gz FWTSUEUKSKQVPV-UHFFFAOYSA-N 1 2 384.245 3.609 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC001335866158 1052193695 /nfs/dbraw/zinc/19/36/95/1052193695.db2.gz IKXWDMJPVSZZDS-LJQANCHMSA-N 1 2 381.520 3.851 20 10 GHCDLO C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001312065099 1052554115 /nfs/dbraw/zinc/55/41/15/1052554115.db2.gz JWXIYNWSNXWKPG-SFHVURJKSA-N 1 2 387.487 3.809 20 10 GHCDLO C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cc(Br)cc(F)c1O ZINC001337795160 1058266462 /nfs/dbraw/zinc/26/64/62/1058266462.db2.gz BXHXBGBXYJBWTL-VXGBXAGGSA-N 1 2 387.293 3.593 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001440715654 1058599082 /nfs/dbraw/zinc/59/90/82/1058599082.db2.gz PIRFAXGOXCXKPX-QHCPKHFHSA-N 1 2 393.531 3.528 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001440715654 1058599088 /nfs/dbraw/zinc/59/90/88/1058599088.db2.gz PIRFAXGOXCXKPX-QHCPKHFHSA-N 1 2 393.531 3.528 20 10 GHCDLO NC(=O)N=Nc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC001446283827 1059746268 /nfs/dbraw/zinc/74/62/68/1059746268.db2.gz FCSPZCLFCCLAOG-UHFFFAOYSA-N 1 2 380.452 3.554 20 10 GHCDLO CCN(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)cc1 ZINC001459483875 1064111093 /nfs/dbraw/zinc/11/10/93/1064111093.db2.gz KTVKZFRNLMMCOJ-HXUWFJFHSA-N 1 2 395.547 3.563 20 10 GHCDLO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001459506105 1064115621 /nfs/dbraw/zinc/11/56/21/1064115621.db2.gz IPNIJNUNDVCXLI-CVEARBPZSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001459506105 1064115625 /nfs/dbraw/zinc/11/56/25/1064115625.db2.gz IPNIJNUNDVCXLI-CVEARBPZSA-N 1 2 390.483 3.911 20 10 GHCDLO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001471180409 1072956117 /nfs/dbraw/zinc/95/61/17/1072956117.db2.gz NYCLGJWPVZHOGK-OAQYLSRUSA-N 1 2 390.487 3.708 20 10 GHCDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001472588644 1073563403 /nfs/dbraw/zinc/56/34/03/1073563403.db2.gz DDRNCFNWGWVTPS-KRWDZBQOSA-N 1 2 377.891 3.911 20 10 GHCDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001472588644 1073563416 /nfs/dbraw/zinc/56/34/16/1073563416.db2.gz DDRNCFNWGWVTPS-KRWDZBQOSA-N 1 2 377.891 3.911 20 10 GHCDLO COc1c(O)c(C[NH2+]Cc2cc(-c3ccc(F)cc3F)on2)ccc1[N+](=O)[O-] ZINC001474693642 1074518551 /nfs/dbraw/zinc/51/85/51/1074518551.db2.gz OMIHXFKOQGJTNM-UHFFFAOYSA-N 1 2 391.330 3.532 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001474715703 1074531292 /nfs/dbraw/zinc/53/12/92/1074531292.db2.gz ONXHFBBLLDKBDR-HOTGVXAUSA-N 1 2 377.257 3.757 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001474715703 1074531296 /nfs/dbraw/zinc/53/12/96/1074531296.db2.gz ONXHFBBLLDKBDR-HOTGVXAUSA-N 1 2 377.257 3.757 20 10 GHCDLO C[C@@H]1CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)O1 ZINC000835086093 844215626 /nfs/dbraw/zinc/21/56/26/844215626.db2.gz CGXNBXFEKUCREB-LDYMZIIASA-N 1 2 379.092 3.574 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1CCC12CCOCC2 ZINC000375729145 848024818 /nfs/dbraw/zinc/02/48/18/848024818.db2.gz DEPWWZSOKQKSLX-UHFFFAOYSA-N 1 2 391.103 3.672 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CCC12CCOCC2 ZINC000375729145 848024823 /nfs/dbraw/zinc/02/48/23/848024823.db2.gz DEPWWZSOKQKSLX-UHFFFAOYSA-N 1 2 391.103 3.672 20 10 GHCDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000765881766 855887145 /nfs/dbraw/zinc/88/71/45/855887145.db2.gz PJDQEZLQNQKRAY-KRWDZBQOSA-N 1 2 398.576 3.719 20 10 GHCDLO COc1ccc(CN2CC[NH+](Cc3cc(Cl)cc(OC)c3O)CC2)cc1F ZINC000761185073 858984605 /nfs/dbraw/zinc/98/46/05/858984605.db2.gz YQQSTTHBWDYAJN-UHFFFAOYSA-N 1 2 394.874 3.520 20 10 GHCDLO CN(C)c1nc(C[NH2+]Cc2ccc3c(c2)CCO3)c(Cl)n1-c1ccccc1 ZINC000727643589 860173565 /nfs/dbraw/zinc/17/35/65/860173565.db2.gz CYCHGDDRQUQVHV-UHFFFAOYSA-N 1 2 382.895 3.816 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000172200539 863345069 /nfs/dbraw/zinc/34/50/69/863345069.db2.gz UJQMCVWTVBKXNA-LJQANCHMSA-N 1 2 395.551 3.516 20 10 GHCDLO COc1cc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000301939601 865618266 /nfs/dbraw/zinc/61/82/66/865618266.db2.gz TWFQCUVYVNOFRC-UHFFFAOYSA-N 1 2 391.855 3.588 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCSCC4)nc[nH+]3)cc2)CC1 ZINC000302915913 865988337 /nfs/dbraw/zinc/98/83/37/865988337.db2.gz VXKIXLOBBDTHDS-UHFFFAOYSA-N 1 2 383.565 3.878 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCSCC4)[nH+]cn3)cc2)CC1 ZINC000302915913 865988351 /nfs/dbraw/zinc/98/83/51/865988351.db2.gz VXKIXLOBBDTHDS-UHFFFAOYSA-N 1 2 383.565 3.878 20 10 GHCDLO CC[N@H+](Cc1cnn(-c2ccccc2)n1)Cc1cc(Br)ccc1O ZINC000743870823 868469552 /nfs/dbraw/zinc/46/95/52/868469552.db2.gz CEWZVPQKUYAEAI-UHFFFAOYSA-N 1 2 387.281 3.758 20 10 GHCDLO CC[N@@H+](Cc1cnn(-c2ccccc2)n1)Cc1cc(Br)ccc1O ZINC000743870823 868469558 /nfs/dbraw/zinc/46/95/58/868469558.db2.gz CEWZVPQKUYAEAI-UHFFFAOYSA-N 1 2 387.281 3.758 20 10 GHCDLO COc1cccc(O)c1C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000793609821 882327730 /nfs/dbraw/zinc/32/77/30/882327730.db2.gz CKDVFHPJXFJFKY-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO COc1cccc(O)c1C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000793609821 882327746 /nfs/dbraw/zinc/32/77/46/882327746.db2.gz CKDVFHPJXFJFKY-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1O ZINC000775671781 872675408 /nfs/dbraw/zinc/67/54/08/872675408.db2.gz AUNZQLBWKLWOQK-UHFFFAOYSA-N 1 2 383.879 3.793 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC000767910175 872955845 /nfs/dbraw/zinc/95/58/45/872955845.db2.gz RHWPDRFUBIDGKH-MRXNPFEDSA-N 1 2 379.806 3.774 20 10 GHCDLO O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC001197173644 873637774 /nfs/dbraw/zinc/63/77/74/873637774.db2.gz DVUDNLVTROATGS-QURGRASLSA-N 1 2 384.505 3.818 20 10 GHCDLO CC(C)[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nc(-c2cccnc2)no1 ZINC000858123047 882862582 /nfs/dbraw/zinc/86/25/82/882862582.db2.gz WCWDOYRDGBDFRY-SFHVURJKSA-N 1 2 387.434 3.963 20 10 GHCDLO CS[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1Nc1ccc(N)[nH+]c1 ZINC001201293003 875599352 /nfs/dbraw/zinc/59/93/52/875599352.db2.gz VKQBDKKXOJUIOU-FQEVSTJZSA-N 1 2 392.484 3.528 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1 ZINC000007354576 876776374 /nfs/dbraw/zinc/77/63/74/876776374.db2.gz JPINFTHDBAMRIC-QGZVFWFLSA-N 1 2 378.476 3.937 20 10 GHCDLO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCCN1Cc1ccc(F)cc1F ZINC000787438642 877402291 /nfs/dbraw/zinc/40/22/91/877402291.db2.gz SEOYCZJGNVFECD-QGZVFWFLSA-N 1 2 398.812 3.744 20 10 GHCDLO C[NH+]1CCN(c2ccc(NCc3cc(F)ccc3O)cc2Br)CC1 ZINC000787436452 877402904 /nfs/dbraw/zinc/40/29/04/877402904.db2.gz BORVMEQWOGRYRB-UHFFFAOYSA-N 1 2 394.288 3.658 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1O ZINC000787996242 877765247 /nfs/dbraw/zinc/76/52/47/877765247.db2.gz VVTNWGJKPMAVRU-NRFANRHFSA-N 1 2 392.471 3.709 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1O ZINC000787996242 877765258 /nfs/dbraw/zinc/76/52/58/877765258.db2.gz VVTNWGJKPMAVRU-NRFANRHFSA-N 1 2 392.471 3.709 20 10 GHCDLO CCn1cccc(C[NH2+][C@H](C)c2cc(Br)cc(Cl)c2O)c1=O ZINC000788604258 878200522 /nfs/dbraw/zinc/20/05/22/878200522.db2.gz JDCNMVMHRRWMPK-SNVBAGLBSA-N 1 2 385.689 3.841 20 10 GHCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(c3ccc(OC)c(F)c3)C2=O)c1 ZINC000776726264 879663147 /nfs/dbraw/zinc/66/31/47/879663147.db2.gz ICNMNQQGPRSUBS-LZYBPNLTSA-N 1 2 390.461 3.952 20 10 GHCDLO OC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1cccc(Br)c1 ZINC000763446070 881170794 /nfs/dbraw/zinc/17/07/94/881170794.db2.gz UTLSHAPFLVIQQV-CYBMUJFWSA-N 1 2 384.701 3.749 20 10 GHCDLO C[C@@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000858582519 883213765 /nfs/dbraw/zinc/21/37/65/883213765.db2.gz XJWPZKJKCKXCEQ-MRXNPFEDSA-N 1 2 396.514 3.723 20 10 GHCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000804858783 883438927 /nfs/dbraw/zinc/43/89/27/883438927.db2.gz HMYMRZHFFBJTAO-OAHLLOKOSA-N 1 2 398.290 3.928 20 10 GHCDLO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)n1-c1ccccn1 ZINC000153239567 884234340 /nfs/dbraw/zinc/23/43/40/884234340.db2.gz YZHCZIMRLHEHST-UHFFFAOYSA-N 1 2 390.487 3.574 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000860043265 884284668 /nfs/dbraw/zinc/28/46/68/884284668.db2.gz RJZCDNOZASLSPI-KSFYIVLOSA-N 1 2 390.487 3.826 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1cccc(Cl)c1O ZINC000806133205 884353565 /nfs/dbraw/zinc/35/35/65/884353565.db2.gz JAADDUZHVLKJHL-GOSISDBHSA-N 1 2 396.940 3.973 20 10 GHCDLO Cn1cc(C[NH2+]Cc2cccc(Cl)c2O)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000898219427 884636943 /nfs/dbraw/zinc/63/69/43/884636943.db2.gz GQIWPYHLFOVYTR-UHFFFAOYSA-N 1 2 399.878 3.897 20 10 GHCDLO CC[C@H](C)[N@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000862387269 886342196 /nfs/dbraw/zinc/34/21/96/886342196.db2.gz JHZYYLTVUZSVFV-VIFPVBQESA-N 1 2 381.108 3.510 20 10 GHCDLO CC[C@H](C)[N@@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000862387269 886342212 /nfs/dbraw/zinc/34/22/12/886342212.db2.gz JHZYYLTVUZSVFV-VIFPVBQESA-N 1 2 381.108 3.510 20 10 GHCDLO Oc1ccc(Br)cc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000794785635 888032558 /nfs/dbraw/zinc/03/25/58/888032558.db2.gz FNVIHDUJPWBJCY-UHFFFAOYSA-N 1 2 396.248 3.896 20 10 GHCDLO CC[N@H+](Cc1cc(Br)cc(Br)c1O)[C@@H]1CCOC1 ZINC000812781095 890961690 /nfs/dbraw/zinc/96/16/90/890961690.db2.gz ZSZNROJHMYWWKJ-LLVKDONJSA-N 1 2 379.092 3.528 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@@H]1CCOC1 ZINC000812781095 890961694 /nfs/dbraw/zinc/96/16/94/890961694.db2.gz ZSZNROJHMYWWKJ-LLVKDONJSA-N 1 2 379.092 3.528 20 10 GHCDLO CCO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cs1 ZINC000076721236 891536161 /nfs/dbraw/zinc/53/61/61/891536161.db2.gz SJYLILIFKJLPQD-INIZCTEOSA-N 1 2 375.538 3.962 20 10 GHCDLO CCO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)cs1 ZINC000076721236 891536169 /nfs/dbraw/zinc/53/61/69/891536169.db2.gz SJYLILIFKJLPQD-INIZCTEOSA-N 1 2 375.538 3.962 20 10 GHCDLO OC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(Br)c(F)c1 ZINC000813792129 891981897 /nfs/dbraw/zinc/98/18/97/891981897.db2.gz JRLPMKZWUJUPRM-ZDUSSCGKSA-N 1 2 392.627 3.910 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1F ZINC000874448567 892133126 /nfs/dbraw/zinc/13/31/26/892133126.db2.gz UZEDBGDVKTUABG-MRXNPFEDSA-N 1 2 386.393 3.678 20 10 GHCDLO COc1cccc(OC)c1OC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876620239 893260453 /nfs/dbraw/zinc/26/04/53/893260453.db2.gz IPDILOHICUTZQH-UHFFFAOYSA-N 1 2 379.403 3.731 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774849823 913787487 /nfs/dbraw/zinc/78/74/87/913787487.db2.gz LIVKWAUBBXPXKM-GOSISDBHSA-N 1 2 396.447 3.923 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774849823 913787494 /nfs/dbraw/zinc/78/74/94/913787494.db2.gz LIVKWAUBBXPXKM-GOSISDBHSA-N 1 2 396.447 3.923 20 10 GHCDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)C(=O)Nc1ccccc1 ZINC000774869286 913843722 /nfs/dbraw/zinc/84/37/22/913843722.db2.gz JWQLQCJLSVKLJQ-CQSZACIVSA-N 1 2 387.436 3.548 20 10 GHCDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)C(=O)Nc1ccccc1 ZINC000774869286 913843737 /nfs/dbraw/zinc/84/37/37/913843737.db2.gz JWQLQCJLSVKLJQ-CQSZACIVSA-N 1 2 387.436 3.548 20 10 GHCDLO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816601128 894963946 /nfs/dbraw/zinc/96/39/46/894963946.db2.gz SGORDLCZEFKGBB-MRXNPFEDSA-N 1 2 376.859 3.508 20 10 GHCDLO COC1([C@@H](C)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCOCC1 ZINC000817587794 895757770 /nfs/dbraw/zinc/75/77/70/895757770.db2.gz IDGOBDSRSACGBV-WDEREUQCSA-N 1 2 376.266 3.529 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(Br)cc(Br)c1[O-] ZINC000817950094 895974831 /nfs/dbraw/zinc/97/48/31/895974831.db2.gz RREYQOFUFFJMSW-ONGXEEELSA-N 1 2 392.135 3.710 20 10 GHCDLO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3cccnc3Cl)cc2F)CC1 ZINC000155275119 898550919 /nfs/dbraw/zinc/55/09/19/898550919.db2.gz LLCQBKYZDKYXKV-HNNXBMFYSA-N 1 2 376.907 3.867 20 10 GHCDLO CN(C)C(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)[nH]1 ZINC000289694755 914300016 /nfs/dbraw/zinc/30/00/16/914300016.db2.gz FUGDRTQCEQGMRR-UHFFFAOYSA-N 1 2 380.492 3.578 20 10 GHCDLO CN(C)C(=O)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)[nH]1 ZINC000289694755 914300020 /nfs/dbraw/zinc/30/00/20/914300020.db2.gz FUGDRTQCEQGMRR-UHFFFAOYSA-N 1 2 380.492 3.578 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)CC1 ZINC000155946425 899236416 /nfs/dbraw/zinc/23/64/16/899236416.db2.gz XSZUEGBKKXYBSF-JOCHJYFZSA-N 1 2 394.519 3.681 20 10 GHCDLO CS[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000824683965 899764381 /nfs/dbraw/zinc/76/43/81/899764381.db2.gz ZDPONRWEQMSPIU-SNVBAGLBSA-N 1 2 381.133 3.855 20 10 GHCDLO CS[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000824683965 899764387 /nfs/dbraw/zinc/76/43/87/899764387.db2.gz ZDPONRWEQMSPIU-SNVBAGLBSA-N 1 2 381.133 3.855 20 10 GHCDLO CCc1noc([C@H]2CCC[N@H+](Cc3cc(Br)c(F)cc3O)C2)n1 ZINC001144306951 901687564 /nfs/dbraw/zinc/68/75/64/901687564.db2.gz XVKINKWZLAVWBL-JTQLQIEISA-N 1 2 384.249 3.619 20 10 GHCDLO CCc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)c(F)cc3O)C2)n1 ZINC001144306951 901687567 /nfs/dbraw/zinc/68/75/67/901687567.db2.gz XVKINKWZLAVWBL-JTQLQIEISA-N 1 2 384.249 3.619 20 10 GHCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCn3c(Cc4ccccc4F)nnc3C2)cc1 ZINC000846017997 902601277 /nfs/dbraw/zinc/60/12/77/902601277.db2.gz IRWMGPFTRNTCPE-AATRIKPKSA-N 1 2 391.494 3.603 20 10 GHCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCn3c(Cc4ccccc4F)nnc3C2)cc1 ZINC000846017997 902601284 /nfs/dbraw/zinc/60/12/84/902601284.db2.gz IRWMGPFTRNTCPE-AATRIKPKSA-N 1 2 391.494 3.603 20 10 GHCDLO COC(=O)[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCC[C@H](OC)C1 ZINC000846108758 902684348 /nfs/dbraw/zinc/68/43/48/902684348.db2.gz RFPNJJSPKVLHFR-RCZSKKKRSA-N 1 2 383.488 3.896 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)cc(F)c1O ZINC000846216910 902792953 /nfs/dbraw/zinc/79/29/53/902792953.db2.gz XPLKFMAWCNJBEK-BMIGLBTASA-N 1 2 395.272 3.721 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000195150159 908972370 /nfs/dbraw/zinc/97/23/70/908972370.db2.gz JQVLHQVMRLOSFQ-UHFFFAOYSA-N 1 2 384.524 3.895 20 10 GHCDLO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2O)C1 ZINC001181622216 910885716 /nfs/dbraw/zinc/88/57/16/910885716.db2.gz RPQKDWDXGJGLOS-GDBMZVCRSA-N 1 2 382.451 3.893 20 10 GHCDLO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2O)C1 ZINC001181622216 910885723 /nfs/dbraw/zinc/88/57/23/910885723.db2.gz RPQKDWDXGJGLOS-GDBMZVCRSA-N 1 2 382.451 3.893 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)cc(F)c1O ZINC000774395749 911707359 /nfs/dbraw/zinc/70/73/59/911707359.db2.gz KCCHJRPPMCARLP-ONGXEEELSA-N 1 2 375.337 3.590 20 10 GHCDLO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCN1c1cccc(Br)c1 ZINC000775204589 916254837 /nfs/dbraw/zinc/25/48/37/916254837.db2.gz PQEXELQEJREAAD-HNNXBMFYSA-N 1 2 395.684 3.703 20 10 GHCDLO CCS[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775254119 916652910 /nfs/dbraw/zinc/65/29/10/916652910.db2.gz HCRWNGVCPFUJNQ-CABCVRRESA-N 1 2 376.526 3.571 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c1O ZINC000750043409 927402309 /nfs/dbraw/zinc/40/23/09/927402309.db2.gz BBQPGBFYOPQVLO-UHFFFAOYSA-N 1 2 396.915 3.985 20 10 GHCDLO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000753575129 929426094 /nfs/dbraw/zinc/42/60/94/929426094.db2.gz GKGNWNVSYXQRJC-ISVAXAHUSA-N 1 2 379.092 3.574 20 10 GHCDLO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000753575127 929426343 /nfs/dbraw/zinc/42/63/43/929426343.db2.gz GKGNWNVSYXQRJC-AMIZOPFISA-N 1 2 379.092 3.574 20 10 GHCDLO C[C@@H](Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)c1cc([N+](=O)[O-])ccc1O ZINC000757657115 929761082 /nfs/dbraw/zinc/76/10/82/929761082.db2.gz LPJHEOFOBGCBGJ-CQSZACIVSA-N 1 2 385.464 3.603 20 10 GHCDLO C[C@@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1cc([N+](=O)[O-])ccc1O ZINC000757657115 929761090 /nfs/dbraw/zinc/76/10/90/929761090.db2.gz LPJHEOFOBGCBGJ-CQSZACIVSA-N 1 2 385.464 3.603 20 10 GHCDLO COCC1(O)CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC000759315497 930339992 /nfs/dbraw/zinc/33/99/92/930339992.db2.gz DPQILCHQIMKQCI-UHFFFAOYSA-N 1 2 398.547 3.874 20 10 GHCDLO COc1cccc2c(NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc[nH+]c12 ZINC000780529986 930542260 /nfs/dbraw/zinc/54/22/60/930542260.db2.gz PZRVDESMGVMRRY-KRWDZBQOSA-N 1 2 390.487 3.557 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000781897095 931016078 /nfs/dbraw/zinc/01/60/78/931016078.db2.gz OEIDUQLWPOQEJD-CQSZACIVSA-N 1 2 399.329 3.952 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000781897095 931016088 /nfs/dbraw/zinc/01/60/88/931016088.db2.gz OEIDUQLWPOQEJD-CQSZACIVSA-N 1 2 399.329 3.952 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@H]1CCCOC1 ZINC000780780096 931270714 /nfs/dbraw/zinc/27/07/14/931270714.db2.gz ICUMEBAVCUBWIC-UWVGGRQHSA-N 1 2 393.119 3.822 20 10 GHCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783004272 931382949 /nfs/dbraw/zinc/38/29/49/931382949.db2.gz JVJZXDISDPXFEB-UHFFFAOYSA-N 1 2 393.535 3.661 20 10 GHCDLO CO[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@H]1C ZINC000784668417 931971796 /nfs/dbraw/zinc/97/17/96/931971796.db2.gz OVAFKKBTHIVAKI-TVQRCGJNSA-N 1 2 393.119 3.774 20 10 GHCDLO CO[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@H]1C ZINC000784668417 931971800 /nfs/dbraw/zinc/97/18/00/931971800.db2.gz OVAFKKBTHIVAKI-TVQRCGJNSA-N 1 2 393.119 3.774 20 10 GHCDLO Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c(O)c1O ZINC000797780556 932404925 /nfs/dbraw/zinc/40/49/25/932404925.db2.gz QDGWPPNBCLTRRJ-UHFFFAOYSA-N 1 2 385.851 3.599 20 10 GHCDLO Cc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000798088669 932524267 /nfs/dbraw/zinc/52/42/67/932524267.db2.gz RODWQHRQHZZLGY-PXAZEXFGSA-N 1 2 385.888 3.757 20 10 GHCDLO Fc1ccc([C@@H]2c3[nH]cnc3CC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000931387516 934535458 /nfs/dbraw/zinc/53/54/58/934535458.db2.gz IPQCGHPWLLNCEF-HSZRJFAPSA-N 1 2 392.478 3.533 20 10 GHCDLO Fc1ccc([C@@H]2c3[nH]cnc3CC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000931387516 934535464 /nfs/dbraw/zinc/53/54/64/934535464.db2.gz IPQCGHPWLLNCEF-HSZRJFAPSA-N 1 2 392.478 3.533 20 10 GHCDLO Cc1cnc(CC[N@@H+](C)CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)s1 ZINC000828492631 935645259 /nfs/dbraw/zinc/64/52/59/935645259.db2.gz OSESNPXUJJBJSH-UHFFFAOYSA-N 1 2 386.496 3.750 20 10 GHCDLO Cc1cnc(CC[N@H+](C)CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)s1 ZINC000828492631 935645262 /nfs/dbraw/zinc/64/52/62/935645262.db2.gz OSESNPXUJJBJSH-UHFFFAOYSA-N 1 2 386.496 3.750 20 10 GHCDLO O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(OC3CC[NH+](C4CC4)CC3)c12 ZINC001227504364 1032444869 /nfs/dbraw/zinc/44/48/69/1032444869.db2.gz JQUWBKCLEVMFMI-UHFFFAOYSA-N 1 2 393.439 3.877 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001204235520 1032681416 /nfs/dbraw/zinc/68/14/16/1032681416.db2.gz AJPUNIBQWHCPQU-SFHVURJKSA-N 1 2 388.414 3.599 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001204235520 1032681427 /nfs/dbraw/zinc/68/14/27/1032681427.db2.gz AJPUNIBQWHCPQU-SFHVURJKSA-N 1 2 388.414 3.599 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001204338551 1032779941 /nfs/dbraw/zinc/77/99/41/1032779941.db2.gz KJFSOMVOCNFVEY-KRWDZBQOSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001204338551 1032779957 /nfs/dbraw/zinc/77/99/57/1032779957.db2.gz KJFSOMVOCNFVEY-KRWDZBQOSA-N 1 2 391.309 3.652 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(Cl)c1O ZINC000834882331 1021608272 /nfs/dbraw/zinc/60/82/72/1021608272.db2.gz NPEYGISQWOXJOV-QGZVFWFLSA-N 1 2 382.913 3.537 20 10 GHCDLO O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140580666 1022000284 /nfs/dbraw/zinc/00/02/84/1022000284.db2.gz CJSNTVBQLXUXKF-FQEVSTJZSA-N 1 2 392.471 3.860 20 10 GHCDLO CC(C)(C)OC(=O)NC(=S)C1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140584165 1022007032 /nfs/dbraw/zinc/00/70/32/1022007032.db2.gz GRJPSBRNBRKOGF-UHFFFAOYSA-N 1 2 386.464 3.735 20 10 GHCDLO Cc1nc(NCc2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)cc[nH+]1 ZINC000754902980 1022958750 /nfs/dbraw/zinc/95/87/50/1022958750.db2.gz FSPOWLSOEMSVFX-UHFFFAOYSA-N 1 2 389.503 3.735 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000755342961 1023205864 /nfs/dbraw/zinc/20/58/64/1023205864.db2.gz AFMTWPLQIRWIJM-UHFFFAOYSA-N 1 2 389.503 3.702 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(Br)cc(F)c1O ZINC000756455473 1023660403 /nfs/dbraw/zinc/66/04/03/1023660403.db2.gz DAJGDULGFAWWMW-JSGCOSHPSA-N 1 2 382.273 3.796 20 10 GHCDLO COc1cc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2)cc(OC)c1 ZINC000756647958 1023753057 /nfs/dbraw/zinc/75/30/57/1023753057.db2.gz UHOSWTYWFLZKAU-XJKSGUPXSA-N 1 2 392.446 3.613 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(Br)cc(F)c1O ZINC000756660201 1023759954 /nfs/dbraw/zinc/75/99/54/1023759954.db2.gz KZZQROARMRNYSI-BZNIZROVSA-N 1 2 393.256 3.750 20 10 GHCDLO Cc1c(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c2ccccc2n1C ZINC001138255835 1024480315 /nfs/dbraw/zinc/48/03/15/1024480315.db2.gz UYXXESKKQLWVCM-FDFHNCONSA-N 1 2 395.478 3.832 20 10 GHCDLO Cc1c(C[N@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c2ccccc2n1C ZINC001138255835 1024480330 /nfs/dbraw/zinc/48/03/30/1024480330.db2.gz UYXXESKKQLWVCM-FDFHNCONSA-N 1 2 395.478 3.832 20 10 GHCDLO COc1ccccc1N1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC001205045859 1033224290 /nfs/dbraw/zinc/22/42/90/1033224290.db2.gz FQLBKJISIHDFHK-UHFFFAOYSA-N 1 2 391.309 3.794 20 10 GHCDLO Oc1c(C[N@@H+]2CCc3c([nH]nc3C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138341764 1024702539 /nfs/dbraw/zinc/70/25/39/1024702539.db2.gz JXFMVCCEQDDIBP-LJQANCHMSA-N 1 2 392.425 3.948 20 10 GHCDLO Oc1c(C[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138341764 1024702548 /nfs/dbraw/zinc/70/25/48/1024702548.db2.gz JXFMVCCEQDDIBP-LJQANCHMSA-N 1 2 392.425 3.948 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001141367858 1024741135 /nfs/dbraw/zinc/74/11/35/1024741135.db2.gz UHNYGZNPBVQBOW-UHFFFAOYSA-N 1 2 396.716 3.915 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC001141367858 1024741147 /nfs/dbraw/zinc/74/11/47/1024741147.db2.gz UHNYGZNPBVQBOW-UHFFFAOYSA-N 1 2 396.716 3.915 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)c(OC)c1 ZINC001138386537 1024758520 /nfs/dbraw/zinc/75/85/20/1024758520.db2.gz QEJQXXDUJBZDAI-NRFANRHFSA-N 1 2 379.504 3.554 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)c(OC)c1 ZINC001138386537 1024758531 /nfs/dbraw/zinc/75/85/31/1024758531.db2.gz QEJQXXDUJBZDAI-NRFANRHFSA-N 1 2 379.504 3.554 20 10 GHCDLO FC1(F)CC2(C[NH+](Cc3ccc(N4CCOCC4)c(Br)c3)C2)C1 ZINC001138676014 1025201085 /nfs/dbraw/zinc/20/10/85/1025201085.db2.gz VIGATUHQGGGRTP-UHFFFAOYSA-N 1 2 387.268 3.517 20 10 GHCDLO CC1(C)C[NH+](Cc2ccc(N3CCOCC3)c(Br)c2)CC(C)(C)O1 ZINC001138677502 1025203118 /nfs/dbraw/zinc/20/31/18/1025203118.db2.gz JWZHSDMIRSSYGA-UHFFFAOYSA-N 1 2 397.357 3.675 20 10 GHCDLO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839103171 1025605358 /nfs/dbraw/zinc/60/53/58/1025605358.db2.gz KHJBGHVRWILCJM-UHFFFAOYSA-N 1 2 380.467 3.684 20 10 GHCDLO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839103171 1025605366 /nfs/dbraw/zinc/60/53/66/1025605366.db2.gz KHJBGHVRWILCJM-UHFFFAOYSA-N 1 2 380.467 3.684 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(Br)c3OC)CC2)cc1 ZINC001140151771 1026924756 /nfs/dbraw/zinc/92/47/56/1026924756.db2.gz PARKXAFCCDNDAU-UHFFFAOYSA-N 1 2 391.309 3.789 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2Cc1cc(Br)ccc1O ZINC001203650596 1027506520 /nfs/dbraw/zinc/50/65/20/1027506520.db2.gz XJHZCULHTZXQEP-GJZGRUSLSA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2Cc1cc(Br)ccc1O ZINC001203650596 1027506532 /nfs/dbraw/zinc/50/65/32/1027506532.db2.gz XJHZCULHTZXQEP-GJZGRUSLSA-N 1 2 397.313 3.738 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000840477905 1027562147 /nfs/dbraw/zinc/56/21/47/1027562147.db2.gz BEKLNHIDNMSYMA-GOSISDBHSA-N 1 2 383.540 3.579 20 10 GHCDLO Cc1cc(Cl)cc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000841497870 1028697836 /nfs/dbraw/zinc/69/78/36/1028697836.db2.gz ZWMQHAQTVHYMOS-VBKFSLOCSA-N 1 2 396.965 3.572 20 10 GHCDLO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(Br)c1O ZINC001276944809 1030875730 /nfs/dbraw/zinc/87/57/30/1030875730.db2.gz YCPUYEMMBOHLDV-HZPDHXFCSA-N 1 2 399.304 3.659 20 10 GHCDLO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(Br)c1O ZINC001276944809 1030875750 /nfs/dbraw/zinc/87/57/50/1030875750.db2.gz YCPUYEMMBOHLDV-HZPDHXFCSA-N 1 2 399.304 3.659 20 10 GHCDLO Fc1ccc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)nc1 ZINC001207045451 1034067681 /nfs/dbraw/zinc/06/76/81/1034067681.db2.gz WCUMCYSZTZJIEI-UHFFFAOYSA-N 1 2 378.451 3.517 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)ccc1[N+](=O)[O-] ZINC001207100475 1034091929 /nfs/dbraw/zinc/09/19/29/1034091929.db2.gz CMSMORMKYLGROI-UHFFFAOYSA-N 1 2 382.338 3.886 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)ccc1[N+](=O)[O-] ZINC001207100475 1034091944 /nfs/dbraw/zinc/09/19/44/1034091944.db2.gz CMSMORMKYLGROI-UHFFFAOYSA-N 1 2 382.338 3.886 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1O ZINC001231554371 1034707110 /nfs/dbraw/zinc/70/71/10/1034707110.db2.gz QBONAJMZDIJGGE-QGZVFWFLSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1ccc(Br)c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1O ZINC001231554371 1034707120 /nfs/dbraw/zinc/70/71/20/1034707120.db2.gz QBONAJMZDIJGGE-QGZVFWFLSA-N 1 2 378.266 3.737 20 10 GHCDLO CCn1nnc2c1CC[N@H+](Cc1cccc(C)c1O)[C@H]2COCc1ccccc1 ZINC001231591698 1034745166 /nfs/dbraw/zinc/74/51/66/1034745166.db2.gz HJAHUNJUYWKSAL-NRFANRHFSA-N 1 2 392.503 3.628 20 10 GHCDLO CCn1nnc2c1CC[N@@H+](Cc1cccc(C)c1O)[C@H]2COCc1ccccc1 ZINC001231591698 1034745181 /nfs/dbraw/zinc/74/51/81/1034745181.db2.gz HJAHUNJUYWKSAL-NRFANRHFSA-N 1 2 392.503 3.628 20 10 GHCDLO Cc1nc(CO[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)[C@@H]3CCCO[C@H]23)cs1 ZINC001231910639 1034984247 /nfs/dbraw/zinc/98/42/47/1034984247.db2.gz SWKVAIDMQOIRDU-LMMKCTJWSA-N 1 2 394.924 3.759 20 10 GHCDLO Cc1nc(CO[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)[C@@H]3CCCO[C@H]23)cs1 ZINC001231910639 1034984253 /nfs/dbraw/zinc/98/42/53/1034984253.db2.gz SWKVAIDMQOIRDU-LMMKCTJWSA-N 1 2 394.924 3.759 20 10 GHCDLO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]2CCCO[C@H]12 ZINC001231910893 1034985396 /nfs/dbraw/zinc/98/53/96/1034985396.db2.gz YTDJZVKVBIUZDW-SCWSEQNSSA-N 1 2 390.911 3.750 20 10 GHCDLO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]2CCCO[C@H]12 ZINC001231910893 1034985403 /nfs/dbraw/zinc/98/54/03/1034985403.db2.gz YTDJZVKVBIUZDW-SCWSEQNSSA-N 1 2 390.911 3.750 20 10 GHCDLO Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)n(-c2ccccc2)n1 ZINC001231914872 1034987782 /nfs/dbraw/zinc/98/77/82/1034987782.db2.gz UCGYWPSLKYXFMQ-UHFFFAOYSA-N 1 2 382.895 3.862 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCC[C@](C)(F)C2)c(O)c1I ZINC001248481820 1035909100 /nfs/dbraw/zinc/90/91/00/1035909100.db2.gz HKXCRCZSJNBEKN-HNNXBMFYSA-N 1 2 393.240 3.720 20 10 GHCDLO COc1ccc(C[N@H+]2CCCC[C@](C)(F)C2)c(O)c1I ZINC001248481820 1035909107 /nfs/dbraw/zinc/90/91/07/1035909107.db2.gz HKXCRCZSJNBEKN-HNNXBMFYSA-N 1 2 393.240 3.720 20 10 GHCDLO COc1cc2ncnc(N(C)c3cccc(-c4c[nH+]cn4C)c3)c2cc1OC ZINC001243071436 1036021685 /nfs/dbraw/zinc/02/16/85/1036021685.db2.gz RQYLHWUFZVMUOM-UHFFFAOYSA-N 1 2 375.432 3.815 20 10 GHCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3CCn4cccc4C3)c2)nc1C ZINC001232452151 1038237171 /nfs/dbraw/zinc/23/71/71/1038237171.db2.gz NMTBHLNLAOZRHH-UHFFFAOYSA-N 1 2 397.500 3.818 20 10 GHCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3CCn4cccc4C3)c2)nc1C ZINC001232452151 1038237181 /nfs/dbraw/zinc/23/71/81/1038237181.db2.gz NMTBHLNLAOZRHH-UHFFFAOYSA-N 1 2 397.500 3.818 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001233034012 1038787117 /nfs/dbraw/zinc/78/71/17/1038787117.db2.gz ZIGUQLQQYSDXCC-ZIAGYGMSSA-N 1 2 391.284 3.862 20 10 GHCDLO C[N@H+](Cc1cccc(C(F)(F)F)c1O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001233419334 1039280988 /nfs/dbraw/zinc/28/09/88/1039280988.db2.gz UDYVIXDSYFECQH-NHAGDIPZSA-N 1 2 386.414 3.708 20 10 GHCDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001233419334 1039281001 /nfs/dbraw/zinc/28/10/01/1039281001.db2.gz UDYVIXDSYFECQH-NHAGDIPZSA-N 1 2 386.414 3.708 20 10 GHCDLO COc1ccc2ccc(O)c(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c2c1 ZINC001234569097 1040136815 /nfs/dbraw/zinc/13/68/15/1040136815.db2.gz JKVLOUOUMOQEMQ-FQEVSTJZSA-N 1 2 376.447 3.859 20 10 GHCDLO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235056813 1040545848 /nfs/dbraw/zinc/54/58/48/1040545848.db2.gz HLIOXESUWPOODL-KRWDZBQOSA-N 1 2 388.277 3.849 20 10 GHCDLO CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235056813 1040545853 /nfs/dbraw/zinc/54/58/53/1040545853.db2.gz HLIOXESUWPOODL-KRWDZBQOSA-N 1 2 388.277 3.849 20 10 GHCDLO O=C([C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1)N1CCCCC1 ZINC001235065244 1040554075 /nfs/dbraw/zinc/55/40/75/1040554075.db2.gz NRWYDXSRVLLCOK-ZDUSSCGKSA-N 1 2 399.304 3.518 20 10 GHCDLO O=C([C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1)N1CCCCC1 ZINC001235065244 1040554091 /nfs/dbraw/zinc/55/40/91/1040554091.db2.gz NRWYDXSRVLLCOK-ZDUSSCGKSA-N 1 2 399.304 3.518 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001235076221 1040565816 /nfs/dbraw/zinc/56/58/16/1040565816.db2.gz USHFNAVWGHRWEE-GASCZTMLSA-N 1 2 391.284 3.862 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001235076221 1040565830 /nfs/dbraw/zinc/56/58/30/1040565830.db2.gz USHFNAVWGHRWEE-GASCZTMLSA-N 1 2 391.284 3.862 20 10 GHCDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)nc1 ZINC001235306456 1040780640 /nfs/dbraw/zinc/78/06/40/1040780640.db2.gz FYFCDICUHWIYME-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)nc1 ZINC001235306456 1040780660 /nfs/dbraw/zinc/78/06/60/1040780660.db2.gz FYFCDICUHWIYME-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001236664001 1041811924 /nfs/dbraw/zinc/81/19/24/1041811924.db2.gz RIHIOVNNGHPMDM-ZDUSSCGKSA-N 1 2 386.286 3.989 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001236664001 1041811931 /nfs/dbraw/zinc/81/19/31/1041811931.db2.gz RIHIOVNNGHPMDM-ZDUSSCGKSA-N 1 2 386.286 3.989 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c1 ZINC001236665302 1041811963 /nfs/dbraw/zinc/81/19/63/1041811963.db2.gz IPUXYZHGYVPZNG-UHFFFAOYSA-N 1 2 396.716 3.834 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC001236665845 1041813104 /nfs/dbraw/zinc/81/31/04/1041813104.db2.gz KTDFBCLQBRRAJX-YQVWRLOYSA-N 1 2 396.325 3.622 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC001236665845 1041813109 /nfs/dbraw/zinc/81/31/09/1041813109.db2.gz KTDFBCLQBRRAJX-YQVWRLOYSA-N 1 2 396.325 3.622 20 10 GHCDLO Oc1ccc(OCc2ccccc2)cc1CN1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001236788968 1041894533 /nfs/dbraw/zinc/89/45/33/1041894533.db2.gz MAFPNMMGFAJWJO-UHFFFAOYSA-N 1 2 388.458 3.887 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1Cl ZINC001236801055 1041903152 /nfs/dbraw/zinc/90/31/52/1041903152.db2.gz DHSFGLFRGOHVCT-HXUWFJFHSA-N 1 2 396.915 3.887 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1Cl ZINC001236801055 1041903153 /nfs/dbraw/zinc/90/31/53/1041903153.db2.gz DHSFGLFRGOHVCT-HXUWFJFHSA-N 1 2 396.915 3.887 20 10 GHCDLO CCOc1cccc(N2CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)c1 ZINC001236807296 1041907996 /nfs/dbraw/zinc/90/79/96/1041907996.db2.gz NKOFIPZOAKBNTM-UHFFFAOYSA-N 1 2 376.884 3.775 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)c1Cl ZINC001236809775 1041910652 /nfs/dbraw/zinc/91/06/52/1041910652.db2.gz OGHPMFVVTKYKNR-JSGCOSHPSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)c1Cl ZINC001236809775 1041910656 /nfs/dbraw/zinc/91/06/56/1041910656.db2.gz OGHPMFVVTKYKNR-JSGCOSHPSA-N 1 2 384.904 3.932 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278025039 1041946188 /nfs/dbraw/zinc/94/61/88/1041946188.db2.gz LLCYPMOFWGENDC-HXUWFJFHSA-N 1 2 380.891 3.942 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CCC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278025039 1041946190 /nfs/dbraw/zinc/94/61/90/1041946190.db2.gz LLCYPMOFWGENDC-HXUWFJFHSA-N 1 2 380.891 3.942 20 10 GHCDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c(O)c1 ZINC001237044763 1042004353 /nfs/dbraw/zinc/00/43/53/1042004353.db2.gz DDVYKFTZAWPHLC-AZUAARDMSA-N 1 2 390.524 3.726 20 10 GHCDLO CC(C)c1ccc(C[N@H+]2CCO[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c(O)c1 ZINC001237044763 1042004360 /nfs/dbraw/zinc/00/43/60/1042004360.db2.gz DDVYKFTZAWPHLC-AZUAARDMSA-N 1 2 390.524 3.726 20 10 GHCDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cc(Br)cc1F ZINC001278046706 1042011696 /nfs/dbraw/zinc/01/16/96/1042011696.db2.gz XHYNJLLKLNKEPJ-HZPDHXFCSA-N 1 2 399.304 3.515 20 10 GHCDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)cc(Br)cc1F ZINC001278046706 1042011702 /nfs/dbraw/zinc/01/17/02/1042011702.db2.gz XHYNJLLKLNKEPJ-HZPDHXFCSA-N 1 2 399.304 3.515 20 10 GHCDLO COc1ccc(C[N@H+](C)Cc2c(O)cc(OC)cc2Br)c(OC)c1 ZINC001237066784 1042018450 /nfs/dbraw/zinc/01/84/50/1042018450.db2.gz BDEJEZIOCUDPEO-UHFFFAOYSA-N 1 2 396.281 3.813 20 10 GHCDLO COc1ccc(C[N@@H+](C)Cc2c(O)cc(OC)cc2Br)c(OC)c1 ZINC001237066784 1042018457 /nfs/dbraw/zinc/01/84/57/1042018457.db2.gz BDEJEZIOCUDPEO-UHFFFAOYSA-N 1 2 396.281 3.813 20 10 GHCDLO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3Cl)C[C@H]21 ZINC001237124999 1042053472 /nfs/dbraw/zinc/05/34/72/1042053472.db2.gz QIXCYTMLUSBXNA-SUMWQHHRSA-N 1 2 392.833 3.670 20 10 GHCDLO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@H+](Cc3c(O)ccc(F)c3Cl)C[C@H]21 ZINC001237124999 1042053476 /nfs/dbraw/zinc/05/34/76/1042053476.db2.gz QIXCYTMLUSBXNA-SUMWQHHRSA-N 1 2 392.833 3.670 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237618987 1042285324 /nfs/dbraw/zinc/28/53/24/1042285324.db2.gz LQIKLKSJLBWAIH-BLLLJJGKSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237618987 1042285329 /nfs/dbraw/zinc/28/53/29/1042285329.db2.gz LQIKLKSJLBWAIH-BLLLJJGKSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237618989 1042285543 /nfs/dbraw/zinc/28/55/43/1042285543.db2.gz LQIKLKSJLBWAIH-LRDDRELGSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237618989 1042285550 /nfs/dbraw/zinc/28/55/50/1042285550.db2.gz LQIKLKSJLBWAIH-LRDDRELGSA-N 1 2 381.904 3.738 20 10 GHCDLO COc1ccccc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237623491 1042289733 /nfs/dbraw/zinc/28/97/33/1042289733.db2.gz OHAAKNRMRFXTLJ-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO CCn1nnc2c1CC[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)[C@H]2COC ZINC001237645283 1042300806 /nfs/dbraw/zinc/30/08/06/1042300806.db2.gz JVPRYYIVOZYTFE-FQEVSTJZSA-N 1 2 396.466 3.556 20 10 GHCDLO CCn1nnc2c1CC[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)[C@H]2COC ZINC001237645283 1042300814 /nfs/dbraw/zinc/30/08/14/1042300814.db2.gz JVPRYYIVOZYTFE-FQEVSTJZSA-N 1 2 396.466 3.556 20 10 GHCDLO Cc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1Br ZINC001237685072 1042325977 /nfs/dbraw/zinc/32/59/77/1042325977.db2.gz NEBLBXYPHQZNOC-MRXNPFEDSA-N 1 2 389.284 3.769 20 10 GHCDLO C[N@H+](Cc1cccc(I)c1O)Cc1cccc(F)c1F ZINC001237788982 1042370323 /nfs/dbraw/zinc/37/03/23/1042370323.db2.gz QLMUWMXKDMQJOP-UHFFFAOYSA-N 1 2 389.183 3.907 20 10 GHCDLO C[N@@H+](Cc1cccc(I)c1O)Cc1cccc(F)c1F ZINC001237788982 1042370327 /nfs/dbraw/zinc/37/03/27/1042370327.db2.gz QLMUWMXKDMQJOP-UHFFFAOYSA-N 1 2 389.183 3.907 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)CC[C@@H]2C1 ZINC001237798795 1042375661 /nfs/dbraw/zinc/37/56/61/1042375661.db2.gz CMOWDOYNASYPNS-OCCSQVGLSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)CC[C@@H]2C1 ZINC001237798795 1042375663 /nfs/dbraw/zinc/37/56/63/1042375663.db2.gz CMOWDOYNASYPNS-OCCSQVGLSA-N 1 2 384.879 3.874 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001237800188 1042376334 /nfs/dbraw/zinc/37/63/34/1042376334.db2.gz MZDFHBIKBAZTDU-AWEZNQCLSA-N 1 2 377.847 3.513 20 10 GHCDLO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(F)cc(Cl)c1O ZINC001237806226 1042379857 /nfs/dbraw/zinc/37/98/57/1042379857.db2.gz RNEKMACSVSPOEO-HNNXBMFYSA-N 1 2 375.868 3.755 20 10 GHCDLO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(F)cc(Cl)c1O ZINC001237806226 1042379861 /nfs/dbraw/zinc/37/98/61/1042379861.db2.gz RNEKMACSVSPOEO-HNNXBMFYSA-N 1 2 375.868 3.755 20 10 GHCDLO Oc1cc(Cl)c(F)cc1CN1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001237937185 1042427842 /nfs/dbraw/zinc/42/78/42/1042427842.db2.gz NFEBMYBUISYEHG-BLLLJJGKSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1cc(Cl)c(F)cc1CN1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001237937185 1042427845 /nfs/dbraw/zinc/42/78/45/1042427845.db2.gz NFEBMYBUISYEHG-BLLLJJGKSA-N 1 2 381.904 3.738 20 10 GHCDLO Cn1c2ccccc2n(C2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)c1=O ZINC001237938087 1042428637 /nfs/dbraw/zinc/42/86/37/1042428637.db2.gz XOEHVUKELSJWDZ-UHFFFAOYSA-N 1 2 389.858 3.675 20 10 GHCDLO Cc1ccc([C@H]2C[C@H]2c2nnc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)o2)cc1 ZINC001257341980 1043969161 /nfs/dbraw/zinc/96/91/61/1043969161.db2.gz OWNBVMGLKBRZAY-WOJBJXKFSA-N 1 2 391.471 3.854 20 10 GHCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001295595647 1045063680 /nfs/dbraw/zinc/06/36/80/1045063680.db2.gz VHKOLXWMXBAIDA-PKOBYXMFSA-N 1 2 375.472 3.941 20 10 GHCDLO Oc1cccc(Br)c1CNc1ccccc1C[NH+]1CCOCC1 ZINC001261787434 1046092028 /nfs/dbraw/zinc/09/20/28/1046092028.db2.gz PCJZORFCTZOAKS-UHFFFAOYSA-N 1 2 377.282 3.599 20 10 GHCDLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001302060559 1046797459 /nfs/dbraw/zinc/79/74/59/1046797459.db2.gz QJPUWJSMDRNVNP-JOCHJYFZSA-N 1 2 391.519 3.727 20 10 GHCDLO CC(C)[N@H+](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CCC1 ZINC001307530485 1049375528 /nfs/dbraw/zinc/37/55/28/1049375528.db2.gz XHGDZEFXWOHOBF-UHFFFAOYSA-N 1 2 376.456 3.663 20 10 GHCDLO CC(C)[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CCC1 ZINC001307530485 1049375537 /nfs/dbraw/zinc/37/55/37/1049375537.db2.gz XHGDZEFXWOHOBF-UHFFFAOYSA-N 1 2 376.456 3.663 20 10 GHCDLO C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC001307590210 1049429245 /nfs/dbraw/zinc/42/92/45/1049429245.db2.gz SPYHPICZRYAVAG-PMPSAXMXSA-N 1 2 390.483 3.767 20 10 GHCDLO C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC001307590210 1049429253 /nfs/dbraw/zinc/42/92/53/1049429253.db2.gz SPYHPICZRYAVAG-PMPSAXMXSA-N 1 2 390.483 3.767 20 10 GHCDLO Oc1cc(Br)ccc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC001308670977 1050054537 /nfs/dbraw/zinc/05/45/37/1050054537.db2.gz FFRQBIIRTQSDDD-SFHVURJKSA-N 1 2 376.294 3.988 20 10 GHCDLO Oc1cc(Br)ccc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC001308670977 1050054541 /nfs/dbraw/zinc/05/45/41/1050054541.db2.gz FFRQBIIRTQSDDD-SFHVURJKSA-N 1 2 376.294 3.988 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001308737592 1050076312 /nfs/dbraw/zinc/07/63/12/1050076312.db2.gz JKQHORVLADFKNH-ZDUSSCGKSA-N 1 2 399.235 3.871 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001308737592 1050076316 /nfs/dbraw/zinc/07/63/16/1050076316.db2.gz JKQHORVLADFKNH-ZDUSSCGKSA-N 1 2 399.235 3.871 20 10 GHCDLO CC[NH+](CC)C1CC[NH+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC001318694010 1054800482 /nfs/dbraw/zinc/80/04/82/1054800482.db2.gz ZTGFIWMFXCVKNZ-UHFFFAOYSA-N 1 2 382.504 3.635 20 10 GHCDLO COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccc3cn[nH]c3c2)c1O ZINC000848549494 1057170044 /nfs/dbraw/zinc/17/00/44/1057170044.db2.gz WALQAXNPKAALHT-NSHDSACASA-N 1 2 390.281 3.933 20 10 GHCDLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC001452959760 1061051478 /nfs/dbraw/zinc/05/14/78/1061051478.db2.gz HCXHQMFYFYRFKR-JOCHJYFZSA-N 1 2 395.547 3.764 20 10 GHCDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c(O)c1O ZINC001465063815 1065363975 /nfs/dbraw/zinc/36/39/75/1065363975.db2.gz PVRPAMXQYSXOAJ-OAHLLOKOSA-N 1 2 392.858 3.593 20 10 GHCDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c(O)c1O ZINC001465063815 1065363992 /nfs/dbraw/zinc/36/39/92/1065363992.db2.gz PVRPAMXQYSXOAJ-OAHLLOKOSA-N 1 2 392.858 3.593 20 10 GHCDLO COc1ccc2c(c1)c1c(n2CC(=O)NCCCNc2cccc[nH+]2)CCCC1 ZINC001465395214 1065584667 /nfs/dbraw/zinc/58/46/67/1065584667.db2.gz SBSCLPZGEQXELC-UHFFFAOYSA-N 1 2 392.503 3.542 20 10 GHCDLO Cc1cc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC001467681327 1067416465 /nfs/dbraw/zinc/41/64/65/1067416465.db2.gz XPSVUNHZGDXJRU-INIZCTEOSA-N 1 2 389.927 3.540 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1 ZINC001472588711 1073563982 /nfs/dbraw/zinc/56/39/82/1073563982.db2.gz GDWCDWJARNWRPC-MRXNPFEDSA-N 1 2 377.891 3.911 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1 ZINC001472588711 1073563992 /nfs/dbraw/zinc/56/39/92/1073563992.db2.gz GDWCDWJARNWRPC-MRXNPFEDSA-N 1 2 377.891 3.911 20 10 GHCDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001472818922 1073679934 /nfs/dbraw/zinc/67/99/34/1073679934.db2.gz GBBKLHURDGYIIW-YESZJQIVSA-N 1 2 397.475 3.735 20 10 GHCDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001472818922 1073679936 /nfs/dbraw/zinc/67/99/36/1073679936.db2.gz GBBKLHURDGYIIW-YESZJQIVSA-N 1 2 397.475 3.735 20 10 GHCDLO COc1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c(Br)cc1O ZINC001474200979 1074291218 /nfs/dbraw/zinc/29/12/18/1074291218.db2.gz LJFZQWCHXJUNHF-UHFFFAOYSA-N 1 2 390.636 3.951 20 10 GHCDLO CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(C)C ZINC001474602744 1074479605 /nfs/dbraw/zinc/47/96/05/1074479605.db2.gz BSOFCDYKUPZHCD-AWEZNQCLSA-N 1 2 376.266 3.750 20 10 GHCDLO Cn1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)n1 ZINC000363868890 839351692 /nfs/dbraw/zinc/35/16/92/839351692.db2.gz SMJBVXCAFYBZJR-JOCHJYFZSA-N 1 2 396.922 3.789 20 10 GHCDLO O=C(C1=CC(=O)CS1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000732262630 862177740 /nfs/dbraw/zinc/17/77/40/862177740.db2.gz VUMOYYXFFJIZJK-UHFFFAOYSA-N 1 2 384.423 3.821 20 10 GHCDLO O=C(C1=CC(=O)CS1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000732262630 862177746 /nfs/dbraw/zinc/17/77/46/862177746.db2.gz VUMOYYXFFJIZJK-UHFFFAOYSA-N 1 2 384.423 3.821 20 10 GHCDLO Cc1cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000729444227 851205104 /nfs/dbraw/zinc/20/51/04/851205104.db2.gz IHNJVKONYZHYKH-HZPDHXFCSA-N 1 2 389.927 3.587 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H](C)NC(=O)OC(C)(C)C ZINC000715793085 859708635 /nfs/dbraw/zinc/70/86/35/859708635.db2.gz VHYGEEAFDGAEHP-ZJUUUORDSA-N 1 2 391.281 3.685 20 10 GHCDLO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000763881935 860888174 /nfs/dbraw/zinc/88/81/74/860888174.db2.gz WISKEQIIAOGNMI-FQEVSTJZSA-N 1 2 384.480 3.758 20 10 GHCDLO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000763881935 860888190 /nfs/dbraw/zinc/88/81/90/860888190.db2.gz WISKEQIIAOGNMI-FQEVSTJZSA-N 1 2 384.480 3.758 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)NCCCNc3cccc[nH+]3)c2C)cc1 ZINC000735828329 865004131 /nfs/dbraw/zinc/00/41/31/865004131.db2.gz OSTZYPFKQLISBZ-UHFFFAOYSA-N 1 2 378.476 3.730 20 10 GHCDLO CO[C@]1(C)CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000793215651 882013333 /nfs/dbraw/zinc/01/33/33/882013333.db2.gz DKNWLXTYSCBKLQ-CQSZACIVSA-N 1 2 393.119 3.918 20 10 GHCDLO CO[C@]1(C)CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000793215651 882013346 /nfs/dbraw/zinc/01/33/46/882013346.db2.gz DKNWLXTYSCBKLQ-CQSZACIVSA-N 1 2 393.119 3.918 20 10 GHCDLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(Cc2ccccc2)no1 ZINC000743475236 868223293 /nfs/dbraw/zinc/22/32/93/868223293.db2.gz ZRMUIKBQSYYBRL-ROUUACIJSA-N 1 2 392.503 3.909 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000744305369 868745883 /nfs/dbraw/zinc/74/58/83/868745883.db2.gz LZSLHVLRXKBSIR-UHFFFAOYSA-N 1 2 380.536 3.690 20 10 GHCDLO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc2)C1=O ZINC000793607114 882315955 /nfs/dbraw/zinc/31/59/55/882315955.db2.gz ORPLPGFCGPGZFE-OAQYLSRUSA-N 1 2 399.878 3.560 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)c1O ZINC001194213712 871560151 /nfs/dbraw/zinc/56/01/51/871560151.db2.gz SFFJAGXULDKIOT-QGZVFWFLSA-N 1 2 394.899 3.835 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)c1O ZINC001194213712 871560159 /nfs/dbraw/zinc/56/01/59/871560159.db2.gz SFFJAGXULDKIOT-QGZVFWFLSA-N 1 2 394.899 3.835 20 10 GHCDLO OCC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775680934 872812986 /nfs/dbraw/zinc/81/29/86/872812986.db2.gz LQCBXHNTXDKNMK-JTQLQIEISA-N 1 2 393.119 3.512 20 10 GHCDLO OCC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775680934 872812991 /nfs/dbraw/zinc/81/29/91/872812991.db2.gz LQCBXHNTXDKNMK-JTQLQIEISA-N 1 2 393.119 3.512 20 10 GHCDLO Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c[nH+]1 ZINC000767949851 872980565 /nfs/dbraw/zinc/98/05/65/872980565.db2.gz NGDQIBUXBDHAQS-OAHLLOKOSA-N 1 2 390.434 3.512 20 10 GHCDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(Br)c1O ZINC000768181576 873151257 /nfs/dbraw/zinc/15/12/57/873151257.db2.gz YKQSIUUMJYTABZ-UHFFFAOYSA-N 1 2 377.282 3.788 20 10 GHCDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000768181576 873151262 /nfs/dbraw/zinc/15/12/62/873151262.db2.gz YKQSIUUMJYTABZ-UHFFFAOYSA-N 1 2 377.282 3.788 20 10 GHCDLO O=S(=O)(NCCOc1cc[nH+]cc1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197196969 873645397 /nfs/dbraw/zinc/64/53/97/873645397.db2.gz ONSSPDFZDXVSID-GHVJWSGMSA-N 1 2 382.445 3.854 20 10 GHCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000768985169 873722193 /nfs/dbraw/zinc/72/21/93/873722193.db2.gz QLDWQOLIGCWRQS-UHFFFAOYSA-N 1 2 395.286 3.666 20 10 GHCDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(O)c1 ZINC000769154416 873853614 /nfs/dbraw/zinc/85/36/14/873853614.db2.gz RSUCVSYBSCKHOC-UHFFFAOYSA-N 1 2 392.858 3.541 20 10 GHCDLO C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(Br)cc(F)c1O ZINC000528015390 873915575 /nfs/dbraw/zinc/91/55/75/873915575.db2.gz LLLYKOXYHUHDIT-NSHDSACASA-N 1 2 387.293 3.593 20 10 GHCDLO CC(C)[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nc(-c2ccncc2)no1 ZINC000858122770 882863036 /nfs/dbraw/zinc/86/30/36/882863036.db2.gz QZRSYAZYFHZMFR-SFHVURJKSA-N 1 2 387.434 3.963 20 10 GHCDLO CN1CCO[C@H]([C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)c2ccc(Cl)cc2)C1 ZINC000776253212 876033065 /nfs/dbraw/zinc/03/30/65/876033065.db2.gz LCZCHLLUNQJHLK-ROUUACIJSA-N 1 2 399.293 4.000 20 10 GHCDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000153162778 883022279 /nfs/dbraw/zinc/02/22/79/883022279.db2.gz HBXZZAGWXSDXJP-IBGZPJMESA-N 1 2 394.519 3.910 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)c(F)cc1O ZINC000850554696 877021838 /nfs/dbraw/zinc/02/18/38/877021838.db2.gz FLCZKIPSQAHILV-WDEREUQCSA-N 1 2 387.293 3.591 20 10 GHCDLO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001183094841 912279525 /nfs/dbraw/zinc/27/95/25/912279525.db2.gz LUGXSUNIEJDGRA-NSHDSACASA-N 1 2 389.721 3.545 20 10 GHCDLO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001183094841 912279540 /nfs/dbraw/zinc/27/95/40/912279540.db2.gz LUGXSUNIEJDGRA-NSHDSACASA-N 1 2 389.721 3.545 20 10 GHCDLO CN(C)c1ccc(C[NH2+]Cc2noc(-c3cccc(Br)c3)n2)cc1 ZINC000790946317 880093080 /nfs/dbraw/zinc/09/30/80/880093080.db2.gz PSRBGGUUGPLVCP-UHFFFAOYSA-N 1 2 387.281 3.855 20 10 GHCDLO Oc1ccc(F)cc1C[NH2+]Cc1noc(-c2cccc(Br)c2)n1 ZINC000790940453 880115456 /nfs/dbraw/zinc/11/54/56/880115456.db2.gz KYPIXXMHZWIIQR-UHFFFAOYSA-N 1 2 378.201 3.634 20 10 GHCDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000173318890 880927818 /nfs/dbraw/zinc/92/78/18/880927818.db2.gz CXEOKOXBXDXBMR-UHFFFAOYSA-N 1 2 395.551 3.596 20 10 GHCDLO O=C(Oc1ccccc1)N1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792166369 880958269 /nfs/dbraw/zinc/95/82/69/880958269.db2.gz ZIBKDPKWDVVMKG-UHFFFAOYSA-N 1 2 378.831 3.891 20 10 GHCDLO O=C(Oc1ccccc1)N1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792166369 880958271 /nfs/dbraw/zinc/95/82/71/880958271.db2.gz ZIBKDPKWDVVMKG-UHFFFAOYSA-N 1 2 378.831 3.891 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000860043266 884284875 /nfs/dbraw/zinc/28/48/75/884284875.db2.gz RJZCDNOZASLSPI-OPAMFIHVSA-N 1 2 390.487 3.826 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCc3cc(Br)c(F)cc3C2)cc1OC ZINC001184089470 912993767 /nfs/dbraw/zinc/99/37/67/912993767.db2.gz RLTYFEIKKQPGID-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCc3cc(Br)c(F)cc3C2)cc1OC ZINC001184089470 912993778 /nfs/dbraw/zinc/99/37/78/912993778.db2.gz RLTYFEIKKQPGID-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc(F)c(N(C)C)cc1F ZINC000862354509 886314631 /nfs/dbraw/zinc/31/46/31/886314631.db2.gz AERLRVOMLWIYMB-UHFFFAOYSA-N 1 2 381.492 3.539 20 10 GHCDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc(F)c(N(C)C)cc1F ZINC000862354509 886314647 /nfs/dbraw/zinc/31/46/47/886314647.db2.gz AERLRVOMLWIYMB-UHFFFAOYSA-N 1 2 381.492 3.539 20 10 GHCDLO OC[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C1CCCC1 ZINC000811518739 889672740 /nfs/dbraw/zinc/67/27/40/889672740.db2.gz PNMIZIIJDXSZFE-ZDUSSCGKSA-N 1 2 393.119 3.558 20 10 GHCDLO COc1c(O)c(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)ccc1[N+](=O)[O-] ZINC000877806742 893818021 /nfs/dbraw/zinc/81/80/21/893818021.db2.gz JXCDYIWANGCADZ-UHFFFAOYSA-N 1 2 391.733 3.666 20 10 GHCDLO CSCC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nnc2ccccn21 ZINC000816530431 894897065 /nfs/dbraw/zinc/89/70/65/894897065.db2.gz ICPQENYOGVIZCL-AWEZNQCLSA-N 1 2 380.876 3.811 20 10 GHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000816573879 894951980 /nfs/dbraw/zinc/95/19/80/894951980.db2.gz OPAPUVCWUSZNMT-UHFFFAOYSA-N 1 2 378.753 3.853 20 10 GHCDLO O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001185838070 914116085 /nfs/dbraw/zinc/11/60/85/914116085.db2.gz AGEQYBHUTXJSCR-QGZVFWFLSA-N 1 2 388.427 3.912 20 10 GHCDLO COc1ccc(N2CC[C@@H](CNc3[nH+]cnc4c3cnn4C(C)(C)C)C2)cc1 ZINC000819936308 897071372 /nfs/dbraw/zinc/07/13/72/897071372.db2.gz RIJZNWOBCXYCBX-HNNXBMFYSA-N 1 2 380.496 3.528 20 10 GHCDLO COc1ccc([C@@H](CCO)[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC000883078453 897257997 /nfs/dbraw/zinc/25/79/97/897257997.db2.gz RJGYIQSDWCWPAI-MRXNPFEDSA-N 1 2 384.245 3.516 20 10 GHCDLO CCc1c(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]c(C)c1C(C)=O ZINC000131582088 897523954 /nfs/dbraw/zinc/52/39/54/897523954.db2.gz FMFHGSVEWBYPQQ-SFHVURJKSA-N 1 2 398.503 3.658 20 10 GHCDLO CCc1c(C(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]c(C)c1C(C)=O ZINC000131582088 897523968 /nfs/dbraw/zinc/52/39/68/897523968.db2.gz FMFHGSVEWBYPQQ-SFHVURJKSA-N 1 2 398.503 3.658 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+](C)Cc2csc(C(C)(C)O)n2)c1O ZINC000825153252 900017919 /nfs/dbraw/zinc/01/79/19/900017919.db2.gz JYXLLDFIJHHPQT-UHFFFAOYSA-N 1 2 385.327 3.779 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)c1O ZINC000825153252 900017929 /nfs/dbraw/zinc/01/79/29/900017929.db2.gz JYXLLDFIJHHPQT-UHFFFAOYSA-N 1 2 385.327 3.779 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299965 901652210 /nfs/dbraw/zinc/65/22/10/901652210.db2.gz NSJMCAWHXILPGY-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299965 901652219 /nfs/dbraw/zinc/65/22/19/901652219.db2.gz NSJMCAWHXILPGY-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO CCc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)c(F)cc3O)C2)n1 ZINC001144306952 901687128 /nfs/dbraw/zinc/68/71/28/901687128.db2.gz XVKINKWZLAVWBL-SNVBAGLBSA-N 1 2 384.249 3.619 20 10 GHCDLO CCc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)c(F)cc3O)C2)n1 ZINC001144306952 901687133 /nfs/dbraw/zinc/68/71/33/901687133.db2.gz XVKINKWZLAVWBL-SNVBAGLBSA-N 1 2 384.249 3.619 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(Cl)cc(OC)c3)CC2)c(OC)c1 ZINC001144489567 902266479 /nfs/dbraw/zinc/26/64/79/902266479.db2.gz IXNQIGKFGYILPP-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO COc1cc(OC)cc([C@H]([NH2+][C@H](C)c2cccc(OC)c2O)c2nccn2C)c1 ZINC000846139345 902745735 /nfs/dbraw/zinc/74/57/35/902745735.db2.gz RNDRITUYNIHIDB-VLIAUNLRSA-N 1 2 397.475 3.592 20 10 GHCDLO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc2)C[C@H](C)O1 ZINC000180844937 906857947 /nfs/dbraw/zinc/85/79/47/906857947.db2.gz CNPMTGCBDBDSRK-GASCZTMLSA-N 1 2 388.895 3.585 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001175196146 907408269 /nfs/dbraw/zinc/40/82/69/907408269.db2.gz WLKSVVDPPSCCKI-XHDPSFHLSA-N 1 2 382.888 3.736 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001175196146 907408271 /nfs/dbraw/zinc/40/82/71/907408271.db2.gz WLKSVVDPPSCCKI-XHDPSFHLSA-N 1 2 382.888 3.736 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC001177525448 908609912 /nfs/dbraw/zinc/60/99/12/908609912.db2.gz VEXKYHUDTHCVQI-UHFFFAOYSA-N 1 2 376.229 3.769 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cn(Cc3ccc(OC)cc3)nn2)cc1 ZINC001180363998 910123664 /nfs/dbraw/zinc/12/36/64/910123664.db2.gz MKWXNHAVXPRVLW-UHFFFAOYSA-N 1 2 393.535 3.813 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn(Cc3ccc(OC)cc3)nn2)cc1 ZINC001180363998 910123673 /nfs/dbraw/zinc/12/36/73/910123673.db2.gz MKWXNHAVXPRVLW-UHFFFAOYSA-N 1 2 393.535 3.813 20 10 GHCDLO COc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(Br)c3)C2)c1O ZINC000092592048 911636106 /nfs/dbraw/zinc/63/61/06/911636106.db2.gz KXGKPEHOYUMAQT-QGZVFWFLSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cccc(C[N@H+]2CCO[C@@H](c3cccc(Br)c3)C2)c1O ZINC000092592048 911636112 /nfs/dbraw/zinc/63/61/12/911636112.db2.gz KXGKPEHOYUMAQT-QGZVFWFLSA-N 1 2 378.266 3.737 20 10 GHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)cc2Cl)C1 ZINC000800570686 920282583 /nfs/dbraw/zinc/28/25/83/920282583.db2.gz BNDQZFJVLYKKGM-RDJZCZTQSA-N 1 2 386.927 3.652 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCCOC(F)F ZINC000802656309 922314127 /nfs/dbraw/zinc/31/41/27/922314127.db2.gz IBNBWPNAKSEWPS-UHFFFAOYSA-N 1 2 389.034 3.636 20 10 GHCDLO O=C(NCc1ccccc1O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000748461398 923671152 /nfs/dbraw/zinc/67/11/52/923671152.db2.gz XFAJLBDPDQXCHD-QGZVFWFLSA-N 1 2 391.874 3.821 20 10 GHCDLO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)s1 ZINC000827950645 926374616 /nfs/dbraw/zinc/37/46/16/926374616.db2.gz SYDUHMQFCKMTOE-JTQLQIEISA-N 1 2 384.860 3.807 20 10 GHCDLO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)s1 ZINC000827950645 926374620 /nfs/dbraw/zinc/37/46/20/926374620.db2.gz SYDUHMQFCKMTOE-JTQLQIEISA-N 1 2 384.860 3.807 20 10 GHCDLO COC[C@]1(C[NH2+]Cc2cccc(Cl)c2O)CCCN1C(=O)OC(C)(C)C ZINC000388622458 926383595 /nfs/dbraw/zinc/38/35/95/926383595.db2.gz TYJHFVTVUZZQRC-LJQANCHMSA-N 1 2 384.904 3.551 20 10 GHCDLO Cc1cc(CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)c(C)n1-c1ccccc1 ZINC000726767860 926842001 /nfs/dbraw/zinc/84/20/01/926842001.db2.gz LXCLWPOKGYJLJL-UHFFFAOYSA-N 1 2 386.499 3.952 20 10 GHCDLO OC[C@]1(C[NH2+]Cc2cccc(Br)c2O)C[C@H]1c1ccc(F)cc1 ZINC000758531458 930073702 /nfs/dbraw/zinc/07/37/02/930073702.db2.gz ZRLIWVPTZOPWCK-MAUKXSAKSA-N 1 2 380.257 3.550 20 10 GHCDLO CC(=O)N1CC[N@H+](Cc2cc(C)cc(Br)c2O)CC12CCCCC2 ZINC000781911164 931025497 /nfs/dbraw/zinc/02/54/97/931025497.db2.gz YADGMNOWAXIJPO-UHFFFAOYSA-N 1 2 395.341 3.830 20 10 GHCDLO CC(=O)N1CC[N@@H+](Cc2cc(C)cc(Br)c2O)CC12CCCCC2 ZINC000781911164 931025500 /nfs/dbraw/zinc/02/55/00/931025500.db2.gz YADGMNOWAXIJPO-UHFFFAOYSA-N 1 2 395.341 3.830 20 10 GHCDLO C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000927117566 932419597 /nfs/dbraw/zinc/41/95/97/932419597.db2.gz OWTYPQHFRUAMBJ-CYBMUJFWSA-N 1 2 393.940 3.557 20 10 GHCDLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(N(C)C)cc1 ZINC000799975814 933197913 /nfs/dbraw/zinc/19/79/13/933197913.db2.gz QUWUXJMMYBOAJR-IEBWSBKVSA-N 1 2 395.551 3.936 20 10 GHCDLO Cc1cc(C(=O)CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828321747 935611904 /nfs/dbraw/zinc/61/19/04/935611904.db2.gz GTPBLLOIFJZSEQ-INIZCTEOSA-N 1 2 397.910 3.928 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCCC[C@@H]2c2ccnn2C)c(C)n1-c1ccc(F)cn1 ZINC000829449401 935810725 /nfs/dbraw/zinc/81/07/25/935810725.db2.gz XNUFJOSAHRDNNF-HXUWFJFHSA-N 1 2 395.482 3.772 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c(C)n1-c1ccc(F)cn1 ZINC000829449401 935810728 /nfs/dbraw/zinc/81/07/28/935810728.db2.gz XNUFJOSAHRDNNF-HXUWFJFHSA-N 1 2 395.482 3.772 20 10 GHCDLO O=C(c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328287 1032771346 /nfs/dbraw/zinc/77/13/46/1032771346.db2.gz GDFYUKOHQDGVGH-UHFFFAOYSA-N 1 2 383.923 3.898 20 10 GHCDLO CC1(C)SC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000802661744 1021518232 /nfs/dbraw/zinc/51/82/32/1021518232.db2.gz XEAQSLXBVVUTDH-JTQLQIEISA-N 1 2 381.133 3.901 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1C ZINC000748834695 1021723447 /nfs/dbraw/zinc/72/34/47/1021723447.db2.gz ZGUBQNLHPNCLLS-OAQYLSRUSA-N 1 2 396.531 3.855 20 10 GHCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCn3c(CCc4ccccc4)nnc3C2)cc1 ZINC000835026855 1021783306 /nfs/dbraw/zinc/78/33/06/1021783306.db2.gz XYVGXOZVWWNGQR-RMKNXTFCSA-N 1 2 387.531 3.658 20 10 GHCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCn3c(CCc4ccccc4)nnc3C2)cc1 ZINC000835026855 1021783322 /nfs/dbraw/zinc/78/33/22/1021783322.db2.gz XYVGXOZVWWNGQR-RMKNXTFCSA-N 1 2 387.531 3.658 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000756412626 1023634771 /nfs/dbraw/zinc/63/47/71/1023634771.db2.gz VEMZJVMFUUKNQQ-JKSUJKDBSA-N 1 2 375.463 3.532 20 10 GHCDLO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)cc(F)c2O)c1 ZINC000756461529 1023664926 /nfs/dbraw/zinc/66/49/26/1023664926.db2.gz UCPMBQSLUFZGCT-GFCCVEGCSA-N 1 2 395.272 3.683 20 10 GHCDLO CSc1nnc(CCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)n1CC(C)C ZINC000756576978 1023718852 /nfs/dbraw/zinc/71/88/52/1023718852.db2.gz WYGONNGXDBIWIC-GFCCVEGCSA-N 1 2 384.496 3.923 20 10 GHCDLO C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756614659 1023738609 /nfs/dbraw/zinc/73/86/09/1023738609.db2.gz UHVVGAMWZOITGB-OAHLLOKOSA-N 1 2 384.480 3.686 20 10 GHCDLO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Br)cc(F)c1O ZINC000756658467 1023758244 /nfs/dbraw/zinc/75/82/44/1023758244.db2.gz JTAZCQZXBMFVEH-QMMMGPOBSA-N 1 2 396.182 3.903 20 10 GHCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cc3c(cc1Br)OCO3)CCC2 ZINC001138186344 1024327987 /nfs/dbraw/zinc/32/79/87/1024327987.db2.gz WJQHOLSYEXDBOW-UHFFFAOYSA-N 1 2 392.249 3.537 20 10 GHCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cc3c(cc1Br)OCO3)CCC2 ZINC001138186344 1024328003 /nfs/dbraw/zinc/32/80/03/1024328003.db2.gz WJQHOLSYEXDBOW-UHFFFAOYSA-N 1 2 392.249 3.537 20 10 GHCDLO CC(C)N(C)C(=O)c1noc2c1C[N@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138216736 1024385008 /nfs/dbraw/zinc/38/50/08/1024385008.db2.gz JGTLCEPDWNAHAT-UHFFFAOYSA-N 1 2 396.535 3.704 20 10 GHCDLO CC(C)N(C)C(=O)c1noc2c1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138216736 1024385017 /nfs/dbraw/zinc/38/50/17/1024385017.db2.gz JGTLCEPDWNAHAT-UHFFFAOYSA-N 1 2 396.535 3.704 20 10 GHCDLO CC(C)(C)OC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138222062 1024399237 /nfs/dbraw/zinc/39/92/37/1024399237.db2.gz FDMFWHJWCUCVTP-NRFANRHFSA-N 1 2 388.552 4.000 20 10 GHCDLO CC(C)(C)OC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138222062 1024399249 /nfs/dbraw/zinc/39/92/49/1024399249.db2.gz FDMFWHJWCUCVTP-NRFANRHFSA-N 1 2 388.552 4.000 20 10 GHCDLO Cc1c(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)c2ccccc2n1C ZINC001138253734 1024473610 /nfs/dbraw/zinc/47/36/10/1024473610.db2.gz DYWVXAGGQVZKBO-GOSISDBHSA-N 1 2 380.536 3.992 20 10 GHCDLO Cc1c(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)c2ccccc2n1C ZINC001138253734 1024473623 /nfs/dbraw/zinc/47/36/23/1024473623.db2.gz DYWVXAGGQVZKBO-GOSISDBHSA-N 1 2 380.536 3.992 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001141377588 1024774529 /nfs/dbraw/zinc/77/45/29/1024774529.db2.gz UMLPBMWZAPYAIF-LSDHHAIUSA-N 1 2 391.712 3.816 20 10 GHCDLO FC(F)(F)c1ccccc1OC1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138498217 1024930474 /nfs/dbraw/zinc/93/04/74/1024930474.db2.gz WGWNPAPNGOIUMQ-UHFFFAOYSA-N 1 2 392.421 3.805 20 10 GHCDLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500620 1024934043 /nfs/dbraw/zinc/93/40/43/1024934043.db2.gz DORWBMJZPPCQDZ-IBGZPJMESA-N 1 2 383.511 3.541 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001139129634 1025941193 /nfs/dbraw/zinc/94/11/93/1025941193.db2.gz BOQDMMWACHHFHX-SFHVURJKSA-N 1 2 379.456 3.988 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001139129634 1025941194 /nfs/dbraw/zinc/94/11/94/1025941194.db2.gz BOQDMMWACHHFHX-SFHVURJKSA-N 1 2 379.456 3.988 20 10 GHCDLO Cc1ccc([C@]2(C)C[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)CCO2)cc1 ZINC001139131315 1025943448 /nfs/dbraw/zinc/94/34/48/1025943448.db2.gz NPCQXCJKTHBNEN-QHCPKHFHSA-N 1 2 379.456 3.863 20 10 GHCDLO Cc1ccc([C@]2(C)C[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)CCO2)cc1 ZINC001139131315 1025943454 /nfs/dbraw/zinc/94/34/54/1025943454.db2.gz NPCQXCJKTHBNEN-QHCPKHFHSA-N 1 2 379.456 3.863 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC001461124949 1069403311 /nfs/dbraw/zinc/40/33/11/1069403311.db2.gz DDOFBQCJEJZFHN-NSHDSACASA-N 1 2 379.092 3.576 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(Br)ccc2O)CC12CC2 ZINC001203645582 1027503911 /nfs/dbraw/zinc/50/39/11/1027503911.db2.gz MSYQRMHXXSVDDM-UHFFFAOYSA-N 1 2 397.313 3.740 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(Br)ccc2O)CC12CC2 ZINC001203645582 1027503925 /nfs/dbraw/zinc/50/39/25/1027503925.db2.gz MSYQRMHXXSVDDM-UHFFFAOYSA-N 1 2 397.313 3.740 20 10 GHCDLO Oc1ccc(Br)cc1CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001203648014 1027505037 /nfs/dbraw/zinc/50/50/37/1027505037.db2.gz BLWKZTLSQSHZIO-MRXNPFEDSA-N 1 2 389.284 3.850 20 10 GHCDLO Nc1ccc(N(Cc2ccccc2)C(=O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC001142223436 1028413684 /nfs/dbraw/zinc/41/36/84/1028413684.db2.gz RMNFPUHDYWSFLJ-UHFFFAOYSA-N 1 2 377.513 3.922 20 10 GHCDLO Nc1ccc(N(Cc2ccccc2)C(=O)C[N@H+]2CCc3sccc3C2)cc1 ZINC001142223436 1028413696 /nfs/dbraw/zinc/41/36/96/1028413696.db2.gz RMNFPUHDYWSFLJ-UHFFFAOYSA-N 1 2 377.513 3.922 20 10 GHCDLO CN(C)C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc(F)cc1 ZINC001461554551 1069606808 /nfs/dbraw/zinc/60/68/08/1069606808.db2.gz QQYQFPFKFLQOKK-MRXNPFEDSA-N 1 2 385.252 3.825 20 10 GHCDLO Cc1c(Cl)cccc1-c1noc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC001217054422 1030125344 /nfs/dbraw/zinc/12/53/44/1030125344.db2.gz FGKJHZDCWDLANN-UHFFFAOYSA-N 1 2 385.851 3.903 20 10 GHCDLO Oc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)cc1C[NH+]1CCOCC1 ZINC001217055036 1030127584 /nfs/dbraw/zinc/12/75/84/1030127584.db2.gz ONDRTWYBFQXGMB-UHFFFAOYSA-N 1 2 389.814 3.734 20 10 GHCDLO COc1cnccc1C[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001206500344 1033876172 /nfs/dbraw/zinc/87/61/72/1033876172.db2.gz UCOOPIRDHSYWQZ-UHFFFAOYSA-N 1 2 389.499 3.991 20 10 GHCDLO Cc1nccc(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)n1 ZINC001207170047 1034140649 /nfs/dbraw/zinc/14/06/49/1034140649.db2.gz QVDYEDMWBXUCKE-UHFFFAOYSA-N 1 2 385.471 3.915 20 10 GHCDLO O=C([O-])c1ccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c(O)c1 ZINC001231451739 1034596614 /nfs/dbraw/zinc/59/66/14/1034596614.db2.gz SOQJMXKIDUXFDT-UHFFFAOYSA-N 1 2 389.411 3.598 20 10 GHCDLO Cc1ccc(S(=O)(=O)n2cccc2C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001231497445 1034640769 /nfs/dbraw/zinc/64/07/69/1034640769.db2.gz CEDQGHRAQJMTFG-UHFFFAOYSA-N 1 2 397.544 3.732 20 10 GHCDLO Cc1ccc(S(=O)(=O)n2cccc2C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001231497445 1034640777 /nfs/dbraw/zinc/64/07/77/1034640777.db2.gz CEDQGHRAQJMTFG-UHFFFAOYSA-N 1 2 397.544 3.732 20 10 GHCDLO COc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]32)c(O)cc1O ZINC001231639970 1034796004 /nfs/dbraw/zinc/79/60/04/1034796004.db2.gz NROUNVXKNMKQBC-HNNXBMFYSA-N 1 2 390.480 3.596 20 10 GHCDLO COc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]32)c(O)cc1O ZINC001231639970 1034796016 /nfs/dbraw/zinc/79/60/16/1034796016.db2.gz NROUNVXKNMKQBC-HNNXBMFYSA-N 1 2 390.480 3.596 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1ccc(N(C)C)cc1OC)C[C@H]2COCC1CC1 ZINC001231851321 1034942274 /nfs/dbraw/zinc/94/22/74/1034942274.db2.gz FDNKHQLFEVGQFS-IBGZPJMESA-N 1 2 398.551 3.504 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1ccc(N(C)C)cc1OC)C[C@H]2COCC1CC1 ZINC001231851321 1034942279 /nfs/dbraw/zinc/94/22/79/1034942279.db2.gz FDNKHQLFEVGQFS-IBGZPJMESA-N 1 2 398.551 3.504 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)cc1Cl ZINC001231868941 1034955933 /nfs/dbraw/zinc/95/59/33/1034955933.db2.gz ZPVRVNIFXCVVPC-MRXNPFEDSA-N 1 2 375.900 3.614 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)cc1Cl ZINC001231868941 1034955937 /nfs/dbraw/zinc/95/59/37/1034955937.db2.gz ZPVRVNIFXCVVPC-MRXNPFEDSA-N 1 2 375.900 3.614 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)Cc2cnn(CC3CC3)c21 ZINC001231912372 1034987131 /nfs/dbraw/zinc/98/71/31/1034987131.db2.gz ZMJLOPAIFWZLKC-KRWDZBQOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)Cc2cnn(CC3CC3)c21 ZINC001231912372 1034987133 /nfs/dbraw/zinc/98/71/33/1034987133.db2.gz ZMJLOPAIFWZLKC-KRWDZBQOSA-N 1 2 375.900 3.788 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001233027820 1038778530 /nfs/dbraw/zinc/77/85/30/1038778530.db2.gz DMVQIOJSDVYDLS-UHFFFAOYSA-N 1 2 380.204 3.684 20 10 GHCDLO CC[C@@H]1[N@H+](Cc2c(O)cc(Br)cc2F)CCC[C@]12CCC(=O)N2C ZINC001233030232 1038782920 /nfs/dbraw/zinc/78/29/20/1038782920.db2.gz YSFAQSUEFFLPIF-WMZOPIPTSA-N 1 2 399.304 3.659 20 10 GHCDLO CC[C@@H]1[N@@H+](Cc2c(O)cc(Br)cc2F)CCC[C@]12CCC(=O)N2C ZINC001233030232 1038782936 /nfs/dbraw/zinc/78/29/36/1038782936.db2.gz YSFAQSUEFFLPIF-WMZOPIPTSA-N 1 2 399.304 3.659 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1O ZINC001233107581 1038896067 /nfs/dbraw/zinc/89/60/67/1038896067.db2.gz DKEZBHSALYPNIC-YQVWRLOYSA-N 1 2 396.325 3.622 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1O ZINC001233107581 1038896087 /nfs/dbraw/zinc/89/60/87/1038896087.db2.gz DKEZBHSALYPNIC-YQVWRLOYSA-N 1 2 396.325 3.622 20 10 GHCDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829712 1039807635 /nfs/dbraw/zinc/80/76/35/1039807635.db2.gz ITGXGDLCAZPHFF-CWTRNNRKSA-N 1 2 399.318 3.634 20 10 GHCDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829712 1039807650 /nfs/dbraw/zinc/80/76/50/1039807650.db2.gz ITGXGDLCAZPHFF-CWTRNNRKSA-N 1 2 399.318 3.634 20 10 GHCDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829710 1039808242 /nfs/dbraw/zinc/80/82/42/1039808242.db2.gz ITGXGDLCAZPHFF-BLVKFPJESA-N 1 2 399.318 3.634 20 10 GHCDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829710 1039808256 /nfs/dbraw/zinc/80/82/56/1039808256.db2.gz ITGXGDLCAZPHFF-BLVKFPJESA-N 1 2 399.318 3.634 20 10 GHCDLO Cc1cc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)n1-c1ccccc1 ZINC001234328599 1039969832 /nfs/dbraw/zinc/96/98/32/1039969832.db2.gz VURPMJNXUATYKT-SFHVURJKSA-N 1 2 377.492 3.906 20 10 GHCDLO CCNc1cc(CNC(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc[nH+]1 ZINC001234335782 1039972656 /nfs/dbraw/zinc/97/26/56/1039972656.db2.gz DYVDYVXNQGXQDF-UHFFFAOYSA-N 1 2 377.492 3.920 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235064000 1040552553 /nfs/dbraw/zinc/55/25/53/1040552553.db2.gz CPSVWPIPQVYXEV-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235064000 1040552559 /nfs/dbraw/zinc/55/25/59/1040552559.db2.gz CPSVWPIPQVYXEV-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO COc1ccccc1O[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235066170 1040556041 /nfs/dbraw/zinc/55/60/41/1040556041.db2.gz XXZATYSEFNVPJQ-AWEZNQCLSA-N 1 2 396.256 3.956 20 10 GHCDLO COc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235066170 1040556056 /nfs/dbraw/zinc/55/60/56/1040556056.db2.gz XXZATYSEFNVPJQ-AWEZNQCLSA-N 1 2 396.256 3.956 20 10 GHCDLO CCc1noc([C@H]2CCC[N@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC001235067522 1040557347 /nfs/dbraw/zinc/55/73/47/1040557347.db2.gz VJBUZXUQRBKCQF-JTQLQIEISA-N 1 2 384.249 3.619 20 10 GHCDLO CCc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC001235067522 1040557359 /nfs/dbraw/zinc/55/73/59/1040557359.db2.gz VJBUZXUQRBKCQF-JTQLQIEISA-N 1 2 384.249 3.619 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001236669435 1041817107 /nfs/dbraw/zinc/81/71/07/1041817107.db2.gz MCQUSAUIHNDMMB-UHFFFAOYSA-N 1 2 378.266 3.823 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001236669435 1041817117 /nfs/dbraw/zinc/81/71/17/1041817117.db2.gz MCQUSAUIHNDMMB-UHFFFAOYSA-N 1 2 378.266 3.823 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1CN1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001236794165 1041898185 /nfs/dbraw/zinc/89/81/85/1041898185.db2.gz SVLIRQATIARYHJ-UHFFFAOYSA-N 1 2 395.334 3.897 20 10 GHCDLO COc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1Cl ZINC001236801492 1041904068 /nfs/dbraw/zinc/90/40/68/1041904068.db2.gz KEHHJPNPYWMGOH-CQSZACIVSA-N 1 2 384.904 3.933 20 10 GHCDLO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c(O)c1Cl ZINC001236801676 1041904289 /nfs/dbraw/zinc/90/42/89/1041904289.db2.gz LHVQNMFDPUFCJW-CYBMUJFWSA-N 1 2 384.904 3.743 20 10 GHCDLO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c(O)c1Cl ZINC001236801676 1041904293 /nfs/dbraw/zinc/90/42/93/1041904293.db2.gz LHVQNMFDPUFCJW-CYBMUJFWSA-N 1 2 384.904 3.743 20 10 GHCDLO CC[N@H+](Cc1ccc(OC)c(Cl)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236807883 1041908965 /nfs/dbraw/zinc/90/89/65/1041908965.db2.gz VHMZRJBYEMZBAS-AWEZNQCLSA-N 1 2 384.904 3.886 20 10 GHCDLO CC[N@@H+](Cc1ccc(OC)c(Cl)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236807883 1041908966 /nfs/dbraw/zinc/90/89/66/1041908966.db2.gz VHMZRJBYEMZBAS-AWEZNQCLSA-N 1 2 384.904 3.886 20 10 GHCDLO O=C(C1CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1)C(F)(F)F ZINC001236926875 1041961336 /nfs/dbraw/zinc/96/13/36/1041961336.db2.gz MDXYVLMWRUYVOH-UHFFFAOYSA-N 1 2 390.833 3.520 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)Cc2cnn(CC3CC3)c21 ZINC001237121035 1042048754 /nfs/dbraw/zinc/04/87/54/1042048754.db2.gz IEZSGKLRWWSGRK-HNNXBMFYSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)Cc2cnn(CC3CC3)c21 ZINC001237121035 1042048762 /nfs/dbraw/zinc/04/87/62/1042048762.db2.gz IEZSGKLRWWSGRK-HNNXBMFYSA-N 1 2 393.890 3.927 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237617490 1042284263 /nfs/dbraw/zinc/28/42/63/1042284263.db2.gz AUZAKWXBCSKTCF-FXAWDEMLSA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237617490 1042284269 /nfs/dbraw/zinc/28/42/69/1042284269.db2.gz AUZAKWXBCSKTCF-FXAWDEMLSA-N 1 2 392.858 3.782 20 10 GHCDLO COc1cc(C[NH+]2CC(Oc3cccc(C(F)(F)F)c3)C2)c(O)c(OC)c1 ZINC001237676929 1042318271 /nfs/dbraw/zinc/31/82/71/1042318271.db2.gz UFTCEFUPPBMCHH-UHFFFAOYSA-N 1 2 383.366 3.691 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)c1O ZINC001237680042 1042321882 /nfs/dbraw/zinc/32/18/82/1042321882.db2.gz OCVHKOANVUOGRY-INIZCTEOSA-N 1 2 398.894 3.661 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)c1O ZINC001237680042 1042321890 /nfs/dbraw/zinc/32/18/90/1042321890.db2.gz OCVHKOANVUOGRY-INIZCTEOSA-N 1 2 398.894 3.661 20 10 GHCDLO Oc1c(I)cccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC001237781030 1042365224 /nfs/dbraw/zinc/36/52/24/1042365224.db2.gz APFBCQMYRCHUPV-UHFFFAOYSA-N 1 2 387.261 3.532 20 10 GHCDLO Oc1c(I)cccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001237781030 1042365229 /nfs/dbraw/zinc/36/52/29/1042365229.db2.gz APFBCQMYRCHUPV-UHFFFAOYSA-N 1 2 387.261 3.532 20 10 GHCDLO Cn1cc(C[N@H+](C)Cc2cc(Br)cc(C(F)(F)F)c2O)cn1 ZINC001237784474 1042367139 /nfs/dbraw/zinc/36/71/39/1042367139.db2.gz TWJQQOLLJIZUAP-UHFFFAOYSA-N 1 2 378.192 3.539 20 10 GHCDLO Cn1cc(C[N@@H+](C)Cc2cc(Br)cc(C(F)(F)F)c2O)cn1 ZINC001237784474 1042367144 /nfs/dbraw/zinc/36/71/44/1042367144.db2.gz TWJQQOLLJIZUAP-UHFFFAOYSA-N 1 2 378.192 3.539 20 10 GHCDLO CC[N@H+](CCC(=O)OC)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237786635 1042369011 /nfs/dbraw/zinc/36/90/11/1042369011.db2.gz OCOBFIAXIZTCRU-UHFFFAOYSA-N 1 2 384.192 3.559 20 10 GHCDLO CC[N@@H+](CCC(=O)OC)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237786635 1042369015 /nfs/dbraw/zinc/36/90/15/1042369015.db2.gz OCOBFIAXIZTCRU-UHFFFAOYSA-N 1 2 384.192 3.559 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237801600 1042377557 /nfs/dbraw/zinc/37/75/57/1042377557.db2.gz WGJNLWBZTMOLPT-WBMJQRKESA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237801600 1042377561 /nfs/dbraw/zinc/37/75/61/1042377561.db2.gz WGJNLWBZTMOLPT-WBMJQRKESA-N 1 2 381.904 3.738 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(OC)c3Br)CC2)cc1 ZINC001237859335 1042398359 /nfs/dbraw/zinc/39/83/59/1042398359.db2.gz YBGHDWCDXGEZCJ-UHFFFAOYSA-N 1 2 391.309 3.789 20 10 GHCDLO CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001462667404 1070457663 /nfs/dbraw/zinc/45/76/63/1070457663.db2.gz NQQCNMDUFOLMTQ-LBPRGKRZSA-N 1 2 391.493 3.912 20 10 GHCDLO CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001462667404 1070457667 /nfs/dbraw/zinc/45/76/67/1070457667.db2.gz NQQCNMDUFOLMTQ-LBPRGKRZSA-N 1 2 391.493 3.912 20 10 GHCDLO Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)o2)cc1 ZINC001257341976 1043968157 /nfs/dbraw/zinc/96/81/57/1043968157.db2.gz OWNBVMGLKBRZAY-PMACEKPBSA-N 1 2 391.471 3.854 20 10 GHCDLO COC(=O)Nc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001308203203 1049911242 /nfs/dbraw/zinc/91/12/42/1049911242.db2.gz SJBHDEKXUYILSZ-UHFFFAOYSA-N 1 2 383.217 3.762 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)c1 ZINC001308967912 1050229862 /nfs/dbraw/zinc/22/98/62/1050229862.db2.gz DOWZGKOWGKCXPY-TXEJJXNPSA-N 1 2 395.263 3.920 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)c1 ZINC001308967912 1050229872 /nfs/dbraw/zinc/22/98/72/1050229872.db2.gz DOWZGKOWGKCXPY-TXEJJXNPSA-N 1 2 395.263 3.920 20 10 GHCDLO CC(C)(C)c1csc(CC2(O)CC[NH+](Cc3cc(F)cc(F)c3O)CC2)n1 ZINC001474665460 1054226539 /nfs/dbraw/zinc/22/65/39/1054226539.db2.gz FHKJERRZWPHVIR-UHFFFAOYSA-N 1 2 396.503 3.994 20 10 GHCDLO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)[C@H](C(N)=O)C1 ZINC001474466029 1074418946 /nfs/dbraw/zinc/41/89/46/1074418946.db2.gz FSSJITIGTNJQFT-KDOFPFPSSA-N 1 2 394.357 3.525 20 10 GHCDLO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)[C@H](C(N)=O)C1 ZINC001474466029 1074418954 /nfs/dbraw/zinc/41/89/54/1074418954.db2.gz FSSJITIGTNJQFT-KDOFPFPSSA-N 1 2 394.357 3.525 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1O ZINC000177045942 835589393 /nfs/dbraw/zinc/58/93/93/835589393.db2.gz CNSLBDMFHKYJDI-UHFFFAOYSA-N 1 2 392.908 3.704 20 10 GHCDLO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)[C@H](C)C1 ZINC000799738119 835663144 /nfs/dbraw/zinc/66/31/44/835663144.db2.gz RADDCKLJYHTKBL-SKDRFNHKSA-N 1 2 393.119 3.917 20 10 GHCDLO CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)[C@H](C)C1 ZINC000799738119 835663149 /nfs/dbraw/zinc/66/31/49/835663149.db2.gz RADDCKLJYHTKBL-SKDRFNHKSA-N 1 2 393.119 3.917 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c1O ZINC000177155560 836084968 /nfs/dbraw/zinc/08/49/68/836084968.db2.gz KSGTWVVEXUYDSV-UHFFFAOYSA-N 1 2 392.927 3.909 20 10 GHCDLO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Br)cc(F)c1O ZINC000363857579 839275572 /nfs/dbraw/zinc/27/55/72/839275572.db2.gz CRMXKJPBSOLWQY-NSHDSACASA-N 1 2 391.244 3.725 20 10 GHCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000471731097 842273267 /nfs/dbraw/zinc/27/32/67/842273267.db2.gz YPLUHDMDCIAZRZ-UHFFFAOYSA-N 1 2 391.450 3.811 20 10 GHCDLO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000271831129 846929936 /nfs/dbraw/zinc/92/99/36/846929936.db2.gz OVNPNUXUBKEWSA-GZMMTYOYSA-N 1 2 379.092 3.574 20 10 GHCDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(Br)c2O)c1C ZINC000161540221 849100253 /nfs/dbraw/zinc/10/02/53/849100253.db2.gz GOICXRMASUVKOY-UHFFFAOYSA-N 1 2 377.282 3.842 20 10 GHCDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(Br)c2O)c1C ZINC000161540221 849100256 /nfs/dbraw/zinc/10/02/56/849100256.db2.gz GOICXRMASUVKOY-UHFFFAOYSA-N 1 2 377.282 3.842 20 10 GHCDLO COc1ccc(C(=O)c2ccccc2Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212366776 857198065 /nfs/dbraw/zinc/19/80/65/857198065.db2.gz ZYSUZSCHIHRFHO-UHFFFAOYSA-N 1 2 389.455 3.901 20 10 GHCDLO CC(C)[C@@H](C[NH2+]Cc1cccc(Br)c1O)NC(=O)OC(C)(C)C ZINC000227121405 858445245 /nfs/dbraw/zinc/44/52/45/858445245.db2.gz OASMZGQJDZWQRL-CQSZACIVSA-N 1 2 387.318 3.794 20 10 GHCDLO CC(C)Cn1cc([C@@H]2[N@H+](Cc3cc(F)cc(F)c3O)CC23CCOCC3)cn1 ZINC000895290067 859038619 /nfs/dbraw/zinc/03/86/19/859038619.db2.gz CHCQWCFXMXSZEQ-FQEVSTJZSA-N 1 2 391.462 3.877 20 10 GHCDLO CC(C)Cn1cc([C@@H]2[N@@H+](Cc3cc(F)cc(F)c3O)CC23CCOCC3)cn1 ZINC000895290067 859038623 /nfs/dbraw/zinc/03/86/23/859038623.db2.gz CHCQWCFXMXSZEQ-FQEVSTJZSA-N 1 2 391.462 3.877 20 10 GHCDLO Nc1nc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH+]c2ccccc12 ZINC000764140057 859227472 /nfs/dbraw/zinc/22/74/72/859227472.db2.gz HDPHUSRTIBCXDB-UHFFFAOYSA-N 1 2 385.418 3.894 20 10 GHCDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000172985447 860197763 /nfs/dbraw/zinc/19/77/63/860197763.db2.gz BHDYRJGSVPQFBV-INIZCTEOSA-N 1 2 388.581 3.731 20 10 GHCDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000172985447 860197768 /nfs/dbraw/zinc/19/77/68/860197768.db2.gz BHDYRJGSVPQFBV-INIZCTEOSA-N 1 2 388.581 3.731 20 10 GHCDLO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000896945818 864116778 /nfs/dbraw/zinc/11/67/78/864116778.db2.gz BNIPEMKRMGPQLJ-AWEZNQCLSA-N 1 2 376.403 3.530 20 10 GHCDLO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000896945818 864116783 /nfs/dbraw/zinc/11/67/83/864116783.db2.gz BNIPEMKRMGPQLJ-AWEZNQCLSA-N 1 2 376.403 3.530 20 10 GHCDLO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)[C@@H](C)O1 ZINC000840963988 867047174 /nfs/dbraw/zinc/04/71/74/867047174.db2.gz PZCYUVBKVXGUHI-BBBLOLIVSA-N 1 2 393.119 3.820 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000745827616 869849138 /nfs/dbraw/zinc/84/91/38/869849138.db2.gz IZYBRGNMQFKFFG-NRFANRHFSA-N 1 2 391.519 3.578 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC001192412885 870383083 /nfs/dbraw/zinc/38/30/83/870383083.db2.gz LRVQXVFLAHHVTB-OAQYLSRUSA-N 1 2 399.922 3.666 20 10 GHCDLO Cc1c(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193559858 871185858 /nfs/dbraw/zinc/18/58/58/871185858.db2.gz PMNBMLCOCOMMKD-NRFANRHFSA-N 1 2 389.499 3.513 20 10 GHCDLO Cc1c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193559858 871185863 /nfs/dbraw/zinc/18/58/63/871185863.db2.gz PMNBMLCOCOMMKD-NRFANRHFSA-N 1 2 389.499 3.513 20 10 GHCDLO CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001194874979 872002856 /nfs/dbraw/zinc/00/28/56/872002856.db2.gz WCJYYHMRYFAUNX-OAHLLOKOSA-N 1 2 378.472 3.911 20 10 GHCDLO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001194874979 872002876 /nfs/dbraw/zinc/00/28/76/872002876.db2.gz WCJYYHMRYFAUNX-OAHLLOKOSA-N 1 2 378.472 3.911 20 10 GHCDLO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775665083 872529584 /nfs/dbraw/zinc/52/95/84/872529584.db2.gz WZNDTVKNZOXVCT-UHFFFAOYSA-N 1 2 394.849 3.601 20 10 GHCDLO O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775665083 872529593 /nfs/dbraw/zinc/52/95/93/872529593.db2.gz WZNDTVKNZOXVCT-UHFFFAOYSA-N 1 2 394.849 3.601 20 10 GHCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)c1 ZINC000182802990 872799220 /nfs/dbraw/zinc/79/92/20/872799220.db2.gz KXENFIYTKAHDMP-CYBMUJFWSA-N 1 2 398.488 3.664 20 10 GHCDLO CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(C)[nH+]cc1C ZINC000767946290 872976867 /nfs/dbraw/zinc/97/68/67/872976867.db2.gz HJHWOQFFFDWRAH-UHFFFAOYSA-N 1 2 378.270 3.642 20 10 GHCDLO CCC1(O)CC[NH+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000775716926 873088973 /nfs/dbraw/zinc/08/89/73/873088973.db2.gz IPICQVOKJYXQTL-UHFFFAOYSA-N 1 2 393.119 3.654 20 10 GHCDLO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000769416270 874033376 /nfs/dbraw/zinc/03/33/76/874033376.db2.gz QSQOLCHXWHMVGR-NXEZZACHSA-N 1 2 391.281 3.858 20 10 GHCDLO COc1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c(OC(F)F)c1 ZINC000770302782 874585404 /nfs/dbraw/zinc/58/54/04/874585404.db2.gz SIYFHFIVYDKNIS-UHFFFAOYSA-N 1 2 396.409 3.767 20 10 GHCDLO CC(C)[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nc(-c2cccnc2)no1 ZINC000858123045 882862455 /nfs/dbraw/zinc/86/24/55/882862455.db2.gz WCWDOYRDGBDFRY-GOSISDBHSA-N 1 2 387.434 3.963 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]Cc1cccc(F)n1 ZINC000776251812 876030776 /nfs/dbraw/zinc/03/07/76/876030776.db2.gz BWYGAEGBXBIJAF-UHFFFAOYSA-N 1 2 390.050 3.741 20 10 GHCDLO C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(N(C)C)cc1 ZINC000789213371 878746190 /nfs/dbraw/zinc/74/61/90/878746190.db2.gz PDPRDUGPVAYZSQ-KRWDZBQOSA-N 1 2 395.551 3.936 20 10 GHCDLO Cc1cc(-c2csc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)n2)c(C)o1 ZINC000789728751 879202858 /nfs/dbraw/zinc/20/28/58/879202858.db2.gz WKGNKRWSZLZHNF-UHFFFAOYSA-N 1 2 391.518 3.882 20 10 GHCDLO CN(C)c1cc(F)c(C[NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1F ZINC001183560967 912629280 /nfs/dbraw/zinc/62/92/80/912629280.db2.gz MBVYWFVRALFXNM-UHFFFAOYSA-N 1 2 395.494 3.864 20 10 GHCDLO CN(C)c1ccc(CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C2CC2)cc1 ZINC000919921871 881189674 /nfs/dbraw/zinc/18/96/74/881189674.db2.gz IGJPZQHQJZLIIP-UHFFFAOYSA-N 1 2 389.503 3.813 20 10 GHCDLO CC[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(Cl)c1O ZINC000806165738 884420636 /nfs/dbraw/zinc/42/06/36/884420636.db2.gz ONADJAMXLRTNNI-BEFAXECRSA-N 1 2 388.895 3.766 20 10 GHCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001142534556 884603413 /nfs/dbraw/zinc/60/34/13/884603413.db2.gz NRZYTTZZCCOLKR-UHFFFAOYSA-N 1 2 388.336 3.891 20 10 GHCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(OC(F)(F)F)c3)C1)OCO2 ZINC000808232958 886161864 /nfs/dbraw/zinc/16/18/64/886161864.db2.gz ZYMMPKAOQCVCIV-SFHVURJKSA-N 1 2 397.349 3.593 20 10 GHCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(OC(F)(F)F)c3)C1)OCO2 ZINC000808232958 886161873 /nfs/dbraw/zinc/16/18/73/886161873.db2.gz ZYMMPKAOQCVCIV-SFHVURJKSA-N 1 2 397.349 3.593 20 10 GHCDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)c1C ZINC000809687743 887708020 /nfs/dbraw/zinc/70/80/20/887708020.db2.gz PVAUSUQGGMLPFB-UHFFFAOYSA-N 1 2 395.862 3.703 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1O ZINC000794772753 888008490 /nfs/dbraw/zinc/00/84/90/888008490.db2.gz QNIVUCZOTJIAFG-UHFFFAOYSA-N 1 2 390.842 3.651 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1O ZINC000794772753 888008498 /nfs/dbraw/zinc/00/84/98/888008498.db2.gz QNIVUCZOTJIAFG-UHFFFAOYSA-N 1 2 390.842 3.651 20 10 GHCDLO COCc1nc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)cs1 ZINC000810253320 888355945 /nfs/dbraw/zinc/35/59/45/888355945.db2.gz QVKKPCPULCNNMG-MRVPVSSYSA-N 1 2 375.263 3.748 20 10 GHCDLO Oc1cccc2c1CN(c1nc(N3Cc4cccc(O)c4C3)c(C3CC3)c[nH+]1)C2 ZINC000866117063 888740449 /nfs/dbraw/zinc/74/04/49/888740449.db2.gz FRCAUOLZOQKIGS-UHFFFAOYSA-N 1 2 386.455 3.806 20 10 GHCDLO C[C@@H]([NH2+]C1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCOCC1)c1ccccc1 ZINC000877047043 893456283 /nfs/dbraw/zinc/45/62/83/893456283.db2.gz SZYGVINWCZEYLE-OAHLLOKOSA-N 1 2 376.447 3.660 20 10 GHCDLO COc1c(O)c(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000774876289 913854688 /nfs/dbraw/zinc/85/46/88/913854688.db2.gz OPHZBTLJZLBWES-UHFFFAOYSA-N 1 2 384.388 3.810 20 10 GHCDLO COc1c(O)c(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000774876289 913854695 /nfs/dbraw/zinc/85/46/95/913854695.db2.gz OPHZBTLJZLBWES-UHFFFAOYSA-N 1 2 384.388 3.810 20 10 GHCDLO Oc1cc(F)c(Cl)cc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000816483726 894852197 /nfs/dbraw/zinc/85/21/97/894852197.db2.gz BZNZNJORSTWACS-UHFFFAOYSA-N 1 2 378.860 3.512 20 10 GHCDLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484590 894853564 /nfs/dbraw/zinc/85/35/64/894853564.db2.gz IFOJNZUJVPWPFX-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484590 894853577 /nfs/dbraw/zinc/85/35/77/894853577.db2.gz IFOJNZUJVPWPFX-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)s1 ZINC000816498612 894878507 /nfs/dbraw/zinc/87/85/07/894878507.db2.gz CFIQXRDASYWQEE-UHFFFAOYSA-N 1 2 382.888 3.949 20 10 GHCDLO COCCOc1ccccc1N1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816516866 894893993 /nfs/dbraw/zinc/89/39/93/894893993.db2.gz UFSFBEWLDROTHT-UHFFFAOYSA-N 1 2 394.874 3.532 20 10 GHCDLO COc1cc2c(cc1Cl)C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000816664871 895009452 /nfs/dbraw/zinc/00/94/52/895009452.db2.gz IUOQOWPSSXQALS-UHFFFAOYSA-N 1 2 390.886 3.883 20 10 GHCDLO COc1cc2c(cc1Cl)C[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000816664871 895009471 /nfs/dbraw/zinc/00/94/71/895009471.db2.gz IUOQOWPSSXQALS-UHFFFAOYSA-N 1 2 390.886 3.883 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCc3cccc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000774887104 913935085 /nfs/dbraw/zinc/93/50/85/913935085.db2.gz YXCLPOXOYZZWGY-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCc3cccc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000774887104 913935092 /nfs/dbraw/zinc/93/50/92/913935092.db2.gz YXCLPOXOYZZWGY-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000883110652 897289580 /nfs/dbraw/zinc/28/95/80/897289580.db2.gz HMAKEIVXSIPHKC-UHFFFAOYSA-N 1 2 386.290 3.509 20 10 GHCDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000824600696 899713234 /nfs/dbraw/zinc/71/32/34/899713234.db2.gz BJDOYEQLIOVERC-UHFFFAOYSA-N 1 2 395.322 3.564 20 10 GHCDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000824600696 899713237 /nfs/dbraw/zinc/71/32/37/899713237.db2.gz BJDOYEQLIOVERC-UHFFFAOYSA-N 1 2 395.322 3.564 20 10 GHCDLO COC[C@]1(C)CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000824583692 899724121 /nfs/dbraw/zinc/72/41/21/899724121.db2.gz OUIQZBXDHKKKDI-CQSZACIVSA-N 1 2 393.119 3.776 20 10 GHCDLO COC[C@]1(C)CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000824583692 899724131 /nfs/dbraw/zinc/72/41/31/899724131.db2.gz OUIQZBXDHKKKDI-CQSZACIVSA-N 1 2 393.119 3.776 20 10 GHCDLO Cc1cccc(O[C@H]2CC[N@H+](Cc3cc(Br)c(F)cc3O)C2)n1 ZINC001144308848 901706195 /nfs/dbraw/zinc/70/61/95/901706195.db2.gz ZTDAPSZFOQHDGH-ZDUSSCGKSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3cc(Br)c(F)cc3O)C2)n1 ZINC001144308848 901706200 /nfs/dbraw/zinc/70/62/00/901706200.db2.gz ZTDAPSZFOQHDGH-ZDUSSCGKSA-N 1 2 381.245 3.651 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)c(F)cc1O ZINC000846216579 902793318 /nfs/dbraw/zinc/79/33/18/902793318.db2.gz SJBCVVVWRVNFOM-BONVTDFDSA-N 1 2 395.272 3.721 20 10 GHCDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)c3ccc(N(C)C)cc3)cn2c1 ZINC000773001562 904357085 /nfs/dbraw/zinc/35/70/85/904357085.db2.gz UYZHOKCVNVISJJ-MRXNPFEDSA-N 1 2 382.533 3.819 20 10 GHCDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000801559474 921132694 /nfs/dbraw/zinc/13/26/94/921132694.db2.gz AGIDLMQHAXSUFU-UHFFFAOYSA-N 1 2 394.924 3.756 20 10 GHCDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000801559474 921132703 /nfs/dbraw/zinc/13/27/03/921132703.db2.gz AGIDLMQHAXSUFU-UHFFFAOYSA-N 1 2 394.924 3.756 20 10 GHCDLO CNC(=O)CC1CC[NH+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000175034861 905427132 /nfs/dbraw/zinc/42/71/32/905427132.db2.gz NBFZWMVJRJPGDN-OCEACIFDSA-N 1 2 393.491 3.889 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCN(C)c2cccc[nH+]2)c1 ZINC001175716162 907700814 /nfs/dbraw/zinc/70/08/14/907700814.db2.gz NANYTDBYYYKHIO-UHFFFAOYSA-N 1 2 390.487 3.558 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000195739179 909039762 /nfs/dbraw/zinc/03/97/62/909039762.db2.gz HOLFEGJYBNXGKY-QFIPXVFZSA-N 1 2 397.588 3.939 20 10 GHCDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000266697022 909264407 /nfs/dbraw/zinc/26/44/07/909264407.db2.gz BSNHQXHOTWARDN-WMZOPIPTSA-N 1 2 389.496 3.690 20 10 GHCDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000266697022 909264420 /nfs/dbraw/zinc/26/44/20/909264420.db2.gz BSNHQXHOTWARDN-WMZOPIPTSA-N 1 2 389.496 3.690 20 10 GHCDLO Cc1cc(C(=O)NCc2coc(C[NH+](C)C)n2)c(C)n1-c1cc(C)cc(C)c1 ZINC001179128526 909392793 /nfs/dbraw/zinc/39/27/93/909392793.db2.gz XWSDEFWOILQMNB-UHFFFAOYSA-N 1 2 380.492 3.691 20 10 GHCDLO COC1(CO)CC[NH+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000773934460 910868697 /nfs/dbraw/zinc/86/86/97/910868697.db2.gz JPHIGQJDNBLNRU-UHFFFAOYSA-N 1 2 382.464 3.514 20 10 GHCDLO CC(C)COC(=O)N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000775145757 915548468 /nfs/dbraw/zinc/54/84/68/915548468.db2.gz KAEVKLWISHZLNK-UHFFFAOYSA-N 1 2 385.302 3.501 20 10 GHCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363418106 918234837 /nfs/dbraw/zinc/23/48/37/918234837.db2.gz DVZJUEKSAPNVBE-UHFFFAOYSA-N 1 2 395.551 3.737 20 10 GHCDLO Cc1ccc(O)c(CNc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c[nH+]2)c1 ZINC000798272141 932586543 /nfs/dbraw/zinc/58/65/43/932586543.db2.gz DBVUNMWKLJDOLD-UHFFFAOYSA-N 1 2 398.507 3.765 20 10 GHCDLO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(Br)c(F)cc1O ZINC000799730387 933101201 /nfs/dbraw/zinc/10/12/01/933101201.db2.gz FBBMMGMQUUQUKC-TZMCWYRMSA-N 1 2 382.273 3.938 20 10 GHCDLO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(Br)cc(F)c1O ZINC000799731473 933101602 /nfs/dbraw/zinc/10/16/02/933101602.db2.gz OBOCNFKKTNKBAT-DOMZBBRYSA-N 1 2 382.273 3.938 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001137836085 935815190 /nfs/dbraw/zinc/81/51/90/935815190.db2.gz VEGXJKWJKCWIQZ-VGOFRKELSA-N 1 2 386.467 3.514 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001137836085 935815192 /nfs/dbraw/zinc/81/51/92/935815192.db2.gz VEGXJKWJKCWIQZ-VGOFRKELSA-N 1 2 386.467 3.514 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1Cc2c(cnn2CC2CC2)[C@H](COCC2CC2)C1 ZINC001137835781 935815388 /nfs/dbraw/zinc/81/53/88/935815388.db2.gz NMDRSORSTUGNGS-KRWDZBQOSA-N 1 2 385.483 3.664 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1Cc2c(cnn2CC2CC2)[C@H](COCC2CC2)C1 ZINC001137835781 935815391 /nfs/dbraw/zinc/81/53/91/935815391.db2.gz NMDRSORSTUGNGS-KRWDZBQOSA-N 1 2 385.483 3.664 20 10 GHCDLO CN(c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1)C1CCCCC1 ZINC001625905162 1014357670 /nfs/dbraw/zinc/35/76/70/1014357670.db2.gz KJIDXUJJHFIIQO-QHCPKHFHSA-N 1 2 399.579 3.715 20 10 GHCDLO CN(c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1)C1CCCCC1 ZINC001625905162 1014357678 /nfs/dbraw/zinc/35/76/78/1014357678.db2.gz KJIDXUJJHFIIQO-QHCPKHFHSA-N 1 2 399.579 3.715 20 10 GHCDLO COc1cccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1O ZINC000374334316 1015070507 /nfs/dbraw/zinc/07/05/07/1015070507.db2.gz WYGHUIZCXPWWQT-UHFFFAOYSA-N 1 2 390.443 3.638 20 10 GHCDLO C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cc(C(=O)[O-])ccc1O ZINC001593210190 994244029 /nfs/dbraw/zinc/24/40/29/994244029.db2.gz NIOVNIMUCWODJR-IRXDYDNUSA-N 1 2 398.503 3.641 20 10 GHCDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC001204533095 1032955181 /nfs/dbraw/zinc/95/51/81/1032955181.db2.gz AWTJPLGFQPAOQK-UHFFFAOYSA-N 1 2 384.274 3.943 20 10 GHCDLO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC001204533095 1032955182 /nfs/dbraw/zinc/95/51/82/1032955182.db2.gz AWTJPLGFQPAOQK-UHFFFAOYSA-N 1 2 384.274 3.943 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(Br)cc3N)CC2)c(C)c1 ZINC001140224701 1021188793 /nfs/dbraw/zinc/18/87/93/1021188793.db2.gz CANLZEFNDQQAHT-UHFFFAOYSA-N 1 2 390.325 3.671 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1c(O)cccc1Cl)C[C@H]2COc1cccnc1 ZINC001140339462 1021447168 /nfs/dbraw/zinc/44/71/68/1021447168.db2.gz VGOKZNQVNFLQFN-HNNXBMFYSA-N 1 2 398.894 3.835 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1c(O)cccc1Cl)C[C@H]2COc1cccnc1 ZINC001140339462 1021447171 /nfs/dbraw/zinc/44/71/71/1021447171.db2.gz VGOKZNQVNFLQFN-HNNXBMFYSA-N 1 2 398.894 3.835 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1cc(Br)c(F)cc1O ZINC000834910922 1021674580 /nfs/dbraw/zinc/67/45/80/1021674580.db2.gz GODCTAIHSNTGNR-LYOVBCGYSA-N 1 2 398.276 3.598 20 10 GHCDLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccc(Cl)cc2O)cs1 ZINC001140465532 1021760072 /nfs/dbraw/zinc/76/00/72/1021760072.db2.gz PJHPCBAYKPVLTM-QXAKKESOSA-N 1 2 394.924 3.759 20 10 GHCDLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccc(Cl)cc2O)cs1 ZINC001140465532 1021760090 /nfs/dbraw/zinc/76/00/90/1021760090.db2.gz PJHPCBAYKPVLTM-QXAKKESOSA-N 1 2 394.924 3.759 20 10 GHCDLO CSc1nnc(CCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n1CC(C)C ZINC000756576986 1023718747 /nfs/dbraw/zinc/71/87/47/1023718747.db2.gz WYGONNGXDBIWIC-LBPRGKRZSA-N 1 2 384.496 3.923 20 10 GHCDLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Br)c(F)cc1O ZINC000756712490 1023784099 /nfs/dbraw/zinc/78/40/99/1023784099.db2.gz QXGOKTXSLOLPLB-XLKFXECMSA-N 1 2 390.199 3.956 20 10 GHCDLO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(F)c1O ZINC000756775303 1023810499 /nfs/dbraw/zinc/81/04/99/1023810499.db2.gz OTXNBYDOTXNBBF-QMTHXVAHSA-N 1 2 386.236 3.687 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccnc3NC(=O)C(C)(C)C)CC2)c(C)c1 ZINC001138545519 1024990943 /nfs/dbraw/zinc/99/09/43/1024990943.db2.gz PGSGRELYMHSCTO-UHFFFAOYSA-N 1 2 396.535 3.705 20 10 GHCDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)n1 ZINC000839040294 1025537189 /nfs/dbraw/zinc/53/71/89/1025537189.db2.gz MCJKIJLFVGFQJT-GFCCVEGCSA-N 1 2 379.302 3.982 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001139132698 1025944261 /nfs/dbraw/zinc/94/42/61/1025944261.db2.gz ZIFNWKNRGTZPOZ-QFIPXVFZSA-N 1 2 383.419 3.694 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001139132698 1025944266 /nfs/dbraw/zinc/94/42/66/1025944266.db2.gz ZIFNWKNRGTZPOZ-QFIPXVFZSA-N 1 2 383.419 3.694 20 10 GHCDLO Oc1cccc(Br)c1C[NH+]1CCN(Cc2ccccc2F)CC1 ZINC001140100998 1026879075 /nfs/dbraw/zinc/87/90/75/1026879075.db2.gz IJARNLODDVTJOZ-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO C[N@H+](Cc1cncc(Br)c1)Cc1c(O)cccc1Br ZINC001140100538 1026879478 /nfs/dbraw/zinc/87/94/78/1026879478.db2.gz STHDSAKIVKSXCH-UHFFFAOYSA-N 1 2 386.087 3.944 20 10 GHCDLO C[N@@H+](Cc1cncc(Br)c1)Cc1c(O)cccc1Br ZINC001140100538 1026879489 /nfs/dbraw/zinc/87/94/89/1026879489.db2.gz STHDSAKIVKSXCH-UHFFFAOYSA-N 1 2 386.087 3.944 20 10 GHCDLO Oc1cccc(Br)c1CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001140102234 1026882697 /nfs/dbraw/zinc/88/26/97/1026882697.db2.gz MRLUVNDFONJFLQ-INIZCTEOSA-N 1 2 389.284 3.850 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@]1(C)O ZINC001203565311 1027436308 /nfs/dbraw/zinc/43/63/08/1027436308.db2.gz ZXZXHGKYURLWEB-LKFCYVNXSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@]1(C)O ZINC001203565311 1027436297 /nfs/dbraw/zinc/43/62/97/1027436297.db2.gz ZXZXHGKYURLWEB-LKFCYVNXSA-N 1 2 393.119 3.510 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203884001 1027678615 /nfs/dbraw/zinc/67/86/15/1027678615.db2.gz PBJLTJHYBKQRKC-SFHVURJKSA-N 1 2 384.476 3.549 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(O)c(O)c1 ZINC001203884001 1027678627 /nfs/dbraw/zinc/67/86/27/1027678627.db2.gz PBJLTJHYBKQRKC-SFHVURJKSA-N 1 2 384.476 3.549 20 10 GHCDLO OC[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)C[C@H]1c1ccc(F)cc1 ZINC001461436959 1069549891 /nfs/dbraw/zinc/54/98/91/1069549891.db2.gz SDLLIZVXKZCDSP-YJBOKZPZSA-N 1 2 398.247 3.689 20 10 GHCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC001142513088 1029016993 /nfs/dbraw/zinc/01/69/93/1029016993.db2.gz XCSYNECSFROMPQ-UHFFFAOYSA-N 1 2 383.236 3.755 20 10 GHCDLO O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001142728464 1029352869 /nfs/dbraw/zinc/35/28/69/1029352869.db2.gz UODJDLVGVYRCJT-FQEVSTJZSA-N 1 2 393.462 3.750 20 10 GHCDLO O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001142728464 1029352883 /nfs/dbraw/zinc/35/28/83/1029352883.db2.gz UODJDLVGVYRCJT-FQEVSTJZSA-N 1 2 393.462 3.750 20 10 GHCDLO Oc1ccc(-c2nc(-c3cccc(F)c3Cl)no2)cc1C[NH+]1CCOCC1 ZINC001217054394 1030125643 /nfs/dbraw/zinc/12/56/43/1030125643.db2.gz DQCNAEKWBJNLAD-UHFFFAOYSA-N 1 2 389.814 3.734 20 10 GHCDLO Cc1cc(Cl)cc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1 ZINC001217055863 1030127427 /nfs/dbraw/zinc/12/74/27/1030127427.db2.gz BROFCGKMDPIYRM-UHFFFAOYSA-N 1 2 385.851 3.903 20 10 GHCDLO Cc1c(F)ccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1F ZINC001217056882 1030130641 /nfs/dbraw/zinc/13/06/41/1030130641.db2.gz VEWJGFUFHWLYGZ-UHFFFAOYSA-N 1 2 387.386 3.528 20 10 GHCDLO N#[N+][N-]S(=O)(=O)c1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1 ZINC001217093464 1030155063 /nfs/dbraw/zinc/15/50/63/1030155063.db2.gz GQBQQUOCTSOWSK-UHFFFAOYSA-N 1 2 393.388 3.588 20 10 GHCDLO COC(C)(C)CC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461697335 1069685089 /nfs/dbraw/zinc/68/50/89/1069685089.db2.gz OIUCTMGFJVBZSY-UHFFFAOYSA-N 1 2 381.108 3.822 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)cc(F)c2O)N1CCC(F)(F)F ZINC001277386828 1033477453 /nfs/dbraw/zinc/47/74/53/1033477453.db2.gz CIVVADFROMEANB-ZIAGYGMSSA-N 1 2 394.796 3.702 20 10 GHCDLO O=C1N(CC(F)F)CC[C@]12CCC[N@@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277387646 1033484039 /nfs/dbraw/zinc/48/40/39/1033484039.db2.gz NIXBBFDWYMIOTR-GOSISDBHSA-N 1 2 390.833 3.654 20 10 GHCDLO O=C1N(CC(F)F)CC[C@]12CCC[N@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277387646 1033484047 /nfs/dbraw/zinc/48/40/47/1033484047.db2.gz NIXBBFDWYMIOTR-GOSISDBHSA-N 1 2 390.833 3.654 20 10 GHCDLO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4cccc(Cl)c4O)C3)CC2=O)cc1 ZINC001231909471 1034984605 /nfs/dbraw/zinc/98/46/05/1034984605.db2.gz FHGLVYJKFDQEPW-NRFANRHFSA-N 1 2 386.879 3.683 20 10 GHCDLO COc1ccc(N2C[C@@]3(CC[N@@H+](Cc4cccc(Cl)c4O)C3)CC2=O)cc1 ZINC001231909471 1034984607 /nfs/dbraw/zinc/98/46/07/1034984607.db2.gz FHGLVYJKFDQEPW-NRFANRHFSA-N 1 2 386.879 3.683 20 10 GHCDLO COCCC[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231913205 1034987958 /nfs/dbraw/zinc/98/79/58/1034987958.db2.gz IBIGYJXIFYMDGF-INIZCTEOSA-N 1 2 398.931 3.894 20 10 GHCDLO COCCC[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231913205 1034987965 /nfs/dbraw/zinc/98/79/65/1034987965.db2.gz IBIGYJXIFYMDGF-INIZCTEOSA-N 1 2 398.931 3.894 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(Cl)c3OC)CC2)c(C)c1 ZINC001248800400 1036169880 /nfs/dbraw/zinc/16/98/80/1036169880.db2.gz SAQBULJVCGVUPH-UHFFFAOYSA-N 1 2 390.911 3.996 20 10 GHCDLO CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001232257920 1037979501 /nfs/dbraw/zinc/97/95/01/1037979501.db2.gz MMAGWRJCNMQLKQ-HNNXBMFYSA-N 1 2 384.904 3.829 20 10 GHCDLO CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001232257920 1037979511 /nfs/dbraw/zinc/97/95/11/1037979511.db2.gz MMAGWRJCNMQLKQ-HNNXBMFYSA-N 1 2 384.904 3.829 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3cc(OCc4ccccc4)no3)CC2)cc1 ZINC001232451493 1038235353 /nfs/dbraw/zinc/23/53/53/1038235353.db2.gz TWTJNDQVECUXMM-UHFFFAOYSA-N 1 2 393.487 3.975 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)cc(Br)cc1F ZINC001233030441 1038781968 /nfs/dbraw/zinc/78/19/68/1038781968.db2.gz TWYCBJMVDJOUFQ-GFCCVEGCSA-N 1 2 388.277 3.990 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1c(O)cc(Br)cc1F ZINC001233030441 1038781984 /nfs/dbraw/zinc/78/19/84/1038781984.db2.gz TWYCBJMVDJOUFQ-GFCCVEGCSA-N 1 2 388.277 3.990 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CC12CC2 ZINC001233416129 1039272536 /nfs/dbraw/zinc/27/25/36/1039272536.db2.gz WXSOOMSPVWXCJN-CQSZACIVSA-N 1 2 386.414 3.900 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC12CC2 ZINC001233416129 1039272548 /nfs/dbraw/zinc/27/25/48/1039272548.db2.gz WXSOOMSPVWXCJN-CQSZACIVSA-N 1 2 386.414 3.900 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC12CC2 ZINC001233418662 1039279506 /nfs/dbraw/zinc/27/95/06/1039279506.db2.gz QAVITCVPFOJDKR-UHFFFAOYSA-N 1 2 386.414 3.996 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC12CC2 ZINC001233418662 1039279513 /nfs/dbraw/zinc/27/95/13/1039279513.db2.gz QAVITCVPFOJDKR-UHFFFAOYSA-N 1 2 386.414 3.996 20 10 GHCDLO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001233453203 1039341512 /nfs/dbraw/zinc/34/15/12/1039341512.db2.gz YSRCOAOMBMPDPN-UHFFFAOYSA-N 1 2 381.398 3.550 20 10 GHCDLO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001233453203 1039341532 /nfs/dbraw/zinc/34/15/32/1039341532.db2.gz YSRCOAOMBMPDPN-UHFFFAOYSA-N 1 2 381.398 3.550 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001235066139 1040554608 /nfs/dbraw/zinc/55/46/08/1040554608.db2.gz WPNGKLAAWKYRJG-UHFFFAOYSA-N 1 2 398.247 3.917 20 10 GHCDLO COc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300871 1040772076 /nfs/dbraw/zinc/77/20/76/1040772076.db2.gz CAXZXAYIXDBRMT-CQSZACIVSA-N 1 2 396.256 3.956 20 10 GHCDLO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300871 1040772090 /nfs/dbraw/zinc/77/20/90/1040772090.db2.gz CAXZXAYIXDBRMT-CQSZACIVSA-N 1 2 396.256 3.956 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1)OCc1ccccc1 ZINC001462515692 1070319109 /nfs/dbraw/zinc/31/91/09/1070319109.db2.gz NMCBKTRUFKULEC-UHFFFAOYSA-N 1 2 376.403 3.561 20 10 GHCDLO Cc1cncc(Br)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001235647630 1041089647 /nfs/dbraw/zinc/08/96/47/1041089647.db2.gz RGDOTJNSJOONJT-UHFFFAOYSA-N 1 2 390.325 3.621 20 10 GHCDLO Cc1cncc(Br)c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001235647630 1041089667 /nfs/dbraw/zinc/08/96/67/1041089667.db2.gz RGDOTJNSJOONJT-UHFFFAOYSA-N 1 2 390.325 3.621 20 10 GHCDLO COc1cc(C)c(C[N@@H+]2CCN[C@@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235797528 1041297746 /nfs/dbraw/zinc/29/77/46/1041297746.db2.gz VXEQHOYPLRRFNP-GOSISDBHSA-N 1 2 391.309 3.618 20 10 GHCDLO COc1cc(C)c(C[N@H+]2CCN[C@@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235797528 1041297756 /nfs/dbraw/zinc/29/77/56/1041297756.db2.gz VXEQHOYPLRRFNP-GOSISDBHSA-N 1 2 391.309 3.618 20 10 GHCDLO [O-]c1c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc(Br)cc1C(F)(F)F ZINC001236240879 1041640317 /nfs/dbraw/zinc/64/03/17/1041640317.db2.gz MYQGZBKESBSNGP-CYBMUJFWSA-N 1 2 393.247 3.890 20 10 GHCDLO [O-]c1c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc(Br)cc1C(F)(F)F ZINC001236240879 1041640319 /nfs/dbraw/zinc/64/03/19/1041640319.db2.gz MYQGZBKESBSNGP-CYBMUJFWSA-N 1 2 393.247 3.890 20 10 GHCDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993106 1041801838 /nfs/dbraw/zinc/80/18/38/1041801838.db2.gz SMIWBQKSUGJRDE-BUXKBTBVSA-N 1 2 399.318 3.634 20 10 GHCDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993106 1041801840 /nfs/dbraw/zinc/80/18/40/1041801840.db2.gz SMIWBQKSUGJRDE-BUXKBTBVSA-N 1 2 399.318 3.634 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+](C)CC(=O)OCc2ccccc2)c1 ZINC001236668497 1041816025 /nfs/dbraw/zinc/81/60/25/1041816025.db2.gz BPLPJPJXDBZIGE-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)CC(=O)OCc2ccccc2)c1 ZINC001236668497 1041816030 /nfs/dbraw/zinc/81/60/30/1041816030.db2.gz BPLPJPJXDBZIGE-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(C)cc(Br)c1O ZINC001236668942 1041816208 /nfs/dbraw/zinc/81/62/08/1041816208.db2.gz KCNDYJUJMXTRMA-NOLJZWGESA-N 1 2 382.298 3.627 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001236794696 1041899103 /nfs/dbraw/zinc/89/91/03/1041899103.db2.gz UGDAGUQUYHGRQL-OLZOCXBDSA-N 1 2 376.177 3.926 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001236794696 1041899109 /nfs/dbraw/zinc/89/91/09/1041899109.db2.gz UGDAGUQUYHGRQL-OLZOCXBDSA-N 1 2 376.177 3.926 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001236794701 1041899412 /nfs/dbraw/zinc/89/94/12/1041899412.db2.gz UGDAGUQUYHGRQL-QWHCGFSZSA-N 1 2 376.177 3.926 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001236794701 1041899419 /nfs/dbraw/zinc/89/94/19/1041899419.db2.gz UGDAGUQUYHGRQL-QWHCGFSZSA-N 1 2 376.177 3.926 20 10 GHCDLO COc1ccc(C[N@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)c(O)c1Cl ZINC001236805949 1041907168 /nfs/dbraw/zinc/90/71/68/1041907168.db2.gz HSAVQGSATGUGQP-CQSZACIVSA-N 1 2 377.868 3.843 20 10 GHCDLO COc1ccc(C[N@@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)c(O)c1Cl ZINC001236805949 1041907173 /nfs/dbraw/zinc/90/71/73/1041907173.db2.gz HSAVQGSATGUGQP-CQSZACIVSA-N 1 2 377.868 3.843 20 10 GHCDLO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001237059454 1042015322 /nfs/dbraw/zinc/01/53/22/1042015322.db2.gz NZJPWDBXLPXRDT-GOSISDBHSA-N 1 2 397.393 3.613 20 10 GHCDLO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001237059454 1042015325 /nfs/dbraw/zinc/01/53/25/1042015325.db2.gz NZJPWDBXLPXRDT-GOSISDBHSA-N 1 2 397.393 3.613 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC001237122684 1042050993 /nfs/dbraw/zinc/05/09/93/1042050993.db2.gz KNADJOGPLTUENO-UHFFFAOYSA-N 1 2 388.336 3.891 20 10 GHCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237123894 1042051645 /nfs/dbraw/zinc/05/16/45/1042051645.db2.gz UTBWTVFPURPNBR-UHFFFAOYSA-N 1 2 381.350 3.636 20 10 GHCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237123894 1042051649 /nfs/dbraw/zinc/05/16/49/1042051649.db2.gz UTBWTVFPURPNBR-UHFFFAOYSA-N 1 2 381.350 3.636 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237128497 1042055220 /nfs/dbraw/zinc/05/52/20/1042055220.db2.gz PUIBCUOEVYLLQY-GFCCVEGCSA-N 1 2 392.833 3.944 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237128497 1042055225 /nfs/dbraw/zinc/05/52/25/1042055225.db2.gz PUIBCUOEVYLLQY-GFCCVEGCSA-N 1 2 392.833 3.944 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)Cc2c1cnn2CC ZINC001237136097 1042058520 /nfs/dbraw/zinc/05/85/20/1042058520.db2.gz OYUMWKOXFCTSJM-CQSZACIVSA-N 1 2 383.414 3.763 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)Cc2c1cnn2CC ZINC001237136097 1042058521 /nfs/dbraw/zinc/05/85/21/1042058521.db2.gz OYUMWKOXFCTSJM-CQSZACIVSA-N 1 2 383.414 3.763 20 10 GHCDLO COC(=O)c1ccc(Br)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001237540369 1042256573 /nfs/dbraw/zinc/25/65/73/1042256573.db2.gz QNNMGBBORBOEHT-UHFFFAOYSA-N 1 2 391.309 3.934 20 10 GHCDLO COC(=O)c1ccc(Br)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001237540369 1042256579 /nfs/dbraw/zinc/25/65/79/1042256579.db2.gz QNNMGBBORBOEHT-UHFFFAOYSA-N 1 2 391.309 3.934 20 10 GHCDLO O=C1NC[C@@H](c2ccccc2)C12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237620557 1042287633 /nfs/dbraw/zinc/28/76/33/1042287633.db2.gz VIMKJWAQUCJJOC-KRWDZBQOSA-N 1 2 388.870 3.681 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)c1cccc(F)c1 ZINC001237623502 1042289815 /nfs/dbraw/zinc/28/98/15/1042289815.db2.gz OOCPKNYVIVXKGZ-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1c1ccc(F)cc1 ZINC001237623512 1042290153 /nfs/dbraw/zinc/29/01/53/1042290153.db2.gz PDBPQIOERPFZDC-CVEARBPZSA-N 1 2 381.806 3.712 20 10 GHCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1c1ccc(F)cc1 ZINC001237623512 1042290161 /nfs/dbraw/zinc/29/01/61/1042290161.db2.gz PDBPQIOERPFZDC-CVEARBPZSA-N 1 2 381.806 3.712 20 10 GHCDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(I)c1O ZINC001237783276 1042366306 /nfs/dbraw/zinc/36/63/06/1042366306.db2.gz JLIKOAAORHWNHY-LBPRGKRZSA-N 1 2 379.241 3.944 20 10 GHCDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(I)c1O ZINC001237783276 1042366310 /nfs/dbraw/zinc/36/63/10/1042366310.db2.gz JLIKOAAORHWNHY-LBPRGKRZSA-N 1 2 379.241 3.944 20 10 GHCDLO Oc1c(C[N@@H+]2CC[C@@]3(CCCO3)C2)cc(Br)cc1C(F)(F)F ZINC001237784551 1042367372 /nfs/dbraw/zinc/36/73/72/1042367372.db2.gz WLYARWROXJGAHM-AWEZNQCLSA-N 1 2 380.204 3.928 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@@]3(CCCO3)C2)cc(Br)cc1C(F)(F)F ZINC001237784551 1042367376 /nfs/dbraw/zinc/36/73/76/1042367376.db2.gz WLYARWROXJGAHM-AWEZNQCLSA-N 1 2 380.204 3.928 20 10 GHCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@]1(C)O ZINC001237784919 1042368279 /nfs/dbraw/zinc/36/82/79/1042368279.db2.gz ZIRDZYOHGKHYJH-XPTSAGLGSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@]1(C)O ZINC001237784919 1042368282 /nfs/dbraw/zinc/36/82/82/1042368282.db2.gz ZIRDZYOHGKHYJH-XPTSAGLGSA-N 1 2 382.220 3.766 20 10 GHCDLO C[N@H+](Cc1ccncn1)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237787507 1042369065 /nfs/dbraw/zinc/36/90/65/1042369065.db2.gz UFZUVOZJARZYHN-UHFFFAOYSA-N 1 2 376.176 3.596 20 10 GHCDLO C[N@@H+](Cc1ccncn1)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237787507 1042369068 /nfs/dbraw/zinc/36/90/68/1042369068.db2.gz UFZUVOZJARZYHN-UHFFFAOYSA-N 1 2 376.176 3.596 20 10 GHCDLO Oc1c(Cl)cc(F)cc1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001237800202 1042376466 /nfs/dbraw/zinc/37/64/66/1042376466.db2.gz MFLDSKXIGNEBRY-AEFFLSMTSA-N 1 2 394.849 3.661 20 10 GHCDLO Oc1c(Cl)cc(F)cc1CN1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001237800202 1042376473 /nfs/dbraw/zinc/37/64/73/1042376473.db2.gz MFLDSKXIGNEBRY-AEFFLSMTSA-N 1 2 394.849 3.661 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001237800221 1042376506 /nfs/dbraw/zinc/37/65/06/1042376506.db2.gz MZDFHBIKBAZTDU-CQSZACIVSA-N 1 2 377.847 3.513 20 10 GHCDLO O=C1N(c2cccc(F)c2)CC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237815073 1042382854 /nfs/dbraw/zinc/38/28/54/1042382854.db2.gz VIVDWYLQYFDJGG-UHFFFAOYSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237939931 1042430092 /nfs/dbraw/zinc/43/00/92/1042430092.db2.gz HZPNHCWBIRLZIE-AWEZNQCLSA-N 1 2 375.831 3.807 20 10 GHCDLO O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237939931 1042430095 /nfs/dbraw/zinc/43/00/95/1042430095.db2.gz HZPNHCWBIRLZIE-AWEZNQCLSA-N 1 2 375.831 3.807 20 10 GHCDLO COc1cc(Br)c2cc(C[N@@H+]3CCc4cccc(O)c4C3)[nH]c2n1 ZINC001237942683 1042432291 /nfs/dbraw/zinc/43/22/91/1042432291.db2.gz XVBCQPSPOFYHNX-UHFFFAOYSA-N 1 2 388.265 3.598 20 10 GHCDLO COc1cc(Br)c2cc(C[N@H+]3CCc4cccc(O)c4C3)[nH]c2n1 ZINC001237942683 1042432292 /nfs/dbraw/zinc/43/22/92/1042432292.db2.gz XVBCQPSPOFYHNX-UHFFFAOYSA-N 1 2 388.265 3.598 20 10 GHCDLO CN(C)c1ccc(C[N@H+](C)Cc2cc(O)ccc2I)cc1 ZINC001237963538 1042438594 /nfs/dbraw/zinc/43/85/94/1042438594.db2.gz CWVZQXQAVIZJRA-UHFFFAOYSA-N 1 2 396.272 3.695 20 10 GHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2cc(O)ccc2I)cc1 ZINC001237963538 1042438595 /nfs/dbraw/zinc/43/85/95/1042438595.db2.gz CWVZQXQAVIZJRA-UHFFFAOYSA-N 1 2 396.272 3.695 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(F)c3OC(C)C)CC2)c(OC)c1 ZINC001238322492 1042557184 /nfs/dbraw/zinc/55/71/84/1042557184.db2.gz LQWSDZIEMHEBLA-UHFFFAOYSA-N 1 2 388.483 3.952 20 10 GHCDLO O=S(=O)(NC[C@H]1CC[NH2+]CC1(F)F)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238501884 1042621719 /nfs/dbraw/zinc/62/17/19/1042621719.db2.gz XMRFVYPXFMMXFO-ADPQETAKSA-N 1 2 394.447 3.625 20 10 GHCDLO O=C(Cc1ccsc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1O ZINC001279442694 1047809505 /nfs/dbraw/zinc/80/95/05/1047809505.db2.gz STAWSOLFEXJTNW-ALOPSCKCSA-N 1 2 390.936 3.961 20 10 GHCDLO O=C(Cc1ccsc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1O ZINC001279442694 1047809512 /nfs/dbraw/zinc/80/95/12/1047809512.db2.gz STAWSOLFEXJTNW-ALOPSCKCSA-N 1 2 390.936 3.961 20 10 GHCDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(C(F)(F)F)ccc1O ZINC001279686230 1047914761 /nfs/dbraw/zinc/91/47/61/1047914761.db2.gz QEHFCRTVFDQJFW-GASCZTMLSA-N 1 2 383.439 3.635 20 10 GHCDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(C(F)(F)F)ccc1O ZINC001279686230 1047914765 /nfs/dbraw/zinc/91/47/65/1047914765.db2.gz QEHFCRTVFDQJFW-GASCZTMLSA-N 1 2 383.439 3.635 20 10 GHCDLO COc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1[N+](=O)[O-] ZINC001308251974 1049926712 /nfs/dbraw/zinc/92/67/12/1049926712.db2.gz DOUVVPIYCZTAPO-UHFFFAOYSA-N 1 2 385.189 3.500 20 10 GHCDLO CC(C)([NH2+]Cc1c(O)cccc1Br)c1cn(-c2ccccc2)nn1 ZINC001308308575 1049945024 /nfs/dbraw/zinc/94/50/24/1049945024.db2.gz YIDMHTZQEGFANC-UHFFFAOYSA-N 1 2 387.281 3.760 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC001308330508 1049950403 /nfs/dbraw/zinc/95/04/03/1049950403.db2.gz HXRIMDIFOGEMAX-UHFFFAOYSA-N 1 2 396.256 3.787 20 10 GHCDLO Cc1cccc(NC(=O)N2CC[NH+](C/C=C\c3ccc(N(C)C)cc3)CC2)c1 ZINC001308600112 1050026833 /nfs/dbraw/zinc/02/68/33/1050026833.db2.gz RFMMUBYBFLDHHA-ALCCZGGFSA-N 1 2 378.520 3.924 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCNC(=O)[C@H]2CC2CCCCC2)c1 ZINC001308823897 1050108983 /nfs/dbraw/zinc/10/89/83/1050108983.db2.gz AJMLMWYZUSNFAG-QGZVFWFLSA-N 1 2 395.341 3.734 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)c1 ZINC001308823897 1050108985 /nfs/dbraw/zinc/10/89/85/1050108985.db2.gz AJMLMWYZUSNFAG-QGZVFWFLSA-N 1 2 395.341 3.734 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001312886370 1052903117 /nfs/dbraw/zinc/90/31/17/1052903117.db2.gz VWVOTEMJCBWLDV-GOSISDBHSA-N 1 2 395.551 3.673 20 10 GHCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC001200580027 1056383966 /nfs/dbraw/zinc/38/39/66/1056383966.db2.gz CXSIJRJJHDYXIL-ZDUSSCGKSA-N 1 2 383.236 3.801 20 10 GHCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001455941663 1062363039 /nfs/dbraw/zinc/36/30/39/1062363039.db2.gz ICKDYCYQOMTDCK-GOSISDBHSA-N 1 2 389.927 3.588 20 10 GHCDLO CCOc1ccc(N2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC001459798468 1064222111 /nfs/dbraw/zinc/22/21/11/1064222111.db2.gz RQFKXHPEEXIFAS-UHFFFAOYSA-N 1 2 389.499 3.999 20 10 GHCDLO Cc1cc(CC(=O)N2CC(Oc3cc[nH+]cc3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001464851200 1065243945 /nfs/dbraw/zinc/24/39/45/1065243945.db2.gz HQZUOGQQVPMUAY-UHFFFAOYSA-N 1 2 395.890 3.975 20 10 GHCDLO CC1(C)CCC[N@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001473196405 1073847008 /nfs/dbraw/zinc/84/70/08/1073847008.db2.gz CZUSWHITGWBZCE-UHFFFAOYSA-N 1 2 390.483 3.913 20 10 GHCDLO CC1(C)CCC[N@@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001473196405 1073847021 /nfs/dbraw/zinc/84/70/21/1073847021.db2.gz CZUSWHITGWBZCE-UHFFFAOYSA-N 1 2 390.483 3.913 20 10 GHCDLO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC001651025957 1126252678 /nfs/dbraw/zinc/25/26/78/1126252678.db2.gz WKYSOKBRQYPOPY-AWEZNQCLSA-N 1 2 388.664 3.640 20 10 GHCDLO COc1c(O)c(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000278437664 835087053 /nfs/dbraw/zinc/08/70/53/835087053.db2.gz VGGSDNQOVWEGTI-NSHDSACASA-N 1 2 376.413 3.591 20 10 GHCDLO COc1cccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1O ZINC000278529172 835314310 /nfs/dbraw/zinc/31/43/10/835314310.db2.gz DWEIJWBRPXUTTP-UHFFFAOYSA-N 1 2 392.459 3.922 20 10 GHCDLO O=C(C[N@H+]1CCC[C@H](OCCO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255912638 837287251 /nfs/dbraw/zinc/28/72/51/837287251.db2.gz YREKFFACMOWOKR-FQEVSTJZSA-N 1 2 382.464 3.514 20 10 GHCDLO O=C(C[N@@H+]1CCC[C@H](OCCO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255912638 837287261 /nfs/dbraw/zinc/28/72/61/837287261.db2.gz YREKFFACMOWOKR-FQEVSTJZSA-N 1 2 382.464 3.514 20 10 GHCDLO CCCN(Cc1ccccc1O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000066698361 838313373 /nfs/dbraw/zinc/31/33/73/838313373.db2.gz ARYOROAJUJLGCF-UHFFFAOYSA-N 1 2 378.476 3.759 20 10 GHCDLO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756395090 838873720 /nfs/dbraw/zinc/87/37/20/838873720.db2.gz GTYOHRSECOXYBM-NSHDSACASA-N 1 2 387.293 3.591 20 10 GHCDLO CSc1cccc(-n2c(C)cc(C(=O)C[NH+]3CCC(CC(N)=O)CC3)c2C)c1 ZINC000124878545 841032069 /nfs/dbraw/zinc/03/20/69/841032069.db2.gz VTVFEJBZEGSXAT-UHFFFAOYSA-N 1 2 399.560 3.586 20 10 GHCDLO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Br)cc(Cl)c1O ZINC000756583377 841859723 /nfs/dbraw/zinc/85/97/23/841859723.db2.gz NLVQKOCVYKOGDP-CMPLNLGQSA-N 1 2 378.694 3.654 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000382451983 842138398 /nfs/dbraw/zinc/13/83/98/842138398.db2.gz NNFCBQRQPZRKCS-TZMCWYRMSA-N 1 2 399.329 3.938 20 10 GHCDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)n1 ZINC000273425632 847334902 /nfs/dbraw/zinc/33/49/02/847334902.db2.gz WJPYXJVVRXCYLB-NSHDSACASA-N 1 2 385.395 3.643 20 10 GHCDLO Cc1nc(CN2CC[NH+](Cc3ccc(N(C)C)cc3C(F)(F)F)CC2)cs1 ZINC000792778751 881691652 /nfs/dbraw/zinc/69/16/52/881691652.db2.gz QIYNDHHSQUETHK-UHFFFAOYSA-N 1 2 398.498 3.854 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)cc1 ZINC000766239188 865808427 /nfs/dbraw/zinc/80/84/27/865808427.db2.gz HLCHRLOHZQHJPY-UHFFFAOYSA-N 1 2 376.460 3.600 20 10 GHCDLO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000478968465 866934924 /nfs/dbraw/zinc/93/49/24/866934924.db2.gz DKOZFWIAIKXLBZ-UHFFFAOYSA-N 1 2 376.909 3.833 20 10 GHCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1OC(F)(F)F ZINC000793349132 882143901 /nfs/dbraw/zinc/14/39/01/882143901.db2.gz QBPKWAAUTKTTAK-ZDUSSCGKSA-N 1 2 379.737 3.907 20 10 GHCDLO C[N@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000775562120 870855766 /nfs/dbraw/zinc/85/57/66/870855766.db2.gz DTAFXTCOBLRTMV-UHFFFAOYSA-N 1 2 375.520 3.949 20 10 GHCDLO C[N@@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000775562120 870855770 /nfs/dbraw/zinc/85/57/70/870855770.db2.gz DTAFXTCOBLRTMV-UHFFFAOYSA-N 1 2 375.520 3.949 20 10 GHCDLO CCCC[C@H](C)[N@H+](C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001194874976 872001726 /nfs/dbraw/zinc/00/17/26/872001726.db2.gz WCJYYHMRYFAUNX-HNNXBMFYSA-N 1 2 378.472 3.911 20 10 GHCDLO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001194874976 872001749 /nfs/dbraw/zinc/00/17/49/872001749.db2.gz WCJYYHMRYFAUNX-HNNXBMFYSA-N 1 2 378.472 3.911 20 10 GHCDLO OCC[N@H+](Cc1cc(Br)cc(Br)c1O)C1CCCC1 ZINC000775637273 872166299 /nfs/dbraw/zinc/16/62/99/872166299.db2.gz NTUZQJQFDJRVBS-UHFFFAOYSA-N 1 2 393.119 3.654 20 10 GHCDLO OCC[N@@H+](Cc1cc(Br)cc(Br)c1O)C1CCCC1 ZINC000775637273 872166305 /nfs/dbraw/zinc/16/63/05/872166305.db2.gz NTUZQJQFDJRVBS-UHFFFAOYSA-N 1 2 393.119 3.654 20 10 GHCDLO CCC(CC)C(=O)N1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000775650973 872344838 /nfs/dbraw/zinc/34/48/38/872344838.db2.gz IYSMTLCCPXZSJH-UHFFFAOYSA-N 1 2 383.330 3.544 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)c1ccc(N2CCOCC2)cc1 ZINC000743475234 873366599 /nfs/dbraw/zinc/36/65/99/873366599.db2.gz ZRMUIKBQSYYBRL-MSOLQXFVSA-N 1 2 392.503 3.909 20 10 GHCDLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)Cc1cc(C)ccc1O ZINC000770379971 874621861 /nfs/dbraw/zinc/62/18/61/874621861.db2.gz MEQSGJJUFAEBRS-KRWDZBQOSA-N 1 2 378.266 3.809 20 10 GHCDLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)Cc1cc(C)ccc1O ZINC000770379971 874621866 /nfs/dbraw/zinc/62/18/66/874621866.db2.gz MEQSGJJUFAEBRS-KRWDZBQOSA-N 1 2 378.266 3.809 20 10 GHCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000770382238 874624815 /nfs/dbraw/zinc/62/48/15/874624815.db2.gz UKJFLVHZKHMFEO-ZDUSSCGKSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000770382238 874624821 /nfs/dbraw/zinc/62/48/21/874624821.db2.gz UKJFLVHZKHMFEO-ZDUSSCGKSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCOc1ccc2c(c1)CCC2 ZINC001199619068 875082410 /nfs/dbraw/zinc/08/24/10/875082410.db2.gz JYNWKIBEHUVJGQ-UHFFFAOYSA-N 1 2 380.257 3.951 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000776176104 875693275 /nfs/dbraw/zinc/69/32/75/875693275.db2.gz YHMDVESHZKNIJE-HOCLYGCPSA-N 1 2 377.765 3.809 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000776176103 875693323 /nfs/dbraw/zinc/69/33/23/875693323.db2.gz YHMDVESHZKNIJE-GOEBONIOSA-N 1 2 377.765 3.809 20 10 GHCDLO CN1CCO[C@H]([C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)c2ccc(Cl)cc2)C1 ZINC000776253216 876033596 /nfs/dbraw/zinc/03/35/96/876033596.db2.gz LCZCHLLUNQJHLK-ZWKOTPCHSA-N 1 2 399.293 4.000 20 10 GHCDLO C[C@]1(O)CCCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203562202 912381005 /nfs/dbraw/zinc/38/10/05/912381005.db2.gz DYAWGGPZSIJNRD-AWEZNQCLSA-N 1 2 393.119 3.654 20 10 GHCDLO C[C@]1(O)CCCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203562202 912381034 /nfs/dbraw/zinc/38/10/34/912381034.db2.gz DYAWGGPZSIJNRD-AWEZNQCLSA-N 1 2 393.119 3.654 20 10 GHCDLO C[C@@H]([NH2+]CCOCCF)c1cc(Br)cc(Br)c1O ZINC000853238847 878917985 /nfs/dbraw/zinc/91/79/85/878917985.db2.gz SQTRUQZQXGOZFX-MRVPVSSYSA-N 1 2 385.071 3.554 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCOC(F)(F)F ZINC000789579985 879080431 /nfs/dbraw/zinc/08/04/31/879080431.db2.gz JZOQAPWXBOZRMY-UHFFFAOYSA-N 1 2 392.997 3.543 20 10 GHCDLO COc1cccc(C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)c1O ZINC000789773273 879287949 /nfs/dbraw/zinc/28/79/49/879287949.db2.gz GHEVDUFJHOACGO-UHFFFAOYSA-N 1 2 382.485 3.574 20 10 GHCDLO CCCO[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203567417 912479428 /nfs/dbraw/zinc/47/94/28/912479428.db2.gz QJVGQROYDFYUSA-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO CCCO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203567417 912479434 /nfs/dbraw/zinc/47/94/34/912479434.db2.gz QJVGQROYDFYUSA-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO C[NH+](C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccsc1 ZINC000804903304 883467325 /nfs/dbraw/zinc/46/73/25/883467325.db2.gz JJBUUTGSNLKQBS-AWEZNQCLSA-N 1 2 388.320 3.863 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C)n1-c1ccc(C)cc1 ZINC000859885316 884148028 /nfs/dbraw/zinc/14/80/28/884148028.db2.gz GJMUWAKAGMEWNI-IOKPGSKQSA-N 1 2 384.545 3.571 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C)n1-c1ccc(C)cc1 ZINC000859885316 884148035 /nfs/dbraw/zinc/14/80/35/884148035.db2.gz GJMUWAKAGMEWNI-IOKPGSKQSA-N 1 2 384.545 3.571 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000860043088 884284769 /nfs/dbraw/zinc/28/47/69/884284769.db2.gz NWULWVASKABUEB-AOMKIAJQSA-N 1 2 390.487 3.826 20 10 GHCDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4cc(F)c(F)cc4O)C[C@H]3O2)n1 ZINC001142512665 884368540 /nfs/dbraw/zinc/36/85/40/884368540.db2.gz HOAKWJNSMKMKJT-QTJFZDIUSA-N 1 2 389.446 3.936 20 10 GHCDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cc(F)c(F)cc4O)C[C@H]3O2)n1 ZINC001142512665 884368561 /nfs/dbraw/zinc/36/85/61/884368561.db2.gz HOAKWJNSMKMKJT-QTJFZDIUSA-N 1 2 389.446 3.936 20 10 GHCDLO CC[C@H]([NH2+]C[C@H](CO)Cc1cc(OC)cc(OC)c1)c1cccc(Cl)c1O ZINC000806141048 884399836 /nfs/dbraw/zinc/39/98/36/884399836.db2.gz FCQUPCDHRQZFPI-QRWLVFNGSA-N 1 2 393.911 3.955 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000862013568 886051425 /nfs/dbraw/zinc/05/14/25/886051425.db2.gz MWUBMBQPETZLDT-UHFFFAOYSA-N 1 2 375.472 3.777 20 10 GHCDLO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cc(Br)cc(Cl)c1O ZINC000808728929 886744630 /nfs/dbraw/zinc/74/46/30/886744630.db2.gz HEQKTXUQLBHGBR-QPWKKTDDSA-N 1 2 398.684 3.953 20 10 GHCDLO O=[N+]([O-])c1cc(F)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(F)c1 ZINC000795952530 913105023 /nfs/dbraw/zinc/10/50/23/913105023.db2.gz FLEFTITZLDTVQX-HNNXBMFYSA-N 1 2 378.375 3.760 20 10 GHCDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(F)c1 ZINC000795952530 913105030 /nfs/dbraw/zinc/10/50/30/913105030.db2.gz FLEFTITZLDTVQX-HNNXBMFYSA-N 1 2 378.375 3.760 20 10 GHCDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000810247612 888348458 /nfs/dbraw/zinc/34/84/58/888348458.db2.gz VQPXPSIUHNIIQA-UHFFFAOYSA-N 1 2 388.515 3.781 20 10 GHCDLO C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1O ZINC000794842669 888422810 /nfs/dbraw/zinc/42/28/10/888422810.db2.gz SBACQMSUXWQERH-YMTOWFKASA-N 1 2 377.309 3.953 20 10 GHCDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccn1 ZINC000124070678 891249764 /nfs/dbraw/zinc/24/97/64/891249764.db2.gz BHOKOICQWLOAKR-XMMPIXPASA-N 1 2 389.499 3.806 20 10 GHCDLO COC(=O)[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCC[C@@H](OC)C1 ZINC000826142482 895511398 /nfs/dbraw/zinc/51/13/98/895511398.db2.gz CUIWTKUBKWPRQD-ZSZQSSIHSA-N 1 2 393.524 3.535 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000883047157 897232729 /nfs/dbraw/zinc/23/27/29/897232729.db2.gz IRKGFCBKJDEJKL-UHFFFAOYSA-N 1 2 398.610 3.857 20 10 GHCDLO COC1(C[NH2+]Cc2cc(Br)cc(Br)c2O)CCCC1 ZINC001202604088 898254042 /nfs/dbraw/zinc/25/40/42/898254042.db2.gz VQYLDOWSSKHMFU-UHFFFAOYSA-N 1 2 393.119 3.966 20 10 GHCDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000133597198 898705484 /nfs/dbraw/zinc/70/54/84/898705484.db2.gz SFYFKKFSENMMEJ-SFHVURJKSA-N 1 2 376.508 3.846 20 10 GHCDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000133597198 898705491 /nfs/dbraw/zinc/70/54/91/898705491.db2.gz SFYFKKFSENMMEJ-SFHVURJKSA-N 1 2 376.508 3.846 20 10 GHCDLO COc1ccc(Cl)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1F ZINC001143895931 900730494 /nfs/dbraw/zinc/73/04/94/900730494.db2.gz LPHVEMIWDOJPHI-UHFFFAOYSA-N 1 2 378.875 3.956 20 10 GHCDLO COc1ccc(Cl)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1F ZINC001143895931 900730503 /nfs/dbraw/zinc/73/05/03/900730503.db2.gz LPHVEMIWDOJPHI-UHFFFAOYSA-N 1 2 378.875 3.956 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(Br)cc(F)c1O ZINC000886763816 901260012 /nfs/dbraw/zinc/26/00/12/901260012.db2.gz GEHLBKOJAGCMQG-JJTUWOBKSA-N 1 2 388.277 3.671 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(Br)c(OC)c3)CC2)cc1 ZINC001144225942 901321630 /nfs/dbraw/zinc/32/16/30/901321630.db2.gz LVBYAZDCABFDMZ-UHFFFAOYSA-N 1 2 391.309 3.789 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1)C1CCCC1 ZINC001144300083 901651604 /nfs/dbraw/zinc/65/16/04/901651604.db2.gz RUGVTACSGDFEHH-UHFFFAOYSA-N 1 2 399.304 3.565 20 10 GHCDLO CC(C)(C)OC(=O)NCCC1CC([NH2+]Cc2cccc(Br)c2O)C1 ZINC000845964270 902576986 /nfs/dbraw/zinc/57/69/86/902576986.db2.gz GJGZGMRZOGNFBP-UHFFFAOYSA-N 1 2 399.329 3.938 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000715154279 904545285 /nfs/dbraw/zinc/54/52/85/904545285.db2.gz HPSXECRFYKJNPH-AULYBMBSSA-N 1 2 385.302 3.548 20 10 GHCDLO Oc1c(F)cc(F)cc1C[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC001177502305 908604116 /nfs/dbraw/zinc/60/41/16/908604116.db2.gz WPBTURYOXISWFG-UHFFFAOYSA-N 1 2 395.881 3.626 20 10 GHCDLO COc1cc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)cc(OC)c1OC ZINC000194484412 908887377 /nfs/dbraw/zinc/88/73/77/908887377.db2.gz DHDBGJFCSQGBDS-UHFFFAOYSA-N 1 2 382.913 3.750 20 10 GHCDLO COc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1Cn1cccn1 ZINC001178639529 909162094 /nfs/dbraw/zinc/16/20/94/909162094.db2.gz ABMMGBZPMWGYCP-UHFFFAOYSA-N 1 2 379.357 3.786 20 10 GHCDLO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000775152504 915599216 /nfs/dbraw/zinc/59/92/16/915599216.db2.gz NESPFURNSRIQGA-GFCCVEGCSA-N 1 2 393.281 3.670 20 10 GHCDLO C[NH+]1CCN(C(=O)c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)CC1 ZINC000802760083 922386518 /nfs/dbraw/zinc/38/65/18/922386518.db2.gz APABFQMITRSGTQ-UHFFFAOYSA-N 1 2 394.302 3.699 20 10 GHCDLO CCOc1ccc(OCC)c(NC(=S)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000726906653 926919948 /nfs/dbraw/zinc/91/99/48/926919948.db2.gz ZAJHNMXDFQVMNP-UHFFFAOYSA-N 1 2 389.521 3.991 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000750047287 927403882 /nfs/dbraw/zinc/40/38/82/927403882.db2.gz MKKNSOROBBBEFJ-SJKOYZFVSA-N 1 2 396.915 3.983 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000750047287 927403886 /nfs/dbraw/zinc/40/38/86/927403886.db2.gz MKKNSOROBBBEFJ-SJKOYZFVSA-N 1 2 396.915 3.983 20 10 GHCDLO COc1ccccc1C[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@H]1CCCO1 ZINC000750819431 927872765 /nfs/dbraw/zinc/87/27/65/927872765.db2.gz AYXHXCCLLWJEIF-LJQANCHMSA-N 1 2 387.451 3.924 20 10 GHCDLO COc1ccccc1C[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@H]1CCCO1 ZINC000750819431 927872777 /nfs/dbraw/zinc/87/27/77/927872777.db2.gz AYXHXCCLLWJEIF-LJQANCHMSA-N 1 2 387.451 3.924 20 10 GHCDLO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)CC2)cc1F ZINC000753856963 929565658 /nfs/dbraw/zinc/56/56/58/929565658.db2.gz KOXGCKNEPABRIX-GOSISDBHSA-N 1 2 398.400 3.709 20 10 GHCDLO Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(Br)cc(F)c3O)CC2)n[nH]1 ZINC000784055941 931768846 /nfs/dbraw/zinc/76/88/46/931768846.db2.gz IOMKEUQJGDZOPA-NSHDSACASA-N 1 2 397.292 3.645 20 10 GHCDLO CC(C)C[C@H](c1nnc(N(C)Cc2ccccc2O)n1CC1CC1)n1cc[nH+]c1 ZINC001123397426 935179739 /nfs/dbraw/zinc/17/97/39/935179739.db2.gz QJSJWPNOOHEOPL-LJQANCHMSA-N 1 2 394.523 3.862 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c(C)n1-c1ccc(F)cn1 ZINC000828443089 935633123 /nfs/dbraw/zinc/63/31/23/935633123.db2.gz PLEPODWTXDXCDI-LJQANCHMSA-N 1 2 395.482 3.554 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c(C)n1-c1ccc(F)cn1 ZINC000828443089 935633128 /nfs/dbraw/zinc/63/31/28/935633128.db2.gz PLEPODWTXDXCDI-LJQANCHMSA-N 1 2 395.482 3.554 20 10 GHCDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 ZINC001137731046 935754022 /nfs/dbraw/zinc/75/40/22/935754022.db2.gz XSFMXSSOCQTHHW-LJQANCHMSA-N 1 2 390.447 3.834 20 10 GHCDLO C[C@H]([NH2+]Cc1ncc(Br)cn1)c1cccc(C(F)(F)F)c1O ZINC000903320348 1021592453 /nfs/dbraw/zinc/59/24/53/1021592453.db2.gz GDGANFLILYRCPL-QMMMGPOBSA-N 1 2 376.176 3.814 20 10 GHCDLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1cc(Br)ccc1O ZINC000834882999 1021610757 /nfs/dbraw/zinc/61/07/57/1021610757.db2.gz GAHQHMRZYMSVNQ-QMMMGPOBSA-N 1 2 389.091 3.502 20 10 GHCDLO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)cc(Cl)c1O ZINC000834913711 1021676528 /nfs/dbraw/zinc/67/65/28/1021676528.db2.gz IWMDULVLFCQJDE-PXWWUCIGSA-N 1 2 387.705 3.612 20 10 GHCDLO CC(C)OCc1ncn2c1C[N@H+](Cc1ccc(N(C)C)cc1Cl)CCC2 ZINC001140923454 1022897842 /nfs/dbraw/zinc/89/78/42/1022897842.db2.gz BALANUBWAPROQX-UHFFFAOYSA-N 1 2 376.932 3.933 20 10 GHCDLO CC(C)OCc1ncn2c1C[N@@H+](Cc1ccc(N(C)C)cc1Cl)CCC2 ZINC001140923454 1022897848 /nfs/dbraw/zinc/89/78/48/1022897848.db2.gz BALANUBWAPROQX-UHFFFAOYSA-N 1 2 376.932 3.933 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140924394 1022901392 /nfs/dbraw/zinc/90/13/92/1022901392.db2.gz IFUDUASCHFVNSX-SJORKVTESA-N 1 2 385.911 3.843 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140924394 1022901397 /nfs/dbraw/zinc/90/13/97/1022901397.db2.gz IFUDUASCHFVNSX-SJORKVTESA-N 1 2 385.911 3.843 20 10 GHCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c1 ZINC000756650272 1023753821 /nfs/dbraw/zinc/75/38/21/1023753821.db2.gz VGNKZWNAFKUWTB-KRWDZBQOSA-N 1 2 393.487 3.859 20 10 GHCDLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(Br)c(F)cc1O ZINC000756712484 1023784157 /nfs/dbraw/zinc/78/41/57/1023784157.db2.gz QXGOKTXSLOLPLB-CLAHSXSESA-N 1 2 390.199 3.956 20 10 GHCDLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Br)cc(F)c1O ZINC000756714542 1023785394 /nfs/dbraw/zinc/78/53/94/1023785394.db2.gz ZTATUPADYMRPEJ-XLKFXECMSA-N 1 2 390.199 3.956 20 10 GHCDLO CSC1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CCOCC1 ZINC000756734272 1023792272 /nfs/dbraw/zinc/79/22/72/1023792272.db2.gz VMILDMIZDCOMHT-JTQLQIEISA-N 1 2 378.307 3.857 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)cc(F)c1O ZINC000756761029 1023803816 /nfs/dbraw/zinc/80/38/16/1023803816.db2.gz KZKHIIUETMECNP-BDJLRTHQSA-N 1 2 399.304 3.878 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000830733404 1024113104 /nfs/dbraw/zinc/11/31/04/1024113104.db2.gz JGVLSPWZQDJOHT-AZUAARDMSA-N 1 2 377.843 3.548 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000830733404 1024113109 /nfs/dbraw/zinc/11/31/09/1024113109.db2.gz JGVLSPWZQDJOHT-AZUAARDMSA-N 1 2 377.843 3.548 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001141375218 1024768583 /nfs/dbraw/zinc/76/85/83/1024768583.db2.gz ZLXCTVOVSMFVCO-ZDUSSCGKSA-N 1 2 383.673 3.856 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001141375218 1024768587 /nfs/dbraw/zinc/76/85/87/1024768587.db2.gz ZLXCTVOVSMFVCO-ZDUSSCGKSA-N 1 2 383.673 3.856 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001139126707 1025939630 /nfs/dbraw/zinc/93/96/30/1025939630.db2.gz NLSUAIPSKPXKST-UHFFFAOYSA-N 1 2 392.377 3.895 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001139126707 1025939640 /nfs/dbraw/zinc/93/96/40/1025939640.db2.gz NLSUAIPSKPXKST-UHFFFAOYSA-N 1 2 392.377 3.895 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001139129214 1025941493 /nfs/dbraw/zinc/94/14/93/1025941493.db2.gz QUECYSLTEZPALU-AWEZNQCLSA-N 1 2 387.382 3.739 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001139129214 1025941495 /nfs/dbraw/zinc/94/14/95/1025941495.db2.gz QUECYSLTEZPALU-AWEZNQCLSA-N 1 2 387.382 3.739 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139129415 1025941539 /nfs/dbraw/zinc/94/15/39/1025941539.db2.gz YWKSRGFLSKJTIU-UHFFFAOYSA-N 1 2 399.468 3.604 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139129415 1025941540 /nfs/dbraw/zinc/94/15/40/1025941540.db2.gz YWKSRGFLSKJTIU-UHFFFAOYSA-N 1 2 399.468 3.604 20 10 GHCDLO Cc1ccc(C)c(C[N@@H+]2CCn3c(COCC4CCOCC4)cnc3[C@@H]2C)c1O ZINC001140179935 1026952673 /nfs/dbraw/zinc/95/26/73/1026952673.db2.gz AQBQZXOOMWTKOP-SFHVURJKSA-N 1 2 399.535 3.726 20 10 GHCDLO Cc1ccc(C)c(C[N@H+]2CCn3c(COCC4CCOCC4)cnc3[C@@H]2C)c1O ZINC001140179935 1026952677 /nfs/dbraw/zinc/95/26/77/1026952677.db2.gz AQBQZXOOMWTKOP-SFHVURJKSA-N 1 2 399.535 3.726 20 10 GHCDLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(N(C)C)cc3C)CCCC2)no1 ZINC000840933488 1027968620 /nfs/dbraw/zinc/96/86/20/1027968620.db2.gz GCYSVEDVGVPVTH-UHFFFAOYSA-N 1 2 385.556 3.845 20 10 GHCDLO Oc1c(F)cc(Br)cc1CNc1ccccc1C[NH+]1CCOCC1 ZINC001461322500 1069500132 /nfs/dbraw/zinc/50/01/32/1069500132.db2.gz XOZTUMVPGSUXEU-UHFFFAOYSA-N 1 2 395.272 3.738 20 10 GHCDLO COC(=O)N1CCN(c2ccc(N[C@H](C)c3ccc(Cl)cc3O)c[nH+]2)CC1 ZINC000841758310 1028915996 /nfs/dbraw/zinc/91/59/96/1028915996.db2.gz SGRQCDBWTARUSS-CYBMUJFWSA-N 1 2 390.871 3.502 20 10 GHCDLO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001218021279 1030727282 /nfs/dbraw/zinc/72/72/82/1030727282.db2.gz ASXDBDPMUBSYFG-GUYCJALGSA-N 1 2 381.428 3.638 20 10 GHCDLO CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[N@@H+]1CCO[C@@H](CC)C1 ZINC001151152525 1030784769 /nfs/dbraw/zinc/78/47/69/1030784769.db2.gz BOVIPNWGHFYYNY-VXKWHMMOSA-N 1 2 383.536 3.600 20 10 GHCDLO CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[N@H+]1CCO[C@@H](CC)C1 ZINC001151152525 1030784785 /nfs/dbraw/zinc/78/47/85/1030784785.db2.gz BOVIPNWGHFYYNY-VXKWHMMOSA-N 1 2 383.536 3.600 20 10 GHCDLO CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001151152523 1030785478 /nfs/dbraw/zinc/78/54/78/1030785478.db2.gz BOVIPNWGHFYYNY-FGZHOGPDSA-N 1 2 383.536 3.600 20 10 GHCDLO CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[N@H+]1CCO[C@H](CC)C1 ZINC001151152523 1030785495 /nfs/dbraw/zinc/78/54/95/1030785495.db2.gz BOVIPNWGHFYYNY-FGZHOGPDSA-N 1 2 383.536 3.600 20 10 GHCDLO COC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001207414281 1034351292 /nfs/dbraw/zinc/35/12/92/1034351292.db2.gz DZTIBQJVWUTQKO-LLVKDONJSA-N 1 2 390.705 3.973 20 10 GHCDLO COC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001207414281 1034351301 /nfs/dbraw/zinc/35/13/01/1034351301.db2.gz DZTIBQJVWUTQKO-LLVKDONJSA-N 1 2 390.705 3.973 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1O ZINC001231554370 1034707804 /nfs/dbraw/zinc/70/78/04/1034707804.db2.gz QBONAJMZDIJGGE-KRWDZBQOSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1ccc(Br)c(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1O ZINC001231554370 1034707818 /nfs/dbraw/zinc/70/78/18/1034707818.db2.gz QBONAJMZDIJGGE-KRWDZBQOSA-N 1 2 378.266 3.737 20 10 GHCDLO COC(=O)c1c(C[N@H+](C)Cc2cccc(OC)c2OC)c2ccccc2n1C ZINC001232405604 1038189100 /nfs/dbraw/zinc/18/91/00/1038189100.db2.gz NPPISLIDKVMATD-UHFFFAOYSA-N 1 2 382.460 3.614 20 10 GHCDLO COC(=O)c1c(C[N@@H+](C)Cc2cccc(OC)c2OC)c2ccccc2n1C ZINC001232405604 1038189108 /nfs/dbraw/zinc/18/91/08/1038189108.db2.gz NPPISLIDKVMATD-UHFFFAOYSA-N 1 2 382.460 3.614 20 10 GHCDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)nc1 ZINC001233031346 1038785976 /nfs/dbraw/zinc/78/59/76/1038785976.db2.gz AABZKDDQUZXTBZ-CYBMUJFWSA-N 1 2 381.245 3.651 20 10 GHCDLO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C[C@@H]1C ZINC001233033440 1038788620 /nfs/dbraw/zinc/78/86/20/1038788620.db2.gz OBCCAEFYLPIDNN-RYUDHWBXSA-N 1 2 388.277 3.705 20 10 GHCDLO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C[C@@H]1C ZINC001233033440 1038788636 /nfs/dbraw/zinc/78/86/36/1038788636.db2.gz OBCCAEFYLPIDNN-RYUDHWBXSA-N 1 2 388.277 3.705 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCc3cccc(OC)c3C2)cc1Br ZINC001233135194 1038916773 /nfs/dbraw/zinc/91/67/73/1038916773.db2.gz OGOSRYCEZDFKDX-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCc3cccc(OC)c3C2)cc1Br ZINC001233135194 1038916776 /nfs/dbraw/zinc/91/67/76/1038916776.db2.gz OGOSRYCEZDFKDX-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COC[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)Cc2cn(CC3CCCC3)nc21 ZINC001233333045 1039129526 /nfs/dbraw/zinc/12/95/26/1039129526.db2.gz HSTGLAOQJXTLBE-MRXNPFEDSA-N 1 2 391.462 3.803 20 10 GHCDLO COC[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)Cc2cn(CC3CCCC3)nc21 ZINC001233333045 1039129537 /nfs/dbraw/zinc/12/95/37/1039129537.db2.gz HSTGLAOQJXTLBE-MRXNPFEDSA-N 1 2 391.462 3.803 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cccc(C(F)(F)F)c3O)C[C@@H]21 ZINC001233416386 1039272758 /nfs/dbraw/zinc/27/27/58/1039272758.db2.gz GNWKPXRXBUCOLK-WFASDCNBSA-N 1 2 386.414 3.852 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3O)C[C@@H]21 ZINC001233416386 1039272771 /nfs/dbraw/zinc/27/27/71/1039272771.db2.gz GNWKPXRXBUCOLK-WFASDCNBSA-N 1 2 386.414 3.852 20 10 GHCDLO Oc1ccc(-c2nnc(Cc3ccccc3Cl)o2)cc1C[NH+]1CCOCC1 ZINC001254407300 1040215025 /nfs/dbraw/zinc/21/50/25/1040215025.db2.gz USWLKAISWMVKHR-UHFFFAOYSA-N 1 2 385.851 3.519 20 10 GHCDLO COc1cc(N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)cc(OC)c1OC ZINC001254761618 1040522968 /nfs/dbraw/zinc/52/29/68/1040522968.db2.gz QLKDUCWFZQMECG-UHFFFAOYSA-N 1 2 393.487 3.896 20 10 GHCDLO CC(C)N1CC2(CC1=O)CC[NH+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001235309175 1040784218 /nfs/dbraw/zinc/78/42/18/1040784218.db2.gz UZBBDVXBSBMRNV-UHFFFAOYSA-N 1 2 399.304 3.517 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1Cl ZINC001236803508 1041905663 /nfs/dbraw/zinc/90/56/63/1041905663.db2.gz VAAMYVYXCMSEJU-CQSZACIVSA-N 1 2 382.888 3.543 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1Cl ZINC001236803508 1041905667 /nfs/dbraw/zinc/90/56/67/1041905667.db2.gz VAAMYVYXCMSEJU-CQSZACIVSA-N 1 2 382.888 3.543 20 10 GHCDLO COc1ccc(C[NH+]2CCC3(CC[C@@H](COC(C)=O)C3)CC2)c(O)c1Cl ZINC001236810317 1041910251 /nfs/dbraw/zinc/91/02/51/1041910251.db2.gz SPBABEMKMQVIPZ-OAHLLOKOSA-N 1 2 381.900 4.000 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c(O)c1Cl ZINC001236812270 1041912073 /nfs/dbraw/zinc/91/20/73/1041912073.db2.gz UMXFMNVBCYLVBY-JDFRZJQESA-N 1 2 381.900 3.996 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c(O)c1Cl ZINC001236812270 1041912076 /nfs/dbraw/zinc/91/20/76/1041912076.db2.gz UMXFMNVBCYLVBY-JDFRZJQESA-N 1 2 381.900 3.996 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)c(O)c1Cl ZINC001236812256 1041912134 /nfs/dbraw/zinc/91/21/34/1041912134.db2.gz UIIBLEKIJRXZIX-TZMCWYRMSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)c(O)c1Cl ZINC001236812256 1041912142 /nfs/dbraw/zinc/91/21/42/1041912142.db2.gz UIIBLEKIJRXZIX-TZMCWYRMSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2c3cccc2F)c(O)c1Cl ZINC001236814737 1041912869 /nfs/dbraw/zinc/91/28/69/1041912869.db2.gz YJMBUDLUIAOTHP-UHFFFAOYSA-N 1 2 390.842 3.679 20 10 GHCDLO COc1cc(C)c(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001236819812 1041915599 /nfs/dbraw/zinc/91/55/99/1041915599.db2.gz GWTISKCUFRDFLL-FQEVSTJZSA-N 1 2 383.488 3.978 20 10 GHCDLO COc1cc(C)c(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001236819812 1041915600 /nfs/dbraw/zinc/91/56/00/1041915600.db2.gz GWTISKCUFRDFLL-FQEVSTJZSA-N 1 2 383.488 3.978 20 10 GHCDLO CN1CCN(c2ccc(C[N@@H+]3CCCC[C@@H](F)C3)cc2Br)CC1 ZINC001237088552 1042030665 /nfs/dbraw/zinc/03/06/65/1042030665.db2.gz BGGRZJAIBVRTDR-MRXNPFEDSA-N 1 2 384.337 3.525 20 10 GHCDLO CN1CCN(c2ccc(C[N@H+]3CCCC[C@@H](F)C3)cc2Br)CC1 ZINC001237088552 1042030668 /nfs/dbraw/zinc/03/06/68/1042030668.db2.gz BGGRZJAIBVRTDR-MRXNPFEDSA-N 1 2 384.337 3.525 20 10 GHCDLO O=C(NC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1)c1ccc(F)cc1 ZINC001237127967 1042055233 /nfs/dbraw/zinc/05/52/33/1042055233.db2.gz KTGBNKNQBYSLBS-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001237136474 1042058306 /nfs/dbraw/zinc/05/83/06/1042058306.db2.gz FMZWDGKOKRIHNS-OAHLLOKOSA-N 1 2 395.425 3.666 20 10 GHCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001237136474 1042058310 /nfs/dbraw/zinc/05/83/10/1042058310.db2.gz FMZWDGKOKRIHNS-OAHLLOKOSA-N 1 2 395.425 3.666 20 10 GHCDLO COc1ccccc1C[NH+]1CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138761 1042060689 /nfs/dbraw/zinc/06/06/89/1042060689.db2.gz FUMPITSQJPFBAG-UHFFFAOYSA-N 1 2 380.410 3.737 20 10 GHCDLO COc1ccccc1CN1CC[NH+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138761 1042060701 /nfs/dbraw/zinc/06/07/01/1042060701.db2.gz FUMPITSQJPFBAG-UHFFFAOYSA-N 1 2 380.410 3.737 20 10 GHCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)c1O ZINC001237687169 1042327999 /nfs/dbraw/zinc/32/79/99/1042327999.db2.gz SUMYDRQGFFKZRS-UHFFFAOYSA-N 1 2 379.287 3.965 20 10 GHCDLO C[C@]1(O)CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001237784143 1042367169 /nfs/dbraw/zinc/36/71/69/1042367169.db2.gz QSSDRFJURNYNJR-AWEZNQCLSA-N 1 2 382.220 3.910 20 10 GHCDLO C[C@]1(O)CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001237784143 1042367171 /nfs/dbraw/zinc/36/71/71/1042367171.db2.gz QSSDRFJURNYNJR-AWEZNQCLSA-N 1 2 382.220 3.910 20 10 GHCDLO CC[N@H+](CCn1cccn1)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237792211 1042372757 /nfs/dbraw/zinc/37/27/57/1042372757.db2.gz QJNDYCKUPUEQEP-UHFFFAOYSA-N 1 2 392.219 3.892 20 10 GHCDLO CC[N@@H+](CCn1cccn1)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237792211 1042372759 /nfs/dbraw/zinc/37/27/59/1042372759.db2.gz QJNDYCKUPUEQEP-UHFFFAOYSA-N 1 2 392.219 3.892 20 10 GHCDLO Oc1c(Cl)cc(F)cc1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001237800205 1042376371 /nfs/dbraw/zinc/37/63/71/1042376371.db2.gz MFLDSKXIGNEBRY-SJLPKXTDSA-N 1 2 394.849 3.661 20 10 GHCDLO Oc1c(Cl)cc(F)cc1CN1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001237800205 1042376375 /nfs/dbraw/zinc/37/63/75/1042376375.db2.gz MFLDSKXIGNEBRY-SJLPKXTDSA-N 1 2 394.849 3.661 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001237935424 1042427362 /nfs/dbraw/zinc/42/73/62/1042427362.db2.gz APVVMMQZBQMXCH-UHFFFAOYSA-N 1 2 379.863 3.714 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001237935424 1042427365 /nfs/dbraw/zinc/42/73/65/1042427365.db2.gz APVVMMQZBQMXCH-UHFFFAOYSA-N 1 2 379.863 3.714 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237937181 1042427990 /nfs/dbraw/zinc/42/79/90/1042427990.db2.gz NEZKARSESXCLHM-WBVHZDCISA-N 1 2 375.875 3.534 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237937181 1042427993 /nfs/dbraw/zinc/42/79/93/1042427993.db2.gz NEZKARSESXCLHM-WBVHZDCISA-N 1 2 375.875 3.534 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)cc1 ZINC001237939343 1042429481 /nfs/dbraw/zinc/42/94/81/1042429481.db2.gz AVRHTINNDLHYJI-UHFFFAOYSA-N 1 2 394.874 3.532 20 10 GHCDLO O=c1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(Cl)c(Cl)cc2O)[nH]1 ZINC001279665806 1047905766 /nfs/dbraw/zinc/90/57/66/1047905766.db2.gz YBKGWGLECWSXPM-IRXDYDNUSA-N 1 2 394.302 3.648 20 10 GHCDLO O=c1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(Cl)c(Cl)cc2O)[nH]1 ZINC001279665806 1047905770 /nfs/dbraw/zinc/90/57/70/1047905770.db2.gz YBKGWGLECWSXPM-IRXDYDNUSA-N 1 2 394.302 3.648 20 10 GHCDLO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(Cl)c(Cl)cc2O)[nH]1 ZINC001279665806 1047905774 /nfs/dbraw/zinc/90/57/74/1047905774.db2.gz YBKGWGLECWSXPM-IRXDYDNUSA-N 1 2 394.302 3.648 20 10 GHCDLO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(Cl)c(Cl)cc2O)[nH]1 ZINC001279665806 1047905777 /nfs/dbraw/zinc/90/57/77/1047905777.db2.gz YBKGWGLECWSXPM-IRXDYDNUSA-N 1 2 394.302 3.648 20 10 GHCDLO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2c(O)ccc(Cl)c2Cl)n(C)n1 ZINC001279676719 1047910810 /nfs/dbraw/zinc/91/08/10/1047910810.db2.gz NITVSVUGELNFTN-IRXDYDNUSA-N 1 2 395.334 3.590 20 10 GHCDLO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2c(O)ccc(Cl)c2Cl)n(C)n1 ZINC001279676719 1047910815 /nfs/dbraw/zinc/91/08/15/1047910815.db2.gz NITVSVUGELNFTN-IRXDYDNUSA-N 1 2 395.334 3.590 20 10 GHCDLO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2c(O)ccc(Cl)c2Cl)n(C)n1 ZINC001279676719 1047910817 /nfs/dbraw/zinc/91/08/17/1047910817.db2.gz NITVSVUGELNFTN-IRXDYDNUSA-N 1 2 395.334 3.590 20 10 GHCDLO Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2c(O)ccc(Cl)c2Cl)n(C)n1 ZINC001279676719 1047910822 /nfs/dbraw/zinc/91/08/22/1047910822.db2.gz NITVSVUGELNFTN-IRXDYDNUSA-N 1 2 395.334 3.590 20 10 GHCDLO C[C@](O)(C[NH2+]Cc1cc(Cl)cc(Br)c1O)c1ccsc1 ZINC001200631130 1056532196 /nfs/dbraw/zinc/53/21/96/1056532196.db2.gz RDYCPYVELCIMPN-AWEZNQCLSA-N 1 2 376.703 3.867 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC001323175621 1056934210 /nfs/dbraw/zinc/93/42/10/1056934210.db2.gz ASEJPZMVNVDACF-IBGZPJMESA-N 1 2 381.520 3.851 20 10 GHCDLO COC(=O)N1CCN(c2ccc(N[C@@H]3C[C@H](C)c4c3c(O)ccc4C)c[nH+]2)CC1 ZINC001324967438 1057255380 /nfs/dbraw/zinc/25/53/80/1057255380.db2.gz DTWSUHXDQAUBQR-DOTOQJQBSA-N 1 2 396.491 3.644 20 10 GHCDLO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c(O)c1O ZINC001465063814 1065364762 /nfs/dbraw/zinc/36/47/62/1065364762.db2.gz PVRPAMXQYSXOAJ-HNNXBMFYSA-N 1 2 392.858 3.593 20 10 GHCDLO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c(O)c1O ZINC001465063814 1065364789 /nfs/dbraw/zinc/36/47/89/1065364789.db2.gz PVRPAMXQYSXOAJ-HNNXBMFYSA-N 1 2 392.858 3.593 20 10 GHCDLO CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222720 1073871767 /nfs/dbraw/zinc/87/17/67/1073871767.db2.gz IKUMVPJAWHVRAD-CABCVRRESA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222720 1073871774 /nfs/dbraw/zinc/87/17/74/1073871774.db2.gz IKUMVPJAWHVRAD-CABCVRRESA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222723 1073872181 /nfs/dbraw/zinc/87/21/81/1073872181.db2.gz IKUMVPJAWHVRAD-GJZGRUSLSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222723 1073872186 /nfs/dbraw/zinc/87/21/86/1073872186.db2.gz IKUMVPJAWHVRAD-GJZGRUSLSA-N 1 2 376.456 3.521 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC001473924108 1074205617 /nfs/dbraw/zinc/20/56/17/1074205617.db2.gz ODLNYUTWNMMNPI-UHFFFAOYSA-N 1 2 390.256 3.812 20 10 GHCDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001474354806 1074359131 /nfs/dbraw/zinc/35/91/31/1074359131.db2.gz CXYVNPIDAULGES-SFHVURJKSA-N 1 2 394.357 3.540 20 10 GHCDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001474354806 1074359137 /nfs/dbraw/zinc/35/91/37/1074359137.db2.gz CXYVNPIDAULGES-SFHVURJKSA-N 1 2 394.357 3.540 20 10 GHCDLO COc1ccc(N2CCC([NH2+]c3ccc(N4CCOCC4)c(C)c3)CC2)cc1 ZINC001474386525 1074379463 /nfs/dbraw/zinc/37/94/63/1074379463.db2.gz KCXVVBADWHEFMW-UHFFFAOYSA-N 1 2 381.520 3.921 20 10 GHCDLO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)cc1 ZINC001474506703 1074438564 /nfs/dbraw/zinc/43/85/64/1074438564.db2.gz LXKJSEAAAUGSMU-UHFFFAOYSA-N 1 2 384.657 3.885 20 10 GHCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H](O)Cc1ccccc1 ZINC001474552491 1074460454 /nfs/dbraw/zinc/46/04/54/1074460454.db2.gz LCQLQHPUVXKORA-OAHLLOKOSA-N 1 2 384.701 3.844 20 10 GHCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H](O)Cc1ccccc1 ZINC001474552491 1074460455 /nfs/dbraw/zinc/46/04/55/1074460455.db2.gz LCQLQHPUVXKORA-OAHLLOKOSA-N 1 2 384.701 3.844 20 10 GHCDLO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001658372089 1126262132 /nfs/dbraw/zinc/26/21/32/1126262132.db2.gz XYCOLWPKDIATQD-QGZVFWFLSA-N 1 2 386.236 3.516 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000177016204 835476375 /nfs/dbraw/zinc/47/63/75/835476375.db2.gz DEMDLYWOOGIGSD-UHFFFAOYSA-N 1 2 386.879 3.596 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000177016204 835476379 /nfs/dbraw/zinc/47/63/79/835476379.db2.gz DEMDLYWOOGIGSD-UHFFFAOYSA-N 1 2 386.879 3.596 20 10 GHCDLO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Br)cc(Br)c1O ZINC000834906306 841713572 /nfs/dbraw/zinc/71/35/72/841713572.db2.gz OOZWRESEQDDBMY-SDBXPKJASA-N 1 2 393.119 3.729 20 10 GHCDLO COc1cccc([C@@H](C[NH2+]Cc2cccc(Br)c2O)N(C)C)c1 ZINC000098039164 843794943 /nfs/dbraw/zinc/79/49/43/843794943.db2.gz YNHBYUKIWIHHTB-QGZVFWFLSA-N 1 2 379.298 3.556 20 10 GHCDLO C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273494694 847356308 /nfs/dbraw/zinc/35/63/08/847356308.db2.gz OWHWEOLMIABOLD-OAHLLOKOSA-N 1 2 385.464 3.678 20 10 GHCDLO CC(=O)N(C)C1CC[NH+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000119892403 848459129 /nfs/dbraw/zinc/45/91/29/848459129.db2.gz RHNXMZIAGIKSDS-OCOZRVBESA-N 1 2 393.491 3.983 20 10 GHCDLO CN(Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732188124 862114557 /nfs/dbraw/zinc/11/45/57/862114557.db2.gz GLLCTYNYSXPVMD-INIZCTEOSA-N 1 2 375.310 3.976 20 10 GHCDLO CN(Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732188124 862114560 /nfs/dbraw/zinc/11/45/60/862114560.db2.gz GLLCTYNYSXPVMD-INIZCTEOSA-N 1 2 375.310 3.976 20 10 GHCDLO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000729444225 851204793 /nfs/dbraw/zinc/20/47/93/851204793.db2.gz IHNJVKONYZHYKH-HOTGVXAUSA-N 1 2 389.927 3.587 20 10 GHCDLO C[S@@](=O)C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccccc1 ZINC000894424444 851286870 /nfs/dbraw/zinc/28/68/70/851286870.db2.gz GFCVGTNEVTZXLX-OYHNWAKOSA-N 1 2 386.286 3.503 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000894860688 853244296 /nfs/dbraw/zinc/24/42/96/853244296.db2.gz VKZOJQYSCDIRLG-UHFFFAOYSA-N 1 2 376.678 3.537 20 10 GHCDLO COc1cc(/C=C/c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc(O)c1O ZINC001212150040 854086664 /nfs/dbraw/zinc/08/66/64/854086664.db2.gz USZQFPTYNKBHLN-VOTSOKGWSA-N 1 2 376.372 3.513 20 10 GHCDLO C[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1cc(Br)c(F)cc1O ZINC000903220524 859551385 /nfs/dbraw/zinc/55/13/85/859551385.db2.gz ORVFJNOGURWXFJ-VIFPVBQESA-N 1 2 388.306 3.663 20 10 GHCDLO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(Br)cc(F)c3O)C2)n1 ZINC000922863126 860688290 /nfs/dbraw/zinc/68/82/90/860688290.db2.gz YVFAKUSWWAVDHV-JOYOIKCWSA-N 1 2 384.249 3.665 20 10 GHCDLO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ncc(-c2ccccc2)o1 ZINC000184847380 864984477 /nfs/dbraw/zinc/98/44/77/864984477.db2.gz VVFMIUIUHMSPAG-KRWDZBQOSA-N 1 2 392.503 3.717 20 10 GHCDLO CCO[C@H](C)c1noc(C[N@H+](CC)Cc2cc(Br)ccc2O)n1 ZINC000174422524 865789637 /nfs/dbraw/zinc/78/96/37/865789637.db2.gz YJTQKUYLYWEIMZ-LLVKDONJSA-N 1 2 384.274 3.657 20 10 GHCDLO CCO[C@H](C)c1noc(C[N@@H+](CC)Cc2cc(Br)ccc2O)n1 ZINC000174422524 865789646 /nfs/dbraw/zinc/78/96/46/865789646.db2.gz YJTQKUYLYWEIMZ-LLVKDONJSA-N 1 2 384.274 3.657 20 10 GHCDLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975785 866225993 /nfs/dbraw/zinc/22/59/93/866225993.db2.gz USVHTNSOHWHLIH-QGZVFWFLSA-N 1 2 394.471 3.873 20 10 GHCDLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975785 866226006 /nfs/dbraw/zinc/22/60/06/866226006.db2.gz USVHTNSOHWHLIH-QGZVFWFLSA-N 1 2 394.471 3.873 20 10 GHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000793239747 882038125 /nfs/dbraw/zinc/03/81/25/882038125.db2.gz DEHFXFUICZFHCT-UHFFFAOYSA-N 1 2 386.446 3.738 20 10 GHCDLO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000857874825 882603482 /nfs/dbraw/zinc/60/34/82/882603482.db2.gz RVIVKZFIVPXGJO-YCRPNKLZSA-N 1 2 399.922 3.541 20 10 GHCDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000527467396 873166090 /nfs/dbraw/zinc/16/60/90/873166090.db2.gz WEVFOCUIRSIABI-UHFFFAOYSA-N 1 2 382.533 3.576 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)[C@@H](CO)C(C)(C)C ZINC000775734634 873264280 /nfs/dbraw/zinc/26/42/80/873264280.db2.gz UOUQFBNOLWPPDL-LBPRGKRZSA-N 1 2 395.135 3.756 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@@H](CO)C(C)(C)C ZINC000775734634 873264290 /nfs/dbraw/zinc/26/42/90/873264290.db2.gz UOUQFBNOLWPPDL-LBPRGKRZSA-N 1 2 395.135 3.756 20 10 GHCDLO Oc1ccc(Br)cc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000768885239 873647560 /nfs/dbraw/zinc/64/75/60/873647560.db2.gz AKWZEGMQELABNX-UHFFFAOYSA-N 1 2 384.277 3.899 20 10 GHCDLO Oc1ccc(Br)cc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000768885239 873647567 /nfs/dbraw/zinc/64/75/67/873647567.db2.gz AKWZEGMQELABNX-UHFFFAOYSA-N 1 2 384.277 3.899 20 10 GHCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000769152848 873851354 /nfs/dbraw/zinc/85/13/54/873851354.db2.gz MUSSDQZDAWPFKZ-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cccc(O)c1C[N@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000769152848 873851359 /nfs/dbraw/zinc/85/13/59/873851359.db2.gz MUSSDQZDAWPFKZ-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO OCC[N@H+](Cc1cc(Br)ccc1F)Cc1c(O)cccc1Cl ZINC000769222447 873901954 /nfs/dbraw/zinc/90/19/54/873901954.db2.gz HUXPLYCGVCHGNX-UHFFFAOYSA-N 1 2 388.664 3.942 20 10 GHCDLO OCC[N@@H+](Cc1cc(Br)ccc1F)Cc1c(O)cccc1Cl ZINC000769222447 873901960 /nfs/dbraw/zinc/90/19/60/873901960.db2.gz HUXPLYCGVCHGNX-UHFFFAOYSA-N 1 2 388.664 3.942 20 10 GHCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000769472219 874090967 /nfs/dbraw/zinc/09/09/67/874090967.db2.gz FOROBTUYUDYCRV-AOMKIAJQSA-N 1 2 388.458 3.763 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000769472219 874090980 /nfs/dbraw/zinc/09/09/80/874090980.db2.gz FOROBTUYUDYCRV-AOMKIAJQSA-N 1 2 388.458 3.763 20 10 GHCDLO C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cc(Br)cc(F)c1O ZINC000850574336 877040255 /nfs/dbraw/zinc/04/02/55/877040255.db2.gz XMHMAQFAJRCIGW-NSHDSACASA-N 1 2 387.293 3.770 20 10 GHCDLO CNC(=O)CC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)CC1 ZINC000746670344 877315927 /nfs/dbraw/zinc/31/59/27/877315927.db2.gz QCWPEUBFTNSTOQ-UHFFFAOYSA-N 1 2 395.547 3.742 20 10 GHCDLO C[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)Cc1ccccc1O ZINC000109773788 877430442 /nfs/dbraw/zinc/43/04/42/877430442.db2.gz AFCRNZIKEICDFH-UHFFFAOYSA-N 1 2 388.265 3.761 20 10 GHCDLO C[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)Cc1ccccc1O ZINC000109773788 877430455 /nfs/dbraw/zinc/43/04/55/877430455.db2.gz AFCRNZIKEICDFH-UHFFFAOYSA-N 1 2 388.265 3.761 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)ccc1[N+](=O)[O-] ZINC001183206315 912368749 /nfs/dbraw/zinc/36/87/49/912368749.db2.gz OTTMYVTVCCFUJI-UHFFFAOYSA-N 1 2 382.338 3.886 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)ccc1[N+](=O)[O-] ZINC001183206315 912368770 /nfs/dbraw/zinc/36/87/70/912368770.db2.gz OTTMYVTVCCFUJI-UHFFFAOYSA-N 1 2 382.338 3.886 20 10 GHCDLO Oc1c(F)cc(Br)cc1CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001183301237 912408350 /nfs/dbraw/zinc/40/83/50/912408350.db2.gz UNBQSRVSVNAEES-UHFFFAOYSA-N 1 2 391.284 3.612 20 10 GHCDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc4c(c3)CCCN4C)cn2c1 ZINC000746889796 879589541 /nfs/dbraw/zinc/58/95/41/879589541.db2.gz YJFIQZCGDXFVMX-UHFFFAOYSA-N 1 2 394.544 3.575 20 10 GHCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(c3ccc(OC)c(F)c3)C2=O)c1 ZINC000776726269 879663290 /nfs/dbraw/zinc/66/32/90/879663290.db2.gz ICNMNQQGPRSUBS-PXNMLYILSA-N 1 2 390.461 3.952 20 10 GHCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000776727470 879737657 /nfs/dbraw/zinc/73/76/57/879737657.db2.gz XOSXXBWUPVCNLE-FRKPEAEDSA-N 1 2 386.454 3.533 20 10 GHCDLO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cccc(Cl)c2O)cn1 ZINC000792184348 880973142 /nfs/dbraw/zinc/97/31/42/880973142.db2.gz ACSPMUFYYHOKCJ-HXUWFJFHSA-N 1 2 385.895 3.998 20 10 GHCDLO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2O)cn1 ZINC000792184348 880973147 /nfs/dbraw/zinc/97/31/47/880973147.db2.gz ACSPMUFYYHOKCJ-HXUWFJFHSA-N 1 2 385.895 3.998 20 10 GHCDLO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCOC)cc1)c1cccc(Cl)c1O ZINC000806160934 884415604 /nfs/dbraw/zinc/41/56/04/884415604.db2.gz GIKGBELTMUIVIB-GOSISDBHSA-N 1 2 397.924 3.707 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000153409498 885194716 /nfs/dbraw/zinc/19/47/16/885194716.db2.gz PCIUMVKHNMVTRV-OXJNMPFZSA-N 1 2 387.503 3.661 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000862529828 886432542 /nfs/dbraw/zinc/43/25/42/886432542.db2.gz OSTSAYXCPQRGPN-WCQYABFASA-N 1 2 391.103 3.574 20 10 GHCDLO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cc(Br)cc(F)c3O)[C@@H]2C1 ZINC000808723720 886707675 /nfs/dbraw/zinc/70/76/75/886707675.db2.gz PZCXHNQHKJUXQP-GHJJGOHKSA-N 1 2 399.304 3.591 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc(C)cc3C)CC2)cc1F ZINC000122023696 889311440 /nfs/dbraw/zinc/31/14/40/889311440.db2.gz QPGBABTZRFOYQU-QGZVFWFLSA-N 1 2 385.483 3.600 20 10 GHCDLO Cc1cc(C(=O)NCc2c[nH+]cn2C)c(C)n1-c1cccc(Br)c1 ZINC000811589171 889770068 /nfs/dbraw/zinc/77/00/68/889770068.db2.gz NQRYQKYATXPQFY-UHFFFAOYSA-N 1 2 387.281 3.520 20 10 GHCDLO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cccc(Cl)c1O ZINC000287531509 913391696 /nfs/dbraw/zinc/39/16/96/913391696.db2.gz DRJCZBYFUDCSRL-INIZCTEOSA-N 1 2 388.961 3.679 20 10 GHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645550 891592202 /nfs/dbraw/zinc/59/22/02/891592202.db2.gz UGOBKJCDBAADPW-UHFFFAOYSA-N 1 2 395.482 3.809 20 10 GHCDLO OC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccccc1Br ZINC000763420739 892197647 /nfs/dbraw/zinc/19/76/47/892197647.db2.gz LDOGULZBNVQTBX-GFCCVEGCSA-N 1 2 384.701 3.749 20 10 GHCDLO CC[C@H](Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1)c1ccc(C)cc1O ZINC000815656247 894070338 /nfs/dbraw/zinc/07/03/38/894070338.db2.gz PELMBZBILGJOMI-SFHVURJKSA-N 1 2 384.480 3.547 20 10 GHCDLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)[C@H]1n1cccn1 ZINC000815661161 894076315 /nfs/dbraw/zinc/07/63/15/894076315.db2.gz VCWNREVOYCAEOH-CXOGBFNASA-N 1 2 398.276 3.560 20 10 GHCDLO CO[C@H](C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O)C1CC1 ZINC000815650853 894096291 /nfs/dbraw/zinc/09/62/91/894096291.db2.gz CUSBTOAAHPCIIM-AMIZOPFISA-N 1 2 393.119 3.993 20 10 GHCDLO C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000878300064 894177605 /nfs/dbraw/zinc/17/76/05/894177605.db2.gz AOSWREVXXHQQJM-ULQDDVLXSA-N 1 2 383.492 3.884 20 10 GHCDLO COC(=O)[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000826142479 895510978 /nfs/dbraw/zinc/51/09/78/895510978.db2.gz CUIWTKUBKWPRQD-IDHHARJASA-N 1 2 393.524 3.535 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(Br)cc(F)c1O ZINC000817973965 895989723 /nfs/dbraw/zinc/98/97/23/895989723.db2.gz HVKMNBQBFXYWOC-DIFFPNOSSA-N 1 2 379.273 3.831 20 10 GHCDLO C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000824696270 899771681 /nfs/dbraw/zinc/77/16/81/899771681.db2.gz JMJSECMYAXAKSQ-QMMMGPOBSA-N 1 2 381.108 3.556 20 10 GHCDLO OCCC[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000825337248 900101548 /nfs/dbraw/zinc/10/15/48/900101548.db2.gz FIPZOBJCCBJTQS-SNVBAGLBSA-N 1 2 393.119 3.512 20 10 GHCDLO OCCC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000825337248 900101555 /nfs/dbraw/zinc/10/15/55/900101555.db2.gz FIPZOBJCCBJTQS-SNVBAGLBSA-N 1 2 393.119 3.512 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001144300566 901671591 /nfs/dbraw/zinc/67/15/91/901671591.db2.gz AOJSDZRBYHQHII-UHFFFAOYSA-N 1 2 392.272 3.562 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001144300566 901671598 /nfs/dbraw/zinc/67/15/98/901671598.db2.gz AOJSDZRBYHQHII-UHFFFAOYSA-N 1 2 392.272 3.562 20 10 GHCDLO Oc1c(Br)cccc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000779189880 905238196 /nfs/dbraw/zinc/23/81/96/905238196.db2.gz JKUDBPOGVQWAJI-UHFFFAOYSA-N 1 2 398.688 3.642 20 10 GHCDLO COC1(C)CC[NH+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000779599376 907847406 /nfs/dbraw/zinc/84/74/06/907847406.db2.gz SFOCYWJZZSAMSF-UHFFFAOYSA-N 1 2 393.119 3.918 20 10 GHCDLO C[C@@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773625188 908458030 /nfs/dbraw/zinc/45/80/30/908458030.db2.gz QAAOICBZKLYYPF-UTKZUKDTSA-N 1 2 391.519 3.830 20 10 GHCDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2cccc(OCC)c2O)n1 ZINC000191831836 908682625 /nfs/dbraw/zinc/68/26/25/908682625.db2.gz CXLDLCVCQPHGDC-HNNXBMFYSA-N 1 2 376.478 3.761 20 10 GHCDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2cccc(OCC)c2O)n1 ZINC000191831836 908682637 /nfs/dbraw/zinc/68/26/37/908682637.db2.gz CXLDLCVCQPHGDC-HNNXBMFYSA-N 1 2 376.478 3.761 20 10 GHCDLO CCOc1ccc(O)c(CNC2(c3noc(C[NH+](CC)CC)n3)CCCC2)c1 ZINC000266136127 909015971 /nfs/dbraw/zinc/01/59/71/909015971.db2.gz FRDYFTSIEJMRDD-UHFFFAOYSA-N 1 2 388.512 3.575 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]Cc1ncccc1F ZINC001178629852 909157334 /nfs/dbraw/zinc/15/73/34/909157334.db2.gz VGWYSGRXLWNQMA-UHFFFAOYSA-N 1 2 390.050 3.741 20 10 GHCDLO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)n1 ZINC001180157553 909995215 /nfs/dbraw/zinc/99/52/15/909995215.db2.gz KOVPIPJNEMZIDX-SNVBAGLBSA-N 1 2 386.677 3.879 20 10 GHCDLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)n1 ZINC001180157553 909995226 /nfs/dbraw/zinc/99/52/26/909995226.db2.gz KOVPIPJNEMZIDX-SNVBAGLBSA-N 1 2 386.677 3.879 20 10 GHCDLO C[C@@H]1CN(c2ccc(NCc3ccc(Br)cc3O)c[nH+]2)C[C@H](C)O1 ZINC001181350454 910720586 /nfs/dbraw/zinc/72/05/86/910720586.db2.gz SAQIWBQJAUGUAG-BETUJISGSA-N 1 2 392.297 3.775 20 10 GHCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCN(Cc3ccccc3)C(=O)C2(C)C)cc1 ZINC001182051538 911158853 /nfs/dbraw/zinc/15/88/53/911158853.db2.gz CHASZDKRYKILKY-FLIBITNWSA-N 1 2 377.532 3.889 20 10 GHCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCN(Cc3ccccc3)C(=O)C2(C)C)cc1 ZINC001182051538 911158867 /nfs/dbraw/zinc/15/88/67/911158867.db2.gz CHASZDKRYKILKY-FLIBITNWSA-N 1 2 377.532 3.889 20 10 GHCDLO COc1cccc(C[N@@H+]2CCO[C@H](c3cccc(Br)c3)C2)c1O ZINC000092592046 911636446 /nfs/dbraw/zinc/63/64/46/911636446.db2.gz KXGKPEHOYUMAQT-KRWDZBQOSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cccc(C[N@H+]2CCO[C@H](c3cccc(Br)c3)C2)c1O ZINC000092592046 911636451 /nfs/dbraw/zinc/63/64/51/911636451.db2.gz KXGKPEHOYUMAQT-KRWDZBQOSA-N 1 2 378.266 3.737 20 10 GHCDLO O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900188089 919968598 /nfs/dbraw/zinc/96/85/98/919968598.db2.gz PPKAFSVJHPNITI-UHFFFAOYSA-N 1 2 389.503 3.525 20 10 GHCDLO O=C(Nc1cccc(N2CCCC2)c1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900266562 920085728 /nfs/dbraw/zinc/08/57/28/920085728.db2.gz YSQWIIQAIKYJSZ-UHFFFAOYSA-N 1 2 375.476 3.848 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@H](C)c3ccccc3C)CC2)cc1F ZINC000753857501 929565779 /nfs/dbraw/zinc/56/57/79/929565779.db2.gz MQVNOGBYFAOKLC-QZTJIDSGSA-N 1 2 399.510 3.531 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C[C@@H]1CCCO1 ZINC000757842861 929822802 /nfs/dbraw/zinc/82/28/02/929822802.db2.gz FMUYRSKUHPRKKV-FQEVSTJZSA-N 1 2 398.894 3.808 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C[C@@H]1CCCO1 ZINC000757842861 929822809 /nfs/dbraw/zinc/82/28/09/929822809.db2.gz FMUYRSKUHPRKKV-FQEVSTJZSA-N 1 2 398.894 3.808 20 10 GHCDLO O=C(C[NH+]1CCC2(CNC(=O)O2)CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000782005325 931056760 /nfs/dbraw/zinc/05/67/60/931056760.db2.gz YGLBQEKSGAQCFE-UHFFFAOYSA-N 1 2 393.447 3.615 20 10 GHCDLO O=C1/C(=C\c2cc(-n3cc[nH+]c3)cs2)SC(=S)N1CCc1cccnc1 ZINC000783692726 931620282 /nfs/dbraw/zinc/62/02/82/931620282.db2.gz ARLPTIJPYQVBMA-CXUHLZMHSA-N 1 2 398.538 3.773 20 10 GHCDLO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCc3[nH]ncc32)NC(=O)OC(C)(C)C)cc1 ZINC000796897359 932102440 /nfs/dbraw/zinc/10/24/40/932102440.db2.gz LRHCJSFYSRPDPW-AZUAARDMSA-N 1 2 399.539 3.709 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(Br)cc(F)c1O ZINC000926927334 932352415 /nfs/dbraw/zinc/35/24/15/932352415.db2.gz HIRAXXNFLVGKLF-SSDOTTSWSA-N 1 2 396.182 3.897 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(Br)cc(F)c1O ZINC000927018498 932382914 /nfs/dbraw/zinc/38/29/14/932382914.db2.gz ZNEGUXPNHRBINX-AAEUAGOBSA-N 1 2 388.277 3.673 20 10 GHCDLO Cc1ccc([C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000798088784 932525162 /nfs/dbraw/zinc/52/51/62/932525162.db2.gz VHFRHKMGZBQGCR-XIKOKIGWSA-N 1 2 385.888 3.757 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCCC[C@H]2c2ccnn2C)c(C)n1-c1ccc(F)cn1 ZINC000829449395 935810516 /nfs/dbraw/zinc/81/05/16/935810516.db2.gz XNUFJOSAHRDNNF-FQEVSTJZSA-N 1 2 395.482 3.772 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCCC[C@H]2c2ccnn2C)c(C)n1-c1ccc(F)cn1 ZINC000829449395 935810520 /nfs/dbraw/zinc/81/05/20/935810520.db2.gz XNUFJOSAHRDNNF-FQEVSTJZSA-N 1 2 395.482 3.772 20 10 GHCDLO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3c(O)cc(F)cc3F)C[C@H]21 ZINC001140580842 1022000085 /nfs/dbraw/zinc/00/00/85/1022000085.db2.gz HVHRJJHZRVOAFW-CJNGLKHVSA-N 1 2 399.416 3.982 20 10 GHCDLO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@H]21 ZINC001140580842 1022000102 /nfs/dbraw/zinc/00/01/02/1022000102.db2.gz HVHRJJHZRVOAFW-CJNGLKHVSA-N 1 2 399.416 3.982 20 10 GHCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)Cc1ncccc1C(F)(F)F ZINC001140660616 1022196142 /nfs/dbraw/zinc/19/61/42/1022196142.db2.gz YCCJVEQEZWAFAD-UHFFFAOYSA-N 1 2 383.389 3.708 20 10 GHCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)Cc1ncccc1C(F)(F)F ZINC001140660616 1022196147 /nfs/dbraw/zinc/19/61/47/1022196147.db2.gz YCCJVEQEZWAFAD-UHFFFAOYSA-N 1 2 383.389 3.708 20 10 GHCDLO Cc1c(O)ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1O ZINC001140749612 1022427129 /nfs/dbraw/zinc/42/71/29/1022427129.db2.gz GGLVSOQWXGARIF-SFHVURJKSA-N 1 2 380.410 3.655 20 10 GHCDLO Cc1c(O)ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1O ZINC001140749612 1022427132 /nfs/dbraw/zinc/42/71/32/1022427132.db2.gz GGLVSOQWXGARIF-SFHVURJKSA-N 1 2 380.410 3.655 20 10 GHCDLO CC(C)(C)OC(=O)Nc1cnccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001141087473 1023459256 /nfs/dbraw/zinc/45/92/56/1023459256.db2.gz CMUMFIFEQWRMBM-UHFFFAOYSA-N 1 2 385.464 3.788 20 10 GHCDLO CC(C)(C)OC(=O)Nc1cnccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001141087473 1023459260 /nfs/dbraw/zinc/45/92/60/1023459260.db2.gz CMUMFIFEQWRMBM-UHFFFAOYSA-N 1 2 385.464 3.788 20 10 GHCDLO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Br)cc(Cl)c1O ZINC000756377313 1023618711 /nfs/dbraw/zinc/61/87/11/1023618711.db2.gz SYCCHNILXXQIII-VIFPVBQESA-N 1 2 383.673 3.758 20 10 GHCDLO C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000756474960 1023674349 /nfs/dbraw/zinc/67/43/49/1023674349.db2.gz FEGIKXIFACOKSH-HNNXBMFYSA-N 1 2 388.458 3.945 20 10 GHCDLO Cc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(Br)c2O)[nH]n1 ZINC000756586663 1023723571 /nfs/dbraw/zinc/72/35/71/1023723571.db2.gz UXNRJIJSIRANAR-QMMMGPOBSA-N 1 2 389.091 3.800 20 10 GHCDLO O=S(=O)(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219620 1024393114 /nfs/dbraw/zinc/39/31/14/1024393114.db2.gz KEUFEMPEYGWJDL-JOCHJYFZSA-N 1 2 384.545 3.725 20 10 GHCDLO O=S(=O)(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219620 1024393132 /nfs/dbraw/zinc/39/31/32/1024393132.db2.gz KEUFEMPEYGWJDL-JOCHJYFZSA-N 1 2 384.545 3.725 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC001139128831 1025940379 /nfs/dbraw/zinc/94/03/79/1025940379.db2.gz FWPUYENZFXQYMB-UHFFFAOYSA-N 1 2 398.890 3.778 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(n2ncc3ccccc32)CC1 ZINC001139132709 1025945099 /nfs/dbraw/zinc/94/50/99/1025945099.db2.gz ZKZJXJOLORQWRI-UHFFFAOYSA-N 1 2 389.455 3.994 20 10 GHCDLO Fc1cccc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)n1 ZINC001140135026 1026909630 /nfs/dbraw/zinc/90/96/30/1026909630.db2.gz OAIOIOJNIYJMQP-UHFFFAOYSA-N 1 2 378.451 3.517 20 10 GHCDLO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc(Br)cc(F)c2O)cn1 ZINC001203161726 1027220570 /nfs/dbraw/zinc/22/05/70/1027220570.db2.gz RBJVKHRYKBLILF-LRDDRELGSA-N 1 2 382.277 3.528 20 10 GHCDLO COC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203564846 1027436882 /nfs/dbraw/zinc/43/68/82/1027436882.db2.gz QTRQLEAERZACJA-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO COC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203564846 1027436891 /nfs/dbraw/zinc/43/68/91/1027436891.db2.gz QTRQLEAERZACJA-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001203642471 1027499108 /nfs/dbraw/zinc/49/91/08/1027499108.db2.gz JCIGFUOBKCYRCS-UHFFFAOYSA-N 1 2 396.306 3.951 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC001203642471 1027499116 /nfs/dbraw/zinc/49/91/16/1027499116.db2.gz JCIGFUOBKCYRCS-UHFFFAOYSA-N 1 2 396.306 3.951 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)c(O)c2)[C@H](Cc2ccccc2)C1 ZINC001203882717 1027677533 /nfs/dbraw/zinc/67/75/33/1027677533.db2.gz SMHCAEPLOFRMQG-LJQANCHMSA-N 1 2 398.503 3.762 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)c(O)c2)[C@H](Cc2ccccc2)C1 ZINC001203882717 1027677540 /nfs/dbraw/zinc/67/75/40/1027677540.db2.gz SMHCAEPLOFRMQG-LJQANCHMSA-N 1 2 398.503 3.762 20 10 GHCDLO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203883412 1027678988 /nfs/dbraw/zinc/67/89/88/1027678988.db2.gz KPWPZJIVOXWLQC-AWEZNQCLSA-N 1 2 391.309 3.739 20 10 GHCDLO COC[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001142513159 1029018402 /nfs/dbraw/zinc/01/84/02/1029018402.db2.gz ZPFLHTOHRGWQDF-QGZVFWFLSA-N 1 2 391.462 3.803 20 10 GHCDLO COC[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001142513159 1029018421 /nfs/dbraw/zinc/01/84/21/1029018421.db2.gz ZPFLHTOHRGWQDF-QGZVFWFLSA-N 1 2 391.462 3.803 20 10 GHCDLO COc1ccc(N2CC[C@H](COC(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000842878051 1029655295 /nfs/dbraw/zinc/65/52/95/1029655295.db2.gz GMSHCHZNQBDRDM-KRWDZBQOSA-N 1 2 377.444 3.564 20 10 GHCDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)cc(F)c1O ZINC001276881125 1030523306 /nfs/dbraw/zinc/52/33/06/1030523306.db2.gz IKNUZIWQTCAVGD-HZPDHXFCSA-N 1 2 399.304 3.515 20 10 GHCDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)cc(F)c1O ZINC001276881125 1030523311 /nfs/dbraw/zinc/52/33/11/1030523311.db2.gz IKNUZIWQTCAVGD-HZPDHXFCSA-N 1 2 399.304 3.515 20 10 GHCDLO O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)c12 ZINC001218144156 1030794595 /nfs/dbraw/zinc/79/45/95/1030794595.db2.gz CVIUOZQBBUHZFL-RVKKMQEKSA-N 1 2 393.439 3.638 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388618 1033488651 /nfs/dbraw/zinc/48/86/51/1033488651.db2.gz XRPGGMUVIXQRGE-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388618 1033488653 /nfs/dbraw/zinc/48/86/53/1033488653.db2.gz XRPGGMUVIXQRGE-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001206814791 1033996119 /nfs/dbraw/zinc/99/61/19/1033996119.db2.gz SRXWMJSLFAHZTI-UHFFFAOYSA-N 1 2 387.480 3.643 20 10 GHCDLO Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001206814791 1033996123 /nfs/dbraw/zinc/99/61/23/1033996123.db2.gz SRXWMJSLFAHZTI-UHFFFAOYSA-N 1 2 387.480 3.643 20 10 GHCDLO C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231455075 1034598297 /nfs/dbraw/zinc/59/82/97/1034598297.db2.gz VZQIFNGHHBVPGE-UHFFFAOYSA-N 1 2 388.895 3.840 20 10 GHCDLO C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231455075 1034598304 /nfs/dbraw/zinc/59/83/04/1034598304.db2.gz VZQIFNGHHBVPGE-UHFFFAOYSA-N 1 2 388.895 3.840 20 10 GHCDLO COc1ccc(Br)c(C[N@H+](C)Cc2cccc3c2OCO3)c1O ZINC001231554715 1034708526 /nfs/dbraw/zinc/70/85/26/1034708526.db2.gz BDLLZEDXSGFLIF-UHFFFAOYSA-N 1 2 380.238 3.524 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+](C)Cc2cccc3c2OCO3)c1O ZINC001231554715 1034708538 /nfs/dbraw/zinc/70/85/38/1034708538.db2.gz BDLLZEDXSGFLIF-UHFFFAOYSA-N 1 2 380.238 3.524 20 10 GHCDLO CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231638484 1034795290 /nfs/dbraw/zinc/79/52/90/1034795290.db2.gz CDVZSYBVBBNJHD-QZTJIDSGSA-N 1 2 385.460 3.765 20 10 GHCDLO CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231638484 1034795302 /nfs/dbraw/zinc/79/53/02/1034795302.db2.gz CDVZSYBVBBNJHD-QZTJIDSGSA-N 1 2 385.460 3.765 20 10 GHCDLO Oc1cc(Br)ccc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC001462013962 1069945521 /nfs/dbraw/zinc/94/55/21/1069945521.db2.gz QCKRUWUQFUNHQF-UHFFFAOYSA-N 1 2 382.689 3.525 20 10 GHCDLO COc1ccc(C[N@H+](C)CCc2ccccc2)c(O)c1I ZINC001248476756 1035903771 /nfs/dbraw/zinc/90/37/71/1035903771.db2.gz PBDQMCMWOZBLJE-UHFFFAOYSA-N 1 2 397.256 3.680 20 10 GHCDLO COc1ccc(C[N@@H+](C)CCc2ccccc2)c(O)c1I ZINC001248476756 1035903772 /nfs/dbraw/zinc/90/37/72/1035903772.db2.gz PBDQMCMWOZBLJE-UHFFFAOYSA-N 1 2 397.256 3.680 20 10 GHCDLO COC(=O)c1c(C[N@@H+]2CCc3ccc(C(C)=O)cc3C2)c2ccccc2n1C ZINC001232406101 1038188772 /nfs/dbraw/zinc/18/87/72/1038188772.db2.gz ULXYCVZOLULSJZ-UHFFFAOYSA-N 1 2 376.456 3.726 20 10 GHCDLO COC(=O)c1c(C[N@H+]2CCc3ccc(C(C)=O)cc3C2)c2ccccc2n1C ZINC001232406101 1038188780 /nfs/dbraw/zinc/18/87/80/1038188780.db2.gz ULXYCVZOLULSJZ-UHFFFAOYSA-N 1 2 376.456 3.726 20 10 GHCDLO COC(=O)c1c(C[N@@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)c2ccccc2n1C ZINC001232406073 1038189423 /nfs/dbraw/zinc/18/94/23/1038189423.db2.gz SQUUSKKVTWSPKM-HSZRJFAPSA-N 1 2 396.462 3.852 20 10 GHCDLO COC(=O)c1c(C[N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)c2ccccc2n1C ZINC001232406073 1038189430 /nfs/dbraw/zinc/18/94/30/1038189430.db2.gz SQUUSKKVTWSPKM-HSZRJFAPSA-N 1 2 396.462 3.852 20 10 GHCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+](C)Cc3ccon3)c2)nc1C ZINC001232454195 1038237693 /nfs/dbraw/zinc/23/76/93/1038237693.db2.gz XZIVWVARSCOKQN-UHFFFAOYSA-N 1 2 387.461 3.621 20 10 GHCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+](C)Cc3ccon3)c2)nc1C ZINC001232454195 1038237705 /nfs/dbraw/zinc/23/77/05/1038237705.db2.gz XZIVWVARSCOKQN-UHFFFAOYSA-N 1 2 387.461 3.621 20 10 GHCDLO Cc1cc(Br)cc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1O ZINC001233111459 1038902104 /nfs/dbraw/zinc/90/21/04/1038902104.db2.gz OREBADRKJYSHBI-HNNXBMFYSA-N 1 2 389.284 3.769 20 10 GHCDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233285643 1039062167 /nfs/dbraw/zinc/06/21/67/1039062167.db2.gz NXTZRTTYMJVJKA-UHFFFAOYSA-N 1 2 385.556 3.527 20 10 GHCDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233285643 1039062186 /nfs/dbraw/zinc/06/21/86/1039062186.db2.gz NXTZRTTYMJVJKA-UHFFFAOYSA-N 1 2 385.556 3.527 20 10 GHCDLO Cc1nc(CN2CCC3(C[NH+](Cc4cccc(C(F)(F)F)c4O)C3)C2)cs1 ZINC001233417709 1039277677 /nfs/dbraw/zinc/27/76/77/1039277677.db2.gz FGMXYIGGBJFRDT-UHFFFAOYSA-N 1 2 397.466 3.884 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)CC1=O ZINC001234993864 1040487942 /nfs/dbraw/zinc/48/79/42/1040487942.db2.gz BYZWSZZCBURTBS-UHFFFAOYSA-N 1 2 382.460 3.639 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC1=O ZINC001234993864 1040487960 /nfs/dbraw/zinc/48/79/60/1040487960.db2.gz BYZWSZZCBURTBS-UHFFFAOYSA-N 1 2 382.460 3.639 20 10 GHCDLO COC(=O)c1ccc(C2C[NH+](Cc3cc(Br)cc(F)c3O)C2)cc1 ZINC001235067135 1040558961 /nfs/dbraw/zinc/55/89/61/1040558961.db2.gz QRNPFNLUKUMSSU-UHFFFAOYSA-N 1 2 394.240 3.680 20 10 GHCDLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235075194 1040562952 /nfs/dbraw/zinc/56/29/52/1040562952.db2.gz LFLPZDWGJZRENY-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235075194 1040562970 /nfs/dbraw/zinc/56/29/70/1040562970.db2.gz LFLPZDWGJZRENY-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO CCc1noc([C@@H]2CCC[N@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235303614 1040779864 /nfs/dbraw/zinc/77/98/64/1040779864.db2.gz PJJCRYYGKORNBH-SNVBAGLBSA-N 1 2 384.249 3.619 20 10 GHCDLO CCc1noc([C@@H]2CCC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235303614 1040779882 /nfs/dbraw/zinc/77/98/82/1040779882.db2.gz PJJCRYYGKORNBH-SNVBAGLBSA-N 1 2 384.249 3.619 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001236670815 1041818251 /nfs/dbraw/zinc/81/82/51/1041818251.db2.gz QTBCYDKVJGTXAJ-OAHLLOKOSA-N 1 2 389.284 3.769 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)ccc(Cl)c2Cl)N1CC(F)F ZINC001277995700 1041818754 /nfs/dbraw/zinc/81/87/54/1041818754.db2.gz OSOFCSNOWZWVHB-VXGBXAGGSA-N 1 2 379.234 3.529 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)ccc(Cl)c2Cl)N1CC(F)F ZINC001277995700 1041818757 /nfs/dbraw/zinc/81/87/57/1041818757.db2.gz OSOFCSNOWZWVHB-VXGBXAGGSA-N 1 2 379.234 3.529 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c(Cl)c1 ZINC001236798399 1041901738 /nfs/dbraw/zinc/90/17/38/1041901738.db2.gz NYFZLAHZOGZHDR-UHFFFAOYSA-N 1 2 382.888 3.640 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c(Cl)c1 ZINC001236798399 1041901740 /nfs/dbraw/zinc/90/17/40/1041901740.db2.gz NYFZLAHZOGZHDR-UHFFFAOYSA-N 1 2 382.888 3.640 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)c(O)c1Cl ZINC001236809784 1041910399 /nfs/dbraw/zinc/91/03/99/1041910399.db2.gz OGHPMFVVTKYKNR-OCCSQVGLSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)c(O)c1Cl ZINC001236809784 1041910402 /nfs/dbraw/zinc/91/04/02/1041910402.db2.gz OGHPMFVVTKYKNR-OCCSQVGLSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(O)c1Cl ZINC001236818302 1041914840 /nfs/dbraw/zinc/91/48/40/1041914840.db2.gz LQFJJHZSJYBCFF-AEGPPILISA-N 1 2 396.915 3.789 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(O)c1Cl ZINC001236818302 1041914843 /nfs/dbraw/zinc/91/48/43/1041914843.db2.gz LQFJJHZSJYBCFF-AEGPPILISA-N 1 2 396.915 3.789 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1Br ZINC001237681363 1042322411 /nfs/dbraw/zinc/32/24/11/1042322411.db2.gz SUCOMTDZTAUGNQ-KBPBESRZSA-N 1 2 397.313 3.657 20 10 GHCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@H]1O ZINC001237783200 1042366716 /nfs/dbraw/zinc/36/67/16/1042366716.db2.gz FVEXGRDSOFGZCG-TVQRCGJNSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@H]1O ZINC001237783200 1042366721 /nfs/dbraw/zinc/36/67/21/1042366721.db2.gz FVEXGRDSOFGZCG-TVQRCGJNSA-N 1 2 382.220 3.766 20 10 GHCDLO Oc1c(C[N@@H+]2CC[C@]3(CCCO3)C2)cc(Br)cc1C(F)(F)F ZINC001237784552 1042368471 /nfs/dbraw/zinc/36/84/71/1042368471.db2.gz WLYARWROXJGAHM-CQSZACIVSA-N 1 2 380.204 3.928 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@]3(CCCO3)C2)cc(Br)cc1C(F)(F)F ZINC001237784552 1042368474 /nfs/dbraw/zinc/36/84/74/1042368474.db2.gz WLYARWROXJGAHM-CQSZACIVSA-N 1 2 380.204 3.928 20 10 GHCDLO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)c(N(C)C)cc1F ZINC001308562382 1050010435 /nfs/dbraw/zinc/01/04/35/1050010435.db2.gz ZUMXCQHIUNAOBO-UHFFFAOYSA-N 1 2 398.400 3.874 20 10 GHCDLO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)c(N(C)C)cc1F ZINC001308562382 1050010444 /nfs/dbraw/zinc/01/04/44/1050010444.db2.gz ZUMXCQHIUNAOBO-UHFFFAOYSA-N 1 2 398.400 3.874 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC001308627416 1050039022 /nfs/dbraw/zinc/03/90/22/1050039022.db2.gz KHPMPPRNPXFYLN-NSHDSACASA-N 1 2 382.689 3.978 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC001308627416 1050039026 /nfs/dbraw/zinc/03/90/26/1050039026.db2.gz KHPMPPRNPXFYLN-NSHDSACASA-N 1 2 382.689 3.978 20 10 GHCDLO O=C(CCCc1ccccc1)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001308757479 1050084383 /nfs/dbraw/zinc/08/43/83/1050084383.db2.gz CJQQAQDFOFSWIZ-IBGZPJMESA-N 1 2 388.458 3.774 20 10 GHCDLO O=C(CCCc1ccccc1)N[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001308757479 1050084387 /nfs/dbraw/zinc/08/43/87/1050084387.db2.gz CJQQAQDFOFSWIZ-IBGZPJMESA-N 1 2 388.458 3.774 20 10 GHCDLO CCN(C)c1ccc(C[NH+]2CCN(C(=O)[C@H](C)Oc3ccccc3C)CC2)cc1 ZINC001459483869 1064111426 /nfs/dbraw/zinc/11/14/26/1064111426.db2.gz KTVKZFRNLMMCOJ-FQEVSTJZSA-N 1 2 395.547 3.563 20 10 GHCDLO CC(=O)Nc1ccc(CC[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001200141969 1065339743 /nfs/dbraw/zinc/33/97/43/1065339743.db2.gz NKPHGOZDLBQVPK-UHFFFAOYSA-N 1 2 381.245 3.585 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000052698385 835289108 /nfs/dbraw/zinc/28/91/08/835289108.db2.gz MNPLNVGREZYKFI-UHFFFAOYSA-N 1 2 393.531 3.576 20 10 GHCDLO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756639658 840795308 /nfs/dbraw/zinc/79/53/08/840795308.db2.gz BLIFTMLMUNLASB-JFGNBEQYSA-N 1 2 378.694 3.653 20 10 GHCDLO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000756563838 841620281 /nfs/dbraw/zinc/62/02/81/841620281.db2.gz OHYQUJFTLZYGLP-WDEREUQCSA-N 1 2 378.694 3.512 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000382451981 842138545 /nfs/dbraw/zinc/13/85/45/842138545.db2.gz NNFCBQRQPZRKCS-OCCSQVGLSA-N 1 2 399.329 3.938 20 10 GHCDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc([N+](=O)[O-])cc1 ZINC000272470191 847084967 /nfs/dbraw/zinc/08/49/67/847084967.db2.gz ACWLLNDHGAOVDC-NRFANRHFSA-N 1 2 391.475 3.590 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000894749359 852085133 /nfs/dbraw/zinc/08/51/33/852085133.db2.gz ZXYXZHDMDVJRLG-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000894749359 852085140 /nfs/dbraw/zinc/08/51/40/852085140.db2.gz ZXYXZHDMDVJRLG-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO Cc1cc(Br)cc(C[NH2+][C@H](C)c2noc(COC(C)C)n2)c1O ZINC000290999521 853541499 /nfs/dbraw/zinc/54/14/99/853541499.db2.gz VVWDVQNSSSUEKB-LLVKDONJSA-N 1 2 384.274 3.622 20 10 GHCDLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000760886735 856232585 /nfs/dbraw/zinc/23/25/85/856232585.db2.gz ODYFAJDLOASKFP-BIGNPOOSSA-N 1 2 378.694 3.653 20 10 GHCDLO C[NH+](C)[C@@H](C(=O)NCc1cccc(Br)c1O)c1cccc(Cl)c1 ZINC000765766531 857139645 /nfs/dbraw/zinc/13/96/45/857139645.db2.gz YMTPLZKWAFHKHA-OAHLLOKOSA-N 1 2 397.700 3.727 20 10 GHCDLO Cc1cccc(C[N@@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)c1O ZINC000895601102 859697550 /nfs/dbraw/zinc/69/75/50/859697550.db2.gz XHIWHEVNSCSAJP-UHFFFAOYSA-N 1 2 389.521 3.740 20 10 GHCDLO Cc1cccc(C[N@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)c1O ZINC000895601102 859697554 /nfs/dbraw/zinc/69/75/54/859697554.db2.gz XHIWHEVNSCSAJP-UHFFFAOYSA-N 1 2 389.521 3.740 20 10 GHCDLO CCCc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)s1 ZINC000856718391 881685347 /nfs/dbraw/zinc/68/53/47/881685347.db2.gz LHPAHHWSUCGLTP-SSZFMOIBSA-N 1 2 396.603 3.624 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1nc(CCc2ccccc2)no1)C[C@@H]1CCCO1 ZINC000173354816 864642869 /nfs/dbraw/zinc/64/28/69/864642869.db2.gz VFSAWMFNZXGZQX-FQEVSTJZSA-N 1 2 393.487 3.742 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1nc(CCc2ccccc2)no1)C[C@@H]1CCCO1 ZINC000173354816 864642876 /nfs/dbraw/zinc/64/28/76/864642876.db2.gz VFSAWMFNZXGZQX-FQEVSTJZSA-N 1 2 393.487 3.742 20 10 GHCDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000792984044 881860238 /nfs/dbraw/zinc/86/02/38/881860238.db2.gz IDYCONBKUJYUQV-UHFFFAOYSA-N 1 2 398.457 3.880 20 10 GHCDLO CN(C)c1ccc(C[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c(C(F)(F)F)c1 ZINC000793044975 881892258 /nfs/dbraw/zinc/89/22/58/881892258.db2.gz JKXVBRZVIYISCW-UHFFFAOYSA-N 1 2 375.398 3.846 20 10 GHCDLO CO[C@@]1(C)CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000793215650 882014070 /nfs/dbraw/zinc/01/40/70/882014070.db2.gz DKNWLXTYSCBKLQ-AWEZNQCLSA-N 1 2 393.119 3.918 20 10 GHCDLO CO[C@@]1(C)CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000793215650 882014089 /nfs/dbraw/zinc/01/40/89/882014089.db2.gz DKNWLXTYSCBKLQ-AWEZNQCLSA-N 1 2 393.119 3.918 20 10 GHCDLO COCC1([NH2+]Cc2cc(Br)cc(Br)c2O)CCC1 ZINC000793619109 882336135 /nfs/dbraw/zinc/33/61/35/882336135.db2.gz FCVACQPOVIQEGS-UHFFFAOYSA-N 1 2 379.092 3.576 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3cccc4c3OC(F)(F)O4)CC2)cc1 ZINC001192412846 870381869 /nfs/dbraw/zinc/38/18/69/870381869.db2.gz LKJKVOSAYAWTOY-UHFFFAOYSA-N 1 2 376.403 3.729 20 10 GHCDLO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1c(F)cccc1Cl ZINC000775546132 870629547 /nfs/dbraw/zinc/62/95/47/870629547.db2.gz QZJZELCOKFYPPU-AWEZNQCLSA-N 1 2 377.891 3.854 20 10 GHCDLO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775662241 872471522 /nfs/dbraw/zinc/47/15/22/872471522.db2.gz CBCWDNKCVJBPEE-UHFFFAOYSA-N 1 2 390.886 3.852 20 10 GHCDLO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775662241 872471535 /nfs/dbraw/zinc/47/15/35/872471535.db2.gz CBCWDNKCVJBPEE-UHFFFAOYSA-N 1 2 390.886 3.852 20 10 GHCDLO CCOCC[N@H+](CC)Cc1cc(Br)cc(Br)c1O ZINC000775664915 872485405 /nfs/dbraw/zinc/48/54/05/872485405.db2.gz RDBZZZAMEHHSAZ-UHFFFAOYSA-N 1 2 381.108 3.776 20 10 GHCDLO CCOCC[N@@H+](CC)Cc1cc(Br)cc(Br)c1O ZINC000775664915 872485413 /nfs/dbraw/zinc/48/54/13/872485413.db2.gz RDBZZZAMEHHSAZ-UHFFFAOYSA-N 1 2 381.108 3.776 20 10 GHCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)c1O ZINC000775664359 872505638 /nfs/dbraw/zinc/50/56/38/872505638.db2.gz LZDCJJFXMPOCEL-UHFFFAOYSA-N 1 2 380.822 3.590 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(C)n1-c1ccc(F)cc1 ZINC000767904384 872949734 /nfs/dbraw/zinc/94/97/34/872949734.db2.gz BWLOCBKIQSXPJF-FPOVZHCZSA-N 1 2 388.508 3.622 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(C)n1-c1ccc(F)cc1 ZINC000767904384 872949742 /nfs/dbraw/zinc/94/97/42/872949742.db2.gz BWLOCBKIQSXPJF-FPOVZHCZSA-N 1 2 388.508 3.622 20 10 GHCDLO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775723117 873160307 /nfs/dbraw/zinc/16/03/07/873160307.db2.gz DLSMAMYDNFPADD-NSHDSACASA-N 1 2 396.812 3.808 20 10 GHCDLO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775723117 873160317 /nfs/dbraw/zinc/16/03/17/873160317.db2.gz DLSMAMYDNFPADD-NSHDSACASA-N 1 2 396.812 3.808 20 10 GHCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(Cl)c(Cl)c3)C1)[C@@H](O)CO2 ZINC000768452743 873312648 /nfs/dbraw/zinc/31/26/48/873312648.db2.gz SEEKNOMGYROWGT-HKUYNNGSSA-N 1 2 396.270 3.698 20 10 GHCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(Cl)c(Cl)c3)C1)[C@@H](O)CO2 ZINC000768452743 873312665 /nfs/dbraw/zinc/31/26/65/873312665.db2.gz SEEKNOMGYROWGT-HKUYNNGSSA-N 1 2 396.270 3.698 20 10 GHCDLO O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000769080622 873806807 /nfs/dbraw/zinc/80/68/07/873806807.db2.gz CPOVVARRJJXWEC-NTMALXAHSA-N 1 2 375.428 3.950 20 10 GHCDLO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000769192332 873846052 /nfs/dbraw/zinc/84/60/52/873846052.db2.gz NQHRLANTDQTNHB-GJZGRUSLSA-N 1 2 386.367 3.689 20 10 GHCDLO COc1ccc(N2CCN(c3ccc(Nc4ccc(N)[nH+]c4)cc3)CC2)cc1 ZINC001201291432 875595136 /nfs/dbraw/zinc/59/51/36/875595136.db2.gz HWDFYNOIVXRYNI-UHFFFAOYSA-N 1 2 375.476 3.743 20 10 GHCDLO O=C(NCc1nc(C[NH2+]Cc2cccc(Cl)c2O)cs1)c1ccccc1 ZINC000776232993 875980151 /nfs/dbraw/zinc/98/01/51/875980151.db2.gz ZYNLOUGDLPGMNM-UHFFFAOYSA-N 1 2 387.892 3.722 20 10 GHCDLO CN(C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000109761041 877422478 /nfs/dbraw/zinc/42/24/78/877422478.db2.gz NXVYBOYBWBLBIG-UHFFFAOYSA-N 1 2 395.415 3.559 20 10 GHCDLO CN(C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000109761041 877422484 /nfs/dbraw/zinc/42/24/84/877422484.db2.gz NXVYBOYBWBLBIG-UHFFFAOYSA-N 1 2 395.415 3.559 20 10 GHCDLO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(Br)c1O)CC2 ZINC000179942761 878229316 /nfs/dbraw/zinc/22/93/16/878229316.db2.gz MZYSRWDQQSBWDW-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(Br)c1O)CC2 ZINC000179942761 878229336 /nfs/dbraw/zinc/22/93/36/878229336.db2.gz MZYSRWDQQSBWDW-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606394 912359975 /nfs/dbraw/zinc/35/99/75/912359975.db2.gz FOROBTUYUDYCRV-KSFYIVLOSA-N 1 2 388.458 3.763 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606394 912360007 /nfs/dbraw/zinc/36/00/07/912360007.db2.gz FOROBTUYUDYCRV-KSFYIVLOSA-N 1 2 388.458 3.763 20 10 GHCDLO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000789565783 879075367 /nfs/dbraw/zinc/07/53/67/879075367.db2.gz JGRLMTKKYMHPOV-AWEZNQCLSA-N 1 2 393.119 3.654 20 10 GHCDLO CC[C@@]1(CO)CCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000789565783 879075379 /nfs/dbraw/zinc/07/53/79/879075379.db2.gz JGRLMTKKYMHPOV-AWEZNQCLSA-N 1 2 393.119 3.654 20 10 GHCDLO CC(=O)c1cc(F)cc(C[NH+]2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1O ZINC000854086474 879513041 /nfs/dbraw/zinc/51/30/41/879513041.db2.gz BJJCOSMVNVGCHM-UHFFFAOYSA-N 1 2 399.397 3.697 20 10 GHCDLO Cc1cc(C)c(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)c1 ZINC000790460895 879718194 /nfs/dbraw/zinc/71/81/94/879718194.db2.gz LKMDQVDUYDSTDI-QGZVFWFLSA-N 1 2 394.393 3.581 20 10 GHCDLO Cc1cc(C)c(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)c1 ZINC000790460895 879718205 /nfs/dbraw/zinc/71/82/05/879718205.db2.gz LKMDQVDUYDSTDI-QGZVFWFLSA-N 1 2 394.393 3.581 20 10 GHCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)c1 ZINC000790593298 879849615 /nfs/dbraw/zinc/84/96/15/879849615.db2.gz YZQJIVJZQPOMQB-GZTJUZNOSA-N 1 2 388.489 3.982 20 10 GHCDLO COc1ccc2c(c1)c1c(n2CC(=O)NCc2cc(C)[nH+]c(C)c2)CCCC1 ZINC001130045371 883548430 /nfs/dbraw/zinc/54/84/30/883548430.db2.gz MRIODYCKRHUVKU-UHFFFAOYSA-N 1 2 377.488 3.857 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000860043090 884285049 /nfs/dbraw/zinc/28/50/49/884285049.db2.gz NWULWVASKABUEB-KSFYIVLOSA-N 1 2 390.487 3.826 20 10 GHCDLO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc(Cl)c1O ZINC000806146867 884406748 /nfs/dbraw/zinc/40/67/48/884406748.db2.gz RKOMDKKJKPJBCP-OALUTQOASA-N 1 2 388.895 3.896 20 10 GHCDLO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)NC(=O)OC(C)(C)C ZINC000794825349 888239689 /nfs/dbraw/zinc/23/96/89/888239689.db2.gz MWPATMACLGLZPO-UWVGGRQHSA-N 1 2 391.281 3.858 20 10 GHCDLO CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810228822 888304513 /nfs/dbraw/zinc/30/45/13/888304513.db2.gz LWKIMABNBOKGCE-UHFFFAOYSA-N 1 2 389.253 3.856 20 10 GHCDLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000810256762 888359931 /nfs/dbraw/zinc/35/99/31/888359931.db2.gz GDFINOGXSFAOFK-HRDYMLBCSA-N 1 2 381.108 3.991 20 10 GHCDLO C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1O ZINC000794842668 888423365 /nfs/dbraw/zinc/42/33/65/888423365.db2.gz SBACQMSUXWQERH-XPTSAGLGSA-N 1 2 377.309 3.953 20 10 GHCDLO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(Br)cc(F)c1O ZINC000866565705 888939337 /nfs/dbraw/zinc/93/93/37/888939337.db2.gz PPPVYMQZHZNDIO-SSDOTTSWSA-N 1 2 378.192 3.816 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(N2CCCNC2=O)cc1 ZINC000812801418 890996642 /nfs/dbraw/zinc/99/66/42/890996642.db2.gz UCCNTGNASIXZHO-GFCCVEGCSA-N 1 2 377.847 3.955 20 10 GHCDLO COC(=O)c1cc2[nH+]c[nH]c2c(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001168522805 891103923 /nfs/dbraw/zinc/10/39/23/891103923.db2.gz JNVMSVXVLGHJOQ-UHFFFAOYSA-N 1 2 382.807 3.869 20 10 GHCDLO CC[C@@H](Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1)c1ccc(C)cc1O ZINC000815656246 894071080 /nfs/dbraw/zinc/07/10/80/894071080.db2.gz PELMBZBILGJOMI-GOSISDBHSA-N 1 2 384.480 3.547 20 10 GHCDLO COC(=O)C[N@@H+](Cc1ccccc1-c1ccnn1C)Cc1cc(Cl)ccc1O ZINC000816507140 894884062 /nfs/dbraw/zinc/88/40/62/894884062.db2.gz XKUVKBYVQNDOMC-UHFFFAOYSA-N 1 2 399.878 3.621 20 10 GHCDLO COC(=O)C[N@H+](Cc1ccccc1-c1ccnn1C)Cc1cc(Cl)ccc1O ZINC000816507140 894884066 /nfs/dbraw/zinc/88/40/66/894884066.db2.gz XKUVKBYVQNDOMC-UHFFFAOYSA-N 1 2 399.878 3.621 20 10 GHCDLO COc1ccc([C@H]2COCC[N@H+]2Cc2ccc(N3CCC(OC)CC3)cc2)cc1 ZINC000879737824 895263380 /nfs/dbraw/zinc/26/33/80/895263380.db2.gz KLFDXNNHPRUICL-XMMPIXPASA-N 1 2 396.531 3.884 20 10 GHCDLO COc1ccc([C@H]2COCC[N@@H+]2Cc2ccc(N3CCC(OC)CC3)cc2)cc1 ZINC000879737824 895263385 /nfs/dbraw/zinc/26/33/85/895263385.db2.gz KLFDXNNHPRUICL-XMMPIXPASA-N 1 2 396.531 3.884 20 10 GHCDLO CCc1c(C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]c(C)c1C(C)=O ZINC000131582315 897523873 /nfs/dbraw/zinc/52/38/73/897523873.db2.gz FMFHGSVEWBYPQQ-GOSISDBHSA-N 1 2 398.503 3.658 20 10 GHCDLO CCc1c(C(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]c(C)c1C(C)=O ZINC000131582315 897523880 /nfs/dbraw/zinc/52/38/80/897523880.db2.gz FMFHGSVEWBYPQQ-GOSISDBHSA-N 1 2 398.503 3.658 20 10 GHCDLO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(F)c2O)cc1C ZINC001202676800 899176285 /nfs/dbraw/zinc/17/62/85/899176285.db2.gz QGDKYYZEVMLCSS-MRXNPFEDSA-N 1 2 382.273 3.604 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000824292108 899504543 /nfs/dbraw/zinc/50/45/43/899504543.db2.gz LLESDDVFKOQUJD-UGSOOPFHSA-N 1 2 397.313 3.501 20 10 GHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)cc2Cl)C1 ZINC000844140255 900550602 /nfs/dbraw/zinc/55/06/02/900550602.db2.gz VNSBLUXXVGQNQC-NVXWUHKLSA-N 1 2 386.927 3.652 20 10 GHCDLO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1nc(OC)ccc1Br ZINC001144603793 902469516 /nfs/dbraw/zinc/46/95/16/902469516.db2.gz IWXIALIGAXZGLH-UHFFFAOYSA-N 1 2 378.314 3.941 20 10 GHCDLO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1nc(OC)ccc1Br ZINC001144603793 902469522 /nfs/dbraw/zinc/46/95/22/902469522.db2.gz IWXIALIGAXZGLH-UHFFFAOYSA-N 1 2 378.314 3.941 20 10 GHCDLO CCC[N@H+](Cc1nc2cc(S(=O)(=O)CC)ccc2o1)Cc1ccccc1O ZINC000151158962 904078015 /nfs/dbraw/zinc/07/80/15/904078015.db2.gz CPDOEVKXJICIDZ-UHFFFAOYSA-N 1 2 388.489 3.739 20 10 GHCDLO CCC[N@@H+](Cc1nc2cc(S(=O)(=O)CC)ccc2o1)Cc1ccccc1O ZINC000151158962 904078027 /nfs/dbraw/zinc/07/80/27/904078027.db2.gz CPDOEVKXJICIDZ-UHFFFAOYSA-N 1 2 388.489 3.739 20 10 GHCDLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(N2CCOCC2)cc1Cl ZINC000773034913 904391263 /nfs/dbraw/zinc/39/12/63/904391263.db2.gz JBVNZCNTAMVIAF-MRXNPFEDSA-N 1 2 397.910 3.608 20 10 GHCDLO C[C@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)cc(Br)c1O ZINC000185113028 907714676 /nfs/dbraw/zinc/71/46/76/907714676.db2.gz FUUZARPXUOEKIQ-QMMMGPOBSA-N 1 2 389.091 3.502 20 10 GHCDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2cc(OCC)ccc2O)n1 ZINC000191830733 908680953 /nfs/dbraw/zinc/68/09/53/908680953.db2.gz HJCWEXJANRTAKP-MRXNPFEDSA-N 1 2 376.478 3.761 20 10 GHCDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2cc(OCC)ccc2O)n1 ZINC000191830733 908680960 /nfs/dbraw/zinc/68/09/60/908680960.db2.gz HJCWEXJANRTAKP-MRXNPFEDSA-N 1 2 376.478 3.761 20 10 GHCDLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(N(C)C)c(F)c3)CCCC2)no1 ZINC000266183261 909028529 /nfs/dbraw/zinc/02/85/29/909028529.db2.gz VVBYQVMPGQDOEI-UHFFFAOYSA-N 1 2 389.519 3.676 20 10 GHCDLO COc1cc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c(Cl)cc1O ZINC001179973858 909842915 /nfs/dbraw/zinc/84/29/15/909842915.db2.gz IBBCPLAOWGROFZ-UHFFFAOYSA-N 1 2 380.847 3.524 20 10 GHCDLO CC(=O)c1ccc(N2CC[NH+](C/C=C\c3ccc(N(C)C)cc3)CC2)c(F)c1 ZINC001180453163 910177099 /nfs/dbraw/zinc/17/70/99/910177099.db2.gz VLONMLFAAIFJJL-PLNGDYQASA-N 1 2 381.495 3.930 20 10 GHCDLO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2O)C1 ZINC001181622217 910885434 /nfs/dbraw/zinc/88/54/34/910885434.db2.gz RPQKDWDXGJGLOS-GOEBONIOSA-N 1 2 382.451 3.893 20 10 GHCDLO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2O)C1 ZINC001181622217 910885439 /nfs/dbraw/zinc/88/54/39/910885439.db2.gz RPQKDWDXGJGLOS-GOEBONIOSA-N 1 2 382.451 3.893 20 10 GHCDLO COc1cccc([C@H](C[NH2+]Cc2cccc(Br)c2O)N(C)C)c1 ZINC000098039163 916097691 /nfs/dbraw/zinc/09/76/91/916097691.db2.gz YNHBYUKIWIHHTB-KRWDZBQOSA-N 1 2 379.298 3.556 20 10 GHCDLO CN(C)c1ccc(N=Nc2cccc(C(=O)NCCc3cn(C)c[nH+]3)c2)cc1 ZINC001190974927 917677510 /nfs/dbraw/zinc/67/75/10/917677510.db2.gz UBNOZDLIOWXICW-UHFFFAOYSA-N 1 2 376.464 3.874 20 10 GHCDLO CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1O ZINC000903172689 922829751 /nfs/dbraw/zinc/82/97/51/922829751.db2.gz BGMSDSUKUZNGHB-SFHVURJKSA-N 1 2 396.940 3.678 20 10 GHCDLO OC[C@@]1(C[NH2+]Cc2cccc(Br)c2O)C[C@H]1c1ccc(F)cc1 ZINC000758531462 930073403 /nfs/dbraw/zinc/07/34/03/930073403.db2.gz ZRLIWVPTZOPWCK-YJBOKZPZSA-N 1 2 380.257 3.550 20 10 GHCDLO Cc1cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c(C)n1-c1ccccn1 ZINC000927098155 932410554 /nfs/dbraw/zinc/41/05/54/932410554.db2.gz DEBUWVZLTZSVPI-UHFFFAOYSA-N 1 2 375.476 3.601 20 10 GHCDLO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(Br)c(F)cc1O ZINC000799730384 933101266 /nfs/dbraw/zinc/10/12/66/933101266.db2.gz FBBMMGMQUUQUKC-GXTWGEPZSA-N 1 2 382.273 3.938 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001124044153 935334759 /nfs/dbraw/zinc/33/47/59/935334759.db2.gz QHEVSWRRNZBGAO-UHFFFAOYSA-N 1 2 390.487 3.660 20 10 GHCDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828614340 935676313 /nfs/dbraw/zinc/67/63/13/935676313.db2.gz OHPKXNHGXPEBGR-QFIPXVFZSA-N 1 2 382.552 3.909 20 10 GHCDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828614340 935676315 /nfs/dbraw/zinc/67/63/15/935676315.db2.gz OHPKXNHGXPEBGR-QFIPXVFZSA-N 1 2 382.552 3.909 20 10 GHCDLO C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001226646648 1032061902 /nfs/dbraw/zinc/06/19/02/1032061902.db2.gz DKIZPNJGAXIZCF-LAUBAEHRSA-N 1 2 377.492 3.751 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cc(F)cc(F)c1O ZINC000756456375 1023661811 /nfs/dbraw/zinc/66/18/11/1023661811.db2.gz GSUDMNVKPGEOHC-CQSZACIVSA-N 1 2 376.447 3.730 20 10 GHCDLO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(Br)c(F)cc1O ZINC000756511626 1023692506 /nfs/dbraw/zinc/69/25/06/1023692506.db2.gz XJGLGJRPPLLKJE-GFCCVEGCSA-N 1 2 387.293 3.737 20 10 GHCDLO Oc1c(F)cccc1C[N@@H+]1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001138125126 1024169540 /nfs/dbraw/zinc/16/95/40/1024169540.db2.gz JGIRPELQVLCPSP-UHFFFAOYSA-N 1 2 385.483 3.623 20 10 GHCDLO Oc1c(F)cccc1C[N@H+]1CCc2c(c(COCC3CC3)nn2CC2CC2)C1 ZINC001138125126 1024169548 /nfs/dbraw/zinc/16/95/48/1024169548.db2.gz JGIRPELQVLCPSP-UHFFFAOYSA-N 1 2 385.483 3.623 20 10 GHCDLO Oc1c(F)cccc1C[N@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001138124842 1024169832 /nfs/dbraw/zinc/16/98/32/1024169832.db2.gz AHKQFINBMZHSIW-GOSISDBHSA-N 1 2 385.483 3.664 20 10 GHCDLO Oc1c(F)cccc1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001138124842 1024169837 /nfs/dbraw/zinc/16/98/37/1024169837.db2.gz AHKQFINBMZHSIW-GOSISDBHSA-N 1 2 385.483 3.664 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)Cc1ncccc1C(F)(F)F ZINC001139124476 1025937876 /nfs/dbraw/zinc/93/78/76/1025937876.db2.gz AUZYZORMFNKKNN-UHFFFAOYSA-N 1 2 378.350 3.853 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC001139124476 1025937881 /nfs/dbraw/zinc/93/78/81/1025937881.db2.gz AUZYZORMFNKKNN-UHFFFAOYSA-N 1 2 378.350 3.853 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@@H](COC)C2)cc1 ZINC001203940632 1027735043 /nfs/dbraw/zinc/73/50/43/1027735043.db2.gz SAPVMRBOLOZJNJ-HXUWFJFHSA-N 1 2 382.552 3.885 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@@H](COC)C2)cc1 ZINC001203940632 1027735061 /nfs/dbraw/zinc/73/50/61/1027735061.db2.gz SAPVMRBOLOZJNJ-HXUWFJFHSA-N 1 2 382.552 3.885 20 10 GHCDLO C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000843434646 1030008302 /nfs/dbraw/zinc/00/83/02/1030008302.db2.gz LXSYKOCQXHGACF-WRWORJQWSA-N 1 2 381.133 3.901 20 10 GHCDLO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461619032 1069644023 /nfs/dbraw/zinc/64/40/23/1069644023.db2.gz NEPMSJWAHLCACA-TVQRCGJNSA-N 1 2 395.135 3.804 20 10 GHCDLO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461619029 1069644174 /nfs/dbraw/zinc/64/41/74/1069644174.db2.gz NEPMSJWAHLCACA-RNCFNFMXSA-N 1 2 395.135 3.804 20 10 GHCDLO Oc1ccc(-c2nc(-c3cccc4occc43)no2)cc1C[NH+]1CCOCC1 ZINC001217055876 1030127014 /nfs/dbraw/zinc/12/70/14/1030127014.db2.gz CASYAXYBPWVZPN-UHFFFAOYSA-N 1 2 377.400 3.688 20 10 GHCDLO Oc1ccc(-c2nc(-c3ccc4scnc4c3)no2)cc1C[NH+]1CCOCC1 ZINC001217056933 1030130308 /nfs/dbraw/zinc/13/03/08/1030130308.db2.gz XTGJSNYFBSCOQZ-UHFFFAOYSA-N 1 2 394.456 3.551 20 10 GHCDLO COc1ccc(C[NH2+]Cc2nnc([C@H]3C[C@H]3c3ccc(Cl)cc3)o2)c(O)c1 ZINC001217717512 1030625611 /nfs/dbraw/zinc/62/56/11/1030625611.db2.gz CXCIIVJTDBUXCY-IRXDYDNUSA-N 1 2 385.851 3.998 20 10 GHCDLO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(Br)c1O ZINC001276943952 1030871055 /nfs/dbraw/zinc/87/10/55/1030871055.db2.gz FGACAGYPYFZKEX-HFBAOOFYSA-N 1 2 399.304 3.658 20 10 GHCDLO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(Br)c1O ZINC001276943952 1030871072 /nfs/dbraw/zinc/87/10/72/1030871072.db2.gz FGACAGYPYFZKEX-HFBAOOFYSA-N 1 2 399.304 3.658 20 10 GHCDLO CC1(C)C[NH2+]CC[C@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001218311608 1030886410 /nfs/dbraw/zinc/88/64/10/1030886410.db2.gz MYODBUAETCPWMW-GOSISDBHSA-N 1 2 381.428 3.638 20 10 GHCDLO CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1O ZINC001461873863 1069819537 /nfs/dbraw/zinc/81/95/37/1069819537.db2.gz QRQIEXJUFNHKBS-UHFFFAOYSA-N 1 2 386.801 3.813 20 10 GHCDLO CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1O ZINC001461873863 1069819550 /nfs/dbraw/zinc/81/95/50/1069819550.db2.gz QRQIEXJUFNHKBS-UHFFFAOYSA-N 1 2 386.801 3.813 20 10 GHCDLO COC(=O)[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)CC1CCCC1 ZINC001207748747 1034555285 /nfs/dbraw/zinc/55/52/85/1034555285.db2.gz OGRVKSXIIPCHEJ-CYBMUJFWSA-N 1 2 388.277 3.753 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(F)c(C)c3F)CC2)cc1 ZINC001231477621 1034623055 /nfs/dbraw/zinc/62/30/55/1034623055.db2.gz ARXYHAWXKCLABY-UHFFFAOYSA-N 1 2 376.447 3.621 20 10 GHCDLO CCOc1ncccc1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001231766894 1034897988 /nfs/dbraw/zinc/89/79/88/1034897988.db2.gz MQDGEVSFNBBCHP-UHFFFAOYSA-N 1 2 381.398 3.701 20 10 GHCDLO O=C(Nc1ccccc1)C1=NO[C@@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911215 1034985841 /nfs/dbraw/zinc/98/58/41/1034985841.db2.gz GEHWQKZGBOVCPY-OAQYLSRUSA-N 1 2 399.878 3.795 20 10 GHCDLO O=C(Nc1ccccc1)C1=NO[C@@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911215 1034985848 /nfs/dbraw/zinc/98/58/48/1034985848.db2.gz GEHWQKZGBOVCPY-OAQYLSRUSA-N 1 2 399.878 3.795 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001231911656 1034987244 /nfs/dbraw/zinc/98/72/44/1034987244.db2.gz OKDGPHSYIAQHEE-SLYNCCJLSA-N 1 2 388.895 3.637 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001231911656 1034987248 /nfs/dbraw/zinc/98/72/48/1034987248.db2.gz OKDGPHSYIAQHEE-SLYNCCJLSA-N 1 2 388.895 3.637 20 10 GHCDLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233032333 1038784996 /nfs/dbraw/zinc/78/49/96/1038784996.db2.gz DOHSGCFXNGGUQB-CYBMUJFWSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233032333 1038785007 /nfs/dbraw/zinc/78/50/07/1038785007.db2.gz DOHSGCFXNGGUQB-CYBMUJFWSA-N 1 2 381.245 3.651 20 10 GHCDLO Oc1cnc(Cl)cc1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001233041070 1038796078 /nfs/dbraw/zinc/79/60/78/1038796078.db2.gz QVTXPLZDGMEYEI-UHFFFAOYSA-N 1 2 387.789 3.661 20 10 GHCDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416822 1039273922 /nfs/dbraw/zinc/27/39/22/1039273922.db2.gz XVXJBQPVKKHSTR-UHFFFAOYSA-N 1 2 386.414 3.996 20 10 GHCDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416822 1039273932 /nfs/dbraw/zinc/27/39/32/1039273932.db2.gz XVXJBQPVKKHSTR-UHFFFAOYSA-N 1 2 386.414 3.996 20 10 GHCDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC001234562895 1040130196 /nfs/dbraw/zinc/13/01/96/1040130196.db2.gz XDHALDMYJRUYNJ-NRFANRHFSA-N 1 2 377.440 3.654 20 10 GHCDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC001234562895 1040130202 /nfs/dbraw/zinc/13/02/02/1040130202.db2.gz XDHALDMYJRUYNJ-NRFANRHFSA-N 1 2 377.440 3.654 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc(Br)cc(F)c2O)C[C@H]1c1ccccc1 ZINC001235065405 1040556243 /nfs/dbraw/zinc/55/62/43/1040556243.db2.gz PUXFJMBJLBORRK-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(Br)cc(F)c2O)C[C@H]1c1ccccc1 ZINC001235065405 1040556258 /nfs/dbraw/zinc/55/62/58/1040556258.db2.gz PUXFJMBJLBORRK-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C[C@@H]1C ZINC001235074484 1040563807 /nfs/dbraw/zinc/56/38/07/1040563807.db2.gz IJQXCELVXCDZFP-NWDGAFQWSA-N 1 2 388.277 3.705 20 10 GHCDLO CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C[C@@H]1C ZINC001235074484 1040563821 /nfs/dbraw/zinc/56/38/21/1040563821.db2.gz IJQXCELVXCDZFP-NWDGAFQWSA-N 1 2 388.277 3.705 20 10 GHCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001235236510 1040715947 /nfs/dbraw/zinc/71/59/47/1040715947.db2.gz ONCSJVOFNFTXJY-QFIPXVFZSA-N 1 2 380.536 3.859 20 10 GHCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001235236510 1040715965 /nfs/dbraw/zinc/71/59/65/1040715965.db2.gz ONCSJVOFNFTXJY-QFIPXVFZSA-N 1 2 380.536 3.859 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001235302382 1040775730 /nfs/dbraw/zinc/77/57/30/1040775730.db2.gz PPRLXJRDTRPPNB-UHFFFAOYSA-N 1 2 395.272 3.870 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001235302382 1040775745 /nfs/dbraw/zinc/77/57/45/1040775745.db2.gz PPRLXJRDTRPPNB-UHFFFAOYSA-N 1 2 395.272 3.870 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)Cc2nnn(CC3CC3)c21 ZINC001235678453 1041139406 /nfs/dbraw/zinc/13/94/06/1041139406.db2.gz CKPYWTSAZMLLRD-GOSISDBHSA-N 1 2 398.551 3.827 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)Cc2nnn(CC3CC3)c21 ZINC001235678453 1041139414 /nfs/dbraw/zinc/13/94/14/1041139414.db2.gz CKPYWTSAZMLLRD-GOSISDBHSA-N 1 2 398.551 3.827 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001236794776 1041899385 /nfs/dbraw/zinc/89/93/85/1041899385.db2.gz ZNSPFVWMYZDWHM-IFXJQAMLSA-N 1 2 397.302 3.625 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[N@@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001236794776 1041899393 /nfs/dbraw/zinc/89/93/93/1041899393.db2.gz ZNSPFVWMYZDWHM-IFXJQAMLSA-N 1 2 397.302 3.625 20 10 GHCDLO O=c1oc2ccccc2n1C1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237125510 1042052664 /nfs/dbraw/zinc/05/26/64/1042052664.db2.gz DACCAHCVEHBNBA-UHFFFAOYSA-N 1 2 376.815 3.930 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001237125891 1042054188 /nfs/dbraw/zinc/05/41/88/1042054188.db2.gz RFWSSVLLFPTVPZ-INIZCTEOSA-N 1 2 394.384 3.986 20 10 GHCDLO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237617639 1042283899 /nfs/dbraw/zinc/28/38/99/1042283899.db2.gz BROKMZVRVUFGMQ-QGZVFWFLSA-N 1 2 388.870 3.823 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237619456 1042286095 /nfs/dbraw/zinc/28/60/95/1042286095.db2.gz QGVKPXNHOYRHIV-SFHVURJKSA-N 1 2 380.872 3.875 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@]12CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237619456 1042286102 /nfs/dbraw/zinc/28/61/02/1042286102.db2.gz QGVKPXNHOYRHIV-SFHVURJKSA-N 1 2 380.872 3.875 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001237619194 1042286615 /nfs/dbraw/zinc/28/66/15/1042286615.db2.gz PCCQYOKDIACVHR-AWEZNQCLSA-N 1 2 377.847 3.513 20 10 GHCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c1O ZINC001237690319 1042328932 /nfs/dbraw/zinc/32/89/32/1042328932.db2.gz WECXZIRSNVSURJ-UHFFFAOYSA-N 1 2 379.287 3.965 20 10 GHCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@@H]1O ZINC001237783202 1042366168 /nfs/dbraw/zinc/36/61/68/1042366168.db2.gz FVEXGRDSOFGZCG-ZANVPECISA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@@H]1O ZINC001237783202 1042366173 /nfs/dbraw/zinc/36/61/73/1042366173.db2.gz FVEXGRDSOFGZCG-ZANVPECISA-N 1 2 382.220 3.766 20 10 GHCDLO COc1ccc(CC[N@H+](C)Cc2cccc(I)c2O)cc1 ZINC001237781349 1042366384 /nfs/dbraw/zinc/36/63/84/1042366384.db2.gz VAOSCKAPHCHJCC-UHFFFAOYSA-N 1 2 397.256 3.680 20 10 GHCDLO COc1ccc(CC[N@@H+](C)Cc2cccc(I)c2O)cc1 ZINC001237781349 1042366390 /nfs/dbraw/zinc/36/63/90/1042366390.db2.gz VAOSCKAPHCHJCC-UHFFFAOYSA-N 1 2 397.256 3.680 20 10 GHCDLO OC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001237783488 1042367587 /nfs/dbraw/zinc/36/75/87/1042367587.db2.gz JFJBJJLAULRKCK-SNVBAGLBSA-N 1 2 382.220 3.768 20 10 GHCDLO OC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001237783488 1042367592 /nfs/dbraw/zinc/36/75/92/1042367592.db2.gz JFJBJJLAULRKCK-SNVBAGLBSA-N 1 2 382.220 3.768 20 10 GHCDLO C[C@H]1CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)[C@@H]1CO ZINC001237784955 1042368090 /nfs/dbraw/zinc/36/80/90/1042368090.db2.gz ZPHRXMZICWUCQA-TVQRCGJNSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)[C@@H]1CO ZINC001237784955 1042368092 /nfs/dbraw/zinc/36/80/92/1042368092.db2.gz ZPHRXMZICWUCQA-TVQRCGJNSA-N 1 2 382.220 3.766 20 10 GHCDLO Oc1c(I)cccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001237788117 1042369875 /nfs/dbraw/zinc/36/98/75/1042369875.db2.gz WBGHCOYMKWZDHV-HNNXBMFYSA-N 1 2 380.229 3.729 20 10 GHCDLO Oc1c(I)cccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001237788117 1042369881 /nfs/dbraw/zinc/36/98/81/1042369881.db2.gz WBGHCOYMKWZDHV-HNNXBMFYSA-N 1 2 380.229 3.729 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001237936979 1042428354 /nfs/dbraw/zinc/42/83/54/1042428354.db2.gz LVBCTIJCHAESSD-OMWUSAIZSA-N 1 2 392.858 3.638 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001237936979 1042428355 /nfs/dbraw/zinc/42/83/55/1042428355.db2.gz LVBCTIJCHAESSD-OMWUSAIZSA-N 1 2 392.858 3.638 20 10 GHCDLO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237938450 1042428769 /nfs/dbraw/zinc/42/87/69/1042428769.db2.gz ZAYJZSMBHLYTGJ-SCLBCKFNSA-N 1 2 392.833 3.670 20 10 GHCDLO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@H+](Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237938450 1042428771 /nfs/dbraw/zinc/42/87/71/1042428771.db2.gz ZAYJZSMBHLYTGJ-SCLBCKFNSA-N 1 2 392.833 3.670 20 10 GHCDLO CN(Cc1ccccc1O)c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001263499969 1046910256 /nfs/dbraw/zinc/91/02/56/1046910256.db2.gz VGWNQNFAMUCMOC-GOSISDBHSA-N 1 2 397.548 3.887 20 10 GHCDLO CN(Cc1ccccc1O)c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001263499969 1046910260 /nfs/dbraw/zinc/91/02/60/1046910260.db2.gz VGWNQNFAMUCMOC-GOSISDBHSA-N 1 2 397.548 3.887 20 10 GHCDLO Cc1cc(O)c(CN2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)cc1Cl ZINC001279433649 1047805092 /nfs/dbraw/zinc/80/50/92/1047805092.db2.gz YMNVZKFKLZVICG-GASCZTMLSA-N 1 2 392.849 3.582 20 10 GHCDLO Cc1cc(O)c(CN2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)cc1Cl ZINC001279433649 1047805100 /nfs/dbraw/zinc/80/51/00/1047805100.db2.gz YMNVZKFKLZVICG-GASCZTMLSA-N 1 2 392.849 3.582 20 10 GHCDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1CCCc1ccccc1 ZINC001308304422 1049943896 /nfs/dbraw/zinc/94/38/96/1049943896.db2.gz ZOHWJZYQMPHSFP-SFHVURJKSA-N 1 2 376.859 3.508 20 10 GHCDLO COc1ccc(N(C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1Cl ZINC001308676212 1050056206 /nfs/dbraw/zinc/05/62/06/1050056206.db2.gz FHMJKDYZTJMNQQ-UHFFFAOYSA-N 1 2 390.911 3.696 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3CC)CC2)cc1 ZINC001320366523 1055772937 /nfs/dbraw/zinc/77/29/37/1055772937.db2.gz RWTZVXRFTPEZCH-SFHVURJKSA-N 1 2 381.520 3.797 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001342093109 1061053693 /nfs/dbraw/zinc/05/36/93/1061053693.db2.gz WLBHYFLGEPGXDR-UHFFFAOYSA-N 1 2 377.238 3.930 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001342093109 1061053704 /nfs/dbraw/zinc/05/37/04/1061053704.db2.gz WLBHYFLGEPGXDR-UHFFFAOYSA-N 1 2 377.238 3.930 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)c1 ZINC001454887522 1061951847 /nfs/dbraw/zinc/95/18/47/1061951847.db2.gz YHKDEWKKFLDGGK-HSZRJFAPSA-N 1 2 387.483 3.823 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)c1 ZINC001454887522 1061951850 /nfs/dbraw/zinc/95/18/50/1061951850.db2.gz YHKDEWKKFLDGGK-HSZRJFAPSA-N 1 2 387.483 3.823 20 10 GHCDLO CCOc1ccc(N2CC[NH+](CC(=O)NCCCC3CCCCC3)CC2)cc1 ZINC001459794202 1064220616 /nfs/dbraw/zinc/22/06/16/1064220616.db2.gz CFRHCYFKGUVALK-UHFFFAOYSA-N 1 2 387.568 3.684 20 10 GHCDLO CC(C)Oc1ccc([C@H](O)C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001474003628 1074232896 /nfs/dbraw/zinc/23/28/96/1074232896.db2.gz YSWHLMSCYBKRTA-QGZVFWFLSA-N 1 2 398.272 3.904 20 10 GHCDLO CN(C)c1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000161729704 834426193 /nfs/dbraw/zinc/42/61/93/834426193.db2.gz WHMLPDUWPFHSDE-VXKWHMMOSA-N 1 2 389.503 3.677 20 10 GHCDLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1ccco1)Cc1ccccc1O ZINC000177775131 837186645 /nfs/dbraw/zinc/18/66/45/837186645.db2.gz XQQUTAWXFQMFNC-UHFFFAOYSA-N 1 2 376.416 3.545 20 10 GHCDLO Cc1ccccc1-c1noc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000015571774 846521587 /nfs/dbraw/zinc/52/15/87/846521587.db2.gz YONJORKOSDXNTO-UHFFFAOYSA-N 1 2 378.476 3.514 20 10 GHCDLO Cc1ccccc1-c1noc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000015571774 846521594 /nfs/dbraw/zinc/52/15/94/846521594.db2.gz YONJORKOSDXNTO-UHFFFAOYSA-N 1 2 378.476 3.514 20 10 GHCDLO C[C@H]1CN(c2ccc(CNc3nc(N)c4ccccc4[nH+]3)cc2F)C[C@H](C)O1 ZINC000764123829 859212051 /nfs/dbraw/zinc/21/20/51/859212051.db2.gz NUCSFGGNDMSFAR-KBPBESRZSA-N 1 2 381.455 3.577 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(Cc2ccccc2)no1 ZINC000743475237 868223615 /nfs/dbraw/zinc/22/36/15/868223615.db2.gz ZRMUIKBQSYYBRL-ZWKOTPCHSA-N 1 2 392.503 3.909 20 10 GHCDLO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Br)cc(Cl)c1O ZINC000793576815 882282292 /nfs/dbraw/zinc/28/22/92/882282292.db2.gz ZDEAIUCEBKYCGW-NURSFMCSSA-N 1 2 394.737 3.617 20 10 GHCDLO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000809702065 887684858 /nfs/dbraw/zinc/68/48/58/887684858.db2.gz CICKFBFLPMBCKB-RDDDGLTNSA-N 1 2 381.133 3.758 20 10 GHCDLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(Br)cc(C)c2O)n1 ZINC000775723866 873169558 /nfs/dbraw/zinc/16/95/58/873169558.db2.gz DPLCJVSJZNNROJ-NSHDSACASA-N 1 2 384.274 3.576 20 10 GHCDLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(Br)cc(C)c2O)n1 ZINC000775723866 873169568 /nfs/dbraw/zinc/16/95/68/873169568.db2.gz DPLCJVSJZNNROJ-NSHDSACASA-N 1 2 384.274 3.576 20 10 GHCDLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000768225618 873176786 /nfs/dbraw/zinc/17/67/86/873176786.db2.gz JDALZHDWPJKPSY-UHFFFAOYSA-N 1 2 390.277 3.955 20 10 GHCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000768237509 873186163 /nfs/dbraw/zinc/18/61/63/873186163.db2.gz OWNRFDBDYJKWAA-UHFFFAOYSA-N 1 2 395.286 3.666 20 10 GHCDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000768247592 873188072 /nfs/dbraw/zinc/18/80/72/873188072.db2.gz BYPXCISNKMVIDM-ZDUSSCGKSA-N 1 2 385.302 3.596 20 10 GHCDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000768247592 873188078 /nfs/dbraw/zinc/18/80/78/873188078.db2.gz BYPXCISNKMVIDM-ZDUSSCGKSA-N 1 2 385.302 3.596 20 10 GHCDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)Cc1cccc(C)c1O ZINC000775746971 873438902 /nfs/dbraw/zinc/43/89/02/873438902.db2.gz IYNPWTFKCQNUMI-MRXNPFEDSA-N 1 2 378.266 3.809 20 10 GHCDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)Cc1cccc(C)c1O ZINC000775746971 873438905 /nfs/dbraw/zinc/43/89/05/873438905.db2.gz IYNPWTFKCQNUMI-MRXNPFEDSA-N 1 2 378.266 3.809 20 10 GHCDLO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000527771511 873583766 /nfs/dbraw/zinc/58/37/66/873583766.db2.gz GHTVOCGFZMSGHW-INIZCTEOSA-N 1 2 391.309 3.527 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(Br)cc(F)c1O ZINC000528001532 873870769 /nfs/dbraw/zinc/87/07/69/873870769.db2.gz JZYIRQHSBJXESF-HWPZZCPQSA-N 1 2 393.256 3.771 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)cc1F ZINC000770298782 874583198 /nfs/dbraw/zinc/58/31/98/874583198.db2.gz CKBIUNMWNIRHDV-UHFFFAOYSA-N 1 2 384.373 3.897 20 10 GHCDLO Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000776220635 875907683 /nfs/dbraw/zinc/90/76/83/875907683.db2.gz XZNFVGJQRPPMPT-MRXNPFEDSA-N 1 2 386.839 3.761 20 10 GHCDLO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000786581941 876769925 /nfs/dbraw/zinc/76/99/25/876769925.db2.gz JQQSXPSAYHZZTJ-WFASDCNBSA-N 1 2 382.273 3.856 20 10 GHCDLO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)c1 ZINC000786574844 876806702 /nfs/dbraw/zinc/80/67/02/876806702.db2.gz HCVDZPUTWKERLE-IUODEOHRSA-N 1 2 382.273 3.856 20 10 GHCDLO CN(C)c1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1F ZINC000746708732 877697942 /nfs/dbraw/zinc/69/79/42/877697942.db2.gz UIGYPKYGZTVCLG-UHFFFAOYSA-N 1 2 391.516 3.656 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCC(C)(O)CC4)nc[nH+]3)cc2)CC1 ZINC000853300114 878959262 /nfs/dbraw/zinc/95/92/62/878959262.db2.gz BPZJUQDQNKEEPY-UHFFFAOYSA-N 1 2 395.551 3.676 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCC(C)(O)CC4)[nH+]cn3)cc2)CC1 ZINC000853300114 878959276 /nfs/dbraw/zinc/95/92/76/878959276.db2.gz BPZJUQDQNKEEPY-UHFFFAOYSA-N 1 2 395.551 3.676 20 10 GHCDLO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(Br)cc(F)c1O ZINC000184989580 883409171 /nfs/dbraw/zinc/40/91/71/883409171.db2.gz WTTYDJPDZPDXNZ-LLVKDONJSA-N 1 2 391.244 3.725 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000154897613 884879970 /nfs/dbraw/zinc/87/99/70/884879970.db2.gz IAJKQHICIIPYAX-CYBMUJFWSA-N 1 2 385.302 3.644 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000154897613 884879985 /nfs/dbraw/zinc/87/99/85/884879985.db2.gz IAJKQHICIIPYAX-CYBMUJFWSA-N 1 2 385.302 3.644 20 10 GHCDLO COc1cccc([C@H]2C[N@H+](Cc3c(O)cccc3Br)CCO2)c1 ZINC000862239040 886238064 /nfs/dbraw/zinc/23/80/64/886238064.db2.gz SNQRYJBVMJDONW-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cccc([C@H]2C[N@@H+](Cc3c(O)cccc3Br)CCO2)c1 ZINC000862239040 886238080 /nfs/dbraw/zinc/23/80/80/886238080.db2.gz SNQRYJBVMJDONW-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1cccc(I)c1F)CC2 ZINC001235485446 887383488 /nfs/dbraw/zinc/38/34/88/887383488.db2.gz VCSTZJVBKJQPQH-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1cccc(I)c1F)CC2 ZINC001235485446 887383498 /nfs/dbraw/zinc/38/34/98/887383498.db2.gz VCSTZJVBKJQPQH-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000863949414 887478085 /nfs/dbraw/zinc/47/80/85/887478085.db2.gz HAMXAZLQDPJZNB-QHCPKHFHSA-N 1 2 377.532 3.967 20 10 GHCDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000863949414 887478099 /nfs/dbraw/zinc/47/80/99/887478099.db2.gz HAMXAZLQDPJZNB-QHCPKHFHSA-N 1 2 377.532 3.967 20 10 GHCDLO COc1cc(Br)cc(C[N@H+](CCN(C)C)Cc2ccccc2)c1O ZINC000809728013 887709726 /nfs/dbraw/zinc/70/97/26/887709726.db2.gz HSHOKDIKJNOWJA-UHFFFAOYSA-N 1 2 393.325 3.727 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+](CCN(C)C)Cc2ccccc2)c1O ZINC000809728013 887709736 /nfs/dbraw/zinc/70/97/36/887709736.db2.gz HSHOKDIKJNOWJA-UHFFFAOYSA-N 1 2 393.325 3.727 20 10 GHCDLO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1O ZINC000287578073 913419418 /nfs/dbraw/zinc/41/94/18/913419418.db2.gz HFEQDCHHEGZOME-QGZVFWFLSA-N 1 2 382.913 3.537 20 10 GHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)N[C@H]1CCOc2ccccc21 ZINC000123356795 890542337 /nfs/dbraw/zinc/54/23/37/890542337.db2.gz PRVPFNJLCRWRCW-FQEVSTJZSA-N 1 2 392.455 3.627 20 10 GHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)N[C@H]1CCOc2ccccc21 ZINC000123356795 890542346 /nfs/dbraw/zinc/54/23/46/890542346.db2.gz PRVPFNJLCRWRCW-FQEVSTJZSA-N 1 2 392.455 3.627 20 10 GHCDLO CCCC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000917110451 891273962 /nfs/dbraw/zinc/27/39/62/891273962.db2.gz TZRDIZMIGFABMX-UHFFFAOYSA-N 1 2 381.520 3.658 20 10 GHCDLO COc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1Cn1cccn1 ZINC000873173974 891500746 /nfs/dbraw/zinc/50/07/46/891500746.db2.gz GDIUNLWXXZMVTG-UHFFFAOYSA-N 1 2 380.492 3.733 20 10 GHCDLO CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cccc(Cl)c1O ZINC000287854660 913565776 /nfs/dbraw/zinc/56/57/76/913565776.db2.gz XAWLMPXSUSWZRK-RDTXWAMCSA-N 1 2 375.900 3.907 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)c(Cl)c1 ZINC001275370960 913592799 /nfs/dbraw/zinc/59/27/99/913592799.db2.gz TWPPRPIXHHINGR-QGZVFWFLSA-N 1 2 389.849 3.535 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)c(Cl)c1 ZINC001275370960 913592808 /nfs/dbraw/zinc/59/28/08/913592808.db2.gz TWPPRPIXHHINGR-QGZVFWFLSA-N 1 2 389.849 3.535 20 10 GHCDLO Oc1ccc2ccccc2c1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000129130072 896411592 /nfs/dbraw/zinc/41/15/92/896411592.db2.gz MDLOCXTVBMUEEZ-UHFFFAOYSA-N 1 2 382.426 3.632 20 10 GHCDLO CC(C)[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1nnc2ccccn21 ZINC000882957075 897143881 /nfs/dbraw/zinc/14/38/81/897143881.db2.gz VSKUQSNAWAXHKZ-OAHLLOKOSA-N 1 2 393.260 3.823 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000844401728 900799157 /nfs/dbraw/zinc/79/91/57/900799157.db2.gz PAFHVWBZOVODCR-QGZVFWFLSA-N 1 2 380.492 3.798 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000844401728 900799163 /nfs/dbraw/zinc/79/91/63/900799163.db2.gz PAFHVWBZOVODCR-QGZVFWFLSA-N 1 2 380.492 3.798 20 10 GHCDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000845080246 901731603 /nfs/dbraw/zinc/73/16/03/901731603.db2.gz NGTFWQGVAAAOIG-SJLPKXTDSA-N 1 2 395.837 3.568 20 10 GHCDLO C[N@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000845080246 901731607 /nfs/dbraw/zinc/73/16/07/901731607.db2.gz NGTFWQGVAAAOIG-SJLPKXTDSA-N 1 2 395.837 3.568 20 10 GHCDLO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000889558566 904642930 /nfs/dbraw/zinc/64/29/30/904642930.db2.gz QJSVAADNDXNAFR-BZUAXINKSA-N 1 2 384.480 3.579 20 10 GHCDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000077172240 905657377 /nfs/dbraw/zinc/65/73/77/905657377.db2.gz NTRHJAOWNKXAMW-MRXNPFEDSA-N 1 2 375.538 3.709 20 10 GHCDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000077172240 905657385 /nfs/dbraw/zinc/65/73/85/905657385.db2.gz NTRHJAOWNKXAMW-MRXNPFEDSA-N 1 2 375.538 3.709 20 10 GHCDLO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000184960345 907687915 /nfs/dbraw/zinc/68/79/15/907687915.db2.gz AHRUWZWANJAIFS-QKKBWIMNSA-N 1 2 397.475 3.592 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000194406880 908879129 /nfs/dbraw/zinc/87/91/29/908879129.db2.gz CZRAHXBLEXBWFW-UHFFFAOYSA-N 1 2 381.524 3.527 20 10 GHCDLO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)NC(=O)OC(C)(C)C ZINC000195142439 908972992 /nfs/dbraw/zinc/97/29/92/908972992.db2.gz AVCXWEPFDRMEHK-UWVGGRQHSA-N 1 2 391.281 3.858 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC001179159261 909405724 /nfs/dbraw/zinc/40/57/24/909405724.db2.gz KVPPCDVPXCDBHX-UHFFFAOYSA-N 1 2 389.902 3.629 20 10 GHCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCC1 ZINC000651210008 917516067 /nfs/dbraw/zinc/51/60/67/917516067.db2.gz YHRUFSQRWPEHDS-UHFFFAOYSA-N 1 2 392.503 3.589 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+](C)Cc3nc4ccccc4c(=O)[nH]3)cc2)CC1 ZINC000827390961 925414455 /nfs/dbraw/zinc/41/44/55/925414455.db2.gz VUWWSNNAXPUEMR-UHFFFAOYSA-N 1 2 392.503 3.583 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+](C)Cc3nc4ccccc4c(=O)[nH]3)cc2)CC1 ZINC000827390961 925414474 /nfs/dbraw/zinc/41/44/74/925414474.db2.gz VUWWSNNAXPUEMR-UHFFFAOYSA-N 1 2 392.503 3.583 20 10 GHCDLO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000753575132 929426525 /nfs/dbraw/zinc/42/65/25/929426525.db2.gz GKGNWNVSYXQRJC-OQPBUACISA-N 1 2 379.092 3.574 20 10 GHCDLO C[C@@]1([NH2+]Cc2cc(Br)cc(Br)c2O)CCCOC1 ZINC000777508414 931310114 /nfs/dbraw/zinc/31/01/14/931310114.db2.gz ZBNBBMCYBAOIGI-CYBMUJFWSA-N 1 2 379.092 3.576 20 10 GHCDLO C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(N)cc1 ZINC000783486912 931560581 /nfs/dbraw/zinc/56/05/81/931560581.db2.gz RROODAKUELTINW-MRXNPFEDSA-N 1 2 399.454 3.649 20 10 GHCDLO COc1ccc(CNc2cc[nH+]c3c(Br)ccc(F)c23)c(O)c1 ZINC000799961907 933191181 /nfs/dbraw/zinc/19/11/81/933191181.db2.gz GZXFAULSAYFKGS-UHFFFAOYSA-N 1 2 377.213 3.885 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](c3noc(C)n3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000931939443 934770445 /nfs/dbraw/zinc/77/04/45/934770445.db2.gz GLYLOFSUNQFEIS-OAHLLOKOSA-N 1 2 399.882 3.506 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000931939443 934770451 /nfs/dbraw/zinc/77/04/51/934770451.db2.gz GLYLOFSUNQFEIS-OAHLLOKOSA-N 1 2 399.882 3.506 20 10 GHCDLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)ccc1N1CCCCC1 ZINC000828059217 935571238 /nfs/dbraw/zinc/57/12/38/935571238.db2.gz OAEQAMXVNQBXNF-UNMCSNQZSA-N 1 2 384.520 3.903 20 10 GHCDLO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)ccc1N1CCCCC1 ZINC000828059217 935571240 /nfs/dbraw/zinc/57/12/40/935571240.db2.gz OAEQAMXVNQBXNF-UNMCSNQZSA-N 1 2 384.520 3.903 20 10 GHCDLO Cc1cc(C(=O)CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828321751 935612122 /nfs/dbraw/zinc/61/21/22/935612122.db2.gz GTPBLLOIFJZSEQ-MRXNPFEDSA-N 1 2 397.910 3.928 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2c(O)cccc2F)C[C@@H]1C(F)(F)F ZINC001137840351 935817850 /nfs/dbraw/zinc/81/78/50/935817850.db2.gz YMZBWTHHMDNOGZ-JSGCOSHPSA-N 1 2 392.393 3.809 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2c(O)cccc2F)C[C@@H]1C(F)(F)F ZINC001137840351 935817853 /nfs/dbraw/zinc/81/78/53/935817853.db2.gz YMZBWTHHMDNOGZ-JSGCOSHPSA-N 1 2 392.393 3.809 20 10 GHCDLO C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593218845 994292285 /nfs/dbraw/zinc/29/22/85/994292285.db2.gz IGRDMEDSMDLCAM-QGLTVNCISA-N 1 2 386.414 3.546 20 10 GHCDLO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000800901110 1021348380 /nfs/dbraw/zinc/34/83/80/1021348380.db2.gz CCULXAQTSOLPQE-HNNXBMFYSA-N 1 2 390.281 3.551 20 10 GHCDLO COCC[N@H+](Cc1ccc(C)o1)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001204566312 1032977196 /nfs/dbraw/zinc/97/71/96/1032977196.db2.gz UWEAECNSRBBHIT-UHFFFAOYSA-N 1 2 388.439 3.654 20 10 GHCDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001204566312 1032977198 /nfs/dbraw/zinc/97/71/98/1032977198.db2.gz UWEAECNSRBBHIT-UHFFFAOYSA-N 1 2 388.439 3.654 20 10 GHCDLO Oc1c(F)cccc1C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC001204592369 1032987068 /nfs/dbraw/zinc/98/70/68/1032987068.db2.gz MZOHLEHWFNUMOP-UHFFFAOYSA-N 1 2 397.263 3.751 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(C)n1-c1ccccc1C ZINC000748834693 1021724047 /nfs/dbraw/zinc/72/40/47/1021724047.db2.gz ZGUBQNLHPNCLLS-NRFANRHFSA-N 1 2 396.531 3.855 20 10 GHCDLO CC[C@H]1[N@H+](Cc2c(O)cc(F)cc2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001140581467 1022002387 /nfs/dbraw/zinc/00/23/87/1022002387.db2.gz SPMZKFRRUBZTRX-CTNGQTDRSA-N 1 2 378.463 3.816 20 10 GHCDLO CC[C@H]1[N@@H+](Cc2c(O)cc(F)cc2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001140581467 1022002397 /nfs/dbraw/zinc/00/23/97/1022002397.db2.gz SPMZKFRRUBZTRX-CTNGQTDRSA-N 1 2 378.463 3.816 20 10 GHCDLO COc1cc(O)c(C[NH+]2CC(Oc3ccccc3C(F)(F)F)C2)c(OC)c1 ZINC001141028568 1023276898 /nfs/dbraw/zinc/27/68/98/1023276898.db2.gz UXRUJRJBMWWCDS-UHFFFAOYSA-N 1 2 383.366 3.691 20 10 GHCDLO C[N@H+](Cc1ccccc1O)Cc1cc(Br)cnc1Br ZINC001141124305 1023545694 /nfs/dbraw/zinc/54/56/94/1023545694.db2.gz BWZRRBQDZKXHNF-UHFFFAOYSA-N 1 2 386.087 3.944 20 10 GHCDLO C[N@@H+](Cc1ccccc1O)Cc1cc(Br)cnc1Br ZINC001141124305 1023545700 /nfs/dbraw/zinc/54/57/00/1023545700.db2.gz BWZRRBQDZKXHNF-UHFFFAOYSA-N 1 2 386.087 3.944 20 10 GHCDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000756326186 1023591253 /nfs/dbraw/zinc/59/12/53/1023591253.db2.gz HCIVDDIVBRPJPT-QGZVFWFLSA-N 1 2 376.456 3.965 20 10 GHCDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000756326186 1023591257 /nfs/dbraw/zinc/59/12/57/1023591257.db2.gz HCIVDDIVBRPJPT-QGZVFWFLSA-N 1 2 376.456 3.965 20 10 GHCDLO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cc(Br)cc(F)c1O ZINC000756372115 1023614210 /nfs/dbraw/zinc/61/42/10/1023614210.db2.gz OIPJCGRFQNCUNA-LLVKDONJSA-N 1 2 396.256 3.958 20 10 GHCDLO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cc(Br)c(F)cc1O ZINC000756393736 1023626990 /nfs/dbraw/zinc/62/69/90/1023626990.db2.gz ULBBKUCDKMLRLU-LLVKDONJSA-N 1 2 378.245 3.835 20 10 GHCDLO C[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Br)c(F)cc1O ZINC000756453912 1023659505 /nfs/dbraw/zinc/65/95/05/1023659505.db2.gz JMDBSMFYSVDDPA-SNVBAGLBSA-N 1 2 399.235 3.514 20 10 GHCDLO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(F)cc(F)c1O ZINC000756460443 1023663998 /nfs/dbraw/zinc/66/39/98/1023663998.db2.gz PPUNUDMFMVJOED-ZDUSSCGKSA-N 1 2 391.414 3.798 20 10 GHCDLO C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCOCC1)c1ccccc1 ZINC000756594829 1023727328 /nfs/dbraw/zinc/72/73/28/1023727328.db2.gz PLTQOYPTIQLKEO-SJORKVTESA-N 1 2 399.491 3.851 20 10 GHCDLO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(Br)c(F)cc1O ZINC000756742522 1023795267 /nfs/dbraw/zinc/79/52/67/1023795267.db2.gz NKPYXHXBSOOUQU-NSHDSACASA-N 1 2 391.244 3.725 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)Cc2nn(CC3CC3)cc21 ZINC001138355399 1024718867 /nfs/dbraw/zinc/71/88/67/1024718867.db2.gz PVMIIRVBKUMTMZ-NRFANRHFSA-N 1 2 394.563 3.811 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)Cc2nn(CC3CC3)cc21 ZINC001138355399 1024718880 /nfs/dbraw/zinc/71/88/80/1024718880.db2.gz PVMIIRVBKUMTMZ-NRFANRHFSA-N 1 2 394.563 3.811 20 10 GHCDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)[C@H]1c1ccccc1 ZINC001139125285 1025938020 /nfs/dbraw/zinc/93/80/20/1025938020.db2.gz QIYKIVVFBVPZTC-UTKZUKDTSA-N 1 2 393.439 3.543 20 10 GHCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)[C@H]1c1ccccc1 ZINC001139125285 1025938022 /nfs/dbraw/zinc/93/80/22/1025938022.db2.gz QIYKIVVFBVPZTC-UTKZUKDTSA-N 1 2 393.439 3.543 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001139126990 1025939230 /nfs/dbraw/zinc/93/92/30/1025939230.db2.gz ALSYIBBJSWWVAW-UHFFFAOYSA-N 1 2 384.863 3.783 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001139132655 1025945174 /nfs/dbraw/zinc/94/51/74/1025945174.db2.gz YVZUDJBYHAZXJW-UHFFFAOYSA-N 1 2 387.439 3.551 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001139132655 1025945182 /nfs/dbraw/zinc/94/51/82/1025945182.db2.gz YVZUDJBYHAZXJW-UHFFFAOYSA-N 1 2 387.439 3.551 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(C(=O)C(F)(F)F)c3)CC2)cc1 ZINC000839458471 1025948039 /nfs/dbraw/zinc/94/80/39/1025948039.db2.gz RJZOSUJQRDCZHH-UHFFFAOYSA-N 1 2 378.394 3.762 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]Cc1nccs1 ZINC001461079028 1069378584 /nfs/dbraw/zinc/37/85/84/1069378584.db2.gz QPSNWLVGLBSHBL-UHFFFAOYSA-N 1 2 378.089 3.664 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)C1=CC(=O)CS1 ZINC000839942277 1026362362 /nfs/dbraw/zinc/36/23/62/1026362362.db2.gz HMWSEVARMMRCIO-UHFFFAOYSA-N 1 2 395.322 3.611 20 10 GHCDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(N4CCC(C)CC4)cc3)[nH+]cn2)C1 ZINC000840258697 1027387998 /nfs/dbraw/zinc/38/79/98/1027387998.db2.gz GUMXWFZROUGEBB-ICSRJNTNSA-N 1 2 395.551 3.532 20 10 GHCDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(N4CCC(C)CC4)cc3)nc[nH+]2)C1 ZINC000840258697 1027388010 /nfs/dbraw/zinc/38/80/10/1027388010.db2.gz GUMXWFZROUGEBB-ICSRJNTNSA-N 1 2 395.551 3.532 20 10 GHCDLO CCOc1cccc(C[NH+]2CCN(c3c(Cl)cncc3Cl)CC2)c1O ZINC001203614343 1027478656 /nfs/dbraw/zinc/47/86/56/1027478656.db2.gz XZXBADVGQWJSDH-UHFFFAOYSA-N 1 2 382.291 3.815 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203651702 1027507132 /nfs/dbraw/zinc/50/71/32/1027507132.db2.gz STYAJUXQRFPYGU-HXUWFJFHSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203651702 1027507143 /nfs/dbraw/zinc/50/71/43/1027507143.db2.gz STYAJUXQRFPYGU-HXUWFJFHSA-N 1 2 396.915 3.648 20 10 GHCDLO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)Cc2ccc(N(C)C)cc2)cn1 ZINC001203934381 1027728928 /nfs/dbraw/zinc/72/89/28/1027728928.db2.gz SWMYJDGXNYWZCF-UHFFFAOYSA-N 1 2 380.540 3.522 20 10 GHCDLO CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)Cc2ccc(N(C)C)cc2)cn1 ZINC001203934381 1027728941 /nfs/dbraw/zinc/72/89/41/1027728941.db2.gz SWMYJDGXNYWZCF-UHFFFAOYSA-N 1 2 380.540 3.522 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)cc1 ZINC001203946608 1027741880 /nfs/dbraw/zinc/74/18/80/1027741880.db2.gz XHMABMAYLKWFQR-FQEVSTJZSA-N 1 2 376.541 3.856 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)cc1 ZINC001203946608 1027741898 /nfs/dbraw/zinc/74/18/98/1027741898.db2.gz XHMABMAYLKWFQR-FQEVSTJZSA-N 1 2 376.541 3.856 20 10 GHCDLO Nc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000841299598 1028390971 /nfs/dbraw/zinc/39/09/71/1028390971.db2.gz FRGCRTZUHGOPRZ-KRWDZBQOSA-N 1 2 376.863 3.847 20 10 GHCDLO Nc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000841299598 1028390988 /nfs/dbraw/zinc/39/09/88/1028390988.db2.gz FRGCRTZUHGOPRZ-KRWDZBQOSA-N 1 2 376.863 3.847 20 10 GHCDLO CC(C)Oc1cccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1 ZINC001217056885 1030130488 /nfs/dbraw/zinc/13/04/88/1030130488.db2.gz VHVKJMFYCHFFLX-UHFFFAOYSA-N 1 2 395.459 3.729 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001461646104 1069656492 /nfs/dbraw/zinc/65/64/92/1069656492.db2.gz IWYDHDJOOVCPEL-HOCLYGCPSA-N 1 2 380.257 3.956 20 10 GHCDLO CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001151152527 1030785594 /nfs/dbraw/zinc/78/55/94/1030785594.db2.gz BOVIPNWGHFYYNY-YADHBBJMSA-N 1 2 383.536 3.600 20 10 GHCDLO CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[N@H+]1CCO[C@H](CC)C1 ZINC001151152527 1030785608 /nfs/dbraw/zinc/78/56/08/1030785608.db2.gz BOVIPNWGHFYYNY-YADHBBJMSA-N 1 2 383.536 3.600 20 10 GHCDLO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944396 1030874682 /nfs/dbraw/zinc/87/46/82/1030874682.db2.gz MPHMXQRGPWKIPK-KZULUSFZSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944396 1030874706 /nfs/dbraw/zinc/87/47/06/1030874706.db2.gz MPHMXQRGPWKIPK-KZULUSFZSA-N 1 2 399.304 3.517 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967649 1030979810 /nfs/dbraw/zinc/97/98/10/1030979810.db2.gz RRTHSAHGYHTUGA-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967649 1030979820 /nfs/dbraw/zinc/97/98/20/1030979820.db2.gz RRTHSAHGYHTUGA-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1[C@@H]([NH2+]Cc2ccc(F)c(F)c2O)CCN1c1ccccc1C(F)(F)F ZINC001205434338 1033410661 /nfs/dbraw/zinc/41/06/61/1033410661.db2.gz MMPQHEIQGKKGRF-ZDUSSCGKSA-N 1 2 386.320 3.584 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2cccc(Cl)c2O)C2COC2)CC1 ZINC001231912507 1034987067 /nfs/dbraw/zinc/98/70/67/1034987067.db2.gz JSHBBGWUCRWTCI-UHFFFAOYSA-N 1 2 396.915 3.646 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cccc(Cl)c2O)C2COC2)CC1 ZINC001231912507 1034987070 /nfs/dbraw/zinc/98/70/70/1034987070.db2.gz JSHBBGWUCRWTCI-UHFFFAOYSA-N 1 2 396.915 3.646 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001231913503 1034987900 /nfs/dbraw/zinc/98/79/00/1034987900.db2.gz KULOETKEYPBSIH-LBPRGKRZSA-N 1 2 387.789 3.898 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)Cc2nnn(CC)c21 ZINC001209516981 1035300073 /nfs/dbraw/zinc/30/00/73/1035300073.db2.gz VQZLWPVTFLVCRB-FQEVSTJZSA-N 1 2 393.535 3.841 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)Cc2nnn(CC)c21 ZINC001209516981 1035300078 /nfs/dbraw/zinc/30/00/78/1035300078.db2.gz VQZLWPVTFLVCRB-FQEVSTJZSA-N 1 2 393.535 3.841 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001461983256 1069928700 /nfs/dbraw/zinc/92/87/00/1069928700.db2.gz MSJPLLCBTRFWNH-ZDUSSCGKSA-N 1 2 399.329 3.904 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001461983256 1069928705 /nfs/dbraw/zinc/92/87/05/1069928705.db2.gz MSJPLLCBTRFWNH-ZDUSSCGKSA-N 1 2 399.329 3.904 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(OCc4ccccc4)ccn3)CC2)cc1 ZINC001232586031 1038357253 /nfs/dbraw/zinc/35/72/53/1038357253.db2.gz VHEAVGXIEURLGI-UHFFFAOYSA-N 1 2 389.499 3.991 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001233032280 1038786471 /nfs/dbraw/zinc/78/64/71/1038786471.db2.gz XSHDUPWDKKUVFZ-AWEZNQCLSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001233032280 1038786484 /nfs/dbraw/zinc/78/64/84/1038786484.db2.gz XSHDUPWDKKUVFZ-AWEZNQCLSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001233336276 1039137683 /nfs/dbraw/zinc/13/76/83/1039137683.db2.gz GFVYFSLRLITGEU-JTQLQIEISA-N 1 2 389.324 3.523 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001233336276 1039137694 /nfs/dbraw/zinc/13/76/94/1039137694.db2.gz GFVYFSLRLITGEU-JTQLQIEISA-N 1 2 389.324 3.523 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416810 1039273820 /nfs/dbraw/zinc/27/38/20/1039273820.db2.gz XFPJKMWMDBUGSM-HUUCEWRRSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416810 1039273834 /nfs/dbraw/zinc/27/38/34/1039273834.db2.gz XFPJKMWMDBUGSM-HUUCEWRRSA-N 1 2 386.414 3.995 20 10 GHCDLO Oc1c(CN2CC[NH+](CCOc3ccccc3)CC2)cccc1C(F)(F)F ZINC001233418228 1039279002 /nfs/dbraw/zinc/27/90/02/1039279002.db2.gz YFQHHGKDDQAPGT-UHFFFAOYSA-N 1 2 380.410 3.608 20 10 GHCDLO Oc1c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cccc1OC(F)(F)F ZINC001233776815 1039607605 /nfs/dbraw/zinc/60/76/05/1039607605.db2.gz YTUPLCJYOUSRDU-CQSZACIVSA-N 1 2 380.357 3.596 20 10 GHCDLO COc1ccc(CC[N@H+](C)Cc2cc(Br)cc(F)c2O)cc1OC ZINC001235057848 1040548269 /nfs/dbraw/zinc/54/82/69/1040548269.db2.gz VHGBATDYVAFGEQ-UHFFFAOYSA-N 1 2 398.272 3.986 20 10 GHCDLO COc1ccc(CC[N@@H+](C)Cc2cc(Br)cc(F)c2O)cc1OC ZINC001235057848 1040548280 /nfs/dbraw/zinc/54/82/80/1040548280.db2.gz VHGBATDYVAFGEQ-UHFFFAOYSA-N 1 2 398.272 3.986 20 10 GHCDLO COc1cccc(C[N@H+](C)Cc2cc(Br)cc(F)c2O)c1OC ZINC001235066445 1040554479 /nfs/dbraw/zinc/55/44/79/1040554479.db2.gz IQJYIHCWFXXYCF-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1cccc(C[N@@H+](C)Cc2cc(Br)cc(F)c2O)c1OC ZINC001235066445 1040554493 /nfs/dbraw/zinc/55/44/93/1040554493.db2.gz IQJYIHCWFXXYCF-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COC(C[N@H+](Cc1ccccc1)Cc1cc(F)cc(Br)c1O)OC ZINC001235299571 1040772364 /nfs/dbraw/zinc/77/23/64/1040772364.db2.gz VZULFTYYQAWSFL-UHFFFAOYSA-N 1 2 398.272 3.915 20 10 GHCDLO COC(C[N@@H+](Cc1ccccc1)Cc1cc(F)cc(Br)c1O)OC ZINC001235299571 1040772379 /nfs/dbraw/zinc/77/23/79/1040772379.db2.gz VZULFTYYQAWSFL-UHFFFAOYSA-N 1 2 398.272 3.915 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001235301216 1040776155 /nfs/dbraw/zinc/77/61/55/1040776155.db2.gz DUHASVXDEHJMNX-HNNXBMFYSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001235301216 1040776165 /nfs/dbraw/zinc/77/61/65/1040776165.db2.gz DUHASVXDEHJMNX-HNNXBMFYSA-N 1 2 381.245 3.732 20 10 GHCDLO CCCCN(CCCC)c1ccc(C[N@@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235507689 1040967994 /nfs/dbraw/zinc/96/79/94/1040967994.db2.gz GSKKIUFMHRTBKS-UHFFFAOYSA-N 1 2 386.540 3.503 20 10 GHCDLO CCCCN(CCCC)c1ccc(C[N@H+]2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235507689 1040967997 /nfs/dbraw/zinc/96/79/97/1040967997.db2.gz GSKKIUFMHRTBKS-UHFFFAOYSA-N 1 2 386.540 3.503 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794903 1041899344 /nfs/dbraw/zinc/89/93/44/1041899344.db2.gz FNOPEGYRVGOPAB-JKSUJKDBSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794903 1041899345 /nfs/dbraw/zinc/89/93/45/1041899345.db2.gz FNOPEGYRVGOPAB-JKSUJKDBSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1ccc(C[NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(O)c1Cl ZINC001236802054 1041903746 /nfs/dbraw/zinc/90/37/46/1041903746.db2.gz NJBBLGUWBGZONQ-UHFFFAOYSA-N 1 2 396.915 3.887 20 10 GHCDLO COc1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(O)c1Cl ZINC001236802828 1041905222 /nfs/dbraw/zinc/90/52/22/1041905222.db2.gz VSQFUFCYYFZUID-UHFFFAOYSA-N 1 2 387.867 3.947 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237123023 1042051028 /nfs/dbraw/zinc/05/10/28/1042051028.db2.gz AXSGHBGRJAVZQR-QMMMGPOBSA-N 1 2 379.741 3.966 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237123023 1042051034 /nfs/dbraw/zinc/05/10/34/1042051034.db2.gz AXSGHBGRJAVZQR-QMMMGPOBSA-N 1 2 379.741 3.966 20 10 GHCDLO CCn1nnc2c1CC[N@H+](Cc1c(C)cccc1O)[C@@H]2COCc1ccccc1 ZINC001237487296 1042230618 /nfs/dbraw/zinc/23/06/18/1042230618.db2.gz XQKWWTCGFROQAQ-OAQYLSRUSA-N 1 2 392.503 3.628 20 10 GHCDLO CCn1nnc2c1CC[N@@H+](Cc1c(C)cccc1O)[C@@H]2COCc1ccccc1 ZINC001237487296 1042230625 /nfs/dbraw/zinc/23/06/25/1042230625.db2.gz XQKWWTCGFROQAQ-OAQYLSRUSA-N 1 2 392.503 3.628 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1 ZINC001237617125 1042283789 /nfs/dbraw/zinc/28/37/89/1042283789.db2.gz KXYVHTKSSREZMA-TZMCWYRMSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1 ZINC001237617125 1042283802 /nfs/dbraw/zinc/28/38/02/1042283802.db2.gz KXYVHTKSSREZMA-TZMCWYRMSA-N 1 2 384.879 3.874 20 10 GHCDLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237620919 1042287779 /nfs/dbraw/zinc/28/77/79/1042287779.db2.gz YWBYWLRBESXUNZ-SJCJKPOMSA-N 1 2 392.833 3.670 20 10 GHCDLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237620919 1042287785 /nfs/dbraw/zinc/28/77/85/1042287785.db2.gz YWBYWLRBESXUNZ-SJCJKPOMSA-N 1 2 392.833 3.670 20 10 GHCDLO CCOCc1noc2c1C[N@H+](Cc1cc(Br)c(C)cc1O)CC2 ZINC001237679623 1042320717 /nfs/dbraw/zinc/32/07/17/1042320717.db2.gz SRFKBSLRIRYOQA-UHFFFAOYSA-N 1 2 381.270 3.546 20 10 GHCDLO CCOCc1noc2c1C[N@@H+](Cc1cc(Br)c(C)cc1O)CC2 ZINC001237679623 1042320725 /nfs/dbraw/zinc/32/07/25/1042320725.db2.gz SRFKBSLRIRYOQA-UHFFFAOYSA-N 1 2 381.270 3.546 20 10 GHCDLO COC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)Cc2nn(CC3CC3)cc21 ZINC001237680020 1042321432 /nfs/dbraw/zinc/32/14/32/1042321432.db2.gz NZHIRLJNLDULDV-INIZCTEOSA-N 1 2 375.900 3.706 20 10 GHCDLO COC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)Cc2nn(CC3CC3)cc21 ZINC001237680020 1042321440 /nfs/dbraw/zinc/32/14/40/1042321440.db2.gz NZHIRLJNLDULDV-INIZCTEOSA-N 1 2 375.900 3.706 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)c1O ZINC001237687588 1042328027 /nfs/dbraw/zinc/32/80/27/1042328027.db2.gz NQONPEMDJDELDF-UHFFFAOYSA-N 1 2 385.851 3.874 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)c1O ZINC001237687588 1042328030 /nfs/dbraw/zinc/32/80/30/1042328030.db2.gz NQONPEMDJDELDF-UHFFFAOYSA-N 1 2 385.851 3.874 20 10 GHCDLO C[N@@H+](Cc1cccc(I)c1O)Cc1ccc(F)cc1F ZINC001237783858 1042367659 /nfs/dbraw/zinc/36/76/59/1042367659.db2.gz PBMYSDIOZQJHDD-UHFFFAOYSA-N 1 2 389.183 3.907 20 10 GHCDLO C[N@H+](Cc1cccc(I)c1O)Cc1ccc(F)cc1F ZINC001237783858 1042367662 /nfs/dbraw/zinc/36/76/62/1042367662.db2.gz PBMYSDIOZQJHDD-UHFFFAOYSA-N 1 2 389.183 3.907 20 10 GHCDLO Oc1cc(Cl)c(F)cc1CN1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001237937199 1042428282 /nfs/dbraw/zinc/42/82/82/1042428282.db2.gz NFEBMYBUISYEHG-WBMJQRKESA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1cc(Cl)c(F)cc1CN1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001237937199 1042428285 /nfs/dbraw/zinc/42/82/85/1042428285.db2.gz NFEBMYBUISYEHG-WBMJQRKESA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237941645 1042431596 /nfs/dbraw/zinc/43/15/96/1042431596.db2.gz ZXGNHGCLAJYGCV-SNVBAGLBSA-N 1 2 391.752 3.647 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237941645 1042431597 /nfs/dbraw/zinc/43/15/97/1042431597.db2.gz ZXGNHGCLAJYGCV-SNVBAGLBSA-N 1 2 391.752 3.647 20 10 GHCDLO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2scnc2C)cc1Cl ZINC001279571967 1047842118 /nfs/dbraw/zinc/84/21/18/1047842118.db2.gz RMPNOIVKUUXEKL-GASCZTMLSA-N 1 2 393.940 3.668 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2scnc2C)cc1Cl ZINC001279571967 1047842132 /nfs/dbraw/zinc/84/21/32/1047842132.db2.gz RMPNOIVKUUXEKL-GASCZTMLSA-N 1 2 393.940 3.668 20 10 GHCDLO O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001279683887 1047912494 /nfs/dbraw/zinc/91/24/94/1047912494.db2.gz KYAVULTZUBNGKP-HOTGVXAUSA-N 1 2 394.899 3.664 20 10 GHCDLO O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001279683887 1047912506 /nfs/dbraw/zinc/91/25/06/1047912506.db2.gz KYAVULTZUBNGKP-HOTGVXAUSA-N 1 2 394.899 3.664 20 10 GHCDLO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC001307490432 1049330019 /nfs/dbraw/zinc/33/00/19/1049330019.db2.gz OYYDGHHOGHNWSU-IBGZPJMESA-N 1 2 386.879 3.876 20 10 GHCDLO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC001307490432 1049330027 /nfs/dbraw/zinc/33/00/27/1049330027.db2.gz OYYDGHHOGHNWSU-IBGZPJMESA-N 1 2 386.879 3.876 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCc1ccnn1-c1ccccc1 ZINC001308524454 1049998851 /nfs/dbraw/zinc/99/88/51/1049998851.db2.gz AMGFWHYROQOFHC-UHFFFAOYSA-N 1 2 390.256 3.812 20 10 GHCDLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c(O)c1 ZINC001308719980 1050071087 /nfs/dbraw/zinc/07/10/87/1050071087.db2.gz STVKPAAMTUOKKH-IBGZPJMESA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c(O)c1 ZINC001308719980 1050071091 /nfs/dbraw/zinc/07/10/91/1050071091.db2.gz STVKPAAMTUOKKH-IBGZPJMESA-N 1 2 383.492 3.890 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)n2cc[nH+]c2)cc1 ZINC001318383664 1054601986 /nfs/dbraw/zinc/60/19/86/1054601986.db2.gz UDKBEKFOSMJQIN-QGZVFWFLSA-N 1 2 378.476 3.752 20 10 GHCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001324104389 1057070690 /nfs/dbraw/zinc/07/06/90/1057070690.db2.gz YJBBFYMYJJMOTB-KRWDZBQOSA-N 1 2 394.302 3.765 20 10 GHCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001324104389 1057070691 /nfs/dbraw/zinc/07/06/91/1057070691.db2.gz YJBBFYMYJJMOTB-KRWDZBQOSA-N 1 2 394.302 3.765 20 10 GHCDLO [NH2+]=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc2c(c1)OCCCO2 ZINC000849078212 1057583539 /nfs/dbraw/zinc/58/35/39/1057583539.db2.gz WLOIPJCZGNPMCU-UHFFFAOYSA-N 1 2 382.247 3.997 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC001474083446 1074258464 /nfs/dbraw/zinc/25/84/64/1074258464.db2.gz BPQAHORJTWTNLJ-LBPRGKRZSA-N 1 2 393.119 3.966 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC001474099801 1074263181 /nfs/dbraw/zinc/26/31/81/1074263181.db2.gz HARQSLBDIXJSGZ-YRGRVCCFSA-N 1 2 378.332 3.763 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001474391991 1074380977 /nfs/dbraw/zinc/38/09/77/1074380977.db2.gz REOZHAKRXHFOHY-KRWDZBQOSA-N 1 2 384.220 3.526 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001474391991 1074380985 /nfs/dbraw/zinc/38/09/85/1074380985.db2.gz REOZHAKRXHFOHY-KRWDZBQOSA-N 1 2 384.220 3.526 20 10 GHCDLO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(Cl)c1O ZINC001660398731 1126265058 /nfs/dbraw/zinc/26/50/58/1126265058.db2.gz XZWNGTKCIZNWKA-QGZVFWFLSA-N 1 2 384.701 3.891 20 10 GHCDLO Clc1ccc(C2=CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)cn1 ZINC000826351712 608296662 /nfs/dbraw/zinc/29/66/62/608296662.db2.gz XJPMXXGJEYBDDV-UHFFFAOYSA-N 1 2 389.850 3.757 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000153844593 836573882 /nfs/dbraw/zinc/57/38/82/836573882.db2.gz YGBHLTJNWRKKTD-CQSZACIVSA-N 1 2 385.302 3.548 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000894076433 844478379 /nfs/dbraw/zinc/47/83/79/844478379.db2.gz MXDZDLOXHDYCCU-CQSZACIVSA-N 1 2 390.705 3.578 20 10 GHCDLO COc1cc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc(OC)c1OC ZINC000759878841 840317473 /nfs/dbraw/zinc/31/74/73/840317473.db2.gz OUBFARHBBMIHAH-UHFFFAOYSA-N 1 2 394.874 3.827 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c(C)n1-c1cccc(F)c1 ZINC000732212185 862137237 /nfs/dbraw/zinc/13/72/37/862137237.db2.gz PAAXBBXSZDTZJQ-FQEVSTJZSA-N 1 2 397.494 3.503 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c(C)n1-c1cccc(F)c1 ZINC000732212185 862137251 /nfs/dbraw/zinc/13/72/51/862137251.db2.gz PAAXBBXSZDTZJQ-FQEVSTJZSA-N 1 2 397.494 3.503 20 10 GHCDLO COc1cc(CCC[NH2+]Cc2cccc(Br)c2O)cc(OC)c1O ZINC000856812190 881764210 /nfs/dbraw/zinc/76/42/10/881764210.db2.gz KOUMGEJWLGAJCP-UHFFFAOYSA-N 1 2 396.281 3.600 20 10 GHCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1OC(F)(F)F ZINC000793349131 882144184 /nfs/dbraw/zinc/14/41/84/882144184.db2.gz QBPKWAAUTKTTAK-CYBMUJFWSA-N 1 2 379.737 3.907 20 10 GHCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000768315449 873247379 /nfs/dbraw/zinc/24/73/79/873247379.db2.gz MYVMBZXBRANDCJ-UHFFFAOYSA-N 1 2 395.286 3.666 20 10 GHCDLO Cc1cc(C(=O)CN2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC000770038368 874419154 /nfs/dbraw/zinc/41/91/54/874419154.db2.gz LWNGBPSNNYNPCZ-LJQANCHMSA-N 1 2 376.504 3.890 20 10 GHCDLO Cc1cc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)c(C)n1-c1ccccc1 ZINC000858132392 882868814 /nfs/dbraw/zinc/86/88/14/882868814.db2.gz BSRHSIIMOHGBMJ-UHFFFAOYSA-N 1 2 391.519 3.669 20 10 GHCDLO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc3[nH+]ccn32)cc1 ZINC000771808808 875488850 /nfs/dbraw/zinc/48/88/50/875488850.db2.gz VFVQSLHVMGVDSV-UHFFFAOYSA-N 1 2 376.382 3.605 20 10 GHCDLO CCC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776173844 875691631 /nfs/dbraw/zinc/69/16/31/875691631.db2.gz APRDFZXZARBKRM-CYBMUJFWSA-N 1 2 381.108 3.558 20 10 GHCDLO OCC1CCN(c2ccc(CNc3nc4ccccc4n4c[nH+]cc34)cc2)CC1 ZINC000858354934 883044062 /nfs/dbraw/zinc/04/40/62/883044062.db2.gz WKEMZVOYKMZMHX-UHFFFAOYSA-N 1 2 387.487 3.703 20 10 GHCDLO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000786584501 876772592 /nfs/dbraw/zinc/77/25/92/876772592.db2.gz UGGTXPUTRQTCHU-IUODEOHRSA-N 1 2 382.273 3.856 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000790925795 880067444 /nfs/dbraw/zinc/06/74/44/880067444.db2.gz FGSYZKZPLOHMPJ-QMMMGPOBSA-N 1 2 381.133 3.760 20 10 GHCDLO C[NH+](C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccsc1 ZINC000804903305 883467238 /nfs/dbraw/zinc/46/72/38/883467238.db2.gz JJBUUTGSNLKQBS-CQSZACIVSA-N 1 2 388.320 3.863 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000861932920 886003688 /nfs/dbraw/zinc/00/36/88/886003688.db2.gz AMIWCKHNYUHIQW-UHFFFAOYSA-N 1 2 375.472 3.777 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000747464932 886099561 /nfs/dbraw/zinc/09/95/61/886099561.db2.gz DAVLGSJRGTXWHV-FQEVSTJZSA-N 1 2 383.444 3.834 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000747464932 886099571 /nfs/dbraw/zinc/09/95/71/886099571.db2.gz DAVLGSJRGTXWHV-FQEVSTJZSA-N 1 2 383.444 3.834 20 10 GHCDLO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000862252391 886256099 /nfs/dbraw/zinc/25/60/99/886256099.db2.gz FEBDXADPMDMIJQ-LBPRGKRZSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1cccc(Br)c1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000862252391 886256144 /nfs/dbraw/zinc/25/61/44/886256144.db2.gz FEBDXADPMDMIJQ-LBPRGKRZSA-N 1 2 377.286 3.530 20 10 GHCDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809721042 887746927 /nfs/dbraw/zinc/74/69/27/887746927.db2.gz RQCACKBUQMLJPJ-CQSZACIVSA-N 1 2 385.302 3.644 20 10 GHCDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809721042 887746943 /nfs/dbraw/zinc/74/69/43/887746943.db2.gz RQCACKBUQMLJPJ-CQSZACIVSA-N 1 2 385.302 3.644 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(C)c3C)CC2)cc1F ZINC000121983021 889269519 /nfs/dbraw/zinc/26/95/19/889269519.db2.gz KEZQIUJOGZAFCJ-QGZVFWFLSA-N 1 2 385.483 3.600 20 10 GHCDLO OC[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C1CCCC1 ZINC000811518738 889672203 /nfs/dbraw/zinc/67/22/03/889672203.db2.gz PNMIZIIJDXSZFE-CYBMUJFWSA-N 1 2 393.119 3.558 20 10 GHCDLO COc1ccc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cc1Cn1cccn1 ZINC000873049288 891444958 /nfs/dbraw/zinc/44/49/58/891444958.db2.gz FBIJHXOULAZAIM-IBGZPJMESA-N 1 2 381.480 3.687 20 10 GHCDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874342501 892094975 /nfs/dbraw/zinc/09/49/75/892094975.db2.gz YKERYCUQPAEJSD-AWEZNQCLSA-N 1 2 383.427 3.507 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000778189936 893178551 /nfs/dbraw/zinc/17/85/51/893178551.db2.gz KTKHKATVIMQOJJ-UHFFFAOYSA-N 1 2 396.274 3.735 20 10 GHCDLO COc1c(O)c(C[N@H+](C)Cc2csc(Br)c2)ccc1[N+](=O)[O-] ZINC000774844903 913745769 /nfs/dbraw/zinc/74/57/69/913745769.db2.gz AZUOAAFWRWQXIJ-UHFFFAOYSA-N 1 2 387.255 3.765 20 10 GHCDLO COc1c(O)c(C[N@@H+](C)Cc2csc(Br)c2)ccc1[N+](=O)[O-] ZINC000774844903 913745782 /nfs/dbraw/zinc/74/57/82/913745782.db2.gz AZUOAAFWRWQXIJ-UHFFFAOYSA-N 1 2 387.255 3.765 20 10 GHCDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000774854617 913802072 /nfs/dbraw/zinc/80/20/72/913802072.db2.gz YEISRVIZCDRENW-LPHOPBHVSA-N 1 2 399.491 3.966 20 10 GHCDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000774854617 913802078 /nfs/dbraw/zinc/80/20/78/913802078.db2.gz YEISRVIZCDRENW-LPHOPBHVSA-N 1 2 399.491 3.966 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3conc3Cc3ccccc3)CC2)cc1F ZINC000816519983 894875474 /nfs/dbraw/zinc/87/54/74/894875474.db2.gz BTUATOANTADBQI-UHFFFAOYSA-N 1 2 381.451 3.735 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000883166002 897335014 /nfs/dbraw/zinc/33/50/14/897335014.db2.gz QHSQXXKLNDCUTI-UHFFFAOYSA-N 1 2 380.261 3.579 20 10 GHCDLO Cc1cc(CC(=O)NCCc2cn3c([nH+]2)CCCC3)c(C)n1-c1ccccc1 ZINC000821222894 897794446 /nfs/dbraw/zinc/79/44/46/897794446.db2.gz URQCNIZNGHGPCU-UHFFFAOYSA-N 1 2 376.504 3.528 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000823576482 899094603 /nfs/dbraw/zinc/09/46/03/899094603.db2.gz POZJAFBJQSQJCM-GOSISDBHSA-N 1 2 397.393 3.510 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000823576482 899094618 /nfs/dbraw/zinc/09/46/18/899094618.db2.gz POZJAFBJQSQJCM-GOSISDBHSA-N 1 2 397.393 3.510 20 10 GHCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824114265 899417495 /nfs/dbraw/zinc/41/74/95/899417495.db2.gz RIEFJQYNRWJMCR-AZUAARDMSA-N 1 2 388.533 3.537 20 10 GHCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824114265 899417500 /nfs/dbraw/zinc/41/75/00/899417500.db2.gz RIEFJQYNRWJMCR-AZUAARDMSA-N 1 2 388.533 3.537 20 10 GHCDLO CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC000824903268 899870007 /nfs/dbraw/zinc/87/00/07/899870007.db2.gz DHDTTZLOPPTRAQ-UHFFFAOYSA-N 1 2 387.911 3.758 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc(C)c(Br)s2)cc1 ZINC001171730879 904958574 /nfs/dbraw/zinc/95/85/74/904958574.db2.gz ZYCVRLQLVCAUJK-UHFFFAOYSA-N 1 2 384.343 3.791 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(C)c(Br)s2)cc1 ZINC001171730879 904958585 /nfs/dbraw/zinc/95/85/85/904958585.db2.gz ZYCVRLQLVCAUJK-UHFFFAOYSA-N 1 2 384.343 3.791 20 10 GHCDLO COc1cccc(-n2nc(C)c([C@@H]3COCC[N@@H+]3Cc3ccccc3O)c2C)c1 ZINC000779612886 907884942 /nfs/dbraw/zinc/88/49/42/907884942.db2.gz KBFPPIAZUBKDKQ-NRFANRHFSA-N 1 2 393.487 3.777 20 10 GHCDLO COc1cccc(-n2nc(C)c([C@@H]3COCC[N@H+]3Cc3ccccc3O)c2C)c1 ZINC000779612886 907884959 /nfs/dbraw/zinc/88/49/59/907884959.db2.gz KBFPPIAZUBKDKQ-NRFANRHFSA-N 1 2 393.487 3.777 20 10 GHCDLO COc1cc[nH+]cc1Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001176124605 907950520 /nfs/dbraw/zinc/95/05/20/907950520.db2.gz PBBUFVNEFCCEGK-UHFFFAOYSA-N 1 2 377.492 3.989 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@@H](O)Cc1ccccc1 ZINC001178249344 908952264 /nfs/dbraw/zinc/95/22/64/908952264.db2.gz NHWZKOIWRUVJON-ZBEGNZNMSA-N 1 2 384.701 3.890 20 10 GHCDLO C[C@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1O)NC(=O)OC(C)(C)C ZINC000195142467 908972318 /nfs/dbraw/zinc/97/23/18/908972318.db2.gz AVCXWEPFDRMEHK-NXEZZACHSA-N 1 2 391.281 3.858 20 10 GHCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000365001652 920287408 /nfs/dbraw/zinc/28/74/08/920287408.db2.gz QTKMRBKLOBBULO-FXAWDEMLSA-N 1 2 375.472 3.941 20 10 GHCDLO FC(F)Oc1ccc(N2CCC([NH2+][C@@H](c3nnc[nH]3)c3ccccc3)CC2)cc1 ZINC000368006897 922421054 /nfs/dbraw/zinc/42/10/54/922421054.db2.gz OVEVXQIJHRDIHM-LJQANCHMSA-N 1 2 399.445 3.754 20 10 GHCDLO COc1ccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c(O)c1 ZINC000373926659 926563209 /nfs/dbraw/zinc/56/32/09/926563209.db2.gz WBMUAMGFUSGYAM-UHFFFAOYSA-N 1 2 390.443 3.638 20 10 GHCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1O ZINC000750826953 927878430 /nfs/dbraw/zinc/87/84/30/927878430.db2.gz UTDJHVFAWQUSKA-UHFFFAOYSA-N 1 2 379.435 3.604 20 10 GHCDLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000780892270 930629789 /nfs/dbraw/zinc/62/97/89/930629789.db2.gz IVSDXELWYAQVDS-VHSXEESVSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000780892270 930629797 /nfs/dbraw/zinc/62/97/97/930629797.db2.gz IVSDXELWYAQVDS-VHSXEESVSA-N 1 2 393.119 3.510 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2nc(-c3cccnc3)no2)c1 ZINC000781907162 931023046 /nfs/dbraw/zinc/02/30/46/931023046.db2.gz DOBVZERVAJBEJP-UHFFFAOYSA-N 1 2 389.253 3.540 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)c1 ZINC000781907162 931023057 /nfs/dbraw/zinc/02/30/57/931023057.db2.gz DOBVZERVAJBEJP-UHFFFAOYSA-N 1 2 389.253 3.540 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000798953569 932835823 /nfs/dbraw/zinc/83/58/23/932835823.db2.gz HIQXMBKOTJNZNT-SFHVURJKSA-N 1 2 399.329 3.891 20 10 GHCDLO C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001226646650 1032061330 /nfs/dbraw/zinc/06/13/30/1032061330.db2.gz DKIZPNJGAXIZCF-UWJYYQICSA-N 1 2 377.492 3.751 20 10 GHCDLO Cc1nc(CN2CC[C@@]3(CCC[N@@H+]3Cc3cccc(Cl)c3O)C2=O)cs1 ZINC001277232561 1032520568 /nfs/dbraw/zinc/52/05/68/1032520568.db2.gz UHJBBZDAXPOSKB-IBGZPJMESA-N 1 2 391.924 3.578 20 10 GHCDLO Cc1nc(CN2CC[C@@]3(CCC[N@H+]3Cc3cccc(Cl)c3O)C2=O)cs1 ZINC001277232561 1032520573 /nfs/dbraw/zinc/52/05/73/1032520573.db2.gz UHJBBZDAXPOSKB-IBGZPJMESA-N 1 2 391.924 3.578 20 10 GHCDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)O1 ZINC000929768059 1017738589 /nfs/dbraw/zinc/73/85/89/1017738589.db2.gz GYCRYLNOMRYOSO-HZPDHXFCSA-N 1 2 381.476 3.549 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)Cc2nn(CC3CC3)cc21 ZINC001140463257 1021754732 /nfs/dbraw/zinc/75/47/32/1021754732.db2.gz YDILLXXQMGYGAL-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)Cc2nn(CC3CC3)cc21 ZINC001140463257 1021754745 /nfs/dbraw/zinc/75/47/45/1021754745.db2.gz YDILLXXQMGYGAL-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140584502 1022008375 /nfs/dbraw/zinc/00/83/75/1022008375.db2.gz UNJKRNMLVMXCGJ-AZUAARDMSA-N 1 2 375.415 3.982 20 10 GHCDLO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140584502 1022008385 /nfs/dbraw/zinc/00/83/85/1022008385.db2.gz UNJKRNMLVMXCGJ-AZUAARDMSA-N 1 2 375.415 3.982 20 10 GHCDLO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140584836 1022009046 /nfs/dbraw/zinc/00/90/46/1022009046.db2.gz GIFBPUAPWIUFLY-UHFFFAOYSA-N 1 2 394.849 3.852 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc(C(=O)NC(C)C)cc2)C1 ZINC001140618811 1022085046 /nfs/dbraw/zinc/08/50/46/1022085046.db2.gz BMYSAQZJSJVDOU-UHFFFAOYSA-N 1 2 391.515 3.883 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc(C(=O)NC(C)C)cc2)C1 ZINC001140618811 1022085066 /nfs/dbraw/zinc/08/50/66/1022085066.db2.gz BMYSAQZJSJVDOU-UHFFFAOYSA-N 1 2 391.515 3.883 20 10 GHCDLO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000756642613 1023751413 /nfs/dbraw/zinc/75/14/13/1023751413.db2.gz OOVQZXBBCZWYAT-FUHIMQAGSA-N 1 2 382.504 3.883 20 10 GHCDLO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000756642613 1023751418 /nfs/dbraw/zinc/75/14/18/1023751418.db2.gz OOVQZXBBCZWYAT-FUHIMQAGSA-N 1 2 382.504 3.883 20 10 GHCDLO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Br)cc(Cl)c1O ZINC000756707722 1023783154 /nfs/dbraw/zinc/78/31/54/1023783154.db2.gz NOOYJQCLNGGPCM-VIFPVBQESA-N 1 2 398.750 3.672 20 10 GHCDLO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(Br)cc(F)c1O ZINC000756743764 1023796060 /nfs/dbraw/zinc/79/60/60/1023796060.db2.gz VSXRXYBKZPYEQG-NSHDSACASA-N 1 2 391.244 3.725 20 10 GHCDLO CCN1CC[NH+](Cc2ccc(N[C@H](C)c3cc(F)cc(F)c3O)cc2)CC1 ZINC000756804668 1023820804 /nfs/dbraw/zinc/82/08/04/1023820804.db2.gz NLHFMLWLPCJGDZ-OAHLLOKOSA-N 1 2 375.463 3.981 20 10 GHCDLO Cc1cc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)nn1C ZINC001138830140 1025439063 /nfs/dbraw/zinc/43/90/63/1025439063.db2.gz FRTFORWGCCAITN-UHFFFAOYSA-N 1 2 376.504 3.630 20 10 GHCDLO Cn1ccnc1C[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838994759 1025506999 /nfs/dbraw/zinc/50/69/99/1025506999.db2.gz MBTAWCMCRXBSHV-UHFFFAOYSA-N 1 2 377.330 3.805 20 10 GHCDLO Cn1ccnc1C[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838994759 1025507006 /nfs/dbraw/zinc/50/70/06/1025507006.db2.gz MBTAWCMCRXBSHV-UHFFFAOYSA-N 1 2 377.330 3.805 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)c1ccn(C)n1 ZINC000839190892 1025710891 /nfs/dbraw/zinc/71/08/91/1025710891.db2.gz KRAWQUSHFOORCQ-MRVPVSSYSA-N 1 2 389.091 3.502 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCc3onc(C(=O)N(C)C(C)C)c3C2)cc1 ZINC001203940506 1027736403 /nfs/dbraw/zinc/73/64/03/1027736403.db2.gz OCHDUFLJWTTWEU-UHFFFAOYSA-N 1 2 384.524 3.560 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCc3onc(C(=O)N(C)C(C)C)c3C2)cc1 ZINC001203940506 1027736421 /nfs/dbraw/zinc/73/64/21/1027736421.db2.gz OCHDUFLJWTTWEU-UHFFFAOYSA-N 1 2 384.524 3.560 20 10 GHCDLO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)cc1 ZINC000840809328 1027849659 /nfs/dbraw/zinc/84/96/59/1027849659.db2.gz RANJSICMJGFLPR-AAEUAGOBSA-N 1 2 398.272 3.729 20 10 GHCDLO CC(C)(C)C[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461358624 1069517735 /nfs/dbraw/zinc/51/77/35/1069517735.db2.gz REQAJFKWCKPURK-NSHDSACASA-N 1 2 395.135 3.804 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)OCC3CN(c4cccc[nH+]4)C3)ccc21 ZINC000842891440 1029666512 /nfs/dbraw/zinc/66/65/12/1029666512.db2.gz OUKKDEUSQVEGDB-UHFFFAOYSA-N 1 2 393.487 3.593 20 10 GHCDLO Cc1cc(F)c(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)cc1F ZINC001217056670 1030128377 /nfs/dbraw/zinc/12/83/77/1030128377.db2.gz OYWKYYXLNUJPEV-UHFFFAOYSA-N 1 2 387.386 3.528 20 10 GHCDLO CC(C)CN1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@H](C)C1=O ZINC001205489126 1033436658 /nfs/dbraw/zinc/43/66/58/1033436658.db2.gz KKNXHRMQUNXWDP-HXUWFJFHSA-N 1 2 391.559 3.938 20 10 GHCDLO CC(C)CN1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@H](C)C1=O ZINC001205489126 1033436671 /nfs/dbraw/zinc/43/66/71/1033436671.db2.gz KKNXHRMQUNXWDP-HXUWFJFHSA-N 1 2 391.559 3.938 20 10 GHCDLO O=C1CCC2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)CN1CC(F)F ZINC001277510871 1034548734 /nfs/dbraw/zinc/54/87/34/1034548734.db2.gz RVICZNCFKFBDSZ-UHFFFAOYSA-N 1 2 390.833 3.654 20 10 GHCDLO COc1ccc(C[N@H+](C)Cc2c(Br)ccc(OC)c2O)c(OC)c1 ZINC001231553759 1034705499 /nfs/dbraw/zinc/70/54/99/1034705499.db2.gz CCXALUPRJQDCSJ-UHFFFAOYSA-N 1 2 396.281 3.813 20 10 GHCDLO COc1ccc(C[N@@H+](C)Cc2c(Br)ccc(OC)c2O)c(OC)c1 ZINC001231553759 1034705511 /nfs/dbraw/zinc/70/55/11/1034705511.db2.gz CCXALUPRJQDCSJ-UHFFFAOYSA-N 1 2 396.281 3.813 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO[C@@H]2C1 ZINC001231909494 1034984019 /nfs/dbraw/zinc/98/40/19/1034984019.db2.gz FVGALGUVKIGRPT-RHSMWYFYSA-N 1 2 396.915 3.503 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO[C@@H]2C1 ZINC001231909494 1034984022 /nfs/dbraw/zinc/98/40/22/1034984022.db2.gz FVGALGUVKIGRPT-RHSMWYFYSA-N 1 2 396.915 3.503 20 10 GHCDLO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4cccc(Cl)c4O)C3)C2=O)c1 ZINC001231911333 1034985906 /nfs/dbraw/zinc/98/59/06/1034985906.db2.gz KDOZXRIEJIKLTO-JOCHJYFZSA-N 1 2 384.907 3.979 20 10 GHCDLO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4cccc(Cl)c4O)C3)C2=O)c1 ZINC001231911333 1034985912 /nfs/dbraw/zinc/98/59/12/1034985912.db2.gz KDOZXRIEJIKLTO-JOCHJYFZSA-N 1 2 384.907 3.979 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c(O)c1I ZINC001248493979 1035913273 /nfs/dbraw/zinc/91/32/73/1035913273.db2.gz CXEUHUNISCHGSZ-AWEZNQCLSA-N 1 2 395.240 3.952 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(O)c1I ZINC001248493979 1035913277 /nfs/dbraw/zinc/91/32/77/1035913277.db2.gz CXEUHUNISCHGSZ-AWEZNQCLSA-N 1 2 395.240 3.952 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(O)c1I ZINC001248493980 1035913411 /nfs/dbraw/zinc/91/34/11/1035913411.db2.gz CXEUHUNISCHGSZ-CQSZACIVSA-N 1 2 395.240 3.952 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c(O)c1I ZINC001248493980 1035913415 /nfs/dbraw/zinc/91/34/15/1035913415.db2.gz CXEUHUNISCHGSZ-CQSZACIVSA-N 1 2 395.240 3.952 20 10 GHCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001462071589 1069980093 /nfs/dbraw/zinc/98/00/93/1069980093.db2.gz NIGZHVHCUSZBGA-STQMWFEESA-N 1 2 399.329 3.984 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001462071589 1069980096 /nfs/dbraw/zinc/98/00/96/1069980096.db2.gz NIGZHVHCUSZBGA-STQMWFEESA-N 1 2 399.329 3.984 20 10 GHCDLO COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)[NH2+]Cc1cc(C)cc(OC)c1O ZINC001462112688 1070001607 /nfs/dbraw/zinc/00/16/07/1070001607.db2.gz HIPKDXSAGOAXNB-YLJYHZDGSA-N 1 2 383.488 3.851 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(OCc4ccccc4)no3)CC2)cc1 ZINC001232449306 1038231654 /nfs/dbraw/zinc/23/16/54/1038231654.db2.gz WWZVPVGBYHYUDY-UHFFFAOYSA-N 1 2 379.460 3.584 20 10 GHCDLO CN(C)c1ccc(C[N@H+](C)Cc2c3c(ccc2Br)OCO3)cc1 ZINC001233144595 1038923475 /nfs/dbraw/zinc/92/34/75/1038923475.db2.gz AJJCHUIXNSDUND-UHFFFAOYSA-N 1 2 377.282 3.876 20 10 GHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2c3c(ccc2Br)OCO3)cc1 ZINC001233144595 1038923476 /nfs/dbraw/zinc/92/34/76/1038923476.db2.gz AJJCHUIXNSDUND-UHFFFAOYSA-N 1 2 377.282 3.876 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c1O ZINC001233288200 1039067327 /nfs/dbraw/zinc/06/73/27/1039067327.db2.gz BPADJZMTWDAGEB-WAOWUJCRSA-N 1 2 395.927 3.993 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c1O ZINC001233288200 1039067343 /nfs/dbraw/zinc/06/73/43/1039067343.db2.gz BPADJZMTWDAGEB-WAOWUJCRSA-N 1 2 395.927 3.993 20 10 GHCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC001233332336 1039129214 /nfs/dbraw/zinc/12/92/14/1039129214.db2.gz HNDHWUSYIKIPEJ-UHFFFAOYSA-N 1 2 383.236 3.755 20 10 GHCDLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233335682 1039138805 /nfs/dbraw/zinc/13/88/05/1039138805.db2.gz GXWSQAVBFIUXNX-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233335682 1039138831 /nfs/dbraw/zinc/13/88/31/1039138831.db2.gz GXWSQAVBFIUXNX-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001278686298 1039245064 /nfs/dbraw/zinc/24/50/64/1039245064.db2.gz CPYRBRCMJNFWQK-AGUYFDCRSA-N 1 2 379.476 3.721 20 10 GHCDLO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001278686298 1039245073 /nfs/dbraw/zinc/24/50/73/1039245073.db2.gz CPYRBRCMJNFWQK-AGUYFDCRSA-N 1 2 379.476 3.721 20 10 GHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001254622815 1040394421 /nfs/dbraw/zinc/39/44/21/1040394421.db2.gz CVSPJNDKTILFAK-JOCHJYFZSA-N 1 2 391.519 3.922 20 10 GHCDLO COc1ccc(CC[N@H+](C)Cc2cc(F)cc(Br)c2O)cc1OC ZINC001235297581 1040770030 /nfs/dbraw/zinc/77/00/30/1040770030.db2.gz NSPAJWKVKCJETD-UHFFFAOYSA-N 1 2 398.272 3.986 20 10 GHCDLO COc1ccc(CC[N@@H+](C)Cc2cc(F)cc(Br)c2O)cc1OC ZINC001235297581 1040770046 /nfs/dbraw/zinc/77/00/46/1040770046.db2.gz NSPAJWKVKCJETD-UHFFFAOYSA-N 1 2 398.272 3.986 20 10 GHCDLO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C[C@@H]1C ZINC001235307104 1040781704 /nfs/dbraw/zinc/78/17/04/1040781704.db2.gz KWGYTFLZLPMWLN-NWDGAFQWSA-N 1 2 388.277 3.705 20 10 GHCDLO CN(Cc1cc(Br)cc(C(F)(F)F)c1O)[C@]1(C)CCC[NH2+]C1 ZINC001236205031 1041618569 /nfs/dbraw/zinc/61/85/69/1041618569.db2.gz FHYTYQZGTBDLRU-CQSZACIVSA-N 1 2 381.236 3.747 20 10 GHCDLO COc1cc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c(O)cc1Br ZINC001236749452 1041871667 /nfs/dbraw/zinc/87/16/67/1041871667.db2.gz FCIZKELOHCHXSC-GFCCVEGCSA-N 1 2 382.298 3.887 20 10 GHCDLO COc1cc(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)c(O)cc1Br ZINC001236749452 1041871672 /nfs/dbraw/zinc/87/16/72/1041871672.db2.gz FCIZKELOHCHXSC-GFCCVEGCSA-N 1 2 382.298 3.887 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236808355 1041908537 /nfs/dbraw/zinc/90/85/37/1041908537.db2.gz XIWQJSVRQMGTGD-TZMCWYRMSA-N 1 2 384.904 3.789 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236808355 1041908540 /nfs/dbraw/zinc/90/85/40/1041908540.db2.gz XIWQJSVRQMGTGD-TZMCWYRMSA-N 1 2 384.904 3.789 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCN(c2noc3ccccc32)CC1 ZINC001237121591 1042050177 /nfs/dbraw/zinc/05/01/77/1042050177.db2.gz XYSOTXRJPJEUSF-UHFFFAOYSA-N 1 2 393.365 3.754 20 10 GHCDLO Cn1ccc(CN2CCCC23CC[NH+](Cc2c(O)ccc(F)c2Cl)CC3)n1 ZINC001237125725 1042054005 /nfs/dbraw/zinc/05/40/05/1042054005.db2.gz UVUHZYPLGMTFNB-UHFFFAOYSA-N 1 2 392.906 3.549 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(OC)c3Cl)CC2)c(OC)c1 ZINC001237197767 1042088844 /nfs/dbraw/zinc/08/88/44/1042088844.db2.gz PKPPOSOPNODNEL-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO COC(=O)CC[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1O)C1CC1 ZINC001237787821 1042370249 /nfs/dbraw/zinc/37/02/49/1042370249.db2.gz ZKDBAYCTMRQBCS-UHFFFAOYSA-N 1 2 396.203 3.701 20 10 GHCDLO COC(=O)CC[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1O)C1CC1 ZINC001237787821 1042370255 /nfs/dbraw/zinc/37/02/55/1042370255.db2.gz ZKDBAYCTMRQBCS-UHFFFAOYSA-N 1 2 396.203 3.701 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001237799216 1042376344 /nfs/dbraw/zinc/37/63/44/1042376344.db2.gz FRWQDXVYPGTAGL-KRWDZBQOSA-N 1 2 392.858 3.782 20 10 GHCDLO CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237802705 1042378017 /nfs/dbraw/zinc/37/80/17/1042378017.db2.gz OBSFCTKFLYYSJK-LJQANCHMSA-N 1 2 392.902 3.908 20 10 GHCDLO CC[N@H+](Cc1cc(F)cc(Cl)c1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237802705 1042378021 /nfs/dbraw/zinc/37/80/21/1042378021.db2.gz OBSFCTKFLYYSJK-LJQANCHMSA-N 1 2 392.902 3.908 20 10 GHCDLO CC(C)(C)OC(=O)NC1(CC[NH2+]Cc2cccc(Cl)c2O)CCOCC1 ZINC001462650984 1070443546 /nfs/dbraw/zinc/44/35/46/1070443546.db2.gz GABKNSMTPQYQTQ-UHFFFAOYSA-N 1 2 384.904 3.599 20 10 GHCDLO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC001307490433 1049330601 /nfs/dbraw/zinc/33/06/01/1049330601.db2.gz OYYDGHHOGHNWSU-LJQANCHMSA-N 1 2 386.879 3.876 20 10 GHCDLO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC001307490433 1049330618 /nfs/dbraw/zinc/33/06/18/1049330618.db2.gz OYYDGHHOGHNWSU-LJQANCHMSA-N 1 2 386.879 3.876 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC001308370157 1049960716 /nfs/dbraw/zinc/96/07/16/1049960716.db2.gz XTTXUZWLJFZIQZ-OAHLLOKOSA-N 1 2 384.701 3.891 20 10 GHCDLO COc1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c(Br)cc1O ZINC001308455708 1049980206 /nfs/dbraw/zinc/98/02/06/1049980206.db2.gz OCLRRZQDAGBTGC-UHFFFAOYSA-N 1 2 390.636 3.951 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+]2CCNC(=O)[C@H]2CC2CCCCC2)c1O ZINC001308826278 1050110745 /nfs/dbraw/zinc/11/07/45/1050110745.db2.gz TUJQDWRZIVGTNW-QGZVFWFLSA-N 1 2 395.341 3.734 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)c1O ZINC001308826278 1050110751 /nfs/dbraw/zinc/11/07/51/1050110751.db2.gz TUJQDWRZIVGTNW-QGZVFWFLSA-N 1 2 395.341 3.734 20 10 GHCDLO C[C@@H]1COCC[N@@H+]1CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC001472972244 1057163617 /nfs/dbraw/zinc/16/36/17/1057163617.db2.gz YIKQYXPHEMKMLH-MJGOQNOKSA-N 1 2 387.549 3.542 20 10 GHCDLO C[C@@H]1COCC[N@H+]1CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC001472972244 1057163622 /nfs/dbraw/zinc/16/36/22/1057163622.db2.gz YIKQYXPHEMKMLH-MJGOQNOKSA-N 1 2 387.549 3.542 20 10 GHCDLO COc1cccc([C@@H]2CN(C(=O)c3sccc3-n3c(C)ccc3C)CC[NH2+]2)c1 ZINC001454468465 1061793865 /nfs/dbraw/zinc/79/38/65/1061793865.db2.gz IFGWETMMIOHMNG-IBGZPJMESA-N 1 2 395.528 3.951 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C1CCSCC1 ZINC001200280546 1065798528 /nfs/dbraw/zinc/79/85/28/1065798528.db2.gz BZLKYLYGMHCPMJ-UHFFFAOYSA-N 1 2 381.133 3.902 20 10 GHCDLO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[NH+]1CCOCC1 ZINC001472649743 1073595463 /nfs/dbraw/zinc/59/54/63/1073595463.db2.gz VCQXWBMIZDVTAZ-OAQYLSRUSA-N 1 2 397.475 3.595 20 10 GHCDLO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@H]1C ZINC001473403251 1073950924 /nfs/dbraw/zinc/95/09/24/1073950924.db2.gz SYSUNZOLRIFIFA-HRCADAONSA-N 1 2 390.483 3.909 20 10 GHCDLO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@H]1C ZINC001473403251 1073950926 /nfs/dbraw/zinc/95/09/26/1073950926.db2.gz SYSUNZOLRIFIFA-HRCADAONSA-N 1 2 390.483 3.909 20 10 GHCDLO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000892606493 837024084 /nfs/dbraw/zinc/02/40/84/837024084.db2.gz IUSRUZBBDWMYMK-UHFFFAOYSA-N 1 2 398.454 3.561 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1F ZINC000731404446 861612833 /nfs/dbraw/zinc/61/28/33/861612833.db2.gz CPDRDGLNBRDBEW-UHFFFAOYSA-N 1 2 388.487 3.692 20 10 GHCDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000271831132 846930076 /nfs/dbraw/zinc/93/00/76/846930076.db2.gz OVNPNUXUBKEWSA-KWQFWETISA-N 1 2 379.092 3.574 20 10 GHCDLO Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000273356900 847315350 /nfs/dbraw/zinc/31/53/50/847315350.db2.gz CWEHPYWEZILTLO-MRVPVSSYSA-N 1 2 389.091 3.800 20 10 GHCDLO CN(C)c1ccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000282336516 858507059 /nfs/dbraw/zinc/50/70/59/858507059.db2.gz XDQRYNZIYJQNOT-KRWDZBQOSA-N 1 2 399.514 3.514 20 10 GHCDLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc(Br)c1O ZINC000768168949 873126937 /nfs/dbraw/zinc/12/69/37/873126937.db2.gz AHXQTBINALOFJS-UHFFFAOYSA-N 1 2 383.673 3.879 20 10 GHCDLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc(Br)c1O ZINC000768168949 873126946 /nfs/dbraw/zinc/12/69/46/873126946.db2.gz AHXQTBINALOFJS-UHFFFAOYSA-N 1 2 383.673 3.879 20 10 GHCDLO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000769238754 873913312 /nfs/dbraw/zinc/91/33/12/873913312.db2.gz DLPGMGZDVATSHB-FQEVSTJZSA-N 1 2 377.444 3.893 20 10 GHCDLO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000769238754 873913316 /nfs/dbraw/zinc/91/33/16/873913316.db2.gz DLPGMGZDVATSHB-FQEVSTJZSA-N 1 2 377.444 3.893 20 10 GHCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000769480672 874062222 /nfs/dbraw/zinc/06/22/22/874062222.db2.gz OISQRRCYFAMYND-UHFFFAOYSA-N 1 2 396.512 3.882 20 10 GHCDLO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000776024793 875183267 /nfs/dbraw/zinc/18/32/67/875183267.db2.gz VVJVXVGJMQBFDC-UHFFFAOYSA-N 1 2 388.826 3.998 20 10 GHCDLO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776175356 875693317 /nfs/dbraw/zinc/69/33/17/875693317.db2.gz ZJYAXZXRDLAZHO-OTYXRUKQSA-N 1 2 395.135 3.804 20 10 GHCDLO COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201500202 875721309 /nfs/dbraw/zinc/72/13/09/875721309.db2.gz VJMBKSVSYRUCFU-UHFFFAOYSA-N 1 2 382.508 3.928 20 10 GHCDLO C[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)cc(F)c1O ZINC000850500316 876975442 /nfs/dbraw/zinc/97/54/42/876975442.db2.gz FSVGWMAYCYPFSH-ZUZCIYMTSA-N 1 2 393.256 3.532 20 10 GHCDLO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179932113 878215018 /nfs/dbraw/zinc/21/50/18/878215018.db2.gz QTGMRRPVOIQLKW-UHFFFAOYSA-N 1 2 382.357 3.508 20 10 GHCDLO COC(=O)C[N@H+](Cc1cccc(Br)c1)Cc1cccc(C)c1O ZINC000789594347 879102550 /nfs/dbraw/zinc/10/25/50/879102550.db2.gz KYAIMVNJXANWOQ-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO COC(=O)C[N@@H+](Cc1cccc(Br)c1)Cc1cccc(C)c1O ZINC000789594347 879102557 /nfs/dbraw/zinc/10/25/57/879102557.db2.gz KYAIMVNJXANWOQ-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2C)cc1 ZINC000152775520 879680178 /nfs/dbraw/zinc/68/01/78/879680178.db2.gz QOUZNVHZYVURRE-SFHVURJKSA-N 1 2 390.487 3.506 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC001183455147 912549076 /nfs/dbraw/zinc/54/90/76/912549076.db2.gz PZTOUHUWYDGGMX-UHFFFAOYSA-N 1 2 389.293 3.507 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC001183455147 912549094 /nfs/dbraw/zinc/54/90/94/912549094.db2.gz PZTOUHUWYDGGMX-UHFFFAOYSA-N 1 2 389.293 3.507 20 10 GHCDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NCc1c(O)ccc2c1CCCC2 ZINC000175182647 883391019 /nfs/dbraw/zinc/39/10/19/883391019.db2.gz BSURETCSJQUXKQ-UHFFFAOYSA-N 1 2 394.519 3.656 20 10 GHCDLO Cc1cc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC000858906227 883445292 /nfs/dbraw/zinc/44/52/92/883445292.db2.gz QYSUEIALXDBAPO-LJQANCHMSA-N 1 2 391.519 3.917 20 10 GHCDLO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1cccc(Cl)c1O ZINC000806133206 884354005 /nfs/dbraw/zinc/35/40/05/884354005.db2.gz JAADDUZHVLKJHL-SFHVURJKSA-N 1 2 396.940 3.973 20 10 GHCDLO CC[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(Cl)c1O ZINC000806139654 884386681 /nfs/dbraw/zinc/38/66/81/884386681.db2.gz CDYXHYXFSXONRG-YYWHXJBOSA-N 1 2 388.939 3.969 20 10 GHCDLO CS(=O)(=O)c1ccc([C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)cc1 ZINC000862440112 886382724 /nfs/dbraw/zinc/38/27/24/886382724.db2.gz YKVAFUIPJGVPPB-QFIPXVFZSA-N 1 2 397.496 3.522 20 10 GHCDLO CS(=O)(=O)c1ccc([C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)cc1 ZINC000862440112 886382745 /nfs/dbraw/zinc/38/27/45/886382745.db2.gz YKVAFUIPJGVPPB-QFIPXVFZSA-N 1 2 397.496 3.522 20 10 GHCDLO CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1O ZINC000287304407 913249136 /nfs/dbraw/zinc/24/91/36/913249136.db2.gz CNVHVYVFFHEDNZ-KRWDZBQOSA-N 1 2 379.863 3.657 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C)c3C)CC2)cc1F ZINC000121983229 889269075 /nfs/dbraw/zinc/26/90/75/889269075.db2.gz KEZQIUJOGZAFCJ-KRWDZBQOSA-N 1 2 385.483 3.600 20 10 GHCDLO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1O ZINC000287578066 913418885 /nfs/dbraw/zinc/41/88/85/913418885.db2.gz HFEQDCHHEGZOME-KRWDZBQOSA-N 1 2 382.913 3.537 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077463 891142766 /nfs/dbraw/zinc/14/27/66/891142766.db2.gz IQTAMHBXRGNGFX-LBPRGKRZSA-N 1 2 395.381 3.700 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077462 891143132 /nfs/dbraw/zinc/14/31/32/891143132.db2.gz IQTAMHBXRGNGFX-GFCCVEGCSA-N 1 2 395.381 3.700 20 10 GHCDLO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000877836426 893840140 /nfs/dbraw/zinc/84/01/40/893840140.db2.gz WZTGVPXYBPCSNO-SNVBAGLBSA-N 1 2 393.119 3.510 20 10 GHCDLO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000877836426 893840154 /nfs/dbraw/zinc/84/01/54/893840154.db2.gz WZTGVPXYBPCSNO-SNVBAGLBSA-N 1 2 393.119 3.510 20 10 GHCDLO COC1([C@@H](C)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CCOCC1 ZINC000817587791 895757459 /nfs/dbraw/zinc/75/74/59/895757459.db2.gz IDGOBDSRSACGBV-GHMZBOCLSA-N 1 2 376.266 3.529 20 10 GHCDLO C[N@H+](Cc1cccc(Br)c1O)C1CCN(CC(F)(F)F)CC1 ZINC000825294380 900076173 /nfs/dbraw/zinc/07/61/73/900076173.db2.gz PERFCZKTBAQRMO-UHFFFAOYSA-N 1 2 381.236 3.613 20 10 GHCDLO C[N@@H+](Cc1cccc(Br)c1O)C1CCN(CC(F)(F)F)CC1 ZINC000825294380 900076178 /nfs/dbraw/zinc/07/61/78/900076178.db2.gz PERFCZKTBAQRMO-UHFFFAOYSA-N 1 2 381.236 3.613 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1O ZINC001144307606 901696974 /nfs/dbraw/zinc/69/69/74/901696974.db2.gz BPQFPLIAXZVDFI-GFCCVEGCSA-N 1 2 388.277 3.990 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1O ZINC001144307606 901696987 /nfs/dbraw/zinc/69/69/87/901696987.db2.gz BPQFPLIAXZVDFI-GFCCVEGCSA-N 1 2 388.277 3.990 20 10 GHCDLO COc1cc(OC)cc([C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)c2nccn2C)c1 ZINC000846139343 902745395 /nfs/dbraw/zinc/74/53/95/902745395.db2.gz RNDRITUYNIHIDB-JLTOFOAXSA-N 1 2 397.475 3.592 20 10 GHCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000266675850 909255189 /nfs/dbraw/zinc/25/51/89/909255189.db2.gz PCPWPFMEGXCGKC-UHFFFAOYSA-N 1 2 395.551 3.868 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(C)(O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000759769190 930483176 /nfs/dbraw/zinc/48/31/76/930483176.db2.gz XGXRAURZTZGQAX-UHFFFAOYSA-N 1 2 392.446 3.725 20 10 GHCDLO CC[NH+](CC)C[C@@H](C)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227030045 1032244111 /nfs/dbraw/zinc/24/41/11/1032244111.db2.gz XNHJFRCZMLLJNQ-CYBMUJFWSA-N 1 2 399.443 3.686 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001204338552 1032779633 /nfs/dbraw/zinc/77/96/33/1032779633.db2.gz KJFSOMVOCNFVEY-QGZVFWFLSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001204338552 1032779646 /nfs/dbraw/zinc/77/96/46/1032779646.db2.gz KJFSOMVOCNFVEY-QGZVFWFLSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(OC)c(C[C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2O)c(OC)c1 ZINC000834881490 1021606206 /nfs/dbraw/zinc/60/62/06/1021606206.db2.gz QPSPIYXLFNMCAK-VXGBXAGGSA-N 1 2 381.419 3.978 20 10 GHCDLO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3c(O)cc(F)cc3F)C2)CC1 ZINC001140583975 1022007471 /nfs/dbraw/zinc/00/74/71/1022007471.db2.gz AEODHBORRRBMRV-UHFFFAOYSA-N 1 2 382.451 3.893 20 10 GHCDLO C[C@@H]([NH2+]C1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCOCC1)c1ccccc1 ZINC000756594825 1023727638 /nfs/dbraw/zinc/72/76/38/1023727638.db2.gz PLTQOYPTIQLKEO-IAGOWNOFSA-N 1 2 399.491 3.851 20 10 GHCDLO CC(C)c1nc(CC[N@H+](C)Cc2cc(Cl)cc(Br)c2O)no1 ZINC001141367681 1024741215 /nfs/dbraw/zinc/74/12/15/1024741215.db2.gz LYRRQCUIBZVIBI-UHFFFAOYSA-N 1 2 388.693 3.989 20 10 GHCDLO CC(C)c1nc(CC[N@@H+](C)Cc2cc(Cl)cc(Br)c2O)no1 ZINC001141367681 1024741232 /nfs/dbraw/zinc/74/12/32/1024741232.db2.gz LYRRQCUIBZVIBI-UHFFFAOYSA-N 1 2 388.693 3.989 20 10 GHCDLO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)[C@H]1C ZINC001141373052 1024761805 /nfs/dbraw/zinc/76/18/05/1024761805.db2.gz KVBREJAJYJFRMY-JOYOIKCWSA-N 1 2 376.678 3.582 20 10 GHCDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)[C@H]1C ZINC001141373052 1024761812 /nfs/dbraw/zinc/76/18/12/1024761812.db2.gz KVBREJAJYJFRMY-JOYOIKCWSA-N 1 2 376.678 3.582 20 10 GHCDLO CCN(CC)c1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)c(OC)c1 ZINC001138389216 1024764100 /nfs/dbraw/zinc/76/41/00/1024764100.db2.gz FVSRFXZQNOHQMN-UHFFFAOYSA-N 1 2 388.943 3.912 20 10 GHCDLO Oc1ccc(F)cc1C[N@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001140062635 1026842291 /nfs/dbraw/zinc/84/22/91/1026842291.db2.gz CDHOIYMUQJNESC-SFHVURJKSA-N 1 2 385.483 3.664 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1c(F)cccc1I)CC2 ZINC001140089515 1026867450 /nfs/dbraw/zinc/86/74/50/1026867450.db2.gz FPZWDLDQOMHPQS-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1c(F)cccc1I)CC2 ZINC001140089515 1026867459 /nfs/dbraw/zinc/86/74/59/1026867459.db2.gz FPZWDLDQOMHPQS-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cccc(Br)c1C[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC001140101613 1026880619 /nfs/dbraw/zinc/88/06/19/1026880619.db2.gz ZGYJFKRGBNRKRZ-UHFFFAOYSA-N 1 2 383.236 3.755 20 10 GHCDLO Cc1ncsc1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461177377 1069428092 /nfs/dbraw/zinc/42/80/92/1069428092.db2.gz HDXUPDGYACNIHK-UHFFFAOYSA-N 1 2 392.116 3.972 20 10 GHCDLO C[C@H]1C[N@H+](CCSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CCO1 ZINC000840157432 1027291925 /nfs/dbraw/zinc/29/19/25/1027291925.db2.gz VDPINSADINCXMW-PKOBYXMFSA-N 1 2 387.549 3.542 20 10 GHCDLO C[C@H]1C[N@@H+](CCSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CCO1 ZINC000840157432 1027291938 /nfs/dbraw/zinc/29/19/38/1027291938.db2.gz VDPINSADINCXMW-PKOBYXMFSA-N 1 2 387.549 3.542 20 10 GHCDLO CC(C)(C)C[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461358617 1069517502 /nfs/dbraw/zinc/51/75/02/1069517502.db2.gz REQAJFKWCKPURK-LLVKDONJSA-N 1 2 395.135 3.804 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)cc(Cl)c1O ZINC000842887331 1029663165 /nfs/dbraw/zinc/66/31/65/1029663165.db2.gz YMSROECVFVQKLJ-TVQRCGJNSA-N 1 2 389.721 3.858 20 10 GHCDLO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001217988542 1030707083 /nfs/dbraw/zinc/70/70/83/1030707083.db2.gz OMZRUSNIYMXUQS-CXAGYDPISA-N 1 2 381.428 3.638 20 10 GHCDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(Br)c1O ZINC001276943953 1030871914 /nfs/dbraw/zinc/87/19/14/1030871914.db2.gz FGACAGYPYFZKEX-IUIKQTSFSA-N 1 2 399.304 3.658 20 10 GHCDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(Br)c1O ZINC001276943953 1030871937 /nfs/dbraw/zinc/87/19/37/1030871937.db2.gz FGACAGYPYFZKEX-IUIKQTSFSA-N 1 2 399.304 3.658 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)Cc2cn(CC3CC3)nc21 ZINC001231910854 1034986045 /nfs/dbraw/zinc/98/60/45/1034986045.db2.gz XNKGULBQPDABDI-QGZVFWFLSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)Cc2cn(CC3CC3)nc21 ZINC001231910854 1034986049 /nfs/dbraw/zinc/98/60/49/1034986049.db2.gz XNKGULBQPDABDI-QGZVFWFLSA-N 1 2 375.900 3.788 20 10 GHCDLO Oc1c(Cl)cccc1C[NH+]1CCC(Oc2ncc(Br)cn2)CC1 ZINC001231911813 1034986710 /nfs/dbraw/zinc/98/67/10/1034986710.db2.gz NUFTYPDHEYFVJZ-UHFFFAOYSA-N 1 2 398.688 3.642 20 10 GHCDLO Cc1cc(C)c(CNc2cc(N3CCN(c4ccccc4)CC3)nc[nH+]2)c(O)c1 ZINC001160811780 1035071274 /nfs/dbraw/zinc/07/12/74/1035071274.db2.gz XQMDPNKTXVMOKX-UHFFFAOYSA-N 1 2 389.503 3.738 20 10 GHCDLO Cc1cc(C)c(CNc2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)c(O)c1 ZINC001160811780 1035071281 /nfs/dbraw/zinc/07/12/81/1035071281.db2.gz XQMDPNKTXVMOKX-UHFFFAOYSA-N 1 2 389.503 3.738 20 10 GHCDLO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232267555 1037989588 /nfs/dbraw/zinc/98/95/88/1037989588.db2.gz JHCOANYLXAELOB-KRWDZBQOSA-N 1 2 388.895 3.593 20 10 GHCDLO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232267555 1037989593 /nfs/dbraw/zinc/98/95/93/1037989593.db2.gz JHCOANYLXAELOB-KRWDZBQOSA-N 1 2 388.895 3.593 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(C)c(F)cc3F)CC2)cc1 ZINC001232786351 1038552076 /nfs/dbraw/zinc/55/20/76/1038552076.db2.gz LQHUSGUEQDVTBX-UHFFFAOYSA-N 1 2 376.447 3.621 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233030590 1038782144 /nfs/dbraw/zinc/78/21/44/1038782144.db2.gz ZNMJZSUGLFIXHK-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233030590 1038782160 /nfs/dbraw/zinc/78/21/60/1038782160.db2.gz ZNMJZSUGLFIXHK-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO Oc1c(C[N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)ccc(F)c1F ZINC001233077697 1038842869 /nfs/dbraw/zinc/84/28/69/1038842869.db2.gz WRGUGFALCLEDRO-UHFFFAOYSA-N 1 2 387.352 3.797 20 10 GHCDLO COc1cc(O)c(C[N@H+](CCN(C)C)Cc2ccccc2)cc1Br ZINC001233135659 1038918105 /nfs/dbraw/zinc/91/81/05/1038918105.db2.gz XJLBFCXBECNCHB-UHFFFAOYSA-N 1 2 393.325 3.727 20 10 GHCDLO COc1cc(O)c(C[N@@H+](CCN(C)C)Cc2ccccc2)cc1Br ZINC001233135659 1038918107 /nfs/dbraw/zinc/91/81/07/1038918107.db2.gz XJLBFCXBECNCHB-UHFFFAOYSA-N 1 2 393.325 3.727 20 10 GHCDLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233194602 1038962183 /nfs/dbraw/zinc/96/21/83/1038962183.db2.gz ZHYPQJYDISKLRX-INIZCTEOSA-N 1 2 386.236 3.900 20 10 GHCDLO C[C@@]1(CO)CC(F)(F)C[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233194602 1038962188 /nfs/dbraw/zinc/96/21/88/1038962188.db2.gz ZHYPQJYDISKLRX-INIZCTEOSA-N 1 2 386.236 3.900 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001233216545 1038977154 /nfs/dbraw/zinc/97/71/54/1038977154.db2.gz ABVVEYJFJBXQHX-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001233216545 1038977158 /nfs/dbraw/zinc/97/71/58/1038977158.db2.gz ABVVEYJFJBXQHX-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO CCOC(=O)c1c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c2ccccc2n1C ZINC001233272550 1039040770 /nfs/dbraw/zinc/04/07/70/1039040770.db2.gz PIQLNJHIEHAZFD-UHFFFAOYSA-N 1 2 396.409 3.698 20 10 GHCDLO Oc1c(CN2CCn3cc(C[NH+]4CCCCC4)nc3C2)cccc1C(F)(F)F ZINC001233417066 1039275826 /nfs/dbraw/zinc/27/58/26/1039275826.db2.gz GUCQUQZZEFVLOH-UHFFFAOYSA-N 1 2 394.441 3.609 20 10 GHCDLO CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833414 1039868360 /nfs/dbraw/zinc/86/83/60/1039868360.db2.gz HYWYJCYEMPBWDS-XOBRGWDASA-N 1 2 380.916 3.810 20 10 GHCDLO CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833414 1039868389 /nfs/dbraw/zinc/86/83/89/1039868389.db2.gz HYWYJCYEMPBWDS-XOBRGWDASA-N 1 2 380.916 3.810 20 10 GHCDLO CC(C)OCC[NH+](CCOC(C)C)Cc1cc(Br)cc(F)c1O ZINC001235065638 1040555041 /nfs/dbraw/zinc/55/50/41/1040555041.db2.gz QYQMQKXHHJOSEJ-UHFFFAOYSA-N 1 2 392.309 3.946 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001235066183 1040555799 /nfs/dbraw/zinc/55/57/99/1040555799.db2.gz YNENSKMUZMTXJU-HNNXBMFYSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001235066183 1040555815 /nfs/dbraw/zinc/55/58/15/1040555815.db2.gz YNENSKMUZMTXJU-HNNXBMFYSA-N 1 2 381.245 3.732 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC001235066790 1040557247 /nfs/dbraw/zinc/55/72/47/1040557247.db2.gz NJHYEUHBZRRKNL-CYBMUJFWSA-N 1 2 388.277 3.990 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC001235066790 1040557257 /nfs/dbraw/zinc/55/72/57/1040557257.db2.gz NJHYEUHBZRRKNL-CYBMUJFWSA-N 1 2 388.277 3.990 20 10 GHCDLO COC(=O)c1cccc(C[N@H+](C)Cc2cc(Br)cc(F)c2O)c1 ZINC001235066832 1040558143 /nfs/dbraw/zinc/55/81/43/1040558143.db2.gz OIZLDSQZYZRGCY-UHFFFAOYSA-N 1 2 382.229 3.712 20 10 GHCDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cc(Br)cc(F)c2O)c1 ZINC001235066832 1040558145 /nfs/dbraw/zinc/55/81/45/1040558145.db2.gz OIZLDSQZYZRGCY-UHFFFAOYSA-N 1 2 382.229 3.712 20 10 GHCDLO C[C@@H](C[N@H+](C)Cc1cc(Br)cc(F)c1O)NC(=O)OC(C)(C)C ZINC001462479614 1070289087 /nfs/dbraw/zinc/28/90/87/1070289087.db2.gz HPLUBKBIZXZNDW-JTQLQIEISA-N 1 2 391.281 3.639 20 10 GHCDLO C[C@@H](C[N@@H+](C)Cc1cc(Br)cc(F)c1O)NC(=O)OC(C)(C)C ZINC001462479614 1070289104 /nfs/dbraw/zinc/28/91/04/1070289104.db2.gz HPLUBKBIZXZNDW-JTQLQIEISA-N 1 2 391.281 3.639 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001235300811 1040773193 /nfs/dbraw/zinc/77/31/93/1040773193.db2.gz BVTFIRLQUIDHDU-UHFFFAOYSA-N 1 2 398.247 3.917 20 10 GHCDLO COC(=O)c1ccc(C2C[NH+](Cc3cc(F)cc(Br)c3O)C2)cc1 ZINC001235306325 1040777625 /nfs/dbraw/zinc/77/76/25/1040777625.db2.gz TUOSPOVDQXUXTL-UHFFFAOYSA-N 1 2 394.240 3.680 20 10 GHCDLO Oc1c(F)c(F)ccc1CN1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC001235799979 1041302961 /nfs/dbraw/zinc/30/29/61/1041302961.db2.gz MNKYEJKIKBZOBO-OAHLLOKOSA-N 1 2 383.236 3.579 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235856744 1041385998 /nfs/dbraw/zinc/38/59/98/1041385998.db2.gz ZYZFYNRBUPHMGK-MRXNPFEDSA-N 1 2 381.701 3.955 20 10 GHCDLO COc1cc(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c(O)cc1Br ZINC001236749453 1041872257 /nfs/dbraw/zinc/87/22/57/1041872257.db2.gz FCIZKELOHCHXSC-LBPRGKRZSA-N 1 2 382.298 3.887 20 10 GHCDLO COc1cc(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c(O)cc1Br ZINC001236749453 1041872265 /nfs/dbraw/zinc/87/22/65/1041872265.db2.gz FCIZKELOHCHXSC-LBPRGKRZSA-N 1 2 382.298 3.887 20 10 GHCDLO COc1cnc(OC2CC[NH+](Cc3cc(Cl)c(Cl)cc3O)CC2)nc1 ZINC001236801188 1041903374 /nfs/dbraw/zinc/90/33/74/1041903374.db2.gz BJXNRYFNBFFHKH-UHFFFAOYSA-N 1 2 384.263 3.541 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236808352 1041908705 /nfs/dbraw/zinc/90/87/05/1041908705.db2.gz XIWQJSVRQMGTGD-OCCSQVGLSA-N 1 2 384.904 3.789 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236808352 1041908706 /nfs/dbraw/zinc/90/87/06/1041908706.db2.gz XIWQJSVRQMGTGD-OCCSQVGLSA-N 1 2 384.904 3.789 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)c(O)c1Cl ZINC001236807867 1041908950 /nfs/dbraw/zinc/90/89/50/1041908950.db2.gz UKQOGMSOMAFTAP-WMZOPIPTSA-N 1 2 388.895 3.678 20 10 GHCDLO COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)c(O)c1Cl ZINC001236807867 1041908952 /nfs/dbraw/zinc/90/89/52/1041908952.db2.gz UKQOGMSOMAFTAP-WMZOPIPTSA-N 1 2 388.895 3.678 20 10 GHCDLO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(OC)c(Cl)c3O)C2)n1 ZINC001236810276 1041910692 /nfs/dbraw/zinc/91/06/92/1041910692.db2.gz RBXUJAREJQQJJC-CQSZACIVSA-N 1 2 378.856 3.501 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237050645 1042008820 /nfs/dbraw/zinc/00/88/20/1042008820.db2.gz DKGSLVVWYDNXMM-UHFFFAOYSA-N 1 2 397.393 3.899 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237050645 1042008827 /nfs/dbraw/zinc/00/88/27/1042008827.db2.gz DKGSLVVWYDNXMM-UHFFFAOYSA-N 1 2 397.393 3.899 20 10 GHCDLO COc1cc(O)c(C[NH+]2CCN(c3ccccc3F)CC2)c(Br)c1 ZINC001237061225 1042015308 /nfs/dbraw/zinc/01/53/08/1042015308.db2.gz ZOYLACYHJKVQAY-UHFFFAOYSA-N 1 2 395.272 3.625 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(Br)c1 ZINC001237066899 1042018237 /nfs/dbraw/zinc/01/82/37/1042018237.db2.gz DJCHVMJVXGWODK-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c(Br)c1 ZINC001237066899 1042018239 /nfs/dbraw/zinc/01/82/39/1042018239.db2.gz DJCHVMJVXGWODK-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001237620105 1042287227 /nfs/dbraw/zinc/28/72/27/1042287227.db2.gz JAXPKZQOLJYWLL-UHFFFAOYSA-N 1 2 384.842 3.638 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001237620105 1042287236 /nfs/dbraw/zinc/28/72/36/1042287236.db2.gz JAXPKZQOLJYWLL-UHFFFAOYSA-N 1 2 384.842 3.638 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)c1O ZINC001237678602 1042319856 /nfs/dbraw/zinc/31/98/56/1042319856.db2.gz CPEQNATXQWFWBE-MRXNPFEDSA-N 1 2 375.900 3.614 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)c1O ZINC001237678602 1042319859 /nfs/dbraw/zinc/31/98/59/1042319859.db2.gz CPEQNATXQWFWBE-MRXNPFEDSA-N 1 2 375.900 3.614 20 10 GHCDLO CCOC(=O)c1coc(C2CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)n1 ZINC001237802767 1042378399 /nfs/dbraw/zinc/37/83/99/1042378399.db2.gz OXXSZOORWVCTCH-UHFFFAOYSA-N 1 2 382.819 3.729 20 10 GHCDLO CN1C(=O)C2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)[C@H]1c1ccccc1 ZINC001237815086 1042382782 /nfs/dbraw/zinc/38/27/82/1042382782.db2.gz VTQSVWQORROITO-LJQANCHMSA-N 1 2 388.870 3.980 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)Cc2c1cnn2CC1CC1 ZINC001237936483 1042428099 /nfs/dbraw/zinc/42/80/99/1042428099.db2.gz CVSRZNNYFDWVIA-HNNXBMFYSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)Cc2c1cnn2CC1CC1 ZINC001237936483 1042428105 /nfs/dbraw/zinc/42/81/05/1042428105.db2.gz CVSRZNNYFDWVIA-HNNXBMFYSA-N 1 2 393.890 3.927 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC001292946767 1043958278 /nfs/dbraw/zinc/95/82/78/1043958278.db2.gz LKCSHLGOYINVBB-UHFFFAOYSA-N 1 2 390.487 3.924 20 10 GHCDLO COc1ccc(N2CC[C@@H](Nc3nc(C)[nH+]c(C)c3Br)C2)cc1 ZINC001307164194 1049113288 /nfs/dbraw/zinc/11/32/88/1049113288.db2.gz OJSFGORMDNVZJC-CYBMUJFWSA-N 1 2 377.286 3.555 20 10 GHCDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2c(F)cccc2F)ccc1N1CCCCC1 ZINC000734847566 1049811102 /nfs/dbraw/zinc/81/11/02/1049811102.db2.gz OVTAOZUMMUGCBA-QGZVFWFLSA-N 1 2 391.418 3.687 20 10 GHCDLO COc1cccc([C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)OC)c1 ZINC001308473288 1049984063 /nfs/dbraw/zinc/98/40/63/1049984063.db2.gz BDIBQDYCABAJLQ-MRXNPFEDSA-N 1 2 384.245 3.780 20 10 GHCDLO CO[C@]12CCC[C@@]1([NH2+]Cc1cc(Cl)cc(Br)c1O)CCO2 ZINC001308936621 1050195868 /nfs/dbraw/zinc/19/58/68/1050195868.db2.gz YGEPOOIQCVZPEK-CABCVRRESA-N 1 2 376.678 3.583 20 10 GHCDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C2=CC(=O)CS2)cc1 ZINC001330809136 1051116639 /nfs/dbraw/zinc/11/66/39/1051116639.db2.gz UZPVHPPZCCTWOK-UHFFFAOYSA-N 1 2 385.489 3.782 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC001319516377 1055301396 /nfs/dbraw/zinc/30/13/96/1055301396.db2.gz XGFFOYRTPILTSH-LJQANCHMSA-N 1 2 381.520 3.851 20 10 GHCDLO Cc1c[nH+]c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)ccn12 ZINC000847407887 1065236628 /nfs/dbraw/zinc/23/66/28/1065236628.db2.gz OVHOQHAMGYMEQO-OAQYLSRUSA-N 1 2 392.503 3.530 20 10 GHCDLO C[C@H]([NH2+]Cc1noc(Cc2ccc(Br)cc2)n1)c1ccccc1O ZINC001473722687 1074107279 /nfs/dbraw/zinc/10/72/79/1074107279.db2.gz LWPMVOJIHGNRRN-LBPRGKRZSA-N 1 2 388.265 3.979 20 10 GHCDLO COc1cccc2c1OC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C2 ZINC001473979029 1074224073 /nfs/dbraw/zinc/22/40/73/1074224073.db2.gz JXTIWPBVWXHEMQ-CYBMUJFWSA-N 1 2 398.684 3.910 20 10 GHCDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2cc(F)ccc2F)ccc1N1CCCCC1 ZINC001474297950 1074329813 /nfs/dbraw/zinc/32/98/13/1074329813.db2.gz KLKSXUIYJRUMJE-SFHVURJKSA-N 1 2 391.418 3.687 20 10 GHCDLO COc1ccc(C[N@@H+]2CCc3c(F)cc(Br)cc3C2)c(O)c1OC ZINC001474354229 1074358884 /nfs/dbraw/zinc/35/88/84/1074358884.db2.gz NFVPNENOYDHIJC-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO COc1ccc(C[N@H+]2CCc3c(F)cc(Br)cc3C2)c(O)c1OC ZINC001474354229 1074358899 /nfs/dbraw/zinc/35/88/99/1074358899.db2.gz NFVPNENOYDHIJC-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO CC(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)ONC(=O)OC(C)(C)C ZINC001474586540 1074472641 /nfs/dbraw/zinc/47/26/41/1074472641.db2.gz FSCOIYWDCUPULN-CQSZACIVSA-N 1 2 376.856 3.755 20 10 GHCDLO Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000473256081 844098999 /nfs/dbraw/zinc/09/89/99/844098999.db2.gz DMEDGXRYBHOVLD-UHFFFAOYSA-N 1 2 399.498 3.549 20 10 GHCDLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000177710582 837044840 /nfs/dbraw/zinc/04/48/40/837044840.db2.gz PGVMDQQDZHDPKT-INIZCTEOSA-N 1 2 385.483 3.546 20 10 GHCDLO O=C1/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1CCc1ccccn1 ZINC000255135682 838311290 /nfs/dbraw/zinc/31/12/90/838311290.db2.gz VOWDJWHVONWSAJ-AQTBWJFISA-N 1 2 392.509 3.711 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001141372907 843270772 /nfs/dbraw/zinc/27/07/72/843270772.db2.gz DBCQVLWJSFCJQS-UHFFFAOYSA-N 1 2 395.675 3.723 20 10 GHCDLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000273356903 847315175 /nfs/dbraw/zinc/31/51/75/847315175.db2.gz CWEHPYWEZILTLO-QMMMGPOBSA-N 1 2 389.091 3.800 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000765884494 855887809 /nfs/dbraw/zinc/88/78/09/855887809.db2.gz PDBSZKIDXCXXQT-KRWDZBQOSA-N 1 2 386.565 3.711 20 10 GHCDLO O=C(C[N@@H+]1CC[C@H](N2CCCC2=O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761117739 858556576 /nfs/dbraw/zinc/55/65/76/858556576.db2.gz MPRIHGIXYZHYTQ-FQEVSTJZSA-N 1 2 391.475 3.737 20 10 GHCDLO O=C(C[N@H+]1CC[C@H](N2CCCC2=O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761117739 858556581 /nfs/dbraw/zinc/55/65/81/858556581.db2.gz MPRIHGIXYZHYTQ-FQEVSTJZSA-N 1 2 391.475 3.737 20 10 GHCDLO Cc1ccc(C[N@@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)c(O)c1 ZINC000895599246 859696161 /nfs/dbraw/zinc/69/61/61/859696161.db2.gz RECCXWLJVVLMEU-UHFFFAOYSA-N 1 2 389.521 3.740 20 10 GHCDLO Cc1ccc(C[N@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)c(O)c1 ZINC000895599246 859696174 /nfs/dbraw/zinc/69/61/74/859696174.db2.gz RECCXWLJVVLMEU-UHFFFAOYSA-N 1 2 389.521 3.740 20 10 GHCDLO CN(C)c1ccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)c(C(F)(F)F)c1 ZINC000792822245 881709457 /nfs/dbraw/zinc/70/94/57/881709457.db2.gz IOCLTRVCUXEVIE-UHFFFAOYSA-N 1 2 391.397 3.848 20 10 GHCDLO CN(C)c1ccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)c(C(F)(F)F)c1 ZINC000792822245 881709464 /nfs/dbraw/zinc/70/94/64/881709464.db2.gz IOCLTRVCUXEVIE-UHFFFAOYSA-N 1 2 391.397 3.848 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000763823657 866017813 /nfs/dbraw/zinc/01/78/13/866017813.db2.gz JMKLZYHSDJSVIF-UHFFFAOYSA-N 1 2 377.891 3.636 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000763823657 866017828 /nfs/dbraw/zinc/01/78/28/866017828.db2.gz JMKLZYHSDJSVIF-UHFFFAOYSA-N 1 2 377.891 3.636 20 10 GHCDLO CC(C)C[C@]1(C)CC(=O)N(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000740852994 866040065 /nfs/dbraw/zinc/04/00/65/866040065.db2.gz JCOOKDRBTPLTFY-HSZRJFAPSA-N 1 2 385.552 3.878 20 10 GHCDLO CC(C)C[C@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000740852994 866040080 /nfs/dbraw/zinc/04/00/80/866040080.db2.gz JCOOKDRBTPLTFY-HSZRJFAPSA-N 1 2 385.552 3.878 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000745827617 869849473 /nfs/dbraw/zinc/84/94/73/869849473.db2.gz IZYBRGNMQFKFFG-OAQYLSRUSA-N 1 2 391.519 3.578 20 10 GHCDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(Br)c1O ZINC000768304250 873221817 /nfs/dbraw/zinc/22/18/17/873221817.db2.gz VXWMZIJIZSDELK-UHFFFAOYSA-N 1 2 383.673 3.879 20 10 GHCDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(Br)c1O ZINC000768304250 873221827 /nfs/dbraw/zinc/22/18/27/873221827.db2.gz VXWMZIJIZSDELK-UHFFFAOYSA-N 1 2 383.673 3.879 20 10 GHCDLO C[N@H+](CCOCC1CC1)Cc1cc(Br)cc(Br)c1O ZINC000775728883 873245100 /nfs/dbraw/zinc/24/51/00/873245100.db2.gz YRQXCUYBWWBBDA-UHFFFAOYSA-N 1 2 393.119 3.776 20 10 GHCDLO C[N@@H+](CCOCC1CC1)Cc1cc(Br)cc(Br)c1O ZINC000775728883 873245106 /nfs/dbraw/zinc/24/51/06/873245106.db2.gz YRQXCUYBWWBBDA-UHFFFAOYSA-N 1 2 393.119 3.776 20 10 GHCDLO COc1cc(OC)cc(N2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)c1 ZINC000775732770 873279284 /nfs/dbraw/zinc/27/92/84/873279284.db2.gz AQJCMTPNWJDKTE-UHFFFAOYSA-N 1 2 376.884 3.775 20 10 GHCDLO COc1cc(OC)cc(N2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)c1 ZINC000775732770 873279289 /nfs/dbraw/zinc/27/92/89/873279289.db2.gz AQJCMTPNWJDKTE-UHFFFAOYSA-N 1 2 376.884 3.775 20 10 GHCDLO O=C(c1c(F)cccc1F)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769151717 873850736 /nfs/dbraw/zinc/85/07/36/873850736.db2.gz HUMUZQPWDUMRTE-UHFFFAOYSA-N 1 2 399.485 3.913 20 10 GHCDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3c(O)cccc3Cl)CC2)cs1 ZINC000769501889 874110453 /nfs/dbraw/zinc/11/04/53/874110453.db2.gz FJLSEZVNYHPNTK-AWEZNQCLSA-N 1 2 395.956 3.917 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000775835709 874331984 /nfs/dbraw/zinc/33/19/84/874331984.db2.gz IIDHFJYMEWKSFG-CABCVRRESA-N 1 2 377.496 3.675 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(Cl)c(OC)c(OC)c3)CC2)cc1F ZINC000770308070 874588556 /nfs/dbraw/zinc/58/85/56/874588556.db2.gz YFFCBOVYXNMHNO-UHFFFAOYSA-N 1 2 394.874 3.827 20 10 GHCDLO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCN1c1ccccc1C(F)(F)F ZINC000775983969 875038555 /nfs/dbraw/zinc/03/85/55/875038555.db2.gz QUZKGOPEIOWMRY-AWEZNQCLSA-N 1 2 384.785 3.960 20 10 GHCDLO O=C(C1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000776008380 875118529 /nfs/dbraw/zinc/11/85/29/875118529.db2.gz KQIVNQZJIFVLER-UHFFFAOYSA-N 1 2 399.413 3.929 20 10 GHCDLO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)cc(F)c1O ZINC000850562709 877027783 /nfs/dbraw/zinc/02/77/83/877027783.db2.gz PENMRTYZQAXYMK-DIFFPNOSSA-N 1 2 390.293 3.512 20 10 GHCDLO COc1ccc([C@H]2C[N@H+](Cc3c(O)cccc3Br)CCO2)cc1 ZINC001183363972 912438422 /nfs/dbraw/zinc/43/84/22/912438422.db2.gz QJZZVPOHABHIPN-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1ccc([C@H]2C[N@@H+](Cc3c(O)cccc3Br)CCO2)cc1 ZINC001183363972 912438426 /nfs/dbraw/zinc/43/84/26/912438426.db2.gz QJZZVPOHABHIPN-GOSISDBHSA-N 1 2 378.266 3.737 20 10 GHCDLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cccc(O)c1O ZINC000790668822 879899913 /nfs/dbraw/zinc/89/99/13/879899913.db2.gz NGKGUYKGXXPEGN-UHFFFAOYSA-N 1 2 395.286 3.799 20 10 GHCDLO Cc1cc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)c(C)n1-c1ccccc1 ZINC000858802229 883366131 /nfs/dbraw/zinc/36/61/31/883366131.db2.gz FXIFFOPFYLIDIY-MOPGFXCFSA-N 1 2 391.519 3.703 20 10 GHCDLO Cc1cc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)c(C)n1-c1ccccc1 ZINC000858802229 883366149 /nfs/dbraw/zinc/36/61/49/883366149.db2.gz FXIFFOPFYLIDIY-MOPGFXCFSA-N 1 2 391.519 3.703 20 10 GHCDLO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Br)cc(F)c1O ZINC000184988725 883409096 /nfs/dbraw/zinc/40/90/96/883409096.db2.gz ZIPABSRHUZDKHH-NSHDSACASA-N 1 2 391.244 3.725 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1C ZINC000858933672 883473711 /nfs/dbraw/zinc/47/37/11/883473711.db2.gz QXFIXWIYHKNVGE-UHFFFAOYSA-N 1 2 390.487 3.889 20 10 GHCDLO CC[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(Cl)c1O ZINC000806139652 884383988 /nfs/dbraw/zinc/38/39/88/884383988.db2.gz CDYXHYXFSXONRG-JRGCBEDISA-N 1 2 388.939 3.969 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(Cl)c1O ZINC000806157896 884414502 /nfs/dbraw/zinc/41/45/02/884414502.db2.gz BPNOQDFTCZCJHZ-GOSISDBHSA-N 1 2 394.924 3.826 20 10 GHCDLO Cc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c(C)n1-c1ccccc1C ZINC000914848118 884936639 /nfs/dbraw/zinc/93/66/39/884936639.db2.gz JCCLMBQJJQKDNB-UHFFFAOYSA-N 1 2 376.504 3.908 20 10 GHCDLO COC(=O)c1cccc(Cl)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000795853414 912912616 /nfs/dbraw/zinc/91/26/16/912912616.db2.gz QGFVCEOYZLGRGY-UHFFFAOYSA-N 1 2 388.895 3.595 20 10 GHCDLO COC(=O)c1cccc(Cl)c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000795853414 912912627 /nfs/dbraw/zinc/91/26/27/912912627.db2.gz QGFVCEOYZLGRGY-UHFFFAOYSA-N 1 2 388.895 3.595 20 10 GHCDLO CN(C)c1cc(F)c(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1F ZINC000862332629 886296809 /nfs/dbraw/zinc/29/68/09/886296809.db2.gz JJFOKBOIGVCXGZ-UHFFFAOYSA-N 1 2 382.401 3.793 20 10 GHCDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000863949413 887478163 /nfs/dbraw/zinc/47/81/63/887478163.db2.gz HAMXAZLQDPJZNB-HSZRJFAPSA-N 1 2 377.532 3.967 20 10 GHCDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000863949413 887478174 /nfs/dbraw/zinc/47/81/74/887478174.db2.gz HAMXAZLQDPJZNB-HSZRJFAPSA-N 1 2 377.532 3.967 20 10 GHCDLO COc1cc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2C)c(O)c(C(C)(C)C)c1 ZINC000863949768 887479856 /nfs/dbraw/zinc/47/98/56/887479856.db2.gz RTTNNQJNOSWTSP-FQEVSTJZSA-N 1 2 382.504 3.680 20 10 GHCDLO COc1cc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2C)c(O)c(C(C)(C)C)c1 ZINC000863949768 887479866 /nfs/dbraw/zinc/47/98/66/887479866.db2.gz RTTNNQJNOSWTSP-FQEVSTJZSA-N 1 2 382.504 3.680 20 10 GHCDLO OC[C@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccccc1Br ZINC000763420740 892197521 /nfs/dbraw/zinc/19/75/21/892197521.db2.gz LDOGULZBNVQTBX-LBPRGKRZSA-N 1 2 384.701 3.749 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000814172554 892323058 /nfs/dbraw/zinc/32/30/58/892323058.db2.gz SEAQLAKMOROREQ-STQMWFEESA-N 1 2 376.831 3.622 20 10 GHCDLO CCOc1ccc(C[NH+]2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)c(O)c1 ZINC000877779311 893808933 /nfs/dbraw/zinc/80/89/33/893808933.db2.gz GGFMHBUQOJKVSG-UHFFFAOYSA-N 1 2 389.517 3.538 20 10 GHCDLO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000816660357 895005664 /nfs/dbraw/zinc/00/56/64/895005664.db2.gz AKMDWQQKPWFEDM-YMTOWFKASA-N 1 2 393.119 3.558 20 10 GHCDLO CC1(c2ccc(C[NH2+]Cc3cc(Br)cc(F)c3O)cc2)OCCO1 ZINC000883193228 897358782 /nfs/dbraw/zinc/35/87/82/897358782.db2.gz REYIDEKWDYUMOB-UHFFFAOYSA-N 1 2 396.256 3.803 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1nc(Cc2ccccc2)no1)C[C@@H]1CCCO1 ZINC000109761620 898586842 /nfs/dbraw/zinc/58/68/42/898586842.db2.gz CFWDRKGNBHCNBN-IBGZPJMESA-N 1 2 379.460 3.547 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1nc(Cc2ccccc2)no1)C[C@@H]1CCCO1 ZINC000109761620 898586848 /nfs/dbraw/zinc/58/68/48/898586848.db2.gz CFWDRKGNBHCNBN-IBGZPJMESA-N 1 2 379.460 3.547 20 10 GHCDLO Cc1nc(C[NH2+]Cc2cccc(Br)c2O)sc1Br ZINC000824592092 899708027 /nfs/dbraw/zinc/70/80/27/899708027.db2.gz YPBNPVALQMBKPC-UHFFFAOYSA-N 1 2 392.116 3.972 20 10 GHCDLO Oc1cc(Br)ccc1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000824831024 899853527 /nfs/dbraw/zinc/85/35/27/899853527.db2.gz SCOHNWUIYFGUPE-UHFFFAOYSA-N 1 2 396.716 3.521 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299964 901650808 /nfs/dbraw/zinc/65/08/08/901650808.db2.gz NSJMCAWHXILPGY-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299964 901650828 /nfs/dbraw/zinc/65/08/28/901650828.db2.gz NSJMCAWHXILPGY-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000779144755 904627856 /nfs/dbraw/zinc/62/78/56/904627856.db2.gz OIYZAZCSFPPVSX-GOTSBHOMSA-N 1 2 396.531 3.866 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000779144755 904627863 /nfs/dbraw/zinc/62/78/63/904627863.db2.gz OIYZAZCSFPPVSX-GOTSBHOMSA-N 1 2 396.531 3.866 20 10 GHCDLO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc2)C[C@@H](C)O1 ZINC000180844973 906858333 /nfs/dbraw/zinc/85/83/33/906858333.db2.gz CNPMTGCBDBDSRK-HUUCEWRRSA-N 1 2 388.895 3.585 20 10 GHCDLO CCOc1ccc(C[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C(=O)OC)cc1 ZINC000779431538 907033934 /nfs/dbraw/zinc/03/39/34/907033934.db2.gz JTGRBXMUCKNFBS-INIZCTEOSA-N 1 2 377.868 3.566 20 10 GHCDLO COc1cccc(-n2nc(C)c([C@H]3COCC[N@@H+]3Cc3ccccc3O)c2C)c1 ZINC000779612887 907885301 /nfs/dbraw/zinc/88/53/01/907885301.db2.gz KBFPPIAZUBKDKQ-OAQYLSRUSA-N 1 2 393.487 3.777 20 10 GHCDLO COc1cccc(-n2nc(C)c([C@H]3COCC[N@H+]3Cc3ccccc3O)c2C)c1 ZINC000779612887 907885317 /nfs/dbraw/zinc/88/53/17/907885317.db2.gz KBFPPIAZUBKDKQ-OAQYLSRUSA-N 1 2 393.487 3.777 20 10 GHCDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773617030 908423654 /nfs/dbraw/zinc/42/36/54/908423654.db2.gz MMOYZDQCDPJELU-DLBZAZTESA-N 1 2 386.565 3.964 20 10 GHCDLO O=C(NCc1cc(Cl)c2cccnc2c1O)c1ccccc1-n1cc[nH+]c1 ZINC001190106806 917099805 /nfs/dbraw/zinc/09/98/05/917099805.db2.gz KLZDMDGEJGRLIA-UHFFFAOYSA-N 1 2 378.819 3.710 20 10 GHCDLO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001190768233 917553405 /nfs/dbraw/zinc/55/34/05/917553405.db2.gz AMAAMZHPLQSPJB-KRWDZBQOSA-N 1 2 390.483 3.911 20 10 GHCDLO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001190768233 917553416 /nfs/dbraw/zinc/55/34/16/917553416.db2.gz AMAAMZHPLQSPJB-KRWDZBQOSA-N 1 2 390.483 3.911 20 10 GHCDLO CN(C)c1ccc(N=Nc2cccc(C(=O)NCCc3[nH+]ccn3C)c2)cc1 ZINC001190973641 917675844 /nfs/dbraw/zinc/67/58/44/917675844.db2.gz JOBYSQNJPSKRTK-UHFFFAOYSA-N 1 2 376.464 3.874 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800707792 920380942 /nfs/dbraw/zinc/38/09/42/920380942.db2.gz VFKHIBFSXLHRDE-IBGZPJMESA-N 1 2 395.551 3.683 20 10 GHCDLO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000367721110 922282144 /nfs/dbraw/zinc/28/21/44/922282144.db2.gz NIVDRMONZSBJTE-HXUWFJFHSA-N 1 2 382.508 3.901 20 10 GHCDLO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000367721110 922282155 /nfs/dbraw/zinc/28/21/55/922282155.db2.gz NIVDRMONZSBJTE-HXUWFJFHSA-N 1 2 382.508 3.901 20 10 GHCDLO CC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1O ZINC000903172688 922829196 /nfs/dbraw/zinc/82/91/96/922829196.db2.gz BGMSDSUKUZNGHB-GOSISDBHSA-N 1 2 396.940 3.678 20 10 GHCDLO COC[C@@]1(C[NH2+]Cc2cccc(Cl)c2O)CCCN1C(=O)OC(C)(C)C ZINC000388622452 926383570 /nfs/dbraw/zinc/38/35/70/926383570.db2.gz TYJHFVTVUZZQRC-IBGZPJMESA-N 1 2 384.904 3.551 20 10 GHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2Cl)C1 ZINC000374373973 927069690 /nfs/dbraw/zinc/06/96/90/927069690.db2.gz UTYDGYXRALDBFZ-RDJZCZTQSA-N 1 2 386.927 3.652 20 10 GHCDLO CCOCCO[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000750261712 927523231 /nfs/dbraw/zinc/52/32/31/927523231.db2.gz HATFNYBBIRRSCC-FQEVSTJZSA-N 1 2 388.483 3.543 20 10 GHCDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000750261712 927523236 /nfs/dbraw/zinc/52/32/36/927523236.db2.gz HATFNYBBIRRSCC-FQEVSTJZSA-N 1 2 388.483 3.543 20 10 GHCDLO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000780892271 930630024 /nfs/dbraw/zinc/63/00/24/930630024.db2.gz IVSDXELWYAQVDS-ZJUUUORDSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000780892271 930630028 /nfs/dbraw/zinc/63/00/28/930630028.db2.gz IVSDXELWYAQVDS-ZJUUUORDSA-N 1 2 393.119 3.510 20 10 GHCDLO O=C1N(CCC(F)(F)F)CCC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232541 1032520905 /nfs/dbraw/zinc/52/09/05/1032520905.db2.gz SXCHAGNDPVAOEM-UHFFFAOYSA-N 1 2 390.833 3.813 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001204235519 1032680844 /nfs/dbraw/zinc/68/08/44/1032680844.db2.gz AJPUNIBQWHCPQU-GOSISDBHSA-N 1 2 388.414 3.599 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001204235519 1032680847 /nfs/dbraw/zinc/68/08/47/1032680847.db2.gz AJPUNIBQWHCPQU-GOSISDBHSA-N 1 2 388.414 3.599 20 10 GHCDLO Cn1cc2c(n1)C[N@@H+](Cc1ccc(N3CCCC3)cc1)C[C@H]2COCC1CC1 ZINC001204327740 1032769999 /nfs/dbraw/zinc/76/99/99/1032769999.db2.gz GYTMKDSGAOAXDH-FQEVSTJZSA-N 1 2 380.536 3.546 20 10 GHCDLO Cn1cc2c(n1)C[N@H+](Cc1ccc(N3CCCC3)cc1)C[C@H]2COCC1CC1 ZINC001204327740 1032770009 /nfs/dbraw/zinc/77/00/09/1032770009.db2.gz GYTMKDSGAOAXDH-FQEVSTJZSA-N 1 2 380.536 3.546 20 10 GHCDLO COc1c(C)c[nH+]c(CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)c1C ZINC001626156518 1021292823 /nfs/dbraw/zinc/29/28/23/1021292823.db2.gz AQBJMIQTKASXDP-UHFFFAOYSA-N 1 2 391.471 3.857 20 10 GHCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3C[C@@H](F)C[C@H]3CF)cc2)CC1 ZINC001140476452 1021772284 /nfs/dbraw/zinc/77/22/84/1021772284.db2.gz OHODOCHKTQXYSF-HKUYNNGSSA-N 1 2 395.494 3.626 20 10 GHCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@H+]3C[C@@H](F)C[C@H]3CF)cc2)CC1 ZINC001140476452 1021772302 /nfs/dbraw/zinc/77/23/02/1021772302.db2.gz OHODOCHKTQXYSF-HKUYNNGSSA-N 1 2 395.494 3.626 20 10 GHCDLO COc1ccccc1[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1nccn1C ZINC000835037700 1021794066 /nfs/dbraw/zinc/79/40/66/1021794066.db2.gz VUQHVCCBIHZACV-DORXLWPQSA-N 1 2 376.504 3.887 20 10 GHCDLO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3c(O)cc(F)cc3F)C1)C2 ZINC001140584619 1022008086 /nfs/dbraw/zinc/00/80/86/1022008086.db2.gz ZIOITXKLBOSMIC-IVZQSRNASA-N 1 2 387.426 3.766 20 10 GHCDLO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](Cc3c(O)cc(F)cc3F)C1)C2 ZINC001140584619 1022008099 /nfs/dbraw/zinc/00/80/99/1022008099.db2.gz ZIOITXKLBOSMIC-IVZQSRNASA-N 1 2 387.426 3.766 20 10 GHCDLO COC1CCN(c2ccc(CN3CC[NH+](Cc4ccsc4)CC3)cc2)CC1 ZINC000827276458 1022020877 /nfs/dbraw/zinc/02/08/77/1022020877.db2.gz IRVCDSOCJSIRAQ-UHFFFAOYSA-N 1 2 385.577 3.681 20 10 GHCDLO COc1ccc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)c(Cl)c1 ZINC001140823073 1022631845 /nfs/dbraw/zinc/63/18/45/1022631845.db2.gz SASBKLCVOTZKBU-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO Cc1nc(NCc2cccc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2)cc[nH+]1 ZINC000755195784 1023119484 /nfs/dbraw/zinc/11/94/84/1023119484.db2.gz NGZIDWIYSSSMCR-UHFFFAOYSA-N 1 2 393.466 3.532 20 10 GHCDLO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cc(Br)cc(F)c1O ZINC000756483735 1023680073 /nfs/dbraw/zinc/68/00/73/1023680073.db2.gz XDEKCMKMPWTMNB-LLVKDONJSA-N 1 2 378.245 3.994 20 10 GHCDLO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000756575825 1023718581 /nfs/dbraw/zinc/71/85/81/1023718581.db2.gz QQFSLEAEGKVCNJ-IGJMFERPSA-N 1 2 395.135 3.975 20 10 GHCDLO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756774982 1023808031 /nfs/dbraw/zinc/80/80/31/1023808031.db2.gz FSSZWMDGSSELRH-POYBYMJQSA-N 1 2 376.600 3.772 20 10 GHCDLO CC1([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)OCCO1 ZINC001204937156 1033176137 /nfs/dbraw/zinc/17/61/37/1033176137.db2.gz HIJIFSPOYDLVDB-GFCCVEGCSA-N 1 2 390.705 3.783 20 10 GHCDLO CC1([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)OCCO1 ZINC001204937156 1033176146 /nfs/dbraw/zinc/17/61/46/1033176146.db2.gz HIJIFSPOYDLVDB-GFCCVEGCSA-N 1 2 390.705 3.783 20 10 GHCDLO Oc1c(F)cccc1C[N@H+]1Cc2c(cnn2CC2CC2)[C@H](COCC2CC2)C1 ZINC001138126875 1024171283 /nfs/dbraw/zinc/17/12/83/1024171283.db2.gz KVEMBKQEFINMHP-SFHVURJKSA-N 1 2 385.483 3.664 20 10 GHCDLO Oc1c(F)cccc1C[N@@H+]1Cc2c(cnn2CC2CC2)[C@H](COCC2CC2)C1 ZINC001138126875 1024171293 /nfs/dbraw/zinc/17/12/93/1024171293.db2.gz KVEMBKQEFINMHP-SFHVURJKSA-N 1 2 385.483 3.664 20 10 GHCDLO Cc1cc(N2CC[NH+](Cc3cc(Cl)cc(Br)c3[O-])CC2)cc[nH+]1 ZINC001141374796 1024767564 /nfs/dbraw/zinc/76/75/64/1024767564.db2.gz PUIHPRGKEPZAGT-UHFFFAOYSA-N 1 2 396.716 3.834 20 10 GHCDLO CCOc1ccccc1N1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139127667 1025940310 /nfs/dbraw/zinc/94/03/10/1025940310.db2.gz ZUOXRWWYVKNEHP-UHFFFAOYSA-N 1 2 394.471 3.528 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3sccc3Br)CC2)c(OC)c1 ZINC001139314258 1026174270 /nfs/dbraw/zinc/17/42/70/1026174270.db2.gz HFQHFQFQIKQDQP-UHFFFAOYSA-N 1 2 397.338 3.850 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000839921501 1026348216 /nfs/dbraw/zinc/34/82/16/1026348216.db2.gz KBWMFKKYEZVZLP-IBGZPJMESA-N 1 2 390.531 3.596 20 10 GHCDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)[C@H](C)O1 ZINC001203370395 1027296164 /nfs/dbraw/zinc/29/61/64/1027296164.db2.gz ZKEUCMDJHGALLU-LWINAJNOSA-N 1 2 379.092 3.573 20 10 GHCDLO FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000840246664 1027375268 /nfs/dbraw/zinc/37/52/68/1027375268.db2.gz WHZCNFRWZGZGPO-UHFFFAOYSA-N 1 2 393.413 3.518 20 10 GHCDLO FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000840246664 1027375285 /nfs/dbraw/zinc/37/52/85/1027375285.db2.gz WHZCNFRWZGZGPO-UHFFFAOYSA-N 1 2 393.413 3.518 20 10 GHCDLO C[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@H]1O ZINC001203562280 1027434311 /nfs/dbraw/zinc/43/43/11/1027434311.db2.gz GRDBULBIDKIJAE-TVQRCGJNSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@H]1O ZINC001203562280 1027434321 /nfs/dbraw/zinc/43/43/21/1027434321.db2.gz GRDBULBIDKIJAE-TVQRCGJNSA-N 1 2 393.119 3.510 20 10 GHCDLO CC(C)OCc1ncn2c1C[N@H+](Cc1cc(Br)ccc1O)CCC2 ZINC001203642062 1027500095 /nfs/dbraw/zinc/50/00/95/1027500095.db2.gz CPPHJVSBIPNQGT-UHFFFAOYSA-N 1 2 394.313 3.682 20 10 GHCDLO CC(C)OCc1ncn2c1C[N@@H+](Cc1cc(Br)ccc1O)CCC2 ZINC001203642062 1027500108 /nfs/dbraw/zinc/50/01/08/1027500108.db2.gz CPPHJVSBIPNQGT-UHFFFAOYSA-N 1 2 394.313 3.682 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(Br)c3)CC2)c(OC)c1 ZINC001203767199 1027590009 /nfs/dbraw/zinc/59/00/09/1027590009.db2.gz CCJSFPILQAVADV-UHFFFAOYSA-N 1 2 391.309 3.789 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(Br)cc(F)c1O ZINC000840879348 1027916442 /nfs/dbraw/zinc/91/64/42/1027916442.db2.gz FFVCFWSLYNRBJS-PWSUYJOCSA-N 1 2 386.236 3.860 20 10 GHCDLO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)cc(F)c1O ZINC000841763041 1028921007 /nfs/dbraw/zinc/92/10/07/1028921007.db2.gz UIYHSOKGXVXWHD-LLVKDONJSA-N 1 2 390.293 3.512 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Br)cc(Br)c1O ZINC000842927227 1029693288 /nfs/dbraw/zinc/69/32/88/1029693288.db2.gz DFFFXBWIELZHQF-NQMVMOMDSA-N 1 2 379.092 3.745 20 10 GHCDLO CC(C)(C)c1cccc(C[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)c1O ZINC001143107717 1029844556 /nfs/dbraw/zinc/84/45/56/1029844556.db2.gz BHNCXWAXMYICQS-UHFFFAOYSA-N 1 2 379.508 3.537 20 10 GHCDLO CC(C)(C)c1cccc(C[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)c1O ZINC001143107717 1029844559 /nfs/dbraw/zinc/84/45/59/1029844559.db2.gz BHNCXWAXMYICQS-UHFFFAOYSA-N 1 2 379.508 3.537 20 10 GHCDLO O=C(NC1CCCC1)[C@H]1CC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277506923 1034523763 /nfs/dbraw/zinc/52/37/63/1034523763.db2.gz MVOTUGAQDMMNDJ-MRXNPFEDSA-N 1 2 380.891 3.846 20 10 GHCDLO Cc1cc(C)c(C[N@@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)c(O)c1 ZINC001231843823 1034937657 /nfs/dbraw/zinc/93/76/57/1034937657.db2.gz BOEYBXZTPWENMJ-KRWDZBQOSA-N 1 2 378.476 3.756 20 10 GHCDLO Cc1cc(C)c(C[N@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)c(O)c1 ZINC001231843823 1034937663 /nfs/dbraw/zinc/93/76/63/1034937663.db2.gz BOEYBXZTPWENMJ-KRWDZBQOSA-N 1 2 378.476 3.756 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)cc1Cl ZINC001231868196 1034954837 /nfs/dbraw/zinc/95/48/37/1034954837.db2.gz SAMCAUUQFLDVML-INIZCTEOSA-N 1 2 375.900 3.609 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)cc1Cl ZINC001231868196 1034954840 /nfs/dbraw/zinc/95/48/40/1034954840.db2.gz SAMCAUUQFLDVML-INIZCTEOSA-N 1 2 375.900 3.609 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001231913502 1034988125 /nfs/dbraw/zinc/98/81/25/1034988125.db2.gz KULOETKEYPBSIH-GFCCVEGCSA-N 1 2 387.789 3.898 20 10 GHCDLO COCC[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231914406 1034988153 /nfs/dbraw/zinc/98/81/53/1034988153.db2.gz LDCBKXVGDMQLNM-MRXNPFEDSA-N 1 2 398.931 3.894 20 10 GHCDLO COCC[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231914406 1034988154 /nfs/dbraw/zinc/98/81/54/1034988154.db2.gz LDCBKXVGDMQLNM-MRXNPFEDSA-N 1 2 398.931 3.894 20 10 GHCDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(Br)cc1O ZINC001462237687 1070108555 /nfs/dbraw/zinc/10/85/55/1070108555.db2.gz ZBPMDHIAXNIBFF-UHFFFAOYSA-N 1 2 380.267 3.898 20 10 GHCDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(Br)cc1O ZINC001462237687 1070108561 /nfs/dbraw/zinc/10/85/61/1070108561.db2.gz ZBPMDHIAXNIBFF-UHFFFAOYSA-N 1 2 380.267 3.898 20 10 GHCDLO COc1cc(C[N@@H+](C)Cc2c(O)cc(Br)cc2F)cc(OC)c1 ZINC001233031112 1038784461 /nfs/dbraw/zinc/78/44/61/1038784461.db2.gz VZVAFMXMURBTBM-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)cc1Br ZINC001233141208 1038920630 /nfs/dbraw/zinc/92/06/30/1038920630.db2.gz FERLEMXNOPSIOL-GFCCVEGCSA-N 1 2 382.298 3.887 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)cc1Br ZINC001233141208 1038920632 /nfs/dbraw/zinc/92/06/32/1038920632.db2.gz FERLEMXNOPSIOL-GFCCVEGCSA-N 1 2 382.298 3.887 20 10 GHCDLO Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2c(O)ccc(F)c2F)CCO3)c1 ZINC001233333081 1039130985 /nfs/dbraw/zinc/13/09/85/1039130985.db2.gz JATZFFOKLNVDFV-QFIPXVFZSA-N 1 2 388.458 3.850 20 10 GHCDLO Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2c(O)ccc(F)c2F)CCO3)c1 ZINC001233333081 1039131000 /nfs/dbraw/zinc/13/10/00/1039131000.db2.gz JATZFFOKLNVDFV-QFIPXVFZSA-N 1 2 388.458 3.850 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001233333432 1039135896 /nfs/dbraw/zinc/13/58/96/1039135896.db2.gz VQCCCADEJSNLTD-YMRXKLBXSA-N 1 2 378.444 3.966 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001233333432 1039135922 /nfs/dbraw/zinc/13/59/22/1039135922.db2.gz VQCCCADEJSNLTD-YMRXKLBXSA-N 1 2 378.444 3.966 20 10 GHCDLO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)C[C@H]12 ZINC001235058492 1040547762 /nfs/dbraw/zinc/54/77/62/1040547762.db2.gz NBEQUKYZWDQRDL-GJZGRUSLSA-N 1 2 376.225 3.706 20 10 GHCDLO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)C[C@H]12 ZINC001235058492 1040547779 /nfs/dbraw/zinc/54/77/79/1040547779.db2.gz NBEQUKYZWDQRDL-GJZGRUSLSA-N 1 2 376.225 3.706 20 10 GHCDLO Cc1cccc(O[C@H]2CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC001235075750 1040562747 /nfs/dbraw/zinc/56/27/47/1040562747.db2.gz OYALMXSCRBEXMH-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC001235075750 1040562762 /nfs/dbraw/zinc/56/27/62/1040562762.db2.gz OYALMXSCRBEXMH-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001235075923 1040565099 /nfs/dbraw/zinc/56/50/99/1040565099.db2.gz RMXOAXYSICWRMG-UHFFFAOYSA-N 1 2 399.235 3.871 20 10 GHCDLO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235305909 1040777242 /nfs/dbraw/zinc/77/72/42/1040777242.db2.gz APRLLZASSUSGBT-CYBMUJFWSA-N 1 2 378.241 3.999 20 10 GHCDLO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235305909 1040777256 /nfs/dbraw/zinc/77/72/56/1040777256.db2.gz APRLLZASSUSGBT-CYBMUJFWSA-N 1 2 378.241 3.999 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2cc(C)c(OCCO)c(C)c2)C1 ZINC001235358501 1040839949 /nfs/dbraw/zinc/83/99/49/1040839949.db2.gz VEXJYQGMTNJLBX-UHFFFAOYSA-N 1 2 394.515 3.733 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2cc(C)c(OCCO)c(C)c2)C1 ZINC001235358501 1040839971 /nfs/dbraw/zinc/83/99/71/1040839971.db2.gz VEXJYQGMTNJLBX-UHFFFAOYSA-N 1 2 394.515 3.733 20 10 GHCDLO CCc1ccc(C[N@H+]2CCN[C@@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235802340 1041310523 /nfs/dbraw/zinc/31/05/23/1041310523.db2.gz ZKTZMWAMVYXAIJ-GOSISDBHSA-N 1 2 375.310 3.864 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC001236666351 1041812925 /nfs/dbraw/zinc/81/29/25/1041812925.db2.gz OQYFCHHZPUIXKR-GOSISDBHSA-N 1 2 375.310 3.952 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC001236666351 1041812934 /nfs/dbraw/zinc/81/29/34/1041812934.db2.gz OQYFCHHZPUIXKR-GOSISDBHSA-N 1 2 375.310 3.952 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC001236666351 1041812941 /nfs/dbraw/zinc/81/29/41/1041812941.db2.gz OQYFCHHZPUIXKR-GOSISDBHSA-N 1 2 375.310 3.952 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC001236666351 1041812952 /nfs/dbraw/zinc/81/29/52/1041812952.db2.gz OQYFCHHZPUIXKR-GOSISDBHSA-N 1 2 375.310 3.952 20 10 GHCDLO CCOCc1ncn2c1C[N@H+](Cc1cc(C)cc(Br)c1O)CCC2 ZINC001236665810 1041813276 /nfs/dbraw/zinc/81/32/76/1041813276.db2.gz KGTZJCCCPJDJAS-UHFFFAOYSA-N 1 2 394.313 3.602 20 10 GHCDLO CCOCc1ncn2c1C[N@@H+](Cc1cc(C)cc(Br)c1O)CCC2 ZINC001236665810 1041813286 /nfs/dbraw/zinc/81/32/86/1041813286.db2.gz KGTZJCCCPJDJAS-UHFFFAOYSA-N 1 2 394.313 3.602 20 10 GHCDLO Oc1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(O)cc1Br ZINC001236771548 1041882118 /nfs/dbraw/zinc/88/21/18/1041882118.db2.gz DQJVZIQDLZBMNM-UHFFFAOYSA-N 1 2 397.700 3.836 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794898 1041899655 /nfs/dbraw/zinc/89/96/55/1041899655.db2.gz FNOPEGYRVGOPAB-HOTGVXAUSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794898 1041899662 /nfs/dbraw/zinc/89/96/62/1041899662.db2.gz FNOPEGYRVGOPAB-HOTGVXAUSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1ccc(C[NH+]2CCN(c3nsc4ccccc43)CC2)c(O)c1Cl ZINC001236802952 1041905235 /nfs/dbraw/zinc/90/52/35/1041905235.db2.gz XBWWXKRKKAQQSH-UHFFFAOYSA-N 1 2 389.908 3.986 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1c(O)cc(OC)cc1Cl)C2 ZINC001236804754 1041906490 /nfs/dbraw/zinc/90/64/90/1041906490.db2.gz XUIVSTAFKVRKSK-UHFFFAOYSA-N 1 2 381.881 3.851 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1c(O)cc(OC)cc1Cl)C2 ZINC001236804754 1041906491 /nfs/dbraw/zinc/90/64/91/1041906491.db2.gz XUIVSTAFKVRKSK-UHFFFAOYSA-N 1 2 381.881 3.851 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001237077875 1042024271 /nfs/dbraw/zinc/02/42/71/1042024271.db2.gz LLKMMFCSONUFRA-AAEUAGOBSA-N 1 2 376.177 3.926 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001237077875 1042024275 /nfs/dbraw/zinc/02/42/75/1042024275.db2.gz LLKMMFCSONUFRA-AAEUAGOBSA-N 1 2 376.177 3.926 20 10 GHCDLO COc1cc2c(cc1OC)C[N@H+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237122651 1042049816 /nfs/dbraw/zinc/04/98/16/1042049816.db2.gz JLQOPQVCYGKGFL-UHFFFAOYSA-N 1 2 383.366 3.866 20 10 GHCDLO COc1cc2c(cc1OC)C[N@@H+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237122651 1042049819 /nfs/dbraw/zinc/04/98/19/1042049819.db2.gz JLQOPQVCYGKGFL-UHFFFAOYSA-N 1 2 383.366 3.866 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1F ZINC001237125511 1042053086 /nfs/dbraw/zinc/05/30/86/1042053086.db2.gz DDAPEIXTZVTIDR-DGCLKSJQSA-N 1 2 376.831 3.622 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1F ZINC001237125511 1042053091 /nfs/dbraw/zinc/05/30/91/1042053091.db2.gz DDAPEIXTZVTIDR-DGCLKSJQSA-N 1 2 376.831 3.622 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237135199 1042057644 /nfs/dbraw/zinc/05/76/44/1042057644.db2.gz GSAXKYXDNPZLCD-CABCVRRESA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237135199 1042057649 /nfs/dbraw/zinc/05/76/49/1042057649.db2.gz GSAXKYXDNPZLCD-CABCVRRESA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2C1 ZINC001237621623 1042288732 /nfs/dbraw/zinc/28/87/32/1042288732.db2.gz DEKKYUSVTAPYCK-OCCSQVGLSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2C1 ZINC001237621623 1042288739 /nfs/dbraw/zinc/28/87/39/1042288739.db2.gz DEKKYUSVTAPYCK-OCCSQVGLSA-N 1 2 384.879 3.874 20 10 GHCDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237648404 1042302158 /nfs/dbraw/zinc/30/21/58/1042302158.db2.gz BFTLVKNIPHAAKL-SFHVURJKSA-N 1 2 375.465 3.679 20 10 GHCDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237648404 1042302164 /nfs/dbraw/zinc/30/21/64/1042302164.db2.gz BFTLVKNIPHAAKL-SFHVURJKSA-N 1 2 375.465 3.679 20 10 GHCDLO COc1cc(-c2ccc[nH]2)[nH]c1C[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001237878080 1042406187 /nfs/dbraw/zinc/40/61/87/1042406187.db2.gz JJXTYPQZSRKMAZ-UHFFFAOYSA-N 1 2 380.492 3.658 20 10 GHCDLO CS(=O)(=O)c1cccc(C2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)c1 ZINC001237940882 1042431113 /nfs/dbraw/zinc/43/11/13/1042431113.db2.gz OSDTVHLOBLQHQU-UHFFFAOYSA-N 1 2 397.899 3.968 20 10 GHCDLO O=S(=O)(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238501885 1042621509 /nfs/dbraw/zinc/62/15/09/1042621509.db2.gz XMRFVYPXFMMXFO-OLMMQFJWSA-N 1 2 394.447 3.625 20 10 GHCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1c(O)cccc1Cl ZINC001294858677 1044819108 /nfs/dbraw/zinc/81/91/08/1044819108.db2.gz DTKVRGYNFBECKK-AWEZNQCLSA-N 1 2 395.286 3.799 20 10 GHCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1c(O)cccc1Cl ZINC001294858677 1044819131 /nfs/dbraw/zinc/81/91/31/1044819131.db2.gz DTKVRGYNFBECKK-AWEZNQCLSA-N 1 2 395.286 3.799 20 10 GHCDLO COc1cccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2O)c1 ZINC001308271242 1049932748 /nfs/dbraw/zinc/93/27/48/1049932748.db2.gz KTHBZFXJABKQDC-OAHLLOKOSA-N 1 2 386.673 3.640 20 10 GHCDLO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cc(Br)c(F)cc1O ZINC001320420506 1055796449 /nfs/dbraw/zinc/79/64/49/1055796449.db2.gz PIZXLPPZXQDWAN-NEPJUHHUSA-N 1 2 387.293 3.593 20 10 GHCDLO C[C@H](O)CC(C)(C)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001200715379 1056798669 /nfs/dbraw/zinc/79/86/69/1056798669.db2.gz YVNPSEFGTCUVTO-VIFPVBQESA-N 1 2 395.135 3.804 20 10 GHCDLO COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc(C)[nH+]c2N(C)C)CCCC1 ZINC001435642665 1062805295 /nfs/dbraw/zinc/80/52/95/1062805295.db2.gz HQKHTPWCOHQMNP-UHFFFAOYSA-N 1 2 392.503 3.937 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C)[nH+]c3N(C)C)ccc21 ZINC001435643356 1062806874 /nfs/dbraw/zinc/80/68/74/1062806874.db2.gz IYQOAYLVRHBAOZ-UHFFFAOYSA-N 1 2 380.492 3.926 20 10 GHCDLO C[N@@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)CC1CCCC1 ZINC001459363864 1064076221 /nfs/dbraw/zinc/07/62/21/1064076221.db2.gz IQCKEMQDNOUJSA-UHFFFAOYSA-N 1 2 376.456 3.523 20 10 GHCDLO C[N@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)CC1CCCC1 ZINC001459363864 1064076234 /nfs/dbraw/zinc/07/62/34/1064076234.db2.gz IQCKEMQDNOUJSA-UHFFFAOYSA-N 1 2 376.456 3.523 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000847480564 1065403684 /nfs/dbraw/zinc/40/36/84/1065403684.db2.gz OOLINBDPXABWKU-QGZVFWFLSA-N 1 2 392.503 3.896 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000847480564 1065403692 /nfs/dbraw/zinc/40/36/92/1065403692.db2.gz OOLINBDPXABWKU-QGZVFWFLSA-N 1 2 392.503 3.896 20 10 GHCDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)(C)C1 ZINC001473757217 1074126067 /nfs/dbraw/zinc/12/60/67/1074126067.db2.gz YUMAJEWIADDXMP-CQSZACIVSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)(C)C1 ZINC001473757217 1074126070 /nfs/dbraw/zinc/12/60/70/1074126070.db2.gz YUMAJEWIADDXMP-CQSZACIVSA-N 1 2 376.456 3.521 20 10 GHCDLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(C)C ZINC001474602745 1074479697 /nfs/dbraw/zinc/47/96/97/1074479697.db2.gz BSOFCDYKUPZHCD-CQSZACIVSA-N 1 2 376.266 3.750 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000738401993 598618989 /nfs/dbraw/zinc/61/89/89/598618989.db2.gz ZVPILZUBJCESGF-UHFFFAOYSA-N 1 2 379.395 3.507 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000738401993 598618991 /nfs/dbraw/zinc/61/89/91/598618991.db2.gz ZVPILZUBJCESGF-UHFFFAOYSA-N 1 2 379.395 3.507 20 10 GHCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1ncn(CC(F)(F)F)c1=S ZINC000748064048 834652910 /nfs/dbraw/zinc/65/29/10/834652910.db2.gz VAROXPJPGRPOIG-UHFFFAOYSA-N 1 2 387.475 3.910 20 10 GHCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1ncn(CC(F)(F)F)c1=S ZINC000748064048 834652914 /nfs/dbraw/zinc/65/29/14/834652914.db2.gz VAROXPJPGRPOIG-UHFFFAOYSA-N 1 2 387.475 3.910 20 10 GHCDLO C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000177125835 836000991 /nfs/dbraw/zinc/00/09/91/836000991.db2.gz WQIZQRXHEKXFDT-AWEZNQCLSA-N 1 2 390.578 3.665 20 10 GHCDLO Cc1c2ccccc2n(C)c1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000473272672 844126882 /nfs/dbraw/zinc/12/68/82/844126882.db2.gz VTWXGGMQRICMEW-UHFFFAOYSA-N 1 2 392.528 3.992 20 10 GHCDLO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756786888 842428913 /nfs/dbraw/zinc/42/89/13/842428913.db2.gz MCYWIQNULSDRGL-SNVBAGLBSA-N 1 2 384.293 3.928 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(N3CCCC3=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000729483741 853779078 /nfs/dbraw/zinc/77/90/78/853779078.db2.gz XTRPWKGZDRHXDF-UHFFFAOYSA-N 1 2 393.531 3.672 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c(C)n1-c1ccccc1 ZINC000732813025 862514578 /nfs/dbraw/zinc/51/45/78/862514578.db2.gz RVKKPOWCOIBOEK-NRFANRHFSA-N 1 2 393.531 3.754 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c(C)n1-c1ccccc1 ZINC000732813025 862514593 /nfs/dbraw/zinc/51/45/93/862514593.db2.gz RVKKPOWCOIBOEK-NRFANRHFSA-N 1 2 393.531 3.754 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1F ZINC000764507699 859475094 /nfs/dbraw/zinc/47/50/94/859475094.db2.gz QXKIBVYJXQEQPN-UHFFFAOYSA-N 1 2 394.494 3.776 20 10 GHCDLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764810520 859625632 /nfs/dbraw/zinc/62/56/32/859625632.db2.gz RTZPDNBXSDEGFR-VGSWGCGISA-N 1 2 394.494 3.836 20 10 GHCDLO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(N2CCOCC2)cc1Cl ZINC000765345820 859922840 /nfs/dbraw/zinc/92/28/40/859922840.db2.gz ANKUWAFLNQMRDJ-ZDUSSCGKSA-N 1 2 376.913 3.737 20 10 GHCDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(N2CCSCC2)cc1 ZINC000301840965 865559831 /nfs/dbraw/zinc/55/98/31/865559831.db2.gz PETQMNXIPQRFEA-UHFFFAOYSA-N 1 2 382.537 3.747 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000185360569 866015825 /nfs/dbraw/zinc/01/58/25/866015825.db2.gz HKUREXHISGACRQ-LSDHHAIUSA-N 1 2 375.463 3.834 20 10 GHCDLO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000185360590 866016413 /nfs/dbraw/zinc/01/64/13/866016413.db2.gz HKUREXHISGACRQ-HUUCEWRRSA-N 1 2 375.463 3.834 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1F ZINC000303310181 866153866 /nfs/dbraw/zinc/15/38/66/866153866.db2.gz FNEOJKXHNANYJF-UHFFFAOYSA-N 1 2 395.482 3.857 20 10 GHCDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000743716839 868380641 /nfs/dbraw/zinc/38/06/41/868380641.db2.gz MRVIBHFCZUSGEM-JOCHJYFZSA-N 1 2 396.556 3.677 20 10 GHCDLO CCO[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775633887 872151316 /nfs/dbraw/zinc/15/13/16/872151316.db2.gz MSAXSCKSWIMQJP-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO CCO[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775633887 872151323 /nfs/dbraw/zinc/15/13/23/872151323.db2.gz MSAXSCKSWIMQJP-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO OC[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775690709 872940183 /nfs/dbraw/zinc/94/01/83/872940183.db2.gz XBLQWIANPJAZIX-GOSISDBHSA-N 1 2 381.303 3.550 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)c2C)cc1 ZINC000768160371 873121181 /nfs/dbraw/zinc/12/11/81/873121181.db2.gz ZXHCBQQBNYPVFT-SFHVURJKSA-N 1 2 392.503 3.856 20 10 GHCDLO O=C(c1ccccc1OC(F)F)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768240036 873165577 /nfs/dbraw/zinc/16/55/77/873165577.db2.gz ZHPHYNPPBUHFQH-UHFFFAOYSA-N 1 2 396.821 3.605 20 10 GHCDLO COc1cccc(O)c1CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000768219307 873172633 /nfs/dbraw/zinc/17/26/33/873172633.db2.gz VMNIXVWPCLTBND-UHFFFAOYSA-N 1 2 380.410 3.737 20 10 GHCDLO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC000775732766 873278762 /nfs/dbraw/zinc/27/87/62/873278762.db2.gz QCDXCCHXZVAMRL-UHFFFAOYSA-N 1 2 377.868 3.672 20 10 GHCDLO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC000775732766 873278768 /nfs/dbraw/zinc/27/87/68/873278768.db2.gz QCDXCCHXZVAMRL-UHFFFAOYSA-N 1 2 377.868 3.672 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000769513339 874120848 /nfs/dbraw/zinc/12/08/48/874120848.db2.gz BHARLLVKDCDKNH-QRWLVFNGSA-N 1 2 376.497 3.686 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000769513339 874120853 /nfs/dbraw/zinc/12/08/53/874120853.db2.gz BHARLLVKDCDKNH-QRWLVFNGSA-N 1 2 376.497 3.686 20 10 GHCDLO Oc1cccc(Br)c1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000858102319 882848315 /nfs/dbraw/zinc/84/83/15/882848315.db2.gz CROZDOAMOPBWKR-UHFFFAOYSA-N 1 2 377.282 3.728 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccccc1Cn1cccn1 ZINC001199069131 874792136 /nfs/dbraw/zinc/79/21/36/874792136.db2.gz PXQJUKQCYGRDRV-UHFFFAOYSA-N 1 2 390.256 3.828 20 10 GHCDLO Brc1cnc(C[NH2+]Cc2ccc3c(c2)CCO3)c(Br)c1 ZINC000775953407 874934312 /nfs/dbraw/zinc/93/43/12/874934312.db2.gz KXCREKCNYPBEBR-UHFFFAOYSA-N 1 2 398.098 3.831 20 10 GHCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(O)c(Cl)c1 ZINC000771058889 875015793 /nfs/dbraw/zinc/01/57/93/875015793.db2.gz ONLPPVVAXMVGPQ-HNNXBMFYSA-N 1 2 395.286 3.799 20 10 GHCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(O)c(Cl)c1 ZINC000771058889 875015805 /nfs/dbraw/zinc/01/58/05/875015805.db2.gz ONLPPVVAXMVGPQ-HNNXBMFYSA-N 1 2 395.286 3.799 20 10 GHCDLO Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000771062469 875017059 /nfs/dbraw/zinc/01/70/59/875017059.db2.gz DFBBXTGDDZDRJB-UHFFFAOYSA-N 1 2 396.516 3.948 20 10 GHCDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000771639393 875375341 /nfs/dbraw/zinc/37/53/41/875375341.db2.gz XYKYSCQBZHADMJ-GOSISDBHSA-N 1 2 395.503 3.941 20 10 GHCDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000771639393 875375349 /nfs/dbraw/zinc/37/53/49/875375349.db2.gz XYKYSCQBZHADMJ-GOSISDBHSA-N 1 2 395.503 3.941 20 10 GHCDLO CSc1nnc(CCC[NH2+]Cc2cc(Cl)cc(F)c2O)n1CC(C)C ZINC000776174096 875691534 /nfs/dbraw/zinc/69/15/34/875691534.db2.gz HVCUVIDVROFQHU-UHFFFAOYSA-N 1 2 386.924 3.877 20 10 GHCDLO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(Br)c3O)C2)cc1 ZINC000850346693 876837513 /nfs/dbraw/zinc/83/75/13/876837513.db2.gz WYQJTPOJUIBBAY-AWEZNQCLSA-N 1 2 377.282 3.532 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1ccncc1Br)C[C@H]1CCCO1 ZINC000859190478 883647323 /nfs/dbraw/zinc/64/73/23/883647323.db2.gz LPMVGRPGCWLYDL-MRXNPFEDSA-N 1 2 377.282 3.731 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1ccncc1Br)C[C@H]1CCCO1 ZINC000859190478 883647327 /nfs/dbraw/zinc/64/73/27/883647327.db2.gz LPMVGRPGCWLYDL-MRXNPFEDSA-N 1 2 377.282 3.731 20 10 GHCDLO CCCN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000859191275 883649018 /nfs/dbraw/zinc/64/90/18/883649018.db2.gz YGZIQZQENVABKW-UHFFFAOYSA-N 1 2 384.398 3.788 20 10 GHCDLO CCCN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000859191275 883649024 /nfs/dbraw/zinc/64/90/24/883649024.db2.gz YGZIQZQENVABKW-UHFFFAOYSA-N 1 2 384.398 3.788 20 10 GHCDLO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc(Cl)c1O ZINC000806146869 884406485 /nfs/dbraw/zinc/40/64/85/884406485.db2.gz RKOMDKKJKPJBCP-RTBURBONSA-N 1 2 388.895 3.896 20 10 GHCDLO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCOC)cc1)c1cccc(Cl)c1O ZINC000806160936 884415943 /nfs/dbraw/zinc/41/59/43/884415943.db2.gz GIKGBELTMUIVIB-SFHVURJKSA-N 1 2 397.924 3.707 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000153409631 885194174 /nfs/dbraw/zinc/19/41/74/885194174.db2.gz PCIUMVKHNMVTRV-OXQOHEQNSA-N 1 2 387.503 3.661 20 10 GHCDLO CC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000762648105 886615795 /nfs/dbraw/zinc/61/57/95/886615795.db2.gz GYRAIGCHOWSUOQ-PBHICJAKSA-N 1 2 385.346 3.696 20 10 GHCDLO O=C1c2ccccc2C(=O)c2cc(Nc3ccc[nH+]c3N3CCCC3)c(O)cc21 ZINC001184968561 913553058 /nfs/dbraw/zinc/55/30/58/913553058.db2.gz PXUDGOPHDGKOGY-UHFFFAOYSA-N 1 2 385.423 3.906 20 10 GHCDLO OC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000816665597 895009834 /nfs/dbraw/zinc/00/98/34/895009834.db2.gz NJFDUWXCKJXMQN-SNVBAGLBSA-N 1 2 393.119 3.512 20 10 GHCDLO OC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000816665597 895009852 /nfs/dbraw/zinc/00/98/52/895009852.db2.gz NJFDUWXCKJXMQN-SNVBAGLBSA-N 1 2 393.119 3.512 20 10 GHCDLO COc1ccc(N2CC[C@H](CNc3[nH+]cnc4c3cnn4C(C)(C)C)C2)cc1 ZINC000819936310 897070831 /nfs/dbraw/zinc/07/08/31/897070831.db2.gz RIJZNWOBCXYCBX-OAHLLOKOSA-N 1 2 380.496 3.528 20 10 GHCDLO Oc1c(F)cc(Br)cc1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000882908366 897093442 /nfs/dbraw/zinc/09/34/42/897093442.db2.gz OCGNBUARCQOUKU-UHFFFAOYSA-N 1 2 395.272 3.867 20 10 GHCDLO Cc1ccc(O)c(C[N@@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)c1 ZINC000883278599 897434470 /nfs/dbraw/zinc/43/44/70/897434470.db2.gz VNRWKTUWDFOAIH-UHFFFAOYSA-N 1 2 389.521 3.740 20 10 GHCDLO Cc1ccc(O)c(C[N@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)c1 ZINC000883278599 897434481 /nfs/dbraw/zinc/43/44/81/897434481.db2.gz VNRWKTUWDFOAIH-UHFFFAOYSA-N 1 2 389.521 3.740 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001144298536 901646574 /nfs/dbraw/zinc/64/65/74/901646574.db2.gz FURCKQUHWJVEHR-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001144298536 901646581 /nfs/dbraw/zinc/64/65/81/901646581.db2.gz FURCKQUHWJVEHR-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001144299537 901648312 /nfs/dbraw/zinc/64/83/12/901648312.db2.gz ABAUXXXTYPUHIP-AWEZNQCLSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001144299537 901648464 /nfs/dbraw/zinc/64/84/64/901648464.db2.gz ABAUXXXTYPUHIP-AWEZNQCLSA-N 1 2 381.245 3.732 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc(Br)c(F)cc2O)[C@H](c2ccccc2)C1 ZINC001144299529 901648886 /nfs/dbraw/zinc/64/88/86/901648886.db2.gz ZXMZKSXCLFVBQW-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(Br)c(F)cc2O)[C@H](c2ccccc2)C1 ZINC001144299529 901648894 /nfs/dbraw/zinc/64/88/94/901648894.db2.gz ZXMZKSXCLFVBQW-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO Cc1cccnc1N1CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144300058 901652300 /nfs/dbraw/zinc/65/23/00/901652300.db2.gz QOVCADBVMUQEHH-UHFFFAOYSA-N 1 2 394.288 3.710 20 10 GHCDLO Cc1cccnc1N1CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144300058 901652304 /nfs/dbraw/zinc/65/23/04/901652304.db2.gz QOVCADBVMUQEHH-UHFFFAOYSA-N 1 2 394.288 3.710 20 10 GHCDLO Cc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123500751 901935641 /nfs/dbraw/zinc/93/56/41/901935641.db2.gz WYTUIJJBHWVFHS-UHFFFAOYSA-N 1 2 398.463 3.645 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)cc(F)c1O ZINC000846216912 902793172 /nfs/dbraw/zinc/79/31/72/902793172.db2.gz XPLKFMAWCNJBEK-MEBBXXQBSA-N 1 2 395.272 3.721 20 10 GHCDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(C)cc2O)n1 ZINC000189923303 905386714 /nfs/dbraw/zinc/38/67/14/905386714.db2.gz CQZGQAPJBCSHEU-OAHLLOKOSA-N 1 2 376.478 3.680 20 10 GHCDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2cc(OC)c(C)cc2O)n1 ZINC000189923303 905386730 /nfs/dbraw/zinc/38/67/30/905386730.db2.gz CQZGQAPJBCSHEU-OAHLLOKOSA-N 1 2 376.478 3.680 20 10 GHCDLO CC(C)c1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000192840096 907954637 /nfs/dbraw/zinc/95/46/37/907954637.db2.gz RPPOOQYXOHTNMZ-NBVRZTHBSA-N 1 2 390.574 3.734 20 10 GHCDLO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176969753 908337269 /nfs/dbraw/zinc/33/72/69/908337269.db2.gz FNZRPRHYHPMAPV-CQSZACIVSA-N 1 2 396.878 3.522 20 10 GHCDLO C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192747246 908820642 /nfs/dbraw/zinc/82/06/42/908820642.db2.gz FHXUUWFOCJJEFC-CYBMUJFWSA-N 1 2 395.334 3.697 20 10 GHCDLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001180034955 909905861 /nfs/dbraw/zinc/90/58/61/909905861.db2.gz NWRQOWQEYGMJBU-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001180034955 909905867 /nfs/dbraw/zinc/90/58/67/909905867.db2.gz NWRQOWQEYGMJBU-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)c1ccccc1 ZINC001180332235 910102813 /nfs/dbraw/zinc/10/28/13/910102813.db2.gz PDSFUQVNRAGLFB-IBGZPJMESA-N 1 2 396.531 3.774 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)c1ccccc1 ZINC001180332235 910102826 /nfs/dbraw/zinc/10/28/26/910102826.db2.gz PDSFUQVNRAGLFB-IBGZPJMESA-N 1 2 396.531 3.774 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000775153954 915608522 /nfs/dbraw/zinc/60/85/22/915608522.db2.gz YAPLBSCSZUFNBQ-UHFFFAOYSA-N 1 2 376.279 3.963 20 10 GHCDLO COc1cccc([C@H](C)[NH+]2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)c1 ZINC000750825009 927877789 /nfs/dbraw/zinc/87/77/89/927877789.db2.gz BNMOIWMVSCNQIO-HNNXBMFYSA-N 1 2 386.467 3.621 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1O ZINC000750837329 927885009 /nfs/dbraw/zinc/88/50/09/927885009.db2.gz JVHGXNRSFAIDJE-IBGZPJMESA-N 1 2 384.451 3.518 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1O ZINC000750837329 927885032 /nfs/dbraw/zinc/88/50/32/927885032.db2.gz JVHGXNRSFAIDJE-IBGZPJMESA-N 1 2 384.451 3.518 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C(F)(F)c1ccccc1 ZINC000926872563 932332555 /nfs/dbraw/zinc/33/25/55/932332555.db2.gz HCFVLEFJVNQFRE-MRXNPFEDSA-N 1 2 387.474 3.658 20 10 GHCDLO O=C(/C=C\c1ccc(O)c(O)c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797780552 932404831 /nfs/dbraw/zinc/40/48/31/932404831.db2.gz QDFGIUDDTQVUDQ-ALCCZGGFSA-N 1 2 397.862 3.690 20 10 GHCDLO CC[N@H+](Cc1ncnn1-c1ccccc1)Cc1cc(Br)ccc1O ZINC000799125992 932884293 /nfs/dbraw/zinc/88/42/93/932884293.db2.gz XARKKYZIILCNAC-UHFFFAOYSA-N 1 2 387.281 3.758 20 10 GHCDLO CC[N@@H+](Cc1ncnn1-c1ccccc1)Cc1cc(Br)ccc1O ZINC000799125992 932884301 /nfs/dbraw/zinc/88/43/01/932884301.db2.gz XARKKYZIILCNAC-UHFFFAOYSA-N 1 2 387.281 3.758 20 10 GHCDLO CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)[C@H](C)C1 ZINC000799738028 933105912 /nfs/dbraw/zinc/10/59/12/933105912.db2.gz RADDCKLJYHTKBL-BXKDBHETSA-N 1 2 393.119 3.917 20 10 GHCDLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)[C@H](C)C1 ZINC000799738028 933105915 /nfs/dbraw/zinc/10/59/15/933105915.db2.gz RADDCKLJYHTKBL-BXKDBHETSA-N 1 2 393.119 3.917 20 10 GHCDLO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000931581805 934628259 /nfs/dbraw/zinc/62/82/59/934628259.db2.gz RMKHAPBEZGWBFV-UHFFFAOYSA-N 1 2 386.402 3.563 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001203567683 1027439510 /nfs/dbraw/zinc/43/95/10/1027439510.db2.gz YOCVRXWWOIFDDC-VIRWGQHYSA-N 1 2 379.067 3.850 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001203567683 1027439527 /nfs/dbraw/zinc/43/95/27/1027439527.db2.gz YOCVRXWWOIFDDC-VIRWGQHYSA-N 1 2 379.067 3.850 20 10 GHCDLO C[C@@H]([NH2+]Cc1ncc(Br)cn1)c1cccc(C(F)(F)F)c1O ZINC000903320347 1021591579 /nfs/dbraw/zinc/59/15/79/1021591579.db2.gz GDGANFLILYRCPL-MRVPVSSYSA-N 1 2 376.176 3.814 20 10 GHCDLO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)Cc2ccc(Cl)cc2O)cn1 ZINC001140466274 1021760730 /nfs/dbraw/zinc/76/07/30/1021760730.db2.gz DSKQVVAMVPGOBC-UHFFFAOYSA-N 1 2 387.915 3.815 20 10 GHCDLO CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)Cc2ccc(Cl)cc2O)cn1 ZINC001140466274 1021760747 /nfs/dbraw/zinc/76/07/47/1021760747.db2.gz DSKQVVAMVPGOBC-UHFFFAOYSA-N 1 2 387.915 3.815 20 10 GHCDLO Cc1cccc(NC(=O)NC2CC[NH+](Cc3c(O)cc(F)cc3F)CC2)c1 ZINC001140585354 1022009281 /nfs/dbraw/zinc/00/92/81/1022009281.db2.gz GLYFXCYDGKNVQU-UHFFFAOYSA-N 1 2 375.419 3.765 20 10 GHCDLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)nc1C ZINC000755034133 1023034386 /nfs/dbraw/zinc/03/43/86/1023034386.db2.gz LAPJWLRKSWJMKQ-JTQLQIEISA-N 1 2 380.441 3.526 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCc3c(Br)cccc3C2)c(OC)c1 ZINC001141029124 1023278802 /nfs/dbraw/zinc/27/88/02/1023278802.db2.gz JOWPEPJXLXNJBA-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCc3c(Br)cccc3C2)c(OC)c1 ZINC001141029124 1023278810 /nfs/dbraw/zinc/27/88/10/1023278810.db2.gz JOWPEPJXLXNJBA-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO Cc1cccc([C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)N2CCOCC2)c1 ZINC000756408438 1023632304 /nfs/dbraw/zinc/63/23/04/1023632304.db2.gz MPAWUADESARYTB-YWZLYKJASA-N 1 2 376.447 3.703 20 10 GHCDLO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)cc1 ZINC000756445472 1023654785 /nfs/dbraw/zinc/65/47/85/1023654785.db2.gz NYSKXKLKSBJTKU-LBPRGKRZSA-N 1 2 395.272 3.683 20 10 GHCDLO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cc(F)cc(F)c1O ZINC000756459530 1023662581 /nfs/dbraw/zinc/66/25/81/1023662581.db2.gz OGRSBXVZXSAMSG-JTQLQIEISA-N 1 2 399.235 3.514 20 10 GHCDLO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(Br)c(F)cc1O ZINC000756528731 1023700297 /nfs/dbraw/zinc/70/02/97/1023700297.db2.gz WCYISOKPGBLQGL-SECBINFHSA-N 1 2 399.226 3.971 20 10 GHCDLO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000756575830 1023717730 /nfs/dbraw/zinc/71/77/30/1023717730.db2.gz QQFSLEAEGKVCNJ-RVBZMBCESA-N 1 2 395.135 3.975 20 10 GHCDLO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000756575827 1023718689 /nfs/dbraw/zinc/71/86/89/1023718689.db2.gz QQFSLEAEGKVCNJ-MWODSPESSA-N 1 2 395.135 3.975 20 10 GHCDLO C[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccc(F)cc1O ZINC000756643557 1023751258 /nfs/dbraw/zinc/75/12/58/1023751258.db2.gz VXEBXRFJWWHFQZ-CYBMUJFWSA-N 1 2 385.464 3.769 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)c(F)cc1O ZINC000756660331 1023760614 /nfs/dbraw/zinc/76/06/14/1023760614.db2.gz VUOJKWJAOZEXCB-WCQYABFASA-N 1 2 399.304 3.736 20 10 GHCDLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(Br)cc(F)c1O ZINC000756714541 1023785479 /nfs/dbraw/zinc/78/54/79/1023785479.db2.gz ZTATUPADYMRPEJ-RTHLEPHNSA-N 1 2 390.199 3.956 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(F)c1O ZINC000756764614 1023805399 /nfs/dbraw/zinc/80/53/99/1023805399.db2.gz JPDFVCJIDNNEQF-YPMHNXCESA-N 1 2 388.277 3.673 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Br)c(F)cc1O ZINC000756764378 1023805465 /nfs/dbraw/zinc/80/54/65/1023805465.db2.gz HYPJFOIAWUAKSW-NEPJUHHUSA-N 1 2 388.277 3.673 20 10 GHCDLO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cc(Br)cc(Br)c1O ZINC000756770686 1023808909 /nfs/dbraw/zinc/80/89/09/1023808909.db2.gz ZKMICIGAJAHJTK-KCJUWKMLSA-N 1 2 393.119 3.729 20 10 GHCDLO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000756776034 1023811219 /nfs/dbraw/zinc/81/12/19/1023811219.db2.gz UQGYZDSIFCYIFT-GWCFXTLKSA-N 1 2 396.256 3.957 20 10 GHCDLO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3cc([N+](=O)[O-])ccc3O)c(C)c2)CC1 ZINC000756792919 1023816568 /nfs/dbraw/zinc/81/65/68/1023816568.db2.gz PLZFTTZKYCGBLZ-INIZCTEOSA-N 1 2 384.480 3.924 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(O)ccc2O)[C@H](c2cccs2)C1 ZINC001141162523 1023987155 /nfs/dbraw/zinc/98/71/55/1023987155.db2.gz VQPCMSCVHFDYPO-INIZCTEOSA-N 1 2 390.505 3.953 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(O)ccc2O)[C@H](c2cccs2)C1 ZINC001141162523 1023987158 /nfs/dbraw/zinc/98/71/58/1023987158.db2.gz VQPCMSCVHFDYPO-INIZCTEOSA-N 1 2 390.505 3.953 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2c3ccccc3n(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001138254024 1024475462 /nfs/dbraw/zinc/47/54/62/1024475462.db2.gz ODZGLMFAGYMOON-GOSISDBHSA-N 1 2 393.535 3.624 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2c3ccccc3n(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001138254024 1024475473 /nfs/dbraw/zinc/47/54/73/1024475473.db2.gz ODZGLMFAGYMOON-GOSISDBHSA-N 1 2 393.535 3.624 20 10 GHCDLO Oc1c(C[N@@H+]2CCc3c([nH]nc3C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138341760 1024702014 /nfs/dbraw/zinc/70/20/14/1024702014.db2.gz JXFMVCCEQDDIBP-IBGZPJMESA-N 1 2 392.425 3.948 20 10 GHCDLO Oc1c(C[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138341760 1024702025 /nfs/dbraw/zinc/70/20/25/1024702025.db2.gz JXFMVCCEQDDIBP-IBGZPJMESA-N 1 2 392.425 3.948 20 10 GHCDLO COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141372996 1024760835 /nfs/dbraw/zinc/76/08/35/1024760835.db2.gz IKMNHDWSQBNYGY-SNVBAGLBSA-N 1 2 376.678 3.583 20 10 GHCDLO COC(=O)CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141372996 1024760849 /nfs/dbraw/zinc/76/08/49/1024760849.db2.gz IKMNHDWSQBNYGY-SNVBAGLBSA-N 1 2 376.678 3.583 20 10 GHCDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1C ZINC000840488092 1027573524 /nfs/dbraw/zinc/57/35/24/1027573524.db2.gz JAKMPUGMFZKJRT-QGZVFWFLSA-N 1 2 398.551 3.854 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)cc1 ZINC001203938616 1027730671 /nfs/dbraw/zinc/73/06/71/1027730671.db2.gz HNYQZWGQYFRSHP-HXUWFJFHSA-N 1 2 382.552 3.792 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2Cc3nn(C)cc3[C@@H](COCC3CC3)C2)cc1 ZINC001203938616 1027730691 /nfs/dbraw/zinc/73/06/91/1027730691.db2.gz HNYQZWGQYFRSHP-HXUWFJFHSA-N 1 2 382.552 3.792 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)cc1 ZINC001203946785 1027742092 /nfs/dbraw/zinc/74/20/92/1027742092.db2.gz XHMABMAYLKWFQR-HXUWFJFHSA-N 1 2 376.541 3.856 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)cc1 ZINC001203946785 1027742107 /nfs/dbraw/zinc/74/21/07/1027742107.db2.gz XHMABMAYLKWFQR-HXUWFJFHSA-N 1 2 376.541 3.856 20 10 GHCDLO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(Br)c(F)cc1O ZINC000840879258 1027916536 /nfs/dbraw/zinc/91/65/36/1027916536.db2.gz CVCLIEOVBOCXKI-CMPLNLGQSA-N 1 2 386.236 3.860 20 10 GHCDLO CC(C)(C)OC(=O)N1CCOC2(C[NH+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143104479 1029842358 /nfs/dbraw/zinc/84/23/58/1029842358.db2.gz SZRAGBIGKGVPMN-UHFFFAOYSA-N 1 2 390.524 3.511 20 10 GHCDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2ccc(N)cc2)cc1 ZINC000843487914 1030040429 /nfs/dbraw/zinc/04/04/29/1030040429.db2.gz MAELQSVMXDQWSY-UHFFFAOYSA-N 1 2 392.503 3.526 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277387628 1033484121 /nfs/dbraw/zinc/48/41/21/1033484121.db2.gz MROICDNWXOIJSZ-HXUWFJFHSA-N 1 2 380.891 3.942 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CCC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277387628 1033484126 /nfs/dbraw/zinc/48/41/26/1033484126.db2.gz MROICDNWXOIJSZ-HXUWFJFHSA-N 1 2 380.891 3.942 20 10 GHCDLO Cc1cnc(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)cn1 ZINC001207082467 1034084806 /nfs/dbraw/zinc/08/48/06/1034084806.db2.gz LIKRUEBZPDSOJW-UHFFFAOYSA-N 1 2 385.471 3.915 20 10 GHCDLO O=C(NCc1cccc(Cl)c1O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001159041384 1034397201 /nfs/dbraw/zinc/39/72/01/1034397201.db2.gz KXONPBUUUVBTOZ-GOSISDBHSA-N 1 2 376.859 3.856 20 10 GHCDLO O=C(NCc1cccc(Cl)c1O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001159041384 1034397216 /nfs/dbraw/zinc/39/72/16/1034397216.db2.gz KXONPBUUUVBTOZ-GOSISDBHSA-N 1 2 376.859 3.856 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277509970 1034544307 /nfs/dbraw/zinc/54/43/07/1034544307.db2.gz KYLHGCLHCNJUPG-INIZCTEOSA-N 1 2 394.796 3.562 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277509970 1034544320 /nfs/dbraw/zinc/54/43/20/1034544320.db2.gz KYLHGCLHCNJUPG-INIZCTEOSA-N 1 2 394.796 3.562 20 10 GHCDLO O=C1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCN1C1CCCC1 ZINC001231469032 1034614032 /nfs/dbraw/zinc/61/40/32/1034614032.db2.gz NBQZSSQCBXADPJ-UHFFFAOYSA-N 1 2 380.488 3.558 20 10 GHCDLO O=C1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCN1C1CCCC1 ZINC001231469032 1034614037 /nfs/dbraw/zinc/61/40/37/1034614037.db2.gz NBQZSSQCBXADPJ-UHFFFAOYSA-N 1 2 380.488 3.558 20 10 GHCDLO CCOCCCn1c2ccccc2[nH+]c1NCc1cc(OC)c(OC)cc1O ZINC001207873224 1034634453 /nfs/dbraw/zinc/63/44/53/1034634453.db2.gz NTKMNQBBWAUPAZ-UHFFFAOYSA-N 1 2 385.464 3.798 20 10 GHCDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 ZINC001461967268 1069919585 /nfs/dbraw/zinc/91/95/85/1069919585.db2.gz ICNRXXMBSHXQTP-WAYWQWQTSA-N 1 2 397.950 3.806 20 10 GHCDLO CCOC(=O)C[C@](C)([NH2+]Cc1cc(Br)cc(F)c1O)C(C)C ZINC001462131125 1070021574 /nfs/dbraw/zinc/02/15/74/1070021574.db2.gz XJBVAVLPYQAKQL-INIZCTEOSA-N 1 2 376.266 3.751 20 10 GHCDLO C[N@@H+]1CCN(Cc2c(O)cc(Br)cc2F)C[C@H]1c1ccccc1 ZINC001233030976 1038781778 /nfs/dbraw/zinc/78/17/78/1038781778.db2.gz UUQYHUYJKAPFMF-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2c(O)cc(Br)cc2F)C[C@H]1c1ccccc1 ZINC001233030976 1038781792 /nfs/dbraw/zinc/78/17/92/1038781792.db2.gz UUQYHUYJKAPFMF-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO CCOC(=O)CCC1CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233031675 1038786213 /nfs/dbraw/zinc/78/62/13/1038786213.db2.gz KUVRJZFNFASNMN-UHFFFAOYSA-N 1 2 388.277 3.849 20 10 GHCDLO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C[C@H]1C ZINC001233033438 1038787262 /nfs/dbraw/zinc/78/72/62/1038787262.db2.gz OBCCAEFYLPIDNN-NEPJUHHUSA-N 1 2 388.277 3.705 20 10 GHCDLO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C[C@H]1C ZINC001233033438 1038787284 /nfs/dbraw/zinc/78/72/84/1038787284.db2.gz OBCCAEFYLPIDNN-NEPJUHHUSA-N 1 2 388.277 3.705 20 10 GHCDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233194603 1038961320 /nfs/dbraw/zinc/96/13/20/1038961320.db2.gz ZHYPQJYDISKLRX-MRXNPFEDSA-N 1 2 386.236 3.900 20 10 GHCDLO C[C@]1(CO)CC(F)(F)C[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233194603 1038961326 /nfs/dbraw/zinc/96/13/26/1038961326.db2.gz ZHYPQJYDISKLRX-MRXNPFEDSA-N 1 2 386.236 3.900 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001233333213 1039130102 /nfs/dbraw/zinc/13/01/02/1039130102.db2.gz OAGMTLOCLQJOAS-LJQANCHMSA-N 1 2 395.400 3.803 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001233333213 1039130127 /nfs/dbraw/zinc/13/01/27/1039130127.db2.gz OAGMTLOCLQJOAS-LJQANCHMSA-N 1 2 395.400 3.803 20 10 GHCDLO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235063857 1040551858 /nfs/dbraw/zinc/55/18/58/1040551858.db2.gz BSFRJOJSRLKDLO-SFHVURJKSA-N 1 2 399.304 3.517 20 10 GHCDLO CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235063857 1040551874 /nfs/dbraw/zinc/55/18/74/1040551874.db2.gz BSFRJOJSRLKDLO-SFHVURJKSA-N 1 2 399.304 3.517 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1)C1CCCC1 ZINC001235065779 1040554152 /nfs/dbraw/zinc/55/41/52/1040554152.db2.gz SGRZPCBYKPLSFQ-UHFFFAOYSA-N 1 2 399.304 3.565 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1cc(C(F)(F)F)nn1[C@H]1CCCCO1)CC2 ZINC001235572607 1040994175 /nfs/dbraw/zinc/99/41/75/1040994175.db2.gz SFDXHTIIBWJVLB-GOSISDBHSA-N 1 2 381.398 3.865 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1cc(C(F)(F)F)nn1[C@H]1CCCCO1)CC2 ZINC001235572607 1040994176 /nfs/dbraw/zinc/99/41/76/1040994176.db2.gz SFDXHTIIBWJVLB-GOSISDBHSA-N 1 2 381.398 3.865 20 10 GHCDLO COC(=O)C(C)(C)C[N@@H+](Cc1cc(Br)cc(F)c1O)CC(C)C ZINC001462537740 1070340921 /nfs/dbraw/zinc/34/09/21/1070340921.db2.gz AKRHQPSBGABEBX-UHFFFAOYSA-N 1 2 390.293 3.951 20 10 GHCDLO COC(=O)C(C)(C)C[N@H+](Cc1cc(Br)cc(F)c1O)CC(C)C ZINC001462537740 1070340945 /nfs/dbraw/zinc/34/09/45/1070340945.db2.gz AKRHQPSBGABEBX-UHFFFAOYSA-N 1 2 390.293 3.951 20 10 GHCDLO [O-]c1c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc(Br)cc1C(F)(F)F ZINC001236240880 1041640069 /nfs/dbraw/zinc/64/00/69/1041640069.db2.gz MYQGZBKESBSNGP-ZDUSSCGKSA-N 1 2 393.247 3.890 20 10 GHCDLO [O-]c1c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc(Br)cc1C(F)(F)F ZINC001236240880 1041640073 /nfs/dbraw/zinc/64/00/73/1041640073.db2.gz MYQGZBKESBSNGP-ZDUSSCGKSA-N 1 2 393.247 3.890 20 10 GHCDLO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4cc(Cl)c(Cl)cc4O)C[C@H]3O2)n1 ZINC001236790952 1041896489 /nfs/dbraw/zinc/89/64/89/1041896489.db2.gz WTDKSRFAUSOUER-CIISACIHSA-N 1 2 384.263 3.743 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c(Cl)c1 ZINC001236794986 1041899753 /nfs/dbraw/zinc/89/97/53/1041899753.db2.gz HBOHEYNOSSWYNC-CEWLAPEOSA-N 1 2 395.927 3.993 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c(Cl)c1 ZINC001236794986 1041899757 /nfs/dbraw/zinc/89/97/57/1041899757.db2.gz HBOHEYNOSSWYNC-CEWLAPEOSA-N 1 2 395.927 3.993 20 10 GHCDLO COc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2ccc(C)o2)c(O)c1Cl ZINC001236801604 1041903892 /nfs/dbraw/zinc/90/38/92/1041903892.db2.gz KDMQTOBIRZMYEQ-SJORKVTESA-N 1 2 376.884 3.804 20 10 GHCDLO COc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2ccc(C)o2)c(O)c1Cl ZINC001236801604 1041903895 /nfs/dbraw/zinc/90/38/95/1041903895.db2.gz KDMQTOBIRZMYEQ-SJORKVTESA-N 1 2 376.884 3.804 20 10 GHCDLO COc1ccc(C[N@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236806891 1041907975 /nfs/dbraw/zinc/90/79/75/1041907975.db2.gz KIDYQIBAXZIFHX-UHFFFAOYSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1ccc(C[N@@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236806891 1041907977 /nfs/dbraw/zinc/90/79/77/1041907977.db2.gz KIDYQIBAXZIFHX-UHFFFAOYSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1ccc(OC2CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)nc1 ZINC001236810323 1041910471 /nfs/dbraw/zinc/91/04/71/1041910471.db2.gz TWIYTHFEIYHWAV-UHFFFAOYSA-N 1 2 378.856 3.501 20 10 GHCDLO COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(OC)c(Cl)c3O)C2)nc1 ZINC001236810600 1041910534 /nfs/dbraw/zinc/91/05/34/1041910534.db2.gz VCKLOOAAGZZGHR-OAHLLOKOSA-N 1 2 378.856 3.501 20 10 GHCDLO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cc(Br)cc1F ZINC001278045235 1042006049 /nfs/dbraw/zinc/00/60/49/1042006049.db2.gz MDJJVNGPQIYFSH-HZPDHXFCSA-N 1 2 399.304 3.659 20 10 GHCDLO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)cc(Br)cc1F ZINC001278045235 1042006053 /nfs/dbraw/zinc/00/60/53/1042006053.db2.gz MDJJVNGPQIYFSH-HZPDHXFCSA-N 1 2 399.304 3.659 20 10 GHCDLO CCCCN1CC[C@]2(CC[N@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278045721 1042007380 /nfs/dbraw/zinc/00/73/80/1042007380.db2.gz PXMDKYCCHAAWJA-SFHVURJKSA-N 1 2 399.304 3.518 20 10 GHCDLO CCCCN1CC[C@]2(CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278045721 1042007387 /nfs/dbraw/zinc/00/73/87/1042007387.db2.gz PXMDKYCCHAAWJA-SFHVURJKSA-N 1 2 399.304 3.518 20 10 GHCDLO CCCCN(CCCC)c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1 ZINC001237216209 1042093305 /nfs/dbraw/zinc/09/33/05/1042093305.db2.gz QSLDEONTVWMCHF-QFIPXVFZSA-N 1 2 389.584 3.705 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001237619109 1042286529 /nfs/dbraw/zinc/28/65/29/1042286529.db2.gz MWDXIFOVTXXSQH-BHIYHBOVSA-N 1 2 392.858 3.781 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001237619109 1042286535 /nfs/dbraw/zinc/28/65/35/1042286535.db2.gz MWDXIFOVTXXSQH-BHIYHBOVSA-N 1 2 392.858 3.781 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001237619443 1042286565 /nfs/dbraw/zinc/28/65/65/1042286565.db2.gz QADICAZFSFLYMV-KRWDZBQOSA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792155 1042372734 /nfs/dbraw/zinc/37/27/34/1042372734.db2.gz PTQJURQBZUIFMR-ZANVPECISA-N 1 2 380.204 3.784 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792155 1042372737 /nfs/dbraw/zinc/37/27/37/1042372737.db2.gz PTQJURQBZUIFMR-ZANVPECISA-N 1 2 380.204 3.784 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237801832 1042377495 /nfs/dbraw/zinc/37/74/95/1042377495.db2.gz IVFIMNDOYYDYAF-LLVKDONJSA-N 1 2 391.752 3.647 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001237801832 1042377497 /nfs/dbraw/zinc/37/74/97/1042377497.db2.gz IVFIMNDOYYDYAF-LLVKDONJSA-N 1 2 391.752 3.647 20 10 GHCDLO CC(C)Oc1ncc(Br)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001238442903 1042597508 /nfs/dbraw/zinc/59/75/08/1042597508.db2.gz WJDGJANNDSFVQC-UHFFFAOYSA-N 1 2 377.282 3.895 20 10 GHCDLO CC(C)Oc1ncc(Br)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001238442903 1042597511 /nfs/dbraw/zinc/59/75/11/1042597511.db2.gz WJDGJANNDSFVQC-UHFFFAOYSA-N 1 2 377.282 3.895 20 10 GHCDLO Oc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCCC(F)(F)F)cc1Cl ZINC001279573666 1047845164 /nfs/dbraw/zinc/84/51/64/1047845164.db2.gz XEVNEVVXPFMLED-BETUJISGSA-N 1 2 378.822 3.742 20 10 GHCDLO Oc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCCC(F)(F)F)cc1Cl ZINC001279573666 1047845175 /nfs/dbraw/zinc/84/51/75/1047845175.db2.gz XEVNEVVXPFMLED-BETUJISGSA-N 1 2 378.822 3.742 20 10 GHCDLO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001308330658 1049950618 /nfs/dbraw/zinc/95/06/18/1049950618.db2.gz NHGRXBYNJVSRSZ-QGZVFWFLSA-N 1 2 376.859 3.508 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001308513338 1049995034 /nfs/dbraw/zinc/99/50/34/1049995034.db2.gz NZOSNEWWOCUARB-PWSUYJOCSA-N 1 2 386.183 3.883 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001308627414 1050039082 /nfs/dbraw/zinc/03/90/82/1050039082.db2.gz KHPMPPRNPXFYLN-LLVKDONJSA-N 1 2 382.689 3.978 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001308627414 1050039089 /nfs/dbraw/zinc/03/90/89/1050039089.db2.gz KHPMPPRNPXFYLN-LLVKDONJSA-N 1 2 382.689 3.978 20 10 GHCDLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001308748753 1050080097 /nfs/dbraw/zinc/08/00/97/1050080097.db2.gz MIFFMNDKZIVDCC-INIZCTEOSA-N 1 2 383.483 3.864 20 10 GHCDLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001308748753 1050080102 /nfs/dbraw/zinc/08/01/02/1050080102.db2.gz MIFFMNDKZIVDCC-INIZCTEOSA-N 1 2 383.483 3.864 20 10 GHCDLO Oc1c(F)cccc1C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC001308938426 1050198164 /nfs/dbraw/zinc/19/81/64/1050198164.db2.gz MBGPHEMMTKPGLA-UHFFFAOYSA-N 1 2 376.229 3.769 20 10 GHCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001464347939 1064965648 /nfs/dbraw/zinc/96/56/48/1064965648.db2.gz QZSVCYKOYSMGBW-UHFFFAOYSA-N 1 2 390.531 3.977 20 10 GHCDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001472588645 1073562984 /nfs/dbraw/zinc/56/29/84/1073562984.db2.gz DDRNCFNWGWVTPS-QGZVFWFLSA-N 1 2 377.891 3.911 20 10 GHCDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001472588645 1073562991 /nfs/dbraw/zinc/56/29/91/1073562991.db2.gz DDRNCFNWGWVTPS-QGZVFWFLSA-N 1 2 377.891 3.911 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+](C)CCC1CC1 ZINC001473286343 1073906997 /nfs/dbraw/zinc/90/69/97/1073906997.db2.gz HXRFTZABRJJOJE-AWEZNQCLSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+](C)CCC1CC1 ZINC001473286343 1073907006 /nfs/dbraw/zinc/90/70/06/1073907006.db2.gz HXRFTZABRJJOJE-AWEZNQCLSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)[C@@H](C(N)=O)C1 ZINC001474466031 1074419185 /nfs/dbraw/zinc/41/91/85/1074419185.db2.gz FSSJITIGTNJQFT-RDTXWAMCSA-N 1 2 394.357 3.525 20 10 GHCDLO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)[C@@H](C(N)=O)C1 ZINC001474466031 1074419191 /nfs/dbraw/zinc/41/91/91/1074419191.db2.gz FSSJITIGTNJQFT-RDTXWAMCSA-N 1 2 394.357 3.525 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(c3cccc(F)n3)CC2)c(C(F)(F)F)c1 ZINC001474537609 1074454345 /nfs/dbraw/zinc/45/43/45/1074454345.db2.gz PEBODWCUXZMWKV-UHFFFAOYSA-N 1 2 382.405 3.628 20 10 GHCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000052466971 834756422 /nfs/dbraw/zinc/75/64/22/834756422.db2.gz PBEZYUINACBLHZ-OAHLLOKOSA-N 1 2 389.446 3.513 20 10 GHCDLO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000052466971 834756427 /nfs/dbraw/zinc/75/64/27/834756427.db2.gz PBEZYUINACBLHZ-OAHLLOKOSA-N 1 2 389.446 3.513 20 10 GHCDLO Cc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1Cl ZINC000588595762 835909747 /nfs/dbraw/zinc/90/97/47/835909747.db2.gz GOWPZCQKRVPIOE-VBKFSLOCSA-N 1 2 396.965 3.572 20 10 GHCDLO COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000728937539 844443575 /nfs/dbraw/zinc/44/35/75/844443575.db2.gz FCAGLRBLMSHILF-ZDUSSCGKSA-N 1 2 390.509 3.726 20 10 GHCDLO COc1ccc(C[NH2+][C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c(O)c1OC ZINC000894181883 844590903 /nfs/dbraw/zinc/59/09/03/844590903.db2.gz USTLMVPSCLVTRD-LLVKDONJSA-N 1 2 389.839 3.964 20 10 GHCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000192255421 841701661 /nfs/dbraw/zinc/70/16/61/841701661.db2.gz PQZNJNGNKNJSSX-UHFFFAOYSA-N 1 2 379.508 3.800 20 10 GHCDLO Cc1cc(C(=O)COC(=O)CCc2ccc(N)[nH+]c2)c(C)n1-c1cccc(F)c1 ZINC000759808801 841740972 /nfs/dbraw/zinc/74/09/72/841740972.db2.gz HGYBLQWSXSOCNT-UHFFFAOYSA-N 1 2 395.434 3.569 20 10 GHCDLO COCCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588541077 848076354 /nfs/dbraw/zinc/07/63/54/848076354.db2.gz WSNZRTOTXSJLAF-HXUWFJFHSA-N 1 2 382.464 3.778 20 10 GHCDLO COCCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588541077 848076357 /nfs/dbraw/zinc/07/63/57/848076357.db2.gz WSNZRTOTXSJLAF-HXUWFJFHSA-N 1 2 382.464 3.778 20 10 GHCDLO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000760886739 856232857 /nfs/dbraw/zinc/23/28/57/856232857.db2.gz ODYFAJDLOASKFP-CUOATXAZSA-N 1 2 378.694 3.653 20 10 GHCDLO COc1ccc2[nH]cc(CC[NH2+]Cc3cccc(Br)c3O)c2c1 ZINC000733326727 862867779 /nfs/dbraw/zinc/86/77/79/862867779.db2.gz WFZPDNDSQSPVBL-UHFFFAOYSA-N 1 2 375.266 3.977 20 10 GHCDLO O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816095 857791000 /nfs/dbraw/zinc/79/10/00/857791000.db2.gz QDCIHSWANXJNPB-MRDWYFFCSA-N 1 2 381.476 3.556 20 10 GHCDLO O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816095 857791005 /nfs/dbraw/zinc/79/10/05/857791005.db2.gz QDCIHSWANXJNPB-MRDWYFFCSA-N 1 2 381.476 3.556 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000227022216 858379407 /nfs/dbraw/zinc/37/94/07/858379407.db2.gz RZPMJABXQXIZNR-CYBMUJFWSA-N 1 2 385.302 3.644 20 10 GHCDLO CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000895365937 859275213 /nfs/dbraw/zinc/27/52/13/859275213.db2.gz KYXWLIICABDYIY-UHFFFAOYSA-N 1 2 375.350 3.633 20 10 GHCDLO NS(=O)(=O)c1ccc(Nc2ccc([NH2+]CC3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000301153801 865192923 /nfs/dbraw/zinc/19/29/23/865192923.db2.gz FGCGTRCYDOTQGI-UHFFFAOYSA-N 1 2 390.465 3.588 20 10 GHCDLO COc1ccc(N2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)cc1F ZINC001168069481 866171817 /nfs/dbraw/zinc/17/18/17/866171817.db2.gz YGEAJTWZZBIBTE-UHFFFAOYSA-N 1 2 382.838 3.828 20 10 GHCDLO OC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775690713 872940344 /nfs/dbraw/zinc/94/03/44/872940344.db2.gz XBLQWIANPJAZIX-SFHVURJKSA-N 1 2 381.303 3.550 20 10 GHCDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775696182 872951042 /nfs/dbraw/zinc/95/10/42/872951042.db2.gz IILZAXJOBGBGDH-INIZCTEOSA-N 1 2 378.266 3.809 20 10 GHCDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775696182 872951050 /nfs/dbraw/zinc/95/10/50/872951050.db2.gz IILZAXJOBGBGDH-INIZCTEOSA-N 1 2 378.266 3.809 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)c2C)cc1 ZINC000768160370 873120990 /nfs/dbraw/zinc/12/09/90/873120990.db2.gz ZXHCBQQBNYPVFT-GOSISDBHSA-N 1 2 392.503 3.856 20 10 GHCDLO COc1cccc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000768217099 873171069 /nfs/dbraw/zinc/17/10/69/873171069.db2.gz DZEBABRQHNASGJ-UHFFFAOYSA-N 1 2 380.410 3.737 20 10 GHCDLO O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CC([NH+]2CCCCC2)C1 ZINC001197176251 873638974 /nfs/dbraw/zinc/63/89/74/873638974.db2.gz PCDHBAQQUDLESY-QURGRASLSA-N 1 2 384.505 3.961 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(O)c(Cl)c1 ZINC000771058894 875016320 /nfs/dbraw/zinc/01/63/20/875016320.db2.gz ONLPPVVAXMVGPQ-OAHLLOKOSA-N 1 2 395.286 3.799 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(O)c(Cl)c1 ZINC000771058894 875016334 /nfs/dbraw/zinc/01/63/34/875016334.db2.gz ONLPPVVAXMVGPQ-OAHLLOKOSA-N 1 2 395.286 3.799 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC1(O)CCCCC1 ZINC000776155115 875637178 /nfs/dbraw/zinc/63/71/78/875637178.db2.gz YIMUCPAICAFASY-UHFFFAOYSA-N 1 2 393.119 3.702 20 10 GHCDLO CCS[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000121706780 877671939 /nfs/dbraw/zinc/67/19/39/877671939.db2.gz SYNYFNSPPVMNFG-HNNXBMFYSA-N 1 2 376.526 3.605 20 10 GHCDLO CCS[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000121706780 877671945 /nfs/dbraw/zinc/67/19/45/877671945.db2.gz SYNYFNSPPVMNFG-HNNXBMFYSA-N 1 2 376.526 3.605 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1F ZINC000746759755 878291673 /nfs/dbraw/zinc/29/16/73/878291673.db2.gz ICYRLZBPOIUAJI-UHFFFAOYSA-N 1 2 397.498 3.670 20 10 GHCDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1nnc2n1CCCCC2 ZINC000852627690 878478798 /nfs/dbraw/zinc/47/87/98/878478798.db2.gz HMCSRBUHGDZRGJ-INIZCTEOSA-N 1 2 376.888 3.807 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)cc1F ZINC000180705960 879181999 /nfs/dbraw/zinc/18/19/99/879181999.db2.gz SVPXTCRZNFHAAP-UHFFFAOYSA-N 1 2 386.496 3.743 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1O ZINC000776690791 879226608 /nfs/dbraw/zinc/22/66/08/879226608.db2.gz HQPSEMQTKIBGMD-QGZVFWFLSA-N 1 2 392.293 3.607 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1O ZINC000776690791 879226623 /nfs/dbraw/zinc/22/66/23/879226623.db2.gz HQPSEMQTKIBGMD-QGZVFWFLSA-N 1 2 392.293 3.607 20 10 GHCDLO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1O ZINC000184955759 883407546 /nfs/dbraw/zinc/40/75/46/883407546.db2.gz HUZOGTRMSHAIPS-NSHDSACASA-N 1 2 397.292 3.505 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000859181549 883642808 /nfs/dbraw/zinc/64/28/08/883642808.db2.gz OXQJUZONZSKBMI-JOCHJYFZSA-N 1 2 390.487 3.509 20 10 GHCDLO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000914573199 884176205 /nfs/dbraw/zinc/17/62/05/884176205.db2.gz KFWIWWDJXQAQBT-UHFFFAOYSA-N 1 2 380.448 3.879 20 10 GHCDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809721041 887747307 /nfs/dbraw/zinc/74/73/07/887747307.db2.gz RQCACKBUQMLJPJ-AWEZNQCLSA-N 1 2 385.302 3.644 20 10 GHCDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809721041 887747314 /nfs/dbraw/zinc/74/73/14/887747314.db2.gz RQCACKBUQMLJPJ-AWEZNQCLSA-N 1 2 385.302 3.644 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000814171061 892366989 /nfs/dbraw/zinc/36/69/89/892366989.db2.gz JJIKTIWJZMRDJZ-OAHLLOKOSA-N 1 2 392.487 3.561 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000814171061 892367003 /nfs/dbraw/zinc/36/70/03/892367003.db2.gz JJIKTIWJZMRDJZ-OAHLLOKOSA-N 1 2 392.487 3.561 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000918229601 893372526 /nfs/dbraw/zinc/37/25/26/893372526.db2.gz JWDAFEHQBADJSI-UHFFFAOYSA-N 1 2 386.565 3.622 20 10 GHCDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000877385628 893586201 /nfs/dbraw/zinc/58/62/01/893586201.db2.gz DFUWFTHEPGYPLV-QFIPXVFZSA-N 1 2 386.923 3.875 20 10 GHCDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000877385628 893586210 /nfs/dbraw/zinc/58/62/10/893586210.db2.gz DFUWFTHEPGYPLV-QFIPXVFZSA-N 1 2 386.923 3.875 20 10 GHCDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000877385627 893586375 /nfs/dbraw/zinc/58/63/75/893586375.db2.gz DFUWFTHEPGYPLV-JOCHJYFZSA-N 1 2 386.923 3.875 20 10 GHCDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000877385627 893586386 /nfs/dbraw/zinc/58/63/86/893586386.db2.gz DFUWFTHEPGYPLV-JOCHJYFZSA-N 1 2 386.923 3.875 20 10 GHCDLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000918473921 893773170 /nfs/dbraw/zinc/77/31/70/893773170.db2.gz OKSGKOHSTHNRCN-UHFFFAOYSA-N 1 2 390.447 3.834 20 10 GHCDLO O=C(CCc1ccccc1)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816535722 894906496 /nfs/dbraw/zinc/90/64/96/894906496.db2.gz YAAUOXXZDDSYEM-UHFFFAOYSA-N 1 2 390.886 3.898 20 10 GHCDLO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816566858 894949051 /nfs/dbraw/zinc/94/90/51/894949051.db2.gz JDJVQFWAYSNYRH-HNNXBMFYSA-N 1 2 398.887 3.591 20 10 GHCDLO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816566858 894949056 /nfs/dbraw/zinc/94/90/56/894949056.db2.gz JDJVQFWAYSNYRH-HNNXBMFYSA-N 1 2 398.887 3.591 20 10 GHCDLO Cc1cccn2cc(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)[nH+]c12 ZINC000041284309 896165564 /nfs/dbraw/zinc/16/55/64/896165564.db2.gz HIENOCHCNFWXMV-UHFFFAOYSA-N 1 2 395.418 3.599 20 10 GHCDLO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc(Cl)cc(Br)c2O)c[nH]1 ZINC000883190075 897354146 /nfs/dbraw/zinc/35/41/46/897354146.db2.gz UTPFNUUIEHOSPY-CJNGLKHVSA-N 1 2 399.672 3.529 20 10 GHCDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000822534432 898423194 /nfs/dbraw/zinc/42/31/94/898423194.db2.gz GJCYLBNNDCYNHZ-UHFFFAOYSA-N 1 2 396.443 3.771 20 10 GHCDLO Cc1ccn2cc(C[N@@H+](C)Cc3cc(Br)c(F)cc3O)nc2c1 ZINC001144308403 901700873 /nfs/dbraw/zinc/70/08/73/901700873.db2.gz MUWPZTIYNMHGPG-UHFFFAOYSA-N 1 2 378.245 3.882 20 10 GHCDLO Cc1ccn2cc(C[N@H+](C)Cc3cc(Br)c(F)cc3O)nc2c1 ZINC001144308403 901700886 /nfs/dbraw/zinc/70/08/86/901700886.db2.gz MUWPZTIYNMHGPG-UHFFFAOYSA-N 1 2 378.245 3.882 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000779144754 904628188 /nfs/dbraw/zinc/62/81/88/904628188.db2.gz OIYZAZCSFPPVSX-DHIUTWEWSA-N 1 2 396.531 3.866 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000779144754 904628195 /nfs/dbraw/zinc/62/81/95/904628195.db2.gz OIYZAZCSFPPVSX-DHIUTWEWSA-N 1 2 396.531 3.866 20 10 GHCDLO CCOc1ccc(C[C@H](C[NH2+]Cc2cccc(Cl)c2O)C(=O)OC)cc1 ZINC000779431539 907034563 /nfs/dbraw/zinc/03/45/63/907034563.db2.gz JTGRBXMUCKNFBS-MRXNPFEDSA-N 1 2 377.868 3.566 20 10 GHCDLO CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001174623112 907120579 /nfs/dbraw/zinc/12/05/79/907120579.db2.gz OJFIYOWIPUAAQX-HZPDHXFCSA-N 1 2 390.483 3.911 20 10 GHCDLO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001174623112 907120584 /nfs/dbraw/zinc/12/05/84/907120584.db2.gz OJFIYOWIPUAAQX-HZPDHXFCSA-N 1 2 390.483 3.911 20 10 GHCDLO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001177986188 908862191 /nfs/dbraw/zinc/86/21/91/908862191.db2.gz WBOJVBGMUATXIN-AWEZNQCLSA-N 1 2 392.446 3.816 20 10 GHCDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1cc(Br)ccc1O ZINC000271147502 910794743 /nfs/dbraw/zinc/79/47/43/910794743.db2.gz ISGMWWKBWBSQFI-UHFFFAOYSA-N 1 2 378.192 3.546 20 10 GHCDLO Fc1ccc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1Cl ZINC000092972837 911979545 /nfs/dbraw/zinc/97/95/45/911979545.db2.gz AAIRXVHUOWIUAQ-OAQYLSRUSA-N 1 2 390.886 3.889 20 10 GHCDLO Fc1ccc([C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1Cl ZINC000092972837 911979562 /nfs/dbraw/zinc/97/95/62/911979562.db2.gz AAIRXVHUOWIUAQ-OAQYLSRUSA-N 1 2 390.886 3.889 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+](C)Cc3nc4ccsc4c(=O)[nH]3)cc2)CC1 ZINC000295794994 917501963 /nfs/dbraw/zinc/50/19/63/917501963.db2.gz RWIJFHABFQYLNF-UHFFFAOYSA-N 1 2 398.532 3.644 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+](C)Cc3nc4ccsc4c(=O)[nH]3)cc2)CC1 ZINC000295794994 917501975 /nfs/dbraw/zinc/50/19/75/917501975.db2.gz RWIJFHABFQYLNF-UHFFFAOYSA-N 1 2 398.532 3.644 20 10 GHCDLO CC[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cccc(Cl)c1O ZINC000903435565 923026177 /nfs/dbraw/zinc/02/61/77/923026177.db2.gz SADIYVPLRUGYSG-MFKMUULPSA-N 1 2 383.279 3.514 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000748832825 923853478 /nfs/dbraw/zinc/85/34/78/923853478.db2.gz OBQKRPSJTVPLIR-QFIPXVFZSA-N 1 2 396.531 3.855 20 10 GHCDLO C[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)c(F)c1 ZINC000753764161 929523547 /nfs/dbraw/zinc/52/35/47/929523547.db2.gz RUYMKVROJLWVNO-SJCJKPOMSA-N 1 2 378.394 3.725 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C[C@H]1CCCO1 ZINC000757842866 929822945 /nfs/dbraw/zinc/82/29/45/929822945.db2.gz FMUYRSKUHPRKKV-HXUWFJFHSA-N 1 2 398.894 3.808 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C[C@H]1CCCO1 ZINC000757842866 929822950 /nfs/dbraw/zinc/82/29/50/929822950.db2.gz FMUYRSKUHPRKKV-HXUWFJFHSA-N 1 2 398.894 3.808 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(C)(O)CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000759768985 930483060 /nfs/dbraw/zinc/48/30/60/930483060.db2.gz VDGSDGKEBLYCGX-UHFFFAOYSA-N 1 2 378.875 3.916 20 10 GHCDLO C[C@]1([NH2+]Cc2cc(Br)cc(Br)c2O)CCCOC1 ZINC000777508415 931309947 /nfs/dbraw/zinc/30/99/47/931309947.db2.gz ZBNBBMCYBAOIGI-ZDUSSCGKSA-N 1 2 379.092 3.576 20 10 GHCDLO O=C(NCCCSc1nccs1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783251126 931475510 /nfs/dbraw/zinc/47/55/10/931475510.db2.gz PUBYJQULLYFNDR-UHFFFAOYSA-N 1 2 393.582 3.724 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000797604401 932342401 /nfs/dbraw/zinc/34/24/01/932342401.db2.gz FJTHDNFUJQPWIM-GLJUWKHASA-N 1 2 384.314 3.622 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000797604401 932342407 /nfs/dbraw/zinc/34/24/07/932342407.db2.gz FJTHDNFUJQPWIM-GLJUWKHASA-N 1 2 384.314 3.622 20 10 GHCDLO Cc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000798088670 932525118 /nfs/dbraw/zinc/52/51/18/932525118.db2.gz RODWQHRQHZZLGY-SJCJKPOMSA-N 1 2 385.888 3.757 20 10 GHCDLO C[C@H](c1cccc(NC(=O)NCc2cccc(Cl)c2O)c1)[NH+]1CCOCC1 ZINC000930228007 933907637 /nfs/dbraw/zinc/90/76/37/933907637.db2.gz KWKYXEONVMRBHU-CQSZACIVSA-N 1 2 389.883 3.761 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2c(O)cccc2F)C[C@H]1C(F)(F)F ZINC001137840352 935817904 /nfs/dbraw/zinc/81/79/04/935817904.db2.gz YMZBWTHHMDNOGZ-OCCSQVGLSA-N 1 2 392.393 3.809 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2c(O)cccc2F)C[C@H]1C(F)(F)F ZINC001137840352 935817907 /nfs/dbraw/zinc/81/79/07/935817907.db2.gz YMZBWTHHMDNOGZ-OCCSQVGLSA-N 1 2 392.393 3.809 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(Cl)c1 ZINC001204523522 1032948446 /nfs/dbraw/zinc/94/84/46/1032948446.db2.gz JBWQGSKGJBAOFV-UHFFFAOYSA-N 1 2 397.906 3.722 20 10 GHCDLO Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c1O ZINC000800531651 1021316861 /nfs/dbraw/zinc/31/68/61/1021316861.db2.gz FBCFXLZBMRLRAT-IBGZPJMESA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c1O ZINC000800531651 1021316878 /nfs/dbraw/zinc/31/68/78/1021316878.db2.gz FBCFXLZBMRLRAT-IBGZPJMESA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)c1 ZINC000800532110 1021317871 /nfs/dbraw/zinc/31/78/71/1021317871.db2.gz LKITWKJNDKDPQZ-LJQANCHMSA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)c1 ZINC000800532110 1021317890 /nfs/dbraw/zinc/31/78/90/1021317890.db2.gz LKITWKJNDKDPQZ-LJQANCHMSA-N 1 2 383.492 3.890 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140338044 1021442088 /nfs/dbraw/zinc/44/20/88/1021442088.db2.gz SMOHICISRMKQLV-HXUWFJFHSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140338044 1021442103 /nfs/dbraw/zinc/44/21/03/1021442103.db2.gz SMOHICISRMKQLV-HXUWFJFHSA-N 1 2 396.915 3.648 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)Cc2nn(CC3CC3)cc21 ZINC001140339161 1021445419 /nfs/dbraw/zinc/44/54/19/1021445419.db2.gz UFKLEKKBBIJZQR-OAHLLOKOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)Cc2nn(CC3CC3)cc21 ZINC001140339161 1021445422 /nfs/dbraw/zinc/44/54/22/1021445422.db2.gz UFKLEKKBBIJZQR-OAHLLOKOSA-N 1 2 375.900 3.788 20 10 GHCDLO COc1cc(OC)c(C[C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2O)c(OC)c1 ZINC000834881488 1021605262 /nfs/dbraw/zinc/60/52/62/1021605262.db2.gz QPSPIYXLFNMCAK-NWDGAFQWSA-N 1 2 381.419 3.978 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cccc(F)c3Cl)CC2)cc1 ZINC001140567775 1021984680 /nfs/dbraw/zinc/98/46/80/1021984680.db2.gz HYIJXFZDBIBHEL-UHFFFAOYSA-N 1 2 378.875 3.827 20 10 GHCDLO CC(C)(C)OC(=O)N1CC(C2CC[NH+](Cc3c(O)cc(F)cc3F)CC2)C1 ZINC001140581087 1022001578 /nfs/dbraw/zinc/00/15/78/1022001578.db2.gz LNFMEUDJMYFFNC-UHFFFAOYSA-N 1 2 382.451 3.749 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140582856 1022003892 /nfs/dbraw/zinc/00/38/92/1022003892.db2.gz NTCBSYHUUORQKM-FQEVSTJZSA-N 1 2 382.451 3.893 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140582856 1022003901 /nfs/dbraw/zinc/00/39/01/1022003901.db2.gz NTCBSYHUUORQKM-FQEVSTJZSA-N 1 2 382.451 3.893 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC1CCC(O)CC1 ZINC000827515549 1022262494 /nfs/dbraw/zinc/26/24/94/1022262494.db2.gz MFHGVGHSPHFKCB-UHFFFAOYSA-N 1 2 393.119 3.558 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)Cc2cnn(CC)c21 ZINC001140924019 1022901176 /nfs/dbraw/zinc/90/11/76/1022901176.db2.gz KCAVYKTYUAJCRQ-QGZVFWFLSA-N 1 2 376.932 3.758 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)Cc2cnn(CC)c21 ZINC001140924019 1022901179 /nfs/dbraw/zinc/90/11/79/1022901179.db2.gz KCAVYKTYUAJCRQ-QGZVFWFLSA-N 1 2 376.932 3.758 20 10 GHCDLO C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cc(Br)cc(F)c1O ZINC000756372116 1023614444 /nfs/dbraw/zinc/61/44/44/1023614444.db2.gz OIPJCGRFQNCUNA-NSHDSACASA-N 1 2 396.256 3.958 20 10 GHCDLO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc(F)cc(F)c1O ZINC000756410062 1023633713 /nfs/dbraw/zinc/63/37/13/1023633713.db2.gz CWCAZSKJVVLLGF-LBPRGKRZSA-N 1 2 378.394 3.765 20 10 GHCDLO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000756430226 1023644360 /nfs/dbraw/zinc/64/43/60/1023644360.db2.gz JXEBGKMSPGRTOJ-CHWSQXEVSA-N 1 2 390.430 3.740 20 10 GHCDLO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(Br)c(F)cc1O ZINC000756456670 1023661739 /nfs/dbraw/zinc/66/17/39/1023661739.db2.gz IETFNVDFXHUGIL-GXTWGEPZSA-N 1 2 382.273 3.796 20 10 GHCDLO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(Br)cc(Cl)c1O ZINC000756476993 1023675425 /nfs/dbraw/zinc/67/54/25/1023675425.db2.gz VBGSVAFZDWGZKO-NSHDSACASA-N 1 2 397.700 3.775 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)cc(F)c1O ZINC000756503781 1023687586 /nfs/dbraw/zinc/68/75/86/1023687586.db2.gz PPBDVFSHYHSKMD-PSASIEDQSA-N 1 2 385.199 3.581 20 10 GHCDLO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756610242 1023736950 /nfs/dbraw/zinc/73/69/50/1023736950.db2.gz TYKOUEMUWKWQPB-HZPDHXFCSA-N 1 2 375.463 3.532 20 10 GHCDLO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(F)cc(F)c1O ZINC000756611519 1023738358 /nfs/dbraw/zinc/73/83/58/1023738358.db2.gz WLRQFTVRTRLKDJ-AVYPCKFXSA-N 1 2 376.447 3.611 20 10 GHCDLO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)cc(Cl)c1O ZINC000756788828 1023816874 /nfs/dbraw/zinc/81/68/74/1023816874.db2.gz DAVYQYHSHUZOHN-VIFPVBQESA-N 1 2 385.693 3.515 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2Cc3nn(CC)cc3[C@@H](COC)C2)c(OC)c1 ZINC001138386213 1024758231 /nfs/dbraw/zinc/75/82/31/1024758231.db2.gz JTXKJWRBTWJWFO-GOSISDBHSA-N 1 2 386.540 3.504 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2Cc3nn(CC)cc3[C@@H](COC)C2)c(OC)c1 ZINC001138386213 1024758235 /nfs/dbraw/zinc/75/82/35/1024758235.db2.gz JTXKJWRBTWJWFO-GOSISDBHSA-N 1 2 386.540 3.504 20 10 GHCDLO O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)CC2 ZINC001141374663 1024767317 /nfs/dbraw/zinc/76/73/17/1024767317.db2.gz LZPDHWNYIPQNPG-UHFFFAOYSA-N 1 2 383.673 3.510 20 10 GHCDLO O=c1ccc2c([nH]1)CC[N@H+](Cc1cc(Cl)cc(Br)c1O)CC2 ZINC001141374663 1024767326 /nfs/dbraw/zinc/76/73/26/1024767326.db2.gz LZPDHWNYIPQNPG-UHFFFAOYSA-N 1 2 383.673 3.510 20 10 GHCDLO CCCc1noc([C@@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130719 1025942908 /nfs/dbraw/zinc/94/29/08/1025942908.db2.gz HTVCCNUUNFSPRH-CQSZACIVSA-N 1 2 383.448 3.522 20 10 GHCDLO CCCc1noc([C@@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130719 1025942913 /nfs/dbraw/zinc/94/29/13/1025942913.db2.gz HTVCCNUUNFSPRH-CQSZACIVSA-N 1 2 383.448 3.522 20 10 GHCDLO COc1c(Br)cccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140155945 1026929525 /nfs/dbraw/zinc/92/95/25/1026929525.db2.gz OJSPDUODMYMEIR-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO COc1c(Br)cccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140155945 1026929529 /nfs/dbraw/zinc/92/95/29/1026929529.db2.gz OJSPDUODMYMEIR-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203565275 1027436379 /nfs/dbraw/zinc/43/63/79/1027436379.db2.gz YRMIIYUICCNRHO-ZJUUUORDSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203565275 1027436382 /nfs/dbraw/zinc/43/63/82/1027436382.db2.gz YRMIIYUICCNRHO-ZJUUUORDSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001203635830 1027493467 /nfs/dbraw/zinc/49/34/67/1027493467.db2.gz HMIPGFVREYBCPR-GFCCVEGCSA-N 1 2 385.302 3.596 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001203635830 1027493473 /nfs/dbraw/zinc/49/34/73/1027493473.db2.gz HMIPGFVREYBCPR-GFCCVEGCSA-N 1 2 385.302 3.596 20 10 GHCDLO COc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc(Br)c1O ZINC001204107074 1027878461 /nfs/dbraw/zinc/87/84/61/1027878461.db2.gz SMMMJZMPRYKFKO-UHFFFAOYSA-N 1 2 394.265 3.523 20 10 GHCDLO COc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc(Br)c1O ZINC001204107074 1027878484 /nfs/dbraw/zinc/87/84/84/1027878484.db2.gz SMMMJZMPRYKFKO-UHFFFAOYSA-N 1 2 394.265 3.523 20 10 GHCDLO COC[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001142513158 1029017438 /nfs/dbraw/zinc/01/74/38/1029017438.db2.gz ZPFLHTOHRGWQDF-KRWDZBQOSA-N 1 2 391.462 3.803 20 10 GHCDLO COC[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001142513158 1029017452 /nfs/dbraw/zinc/01/74/52/1029017452.db2.gz ZPFLHTOHRGWQDF-KRWDZBQOSA-N 1 2 391.462 3.803 20 10 GHCDLO COc1ccc(N2CC[C@@H](COC(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)cc1 ZINC000842874193 1029652094 /nfs/dbraw/zinc/65/20/94/1029652094.db2.gz AASVGVOSHQQCIV-LJQANCHMSA-N 1 2 391.471 3.623 20 10 GHCDLO Oc1ccc(-c2nc(-c3cccc(Cl)c3F)no2)cc1C[NH+]1CCOCC1 ZINC001217055738 1030126873 /nfs/dbraw/zinc/12/68/73/1030126873.db2.gz YMDKLSGAIORSMH-UHFFFAOYSA-N 1 2 389.814 3.734 20 10 GHCDLO COc1c(C)cc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)cc1C ZINC001217056191 1030128494 /nfs/dbraw/zinc/12/84/94/1030128494.db2.gz FZBXKDSGHIZVQM-UHFFFAOYSA-N 1 2 395.459 3.567 20 10 GHCDLO Cc1c(F)cc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)cc1F ZINC001217055999 1030129056 /nfs/dbraw/zinc/12/90/56/1030129056.db2.gz DKBSZUNJYXDNEP-UHFFFAOYSA-N 1 2 387.386 3.528 20 10 GHCDLO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001218021274 1030727229 /nfs/dbraw/zinc/72/72/29/1030727229.db2.gz ASXDBDPMUBSYFG-DYVFJYSZSA-N 1 2 381.428 3.638 20 10 GHCDLO O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O[C@@H]3CCC[C@@]34CC[NH2+]C4)c12 ZINC001218097807 1030769670 /nfs/dbraw/zinc/76/96/70/1030769670.db2.gz XZTTXNVVQVZNPX-XXBNENTESA-N 1 2 393.439 3.782 20 10 GHCDLO COc1ccc(-c2cc(C[NH+]3CCN(c4ccc(OC)cc4C)CC3)no2)cc1 ZINC001206830886 1034012846 /nfs/dbraw/zinc/01/28/46/1034012846.db2.gz JHJQDGUYBUDBKC-UHFFFAOYSA-N 1 2 393.487 3.989 20 10 GHCDLO Fc1cccnc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001207036888 1034062524 /nfs/dbraw/zinc/06/25/24/1034062524.db2.gz GOKJPFBIQXRMFN-UHFFFAOYSA-N 1 2 378.451 3.517 20 10 GHCDLO Cc1cc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)nc(C2CC2)[nH+]1 ZINC001158871928 1034314092 /nfs/dbraw/zinc/31/40/92/1034314092.db2.gz SFWKVJCCUZOPTB-UHFFFAOYSA-N 1 2 378.398 3.888 20 10 GHCDLO COc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]32)c(O)cc1O ZINC001231639973 1034796385 /nfs/dbraw/zinc/79/63/85/1034796385.db2.gz NROUNVXKNMKQBC-OAHLLOKOSA-N 1 2 390.480 3.596 20 10 GHCDLO COc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]32)c(O)cc1O ZINC001231639973 1034796395 /nfs/dbraw/zinc/79/63/95/1034796395.db2.gz NROUNVXKNMKQBC-OAHLLOKOSA-N 1 2 390.480 3.596 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2Cc3nn(C)cc3[C@H](COCC3CC3)C2)cc1Cl ZINC001231868940 1034956556 /nfs/dbraw/zinc/95/65/56/1034956556.db2.gz ZPVRVNIFXCVVPC-INIZCTEOSA-N 1 2 375.900 3.614 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2Cc3nn(C)cc3[C@H](COCC3CC3)C2)cc1Cl ZINC001231868940 1034956561 /nfs/dbraw/zinc/95/65/61/1034956561.db2.gz ZPVRVNIFXCVVPC-INIZCTEOSA-N 1 2 375.900 3.614 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001231912227 1034987054 /nfs/dbraw/zinc/98/70/54/1034987054.db2.gz XTDFODSDKRJJGJ-UHFFFAOYSA-N 1 2 380.879 3.858 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001231912227 1034987057 /nfs/dbraw/zinc/98/70/57/1034987057.db2.gz XTDFODSDKRJJGJ-UHFFFAOYSA-N 1 2 380.879 3.858 20 10 GHCDLO COCC[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231912840 1034987207 /nfs/dbraw/zinc/98/72/07/1034987207.db2.gz BBKQILVNEONDFP-OAHLLOKOSA-N 1 2 384.904 3.503 20 10 GHCDLO COCC[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231912840 1034987210 /nfs/dbraw/zinc/98/72/10/1034987210.db2.gz BBKQILVNEONDFP-OAHLLOKOSA-N 1 2 384.904 3.503 20 10 GHCDLO CCC[N@@H+](Cc1ccc(OC)c(I)c1O)CC(C)C ZINC001248498450 1035916285 /nfs/dbraw/zinc/91/62/85/1035916285.db2.gz ACRBJWFDYVOJCR-UHFFFAOYSA-N 1 2 377.266 3.873 20 10 GHCDLO CCC[N@H+](Cc1ccc(OC)c(I)c1O)CC(C)C ZINC001248498450 1035916287 /nfs/dbraw/zinc/91/62/87/1035916287.db2.gz ACRBJWFDYVOJCR-UHFFFAOYSA-N 1 2 377.266 3.873 20 10 GHCDLO Oc1cc(I)ccc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC001232980301 1038748453 /nfs/dbraw/zinc/74/84/53/1038748453.db2.gz PJLVPBCMFAVAJV-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cc(I)ccc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC001232980301 1038748457 /nfs/dbraw/zinc/74/84/57/1038748457.db2.gz PJLVPBCMFAVAJV-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C[C@H]1C ZINC001233033441 1038788047 /nfs/dbraw/zinc/78/80/47/1038788047.db2.gz OBCCAEFYLPIDNN-VXGBXAGGSA-N 1 2 388.277 3.705 20 10 GHCDLO CCOC(=O)C[C@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C[C@H]1C ZINC001233033441 1038788053 /nfs/dbraw/zinc/78/80/53/1038788053.db2.gz OBCCAEFYLPIDNN-VXGBXAGGSA-N 1 2 388.277 3.705 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3ccn(C(=O)OC(C)(C)C)c3)CC2)cc1 ZINC001233433974 1039309534 /nfs/dbraw/zinc/30/95/34/1039309534.db2.gz XNMQZLLICHPYES-UHFFFAOYSA-N 1 2 385.508 3.992 20 10 GHCDLO O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454374 1039343008 /nfs/dbraw/zinc/34/30/08/1039343008.db2.gz SJKHGEKTQVDEKH-UHFFFAOYSA-N 1 2 382.357 3.508 20 10 GHCDLO CCC[N@H+](Cc1cc(Br)cc(F)c1O)C1CCN(C(C)=O)CC1 ZINC001235067602 1040558233 /nfs/dbraw/zinc/55/82/33/1040558233.db2.gz WZOGRGCQOGLAKL-UHFFFAOYSA-N 1 2 387.293 3.517 20 10 GHCDLO CCC[N@@H+](Cc1cc(Br)cc(F)c1O)C1CCN(C(C)=O)CC1 ZINC001235067602 1040558249 /nfs/dbraw/zinc/55/82/49/1040558249.db2.gz WZOGRGCQOGLAKL-UHFFFAOYSA-N 1 2 387.293 3.517 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235301395 1040776445 /nfs/dbraw/zinc/77/64/45/1040776445.db2.gz GYTBBIGIIAGWTL-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235301395 1040776466 /nfs/dbraw/zinc/77/64/66/1040776466.db2.gz GYTBBIGIIAGWTL-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO COc1cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c(O)cc1Br ZINC001236755196 1041874206 /nfs/dbraw/zinc/87/42/06/1041874206.db2.gz ZSOKSIDBYHOUJD-UHFFFAOYSA-N 1 2 396.203 3.507 20 10 GHCDLO COc1cc(O)c(C[NH+]2CC(Oc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001236757065 1041875085 /nfs/dbraw/zinc/87/50/85/1041875085.db2.gz XNZWVNFXLDWRKX-UHFFFAOYSA-N 1 2 383.366 3.691 20 10 GHCDLO Cc1cccc(C)c1N1CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236764758 1041879123 /nfs/dbraw/zinc/87/91/23/1041879123.db2.gz KOWQUQOSBPUVJS-UHFFFAOYSA-N 1 2 391.309 3.799 20 10 GHCDLO NC(=O)c1ccc(OC2CC[NH+](Cc3cc(Cl)c(Cl)cc3O)CC2)cc1 ZINC001236799843 1041903221 /nfs/dbraw/zinc/90/32/21/1041903221.db2.gz QLRLYTKWHCENOR-UHFFFAOYSA-N 1 2 395.286 3.841 20 10 GHCDLO COc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801620 1041904230 /nfs/dbraw/zinc/90/42/30/1041904230.db2.gz KRPNADYGKRYYQT-CQSZACIVSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801620 1041904233 /nfs/dbraw/zinc/90/42/33/1041904233.db2.gz KRPNADYGKRYYQT-CQSZACIVSA-N 1 2 384.904 3.886 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)cc1 ZINC001236806516 1041907251 /nfs/dbraw/zinc/90/72/51/1041907251.db2.gz AVUVHVPQYSFPLM-UHFFFAOYSA-N 1 2 376.884 3.775 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278025038 1041945960 /nfs/dbraw/zinc/94/59/60/1041945960.db2.gz LLCYPMOFWGENDC-FQEVSTJZSA-N 1 2 380.891 3.942 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278025038 1041945964 /nfs/dbraw/zinc/94/59/64/1041945964.db2.gz LLCYPMOFWGENDC-FQEVSTJZSA-N 1 2 380.891 3.942 20 10 GHCDLO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278043678 1041998507 /nfs/dbraw/zinc/99/85/07/1041998507.db2.gz MWXUWWGQRBFNBJ-SGTLLEGYSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278043678 1041998509 /nfs/dbraw/zinc/99/85/09/1041998509.db2.gz MWXUWWGQRBFNBJ-SGTLLEGYSA-N 1 2 399.304 3.517 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(C(C)C)cc2O)Cc2nnn(CC3CC3)c21 ZINC001237051470 1042010502 /nfs/dbraw/zinc/01/05/02/1042010502.db2.gz KXWCACQHSYNONH-LJQANCHMSA-N 1 2 384.524 3.653 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C(C)C)cc2O)Cc2nnn(CC3CC3)c21 ZINC001237051470 1042010506 /nfs/dbraw/zinc/01/05/06/1042010506.db2.gz KXWCACQHSYNONH-LJQANCHMSA-N 1 2 384.524 3.653 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1CN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001237120162 1042048228 /nfs/dbraw/zinc/04/82/28/1042048228.db2.gz NHTABSSGRREKGP-UHFFFAOYSA-N 1 2 384.373 3.748 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC001237120162 1042048236 /nfs/dbraw/zinc/04/82/36/1042048236.db2.gz NHTABSSGRREKGP-UHFFFAOYSA-N 1 2 384.373 3.748 20 10 GHCDLO COc1cccc(C(=O)NC2CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)c1 ZINC001237127443 1042054273 /nfs/dbraw/zinc/05/42/73/1042054273.db2.gz FXKGNXUCGVRWKH-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO COc1ccc(CN2CC[NH+](Cc3cc(C(F)(F)F)ccc3O)CC2)cc1 ZINC001237139350 1042060369 /nfs/dbraw/zinc/06/03/69/1042060369.db2.gz LKWNULOPCQBECQ-UHFFFAOYSA-N 1 2 380.410 3.737 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001237618764 1042285011 /nfs/dbraw/zinc/28/50/11/1042285011.db2.gz KQVOQZWGROURPY-UHFFFAOYSA-N 1 2 390.890 3.857 20 10 GHCDLO CC[C@H]1[N@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@]12CCC(=O)N2CCOC ZINC001237618759 1042285359 /nfs/dbraw/zinc/28/53/59/1042285359.db2.gz KPBJXRQIBDEEPU-XLIONFOSSA-N 1 2 398.906 3.567 20 10 GHCDLO CC[C@H]1[N@@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@]12CCC(=O)N2CCOC ZINC001237618759 1042285361 /nfs/dbraw/zinc/28/53/61/1042285361.db2.gz KPBJXRQIBDEEPU-XLIONFOSSA-N 1 2 398.906 3.567 20 10 GHCDLO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cc(Cl)cc(F)c2O)CC3)cn1 ZINC001237620885 1042287447 /nfs/dbraw/zinc/28/74/47/1042287447.db2.gz YROZSCFLJIASEK-UHFFFAOYSA-N 1 2 392.906 3.549 20 10 GHCDLO Cn1cc(C[N@H+]2CCCC23CCN(Cc2cc(Cl)cc(F)c2O)CC3)cn1 ZINC001237620885 1042287450 /nfs/dbraw/zinc/28/74/50/1042287450.db2.gz YROZSCFLJIASEK-UHFFFAOYSA-N 1 2 392.906 3.549 20 10 GHCDLO COc1cccc2c1C[N@H+](Cc1cccc(I)c1O)CC2 ZINC001237775043 1042363259 /nfs/dbraw/zinc/36/32/59/1042363259.db2.gz BQATWSRLKKGXOP-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO COc1cccc2c1C[N@@H+](Cc1cccc(I)c1O)CC2 ZINC001237775043 1042363262 /nfs/dbraw/zinc/36/32/62/1042363262.db2.gz BQATWSRLKKGXOP-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO C[C@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@H]1O ZINC001237784068 1042367020 /nfs/dbraw/zinc/36/70/20/1042367020.db2.gz PEUTYPBTNFUGOV-TVQRCGJNSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@H]1O ZINC001237784068 1042367024 /nfs/dbraw/zinc/36/70/24/1042367024.db2.gz PEUTYPBTNFUGOV-TVQRCGJNSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@]1(C)O ZINC001237784917 1042368183 /nfs/dbraw/zinc/36/81/83/1042368183.db2.gz ZIRDZYOHGKHYJH-LKFCYVNXSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@]1(C)O ZINC001237784917 1042368187 /nfs/dbraw/zinc/36/81/87/1042368187.db2.gz ZIRDZYOHGKHYJH-LKFCYVNXSA-N 1 2 382.220 3.766 20 10 GHCDLO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237792096 1042372881 /nfs/dbraw/zinc/37/28/81/1042372881.db2.gz OLTKUITZCLZXIV-GFCCVEGCSA-N 1 2 382.220 3.909 20 10 GHCDLO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237792096 1042372883 /nfs/dbraw/zinc/37/28/83/1042372883.db2.gz OLTKUITZCLZXIV-GFCCVEGCSA-N 1 2 382.220 3.909 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237800312 1042376293 /nfs/dbraw/zinc/37/62/93/1042376293.db2.gz NKNJXZOJXPROMX-SFHVURJKSA-N 1 2 380.872 3.875 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@]12CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237800312 1042376296 /nfs/dbraw/zinc/37/62/96/1042376296.db2.gz NKNJXZOJXPROMX-SFHVURJKSA-N 1 2 380.872 3.875 20 10 GHCDLO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1 ZINC001237801767 1042377758 /nfs/dbraw/zinc/37/77/58/1042377758.db2.gz WBUOLDZNWZCDIY-LBPRGKRZSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1 ZINC001237801767 1042377767 /nfs/dbraw/zinc/37/77/67/1042377767.db2.gz WBUOLDZNWZCDIY-LBPRGKRZSA-N 1 2 384.879 3.874 20 10 GHCDLO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237807924 1042379781 /nfs/dbraw/zinc/37/97/81/1042379781.db2.gz OFNMGADQNQWLOZ-UHFFFAOYSA-N 1 2 377.843 3.849 20 10 GHCDLO CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237807924 1042379786 /nfs/dbraw/zinc/37/97/86/1042379786.db2.gz OFNMGADQNQWLOZ-UHFFFAOYSA-N 1 2 377.843 3.849 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001237811803 1042381592 /nfs/dbraw/zinc/38/15/92/1042381592.db2.gz CKAVVVTXSMLDKR-LIRRHRJNSA-N 1 2 396.821 3.531 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001237811803 1042381596 /nfs/dbraw/zinc/38/15/96/1042381596.db2.gz CKAVVVTXSMLDKR-LIRRHRJNSA-N 1 2 396.821 3.531 20 10 GHCDLO Cn1ccc(CN2CCCC23CC[NH+](Cc2cc(F)c(Cl)cc2O)CC3)n1 ZINC001237936081 1042427205 /nfs/dbraw/zinc/42/72/05/1042427205.db2.gz GJMYMUFVHIRPTA-UHFFFAOYSA-N 1 2 392.906 3.549 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1)c1ccccc1F ZINC001237939330 1042429337 /nfs/dbraw/zinc/42/93/37/1042429337.db2.gz AUFMFIQYGYWDGV-CYBMUJFWSA-N 1 2 380.822 3.718 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1)c1ccccc1F ZINC001237939330 1042429340 /nfs/dbraw/zinc/42/93/40/1042429340.db2.gz AUFMFIQYGYWDGV-CYBMUJFWSA-N 1 2 380.822 3.718 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001261794734 1046097835 /nfs/dbraw/zinc/09/78/35/1046097835.db2.gz ZHNAMAZVMKKVDL-QGZVFWFLSA-N 1 2 376.460 3.650 20 10 GHCDLO O=C(Cc1ccsc1)N1CC2(C1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001279443122 1047809369 /nfs/dbraw/zinc/80/93/69/1047809369.db2.gz XWEDMJOFQABNHA-UHFFFAOYSA-N 1 2 390.936 3.774 20 10 GHCDLO Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001279487439 1047823328 /nfs/dbraw/zinc/82/33/28/1047823328.db2.gz BPLQCJQXAORJBT-UHFFFAOYSA-N 1 2 379.476 3.533 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1ncccc1Br)C[C@@H]1CCCO1 ZINC001307565992 1049406201 /nfs/dbraw/zinc/40/62/01/1049406201.db2.gz FOQIYHQVONNOSF-HNNXBMFYSA-N 1 2 377.282 3.731 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1ncccc1Br)C[C@@H]1CCCO1 ZINC001307565992 1049406208 /nfs/dbraw/zinc/40/62/08/1049406208.db2.gz FOQIYHQVONNOSF-HNNXBMFYSA-N 1 2 377.282 3.731 20 10 GHCDLO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001308904276 1050152561 /nfs/dbraw/zinc/15/25/61/1050152561.db2.gz ROZLMIZDAAEYIW-UHFFFAOYSA-N 1 2 394.357 3.540 20 10 GHCDLO CC1(C)CC(=O)NCC[N@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001308904276 1050152562 /nfs/dbraw/zinc/15/25/62/1050152562.db2.gz ROZLMIZDAAEYIW-UHFFFAOYSA-N 1 2 394.357 3.540 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC001335866151 1052193841 /nfs/dbraw/zinc/19/38/41/1052193841.db2.gz IKXWDMJPVSZZDS-IBGZPJMESA-N 1 2 381.520 3.851 20 10 GHCDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c1Cl ZINC001459748635 1064199093 /nfs/dbraw/zinc/19/90/93/1064199093.db2.gz PUVVVSKPXUDGIV-UHFFFAOYSA-N 1 2 392.858 3.597 20 10 GHCDLO CCNc1cc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc[nH+]1 ZINC001477823531 1078580486 /nfs/dbraw/zinc/58/04/86/1078580486.db2.gz XQAAHQVXPPYOLI-UHFFFAOYSA-N 1 2 381.524 3.749 20 10 GHCDLO CCOC(=O)C1(CC(F)F)CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC001460936474 1069285196 /nfs/dbraw/zinc/28/51/96/1069285196.db2.gz NLEXYMPIDSILJI-UHFFFAOYSA-N 1 2 387.398 3.534 20 10 GHCDLO CCOC(=O)C[N@H+](CCCOc1cccc(Cl)c1)Cc1ccccc1O ZINC001473572155 1074022830 /nfs/dbraw/zinc/02/28/30/1074022830.db2.gz BBUGKDNPRMFELT-UHFFFAOYSA-N 1 2 377.868 3.880 20 10 GHCDLO CCOC(=O)C[N@@H+](CCCOc1cccc(Cl)c1)Cc1ccccc1O ZINC001473572155 1074022843 /nfs/dbraw/zinc/02/28/43/1074022843.db2.gz BBUGKDNPRMFELT-UHFFFAOYSA-N 1 2 377.868 3.880 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)c1O ZINC001474417531 1074397036 /nfs/dbraw/zinc/39/70/36/1074397036.db2.gz GCMFZLRZPUGQLU-UHFFFAOYSA-N 1 2 395.263 3.922 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)c1O ZINC001474417531 1074397043 /nfs/dbraw/zinc/39/70/43/1074397043.db2.gz GCMFZLRZPUGQLU-UHFFFAOYSA-N 1 2 395.263 3.922 20 10 GHCDLO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(Br)c2O)c1 ZINC001560441033 1126210660 /nfs/dbraw/zinc/21/06/60/1126210660.db2.gz OBWZLGSNNBGZPZ-OAHLLOKOSA-N 1 2 384.701 3.810 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccccc2N2CCOCC2)c1O ZINC000176992235 835435952 /nfs/dbraw/zinc/43/59/52/835435952.db2.gz WGGQSSLNTXZRAD-UHFFFAOYSA-N 1 2 388.895 3.717 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1O ZINC000176992235 835435956 /nfs/dbraw/zinc/43/59/56/835435956.db2.gz WGGQSSLNTXZRAD-UHFFFAOYSA-N 1 2 388.895 3.717 20 10 GHCDLO O=C(c1ccco1)N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182940848 839187852 /nfs/dbraw/zinc/18/78/52/839187852.db2.gz MNWZNBHYXQNKOZ-UHFFFAOYSA-N 1 2 392.455 3.522 20 10 GHCDLO Cc1cc(C(=O)[C@H](C)N2CC[NH+](C)CC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000123053733 841343039 /nfs/dbraw/zinc/34/30/39/841343039.db2.gz LDIDMAOJNJPKLY-INIZCTEOSA-N 1 2 391.462 3.514 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000731403647 861613032 /nfs/dbraw/zinc/61/30/32/861613032.db2.gz QXKADTMKIRMGJV-UHFFFAOYSA-N 1 2 395.482 3.857 20 10 GHCDLO O=C(NCc1ccc(N2CCCC2)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048966845 853604398 /nfs/dbraw/zinc/60/43/98/853604398.db2.gz SUSULLWZMNTUEO-UHFFFAOYSA-N 1 2 389.503 3.531 20 10 GHCDLO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1cccc(Br)c1O)C2 ZINC000701918619 856744818 /nfs/dbraw/zinc/74/48/18/856744818.db2.gz HJISNWLENIHQCD-UHFFFAOYSA-N 1 2 397.313 3.644 20 10 GHCDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792787837 881665576 /nfs/dbraw/zinc/66/55/76/881665576.db2.gz IHMVIEGFDTYWKG-UHFFFAOYSA-N 1 2 396.457 3.694 20 10 GHCDLO C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000301893402 865591561 /nfs/dbraw/zinc/59/15/61/865591561.db2.gz OXWHQULFOBWJET-OAHLLOKOSA-N 1 2 380.496 3.591 20 10 GHCDLO Cc1cc(C(=O)N2CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)CC2)c(C)o1 ZINC000064028252 865808421 /nfs/dbraw/zinc/80/84/21/865808421.db2.gz LRVQYEOLVSNOTP-UHFFFAOYSA-N 1 2 386.492 3.563 20 10 GHCDLO O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000742170158 867096643 /nfs/dbraw/zinc/09/66/43/867096643.db2.gz IOXJGGIGAPQHDK-SFHVURJKSA-N 1 2 394.515 3.637 20 10 GHCDLO O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000742170158 867096661 /nfs/dbraw/zinc/09/66/61/867096661.db2.gz IOXJGGIGAPQHDK-SFHVURJKSA-N 1 2 394.515 3.637 20 10 GHCDLO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc2)C1=O ZINC000793607112 882316903 /nfs/dbraw/zinc/31/69/03/882316903.db2.gz ORPLPGFCGPGZFE-NRFANRHFSA-N 1 2 399.878 3.560 20 10 GHCDLO CCN1C(=O)/C(=C/c2c[nH+]c3c(C)cc(Br)cn23)SC1=S ZINC000783697833 882502446 /nfs/dbraw/zinc/50/24/46/882502446.db2.gz RUGVFTCZPRNQIB-WZUFQYTHSA-N 1 2 382.308 3.626 20 10 GHCDLO CCC[N@H+](Cc1cc(Br)cc(Br)c1O)CC(C)(C)O ZINC000775677857 872807494 /nfs/dbraw/zinc/80/74/94/872807494.db2.gz ULMCYIKXIJECOH-UHFFFAOYSA-N 1 2 395.135 3.900 20 10 GHCDLO CCC[N@@H+](Cc1cc(Br)cc(Br)c1O)CC(C)(C)O ZINC000775677857 872807510 /nfs/dbraw/zinc/80/75/10/872807510.db2.gz ULMCYIKXIJECOH-UHFFFAOYSA-N 1 2 395.135 3.900 20 10 GHCDLO Cc1cc(C(=O)CN2CC[NH+](CCOC(C)C)CC2)c(C)n1-c1ccc(C)cc1 ZINC000746496075 873137717 /nfs/dbraw/zinc/13/77/17/873137717.db2.gz TXHYIIFPFHOSBI-UHFFFAOYSA-N 1 2 397.563 3.628 20 10 GHCDLO O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CN1Cc1ccccc1C(F)(F)F ZINC000768530555 873364055 /nfs/dbraw/zinc/36/40/55/873364055.db2.gz KNSPRFSSCUCDPL-AWEZNQCLSA-N 1 2 398.812 3.955 20 10 GHCDLO CC(=O)N1CC[N@H+](Cc2cccc(Br)c2O)CC12CCCCC2 ZINC000770292493 874581640 /nfs/dbraw/zinc/58/16/40/874581640.db2.gz LRVHOQXSPRSRLF-UHFFFAOYSA-N 1 2 381.314 3.522 20 10 GHCDLO CC(=O)N1CC[N@@H+](Cc2cccc(Br)c2O)CC12CCCCC2 ZINC000770292493 874581648 /nfs/dbraw/zinc/58/16/48/874581648.db2.gz LRVHOQXSPRSRLF-UHFFFAOYSA-N 1 2 381.314 3.522 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(OC)c3OC(F)F)CC2)cc1F ZINC000770307687 874589329 /nfs/dbraw/zinc/58/93/29/874589329.db2.gz UNHCYDLBIFIMCN-UHFFFAOYSA-N 1 2 396.409 3.767 20 10 GHCDLO CC(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000771060810 875015836 /nfs/dbraw/zinc/01/58/36/875015836.db2.gz ZEWQNNJBWKPSFO-HNNXBMFYSA-N 1 2 392.908 3.704 20 10 GHCDLO CC(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000771060810 875015849 /nfs/dbraw/zinc/01/58/49/875015849.db2.gz ZEWQNNJBWKPSFO-HNNXBMFYSA-N 1 2 392.908 3.704 20 10 GHCDLO O=C(NCCC[NH2+]Cc1cccc(Cl)c1O)c1ccc(Br)cc1 ZINC000776154226 875627542 /nfs/dbraw/zinc/62/75/42/875627542.db2.gz QGLJHAGCQLBUEI-UHFFFAOYSA-N 1 2 397.700 3.718 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC001201557437 875751547 /nfs/dbraw/zinc/75/15/47/875751547.db2.gz IFUBBGKGABSZIN-UHFFFAOYSA-N 1 2 392.228 3.676 20 10 GHCDLO CO[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1O)C(C)C ZINC000776219225 875904968 /nfs/dbraw/zinc/90/49/68/875904968.db2.gz DDIIMIIEQWBQQH-LBPRGKRZSA-N 1 2 381.108 3.678 20 10 GHCDLO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000850484101 876957315 /nfs/dbraw/zinc/95/73/15/876957315.db2.gz CGMYTEASXSXUIU-LLVKDONJSA-N 1 2 395.272 3.781 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)cc(F)c1O ZINC000850500313 876975282 /nfs/dbraw/zinc/97/52/82/876975282.db2.gz FSVGWMAYCYPFSH-MEBBXXQBSA-N 1 2 393.256 3.532 20 10 GHCDLO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(Br)cc(F)c1O ZINC000858452602 883108798 /nfs/dbraw/zinc/10/87/98/883108798.db2.gz MLCIIDLPTMRUGJ-SSDOTTSWSA-N 1 2 396.182 3.897 20 10 GHCDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(Br)c1O ZINC000179940922 878227674 /nfs/dbraw/zinc/22/76/74/878227674.db2.gz SFBPLPYVCLZEGP-GFCCVEGCSA-N 1 2 398.322 3.751 20 10 GHCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000789776071 879268512 /nfs/dbraw/zinc/26/85/12/879268512.db2.gz XINFPDFJHWQKFT-UHFFFAOYSA-N 1 2 382.485 3.574 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)NCCc3cn4c([nH+]3)CCCC4)c2C)cc1 ZINC000914848122 884937432 /nfs/dbraw/zinc/93/74/32/884937432.db2.gz JHPWRMWFXZLAKS-UHFFFAOYSA-N 1 2 392.503 3.608 20 10 GHCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1F ZINC000862215943 886214414 /nfs/dbraw/zinc/21/44/14/886214414.db2.gz FYVBQBICSPBAQG-UHFFFAOYSA-N 1 2 391.437 3.518 20 10 GHCDLO CN(C)c1cc(F)c(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1F ZINC000862215943 886214435 /nfs/dbraw/zinc/21/44/35/886214435.db2.gz FYVBQBICSPBAQG-UHFFFAOYSA-N 1 2 391.437 3.518 20 10 GHCDLO COCc1nc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cs1 ZINC000810253312 888355893 /nfs/dbraw/zinc/35/58/93/888355893.db2.gz QQDDDBKQGGTEBU-MRVPVSSYSA-N 1 2 375.263 3.748 20 10 GHCDLO COc1ccc(O)c(CNc2cc[nH+]c3c(Br)ccc(F)c23)c1 ZINC000811806381 889989966 /nfs/dbraw/zinc/98/99/66/889989966.db2.gz UKTPCSNZINJCTA-UHFFFAOYSA-N 1 2 377.213 3.885 20 10 GHCDLO COC(=O)N1CCN(c2ccc(N[C@H](C)c3cc(Cl)ccc3O)c[nH+]2)CC1 ZINC000815654705 894068614 /nfs/dbraw/zinc/06/86/14/894068614.db2.gz VSYQCKJAHUBTLI-CYBMUJFWSA-N 1 2 390.871 3.502 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1)c1ccc(F)cc1 ZINC000816484824 894853256 /nfs/dbraw/zinc/85/32/56/894853256.db2.gz PTGXAQWZDYIPOI-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+][C@@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000289148606 914057085 /nfs/dbraw/zinc/05/70/85/914057085.db2.gz GDNSZXFDXLJNGF-VQIMIIECSA-N 1 2 399.445 3.754 20 10 GHCDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883004704 897200151 /nfs/dbraw/zinc/20/01/51/897200151.db2.gz SFUOCIQJCYLXQT-CQSZACIVSA-N 1 2 386.673 3.640 20 10 GHCDLO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000824636229 899730286 /nfs/dbraw/zinc/73/02/86/899730286.db2.gz MRACAGXQKVWGFM-NOZJJQNGSA-N 1 2 393.119 3.510 20 10 GHCDLO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000824636229 899730295 /nfs/dbraw/zinc/73/02/95/899730295.db2.gz MRACAGXQKVWGFM-NOZJJQNGSA-N 1 2 393.119 3.510 20 10 GHCDLO COc1c(O)c(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000775001592 914447774 /nfs/dbraw/zinc/44/77/74/914447774.db2.gz BMTNDHZGYZDKHA-SFHVURJKSA-N 1 2 385.464 3.626 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886300216 900925943 /nfs/dbraw/zinc/92/59/43/900925943.db2.gz CBAUBBSGJSULSN-HNNXBMFYSA-N 1 2 384.314 3.610 20 10 GHCDLO CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000845169005 901884690 /nfs/dbraw/zinc/88/46/90/901884690.db2.gz JTNJACJRDCLQTC-UHFFFAOYSA-N 1 2 392.503 3.650 20 10 GHCDLO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778995897 902675681 /nfs/dbraw/zinc/67/56/81/902675681.db2.gz FEXOLGQDKBRYGX-UHFFFAOYSA-N 1 2 383.250 3.796 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCN1CCc2ccccc21 ZINC001177175988 908458233 /nfs/dbraw/zinc/45/82/33/908458233.db2.gz TXOFCLRUFOFHHM-UHFFFAOYSA-N 1 2 379.273 3.836 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001179158975 909405713 /nfs/dbraw/zinc/40/57/13/909405713.db2.gz FIPCSEPRTIDYBP-MRXNPFEDSA-N 1 2 385.266 3.833 20 10 GHCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1cc(F)ccc1F ZINC001179788756 909730422 /nfs/dbraw/zinc/73/04/22/909730422.db2.gz FDNMOJCMFGCGNZ-CQSZACIVSA-N 1 2 392.627 3.910 20 10 GHCDLO CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H](O)C(F)(F)F ZINC001181072442 910545129 /nfs/dbraw/zinc/54/51/29/910545129.db2.gz HXOMGWMUPIHTRF-JTQLQIEISA-N 1 2 376.600 3.553 20 10 GHCDLO CC[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H](O)C(F)(F)F ZINC001181072442 910545141 /nfs/dbraw/zinc/54/51/41/910545141.db2.gz HXOMGWMUPIHTRF-JTQLQIEISA-N 1 2 376.600 3.553 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(Oc3ncccc3F)CC2)c1O ZINC000773980567 911212367 /nfs/dbraw/zinc/21/23/67/911212367.db2.gz FDWSXPUEDAJLAB-UHFFFAOYSA-N 1 2 378.831 3.826 20 10 GHCDLO OC[C@H]1CCCCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC001206514286 911722754 /nfs/dbraw/zinc/72/27/54/911722754.db2.gz PZBTWFBMXQRAGY-GFCCVEGCSA-N 1 2 393.119 3.654 20 10 GHCDLO OC[C@H]1CCCCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC001206514286 911722772 /nfs/dbraw/zinc/72/27/72/911722772.db2.gz PZBTWFBMXQRAGY-GFCCVEGCSA-N 1 2 393.119 3.654 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(N(C)C)cc1 ZINC000774479794 911785736 /nfs/dbraw/zinc/78/57/36/911785736.db2.gz UMIRTVARKQOPSM-PIGZYNQJSA-N 1 2 394.288 3.531 20 10 GHCDLO OC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Cc1cc(F)c(F)c(F)c1 ZINC000775167676 915971443 /nfs/dbraw/zinc/97/14/43/915971443.db2.gz KTQQVZFGVDCJIQ-JTQLQIEISA-N 1 2 377.765 3.543 20 10 GHCDLO CN(C)c1ccc(CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C2CC2)cc1 ZINC000298889346 921032297 /nfs/dbraw/zinc/03/22/97/921032297.db2.gz PLWOCCXOGVCBEP-UHFFFAOYSA-N 1 2 393.535 3.622 20 10 GHCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@@](C)(C2CCCC2)C1=O ZINC000802724849 922360801 /nfs/dbraw/zinc/36/08/01/922360801.db2.gz WQJPHERUAWFWCC-QHCPKHFHSA-N 1 2 398.551 3.567 20 10 GHCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@@](C)(C2CCCC2)C1=O ZINC000802724849 922360816 /nfs/dbraw/zinc/36/08/16/922360816.db2.gz WQJPHERUAWFWCC-QHCPKHFHSA-N 1 2 398.551 3.567 20 10 GHCDLO O=C1NCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H]1c1ccccc1 ZINC000748795449 923833874 /nfs/dbraw/zinc/83/38/74/923833874.db2.gz QACZURAZANWGSL-JOCHJYFZSA-N 1 2 376.456 3.690 20 10 GHCDLO O=C1NCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H]1c1ccccc1 ZINC000748795449 923833883 /nfs/dbraw/zinc/83/38/83/923833883.db2.gz QACZURAZANWGSL-JOCHJYFZSA-N 1 2 376.456 3.690 20 10 GHCDLO Cc1c(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)nc2ccccn12 ZINC001137276985 924182182 /nfs/dbraw/zinc/18/21/82/924182182.db2.gz GQJAWGQZCKRQAU-UHFFFAOYSA-N 1 2 390.409 3.864 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000827134031 924886606 /nfs/dbraw/zinc/88/66/06/924886606.db2.gz ZVUUFEDNBXNJFR-NSHDSACASA-N 1 2 391.103 3.718 20 10 GHCDLO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)s1 ZINC000827941463 926346984 /nfs/dbraw/zinc/34/69/84/926346984.db2.gz FBZJCFYGYOQMGC-SNVBAGLBSA-N 1 2 384.860 3.807 20 10 GHCDLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)s1 ZINC000827941463 926346991 /nfs/dbraw/zinc/34/69/91/926346991.db2.gz FBZJCFYGYOQMGC-SNVBAGLBSA-N 1 2 384.860 3.807 20 10 GHCDLO C[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1cc(Br)c(F)cc1O ZINC000927122981 932421758 /nfs/dbraw/zinc/42/17/58/932421758.db2.gz YPNOVIUSEGOKIJ-QMMMGPOBSA-N 1 2 387.274 3.674 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000798959555 932840678 /nfs/dbraw/zinc/84/06/78/932840678.db2.gz BVUOAFJYKMYQEP-HNNXBMFYSA-N 1 2 380.286 3.624 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000798959555 932840684 /nfs/dbraw/zinc/84/06/84/932840684.db2.gz BVUOAFJYKMYQEP-HNNXBMFYSA-N 1 2 380.286 3.624 20 10 GHCDLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(N(C)C)cc1 ZINC000799975815 933197800 /nfs/dbraw/zinc/19/78/00/933197800.db2.gz QUWUXJMMYBOAJR-MJGOQNOKSA-N 1 2 395.551 3.936 20 10 GHCDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001116437094 933557524 /nfs/dbraw/zinc/55/75/24/933557524.db2.gz HHHGKBZHVSCGNN-UHFFFAOYSA-N 1 2 393.531 3.644 20 10 GHCDLO CC[N@H+](Cc1c(Cl)nc(OC)n1C)Cc1cc(Br)ccc1O ZINC001116445911 933563219 /nfs/dbraw/zinc/56/32/19/933563219.db2.gz VOIKLFDNCLSCLB-UHFFFAOYSA-N 1 2 388.693 3.572 20 10 GHCDLO CC[N@@H+](Cc1c(Cl)nc(OC)n1C)Cc1cc(Br)ccc1O ZINC001116445911 933563228 /nfs/dbraw/zinc/56/32/28/933563228.db2.gz VOIKLFDNCLSCLB-UHFFFAOYSA-N 1 2 388.693 3.572 20 10 GHCDLO Fc1ccc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)cn1 ZINC001137744114 935763654 /nfs/dbraw/zinc/76/36/54/935763654.db2.gz PFZGIGAWRCJMQR-UHFFFAOYSA-N 1 2 378.451 3.517 20 10 GHCDLO CC[NH+](CC)C[C@H](C)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227030046 1032244264 /nfs/dbraw/zinc/24/42/64/1032244264.db2.gz XNHJFRCZMLLJNQ-ZDUSSCGKSA-N 1 2 399.443 3.686 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277232659 1032520720 /nfs/dbraw/zinc/52/07/20/1032520720.db2.gz WPFPKPQFDPQPQC-MRXNPFEDSA-N 1 2 376.806 3.565 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277232659 1032520726 /nfs/dbraw/zinc/52/07/26/1032520726.db2.gz WPFPKPQFDPQPQC-MRXNPFEDSA-N 1 2 376.806 3.565 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Br)cc(Br)c1O ZINC000834906305 1021663286 /nfs/dbraw/zinc/66/32/86/1021663286.db2.gz OOZWRESEQDDBMY-OQPBUACISA-N 1 2 393.119 3.729 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3c(Cl)cccc3OC)CC2)cc1 ZINC001140730657 1022382489 /nfs/dbraw/zinc/38/24/89/1022382489.db2.gz VNJPTJJKEFGHOM-UHFFFAOYSA-N 1 2 390.911 3.696 20 10 GHCDLO Cc1nc(NCc2cccc(C(=O)NCCCSc3nccs3)c2)cc[nH+]1 ZINC000755318739 1023190736 /nfs/dbraw/zinc/19/07/36/1023190736.db2.gz XPSIZGJFTBMKNK-UHFFFAOYSA-N 1 2 399.545 3.766 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCc3ccc(Br)cc3C2)c(OC)c1 ZINC001141028575 1023277590 /nfs/dbraw/zinc/27/75/90/1023277590.db2.gz VLVLFEKKZITOHV-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCc3ccc(Br)cc3C2)c(OC)c1 ZINC001141028575 1023277597 /nfs/dbraw/zinc/27/75/97/1023277597.db2.gz VLVLFEKKZITOHV-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO CSCC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1nnc2ccccn21 ZINC000756364955 1023608142 /nfs/dbraw/zinc/60/81/42/1023608142.db2.gz MFGBZXYEGGXICO-IAQYHMDHSA-N 1 2 378.448 3.858 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1O ZINC000756433716 1023646869 /nfs/dbraw/zinc/64/68/69/1023646869.db2.gz XZHXDCBDYHDGPT-NXEZZACHSA-N 1 2 399.226 3.829 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)c(F)cc1O ZINC000756582069 1023720896 /nfs/dbraw/zinc/72/08/96/1023720896.db2.gz FMCAXODUIHTPAH-SRVKXCTJSA-N 1 2 387.293 3.591 20 10 GHCDLO C[C@@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)c(F)cc1O ZINC000756733404 1023792426 /nfs/dbraw/zinc/79/24/26/1023792426.db2.gz OUQIECLSQMZCQI-LLVKDONJSA-N 1 2 376.266 3.530 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2cccc(F)c2O)C1 ZINC001138128462 1024177323 /nfs/dbraw/zinc/17/73/23/1024177323.db2.gz LOFWDWDSGOQAHD-OLZOCXBDSA-N 1 2 392.393 3.809 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138128462 1024177330 /nfs/dbraw/zinc/17/73/30/1024177330.db2.gz LOFWDWDSGOQAHD-OLZOCXBDSA-N 1 2 392.393 3.809 20 10 GHCDLO Cn1cc2c(n1)C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C[C@H]2COCC1CC1 ZINC001138216595 1024386165 /nfs/dbraw/zinc/38/61/65/1024386165.db2.gz CSGKAUZUCNSNFI-NRFANRHFSA-N 1 2 394.563 3.936 20 10 GHCDLO Cn1cc2c(n1)C[N@H+](Cc1ccc(N3CCCCC3)cc1)C[C@H]2COCC1CC1 ZINC001138216595 1024386186 /nfs/dbraw/zinc/38/61/86/1024386186.db2.gz CSGKAUZUCNSNFI-NRFANRHFSA-N 1 2 394.563 3.936 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c(OC)c1 ZINC001138392140 1024769178 /nfs/dbraw/zinc/76/91/78/1024769178.db2.gz ROCMXCLLXQSIJS-LJQANCHMSA-N 1 2 395.547 3.888 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c(OC)c1 ZINC001138392140 1024769191 /nfs/dbraw/zinc/76/91/91/1024769191.db2.gz ROCMXCLLXQSIJS-LJQANCHMSA-N 1 2 395.547 3.888 20 10 GHCDLO Cc1cnc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)s1 ZINC001139814553 1026637856 /nfs/dbraw/zinc/63/78/56/1026637856.db2.gz HKSAJVCLBRTWCY-UHFFFAOYSA-N 1 2 380.517 3.748 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc(NC(N)=O)cc1 ZINC001461197207 1069436846 /nfs/dbraw/zinc/43/68/46/1069436846.db2.gz UEFXDWSOGFMQMC-VIFPVBQESA-N 1 2 382.233 3.635 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)ccc1O ZINC001203639940 1027499219 /nfs/dbraw/zinc/49/92/19/1027499219.db2.gz NRIBWBMIHHWERM-GASCZTMLSA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)ccc1O ZINC001203639940 1027499229 /nfs/dbraw/zinc/49/92/29/1027499229.db2.gz NRIBWBMIHHWERM-GASCZTMLSA-N 1 2 397.313 3.738 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)Cc2c1cnn2CC ZINC001203640331 1027499386 /nfs/dbraw/zinc/49/93/86/1027499386.db2.gz XAVPQAJXJRBNHC-CQSZACIVSA-N 1 2 394.313 3.507 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)Cc2c1cnn2CC ZINC001203640331 1027499392 /nfs/dbraw/zinc/49/93/92/1027499392.db2.gz XAVPQAJXJRBNHC-CQSZACIVSA-N 1 2 394.313 3.507 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001203656504 1027512598 /nfs/dbraw/zinc/51/25/98/1027512598.db2.gz QFFPFQRSUCFYIN-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001203656504 1027512603 /nfs/dbraw/zinc/51/26/03/1027512603.db2.gz QFFPFQRSUCFYIN-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1c1ccccc1 ZINC001203881845 1027677257 /nfs/dbraw/zinc/67/72/57/1027677257.db2.gz UPDFYTLRSQODCU-SFHVURJKSA-N 1 2 384.476 3.892 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@H]1c1ccccc1 ZINC001203881845 1027677266 /nfs/dbraw/zinc/67/72/66/1027677266.db2.gz UPDFYTLRSQODCU-SFHVURJKSA-N 1 2 384.476 3.892 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c(OC)c1 ZINC001203911799 1027703177 /nfs/dbraw/zinc/70/31/77/1027703177.db2.gz QEMRFBXBBZCQSS-UHFFFAOYSA-N 1 2 391.309 3.789 20 10 GHCDLO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000840808194 1027846619 /nfs/dbraw/zinc/84/66/19/1027846619.db2.gz HOHNRIWCVMDCRB-WCQYABFASA-N 1 2 398.272 3.729 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(Br)cc(F)c1O ZINC000840879346 1027916550 /nfs/dbraw/zinc/91/65/50/1027916550.db2.gz FFVCFWSLYNRBJS-JQWIXIFHSA-N 1 2 386.236 3.860 20 10 GHCDLO COc1cc(OC)cc([C@H]([NH2+]Cc2ccc(N(C)C)cc2C)c2nccn2C)c1 ZINC000840936099 1027972058 /nfs/dbraw/zinc/97/20/58/1027972058.db2.gz GWMQQUSJBPRRCQ-QFIPXVFZSA-N 1 2 394.519 3.691 20 10 GHCDLO Cc1cc(Cl)cc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000841497869 1028697960 /nfs/dbraw/zinc/69/79/60/1028697960.db2.gz ZWMQHAQTVHYMOS-FOWTUZBSSA-N 1 2 396.965 3.572 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001142530710 1029034535 /nfs/dbraw/zinc/03/45/35/1029034535.db2.gz KWAIBEGEHLIUOR-LLVKDONJSA-N 1 2 389.324 3.523 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001142530710 1029034548 /nfs/dbraw/zinc/03/45/48/1029034548.db2.gz KWAIBEGEHLIUOR-LLVKDONJSA-N 1 2 389.324 3.523 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(OC3CCC3)CC2)c(C)n1-c1ccc(F)cn1 ZINC000842159555 1029115738 /nfs/dbraw/zinc/11/57/38/1029115738.db2.gz UMDYNEMICKGXMN-UHFFFAOYSA-N 1 2 385.483 3.844 20 10 GHCDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843428293 1029999266 /nfs/dbraw/zinc/99/92/66/1029999266.db2.gz GBEBUTLMGRTQLB-ZHRRBRCNSA-N 1 2 388.458 3.763 20 10 GHCDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843428293 1029999272 /nfs/dbraw/zinc/99/92/72/1029999272.db2.gz GBEBUTLMGRTQLB-ZHRRBRCNSA-N 1 2 388.458 3.763 20 10 GHCDLO CCn1c2ccc(C)cc2nc1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461730985 1069707699 /nfs/dbraw/zinc/70/76/99/1069707699.db2.gz OXOSYIWLWNEGJH-UHFFFAOYSA-N 1 2 381.499 3.868 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001231465424 1034610384 /nfs/dbraw/zinc/61/03/84/1034610384.db2.gz AAQPHALGBXFFIB-MOPGFXCFSA-N 1 2 399.384 3.808 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001231465424 1034610392 /nfs/dbraw/zinc/61/03/92/1034610392.db2.gz AAQPHALGBXFFIB-MOPGFXCFSA-N 1 2 399.384 3.808 20 10 GHCDLO CCOC(=O)c1cc2cc[nH+]c(NCc3cc(Br)ccc3O)c2[nH]1 ZINC001160012457 1034828298 /nfs/dbraw/zinc/82/82/98/1034828298.db2.gz OAVUHICXLXRVOI-UHFFFAOYSA-N 1 2 390.237 3.820 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(CC3CC3)c21 ZINC001231852673 1034943563 /nfs/dbraw/zinc/94/35/63/1034943563.db2.gz ZVNBUWXMAZAJKD-LJQANCHMSA-N 1 2 398.551 3.504 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(CC3CC3)c21 ZINC001231852673 1034943564 /nfs/dbraw/zinc/94/35/64/1034943564.db2.gz ZVNBUWXMAZAJKD-LJQANCHMSA-N 1 2 398.551 3.504 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231853938 1034944883 /nfs/dbraw/zinc/94/48/83/1034944883.db2.gz VBPACMHAHRWBSM-UHFFFAOYSA-N 1 2 379.504 3.820 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231853938 1034944891 /nfs/dbraw/zinc/94/48/91/1034944891.db2.gz VBPACMHAHRWBSM-UHFFFAOYSA-N 1 2 379.504 3.820 20 10 GHCDLO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]21 ZINC001231911351 1034985348 /nfs/dbraw/zinc/98/53/48/1034985348.db2.gz KTMZQLANSJXEAF-LNLFQRSKSA-N 1 2 385.895 3.587 20 10 GHCDLO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@@H]21 ZINC001231911351 1034985352 /nfs/dbraw/zinc/98/53/52/1034985352.db2.gz KTMZQLANSJXEAF-LNLFQRSKSA-N 1 2 385.895 3.587 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001233029010 1038780307 /nfs/dbraw/zinc/78/03/07/1038780307.db2.gz XVWWYTSNVUWKGE-UHFFFAOYSA-N 1 2 395.272 3.980 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(Br)cc(OC)c3)CC2)cc1 ZINC001233212892 1038973759 /nfs/dbraw/zinc/97/37/59/1038973759.db2.gz HBYFJXJIIJRJJA-UHFFFAOYSA-N 1 2 391.309 3.789 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416809 1039273765 /nfs/dbraw/zinc/27/37/65/1039273765.db2.gz XFPJKMWMDBUGSM-GJZGRUSLSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416809 1039273783 /nfs/dbraw/zinc/27/37/83/1039273783.db2.gz XFPJKMWMDBUGSM-GJZGRUSLSA-N 1 2 386.414 3.995 20 10 GHCDLO Oc1c(C[NH+]2CCN(c3cccc4c3OCCO4)CC2)cccc1C(F)(F)F ZINC001233418510 1039280268 /nfs/dbraw/zinc/28/02/68/1039280268.db2.gz KDPMXSVKUVKHFT-UHFFFAOYSA-N 1 2 394.393 3.504 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)c(Cl)cc2O)N1CC(F)(F)F ZINC001277829463 1039804701 /nfs/dbraw/zinc/80/47/01/1039804701.db2.gz DBUACDVYBHERRO-CHWSQXEVSA-N 1 2 397.224 3.827 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)c(Cl)cc2O)N1CC(F)(F)F ZINC001277829463 1039804712 /nfs/dbraw/zinc/80/47/12/1039804712.db2.gz DBUACDVYBHERRO-CHWSQXEVSA-N 1 2 397.224 3.827 20 10 GHCDLO CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833329 1039869691 /nfs/dbraw/zinc/86/96/91/1039869691.db2.gz HYWYJCYEMPBWDS-JLTOFOAXSA-N 1 2 380.916 3.810 20 10 GHCDLO CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833329 1039869715 /nfs/dbraw/zinc/86/97/15/1039869715.db2.gz HYWYJCYEMPBWDS-JLTOFOAXSA-N 1 2 380.916 3.810 20 10 GHCDLO Oc1ccc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)cc1C[NH+]1CCOCC1 ZINC001254705290 1040464371 /nfs/dbraw/zinc/46/43/71/1040464371.db2.gz DCWIYUQFXDEWLK-RBUKOAKNSA-N 1 2 377.444 3.546 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc(Br)cc(F)c2O)[C@H](c2ccccc2)C1 ZINC001235057758 1040547274 /nfs/dbraw/zinc/54/72/74/1040547274.db2.gz SJICYZYTTCRLCF-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(Br)cc(F)c2O)[C@H](c2ccccc2)C1 ZINC001235057758 1040547292 /nfs/dbraw/zinc/54/72/92/1040547292.db2.gz SJICYZYTTCRLCF-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001235066137 1040554542 /nfs/dbraw/zinc/55/45/42/1040554542.db2.gz WPAGEXBJMLYILD-UHFFFAOYSA-N 1 2 381.245 3.732 20 10 GHCDLO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235301860 1040774134 /nfs/dbraw/zinc/77/41/34/1040774134.db2.gz KLIFGQZQMUFZPR-SFHVURJKSA-N 1 2 399.304 3.517 20 10 GHCDLO CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235301860 1040774152 /nfs/dbraw/zinc/77/41/52/1040774152.db2.gz KLIFGQZQMUFZPR-SFHVURJKSA-N 1 2 399.304 3.517 20 10 GHCDLO C[N@H+](CCCC(=O)c1cccnc1)Cc1cc(F)cc(Br)c1O ZINC001235303586 1040777141 /nfs/dbraw/zinc/77/71/41/1040777141.db2.gz OMSUOQOICXYNMW-UHFFFAOYSA-N 1 2 381.245 3.784 20 10 GHCDLO C[N@@H+](CCCC(=O)c1cccnc1)Cc1cc(F)cc(Br)c1O ZINC001235303586 1040777161 /nfs/dbraw/zinc/77/71/61/1040777161.db2.gz OMSUOQOICXYNMW-UHFFFAOYSA-N 1 2 381.245 3.784 20 10 GHCDLO CCc1nc(C2CC[NH+](Cc3cc(F)cc(Br)c3O)CC2)no1 ZINC001235306626 1040781199 /nfs/dbraw/zinc/78/11/99/1040781199.db2.gz WIPVFFHOHYAXLU-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO COc1cc(C[N@@H+]2CCc3cccc(OC)c3C2)c(O)cc1Br ZINC001236744882 1041870695 /nfs/dbraw/zinc/87/06/95/1041870695.db2.gz HTYMGYKTWCWRLU-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1cc(C[N@H+]2CCc3cccc(OC)c3C2)c(O)cc1Br ZINC001236744882 1041870704 /nfs/dbraw/zinc/87/07/04/1041870704.db2.gz HTYMGYKTWCWRLU-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)c(O)c1Cl ZINC001236802082 1041903692 /nfs/dbraw/zinc/90/36/92/1041903692.db2.gz OCNFVRVIRZGPHN-CYBMUJFWSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)c(O)c1Cl ZINC001236802082 1041903694 /nfs/dbraw/zinc/90/36/94/1041903694.db2.gz OCNFVRVIRZGPHN-CYBMUJFWSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[NH+]2CCC(N3C(=O)Cc4ccccc43)CC2)c(O)c1Cl ZINC001236813140 1041912467 /nfs/dbraw/zinc/91/24/67/1041912467.db2.gz KDTBHIBMRHESLY-UHFFFAOYSA-N 1 2 386.879 3.608 20 10 GHCDLO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001237055530 1042012941 /nfs/dbraw/zinc/01/29/41/1042012941.db2.gz FIXYVWZFJRIKBR-UHFFFAOYSA-N 1 2 389.320 3.875 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1)c1ccc(F)cc1 ZINC001237126073 1042053365 /nfs/dbraw/zinc/05/33/65/1042053365.db2.gz FNFPROBBNJCTEU-CQSZACIVSA-N 1 2 380.822 3.718 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1)c1ccc(F)cc1 ZINC001237126073 1042053372 /nfs/dbraw/zinc/05/33/72/1042053372.db2.gz FNFPROBBNJCTEU-CQSZACIVSA-N 1 2 380.822 3.718 20 10 GHCDLO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127971 1042055098 /nfs/dbraw/zinc/05/50/98/1042055098.db2.gz KXPCYNUBGIMCQC-ZDUSSCGKSA-N 1 2 375.831 3.807 20 10 GHCDLO O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127971 1042055100 /nfs/dbraw/zinc/05/51/00/1042055100.db2.gz KXPCYNUBGIMCQC-ZDUSSCGKSA-N 1 2 375.831 3.807 20 10 GHCDLO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)N1 ZINC001237618590 1042285237 /nfs/dbraw/zinc/28/52/37/1042285237.db2.gz JKDTXBHRRHZGBH-KRWDZBQOSA-N 1 2 388.870 3.823 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c1O ZINC001237679895 1042320139 /nfs/dbraw/zinc/32/01/39/1042320139.db2.gz MCEUGJFVEPYUJW-INIZCTEOSA-N 1 2 377.916 3.860 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c1O ZINC001237679895 1042320144 /nfs/dbraw/zinc/32/01/44/1042320144.db2.gz MCEUGJFVEPYUJW-INIZCTEOSA-N 1 2 377.916 3.860 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC001237799374 1042376525 /nfs/dbraw/zinc/37/65/25/1042376525.db2.gz ARVXXMRORSKKOR-UHFFFAOYSA-N 1 2 388.668 3.981 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001237799277 1042376764 /nfs/dbraw/zinc/37/67/64/1042376764.db2.gz GWEUYHAEZTYSQO-UHFFFAOYSA-N 1 2 390.890 3.857 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001237799277 1042376767 /nfs/dbraw/zinc/37/67/67/1042376767.db2.gz GWEUYHAEZTYSQO-UHFFFAOYSA-N 1 2 390.890 3.857 20 10 GHCDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001264287089 1047297647 /nfs/dbraw/zinc/29/76/47/1047297647.db2.gz KDVIIYKJQALIPZ-UHFFFAOYSA-N 1 2 398.457 3.882 20 10 GHCDLO Oc1ccc(F)c(F)c1CN1CCCC2(C[NH+](CCCC(F)(F)F)C2)C1 ZINC001279491697 1047822888 /nfs/dbraw/zinc/82/28/88/1047822888.db2.gz XSBQGTAQXUZKAF-UHFFFAOYSA-N 1 2 378.385 3.911 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279491697 1047822896 /nfs/dbraw/zinc/82/28/96/1047822896.db2.gz XSBQGTAQXUZKAF-UHFFFAOYSA-N 1 2 378.385 3.911 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279491697 1047822907 /nfs/dbraw/zinc/82/29/07/1047822907.db2.gz XSBQGTAQXUZKAF-UHFFFAOYSA-N 1 2 378.385 3.911 20 10 GHCDLO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2scnc2C)c(O)c1Cl ZINC001279665921 1047906158 /nfs/dbraw/zinc/90/61/58/1047906158.db2.gz ULICCESZCWPONA-GASCZTMLSA-N 1 2 393.940 3.668 20 10 GHCDLO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2scnc2C)c(O)c1Cl ZINC001279665921 1047906160 /nfs/dbraw/zinc/90/61/60/1047906160.db2.gz ULICCESZCWPONA-GASCZTMLSA-N 1 2 393.940 3.668 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279674708 1047909561 /nfs/dbraw/zinc/90/95/61/1047909561.db2.gz MTAVNCBATQJKQJ-IBGZPJMESA-N 1 2 395.334 3.910 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279674708 1047909568 /nfs/dbraw/zinc/90/95/68/1047909568.db2.gz MTAVNCBATQJKQJ-IBGZPJMESA-N 1 2 395.334 3.910 20 10 GHCDLO CCOC(=O)c1c(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)sc(C)c1-c1ccccc1 ZINC001307650861 1049476889 /nfs/dbraw/zinc/47/68/89/1049476889.db2.gz VOABXIFWJKZKBB-CVEARBPZSA-N 1 2 384.501 3.933 20 10 GHCDLO CCOC(=O)c1c(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]32)sc(C)c1-c1ccccc1 ZINC001307650861 1049476915 /nfs/dbraw/zinc/47/69/15/1049476915.db2.gz VOABXIFWJKZKBB-CVEARBPZSA-N 1 2 384.501 3.933 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC001318314921 1054561853 /nfs/dbraw/zinc/56/18/53/1054561853.db2.gz VTKNNJSHKTWGTH-IAGOWNOFSA-N 1 2 389.927 3.587 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)n2cc[nH+]c2)cc1 ZINC001318383663 1054602123 /nfs/dbraw/zinc/60/21/23/1054602123.db2.gz UDKBEKFOSMJQIN-KRWDZBQOSA-N 1 2 378.476 3.752 20 10 GHCDLO O=C1C=CSC1c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001345200537 1054938229 /nfs/dbraw/zinc/93/82/29/1054938229.db2.gz DTKWLHJIGPNJSF-UHFFFAOYSA-N 1 2 396.520 3.598 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001463773010 1064603999 /nfs/dbraw/zinc/60/39/99/1064603999.db2.gz ADLAVDRAWAXKPP-UHFFFAOYSA-N 1 2 390.531 3.979 20 10 GHCDLO Oc1cc(Br)ccc1C[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC001474670834 1074507194 /nfs/dbraw/zinc/50/71/94/1074507194.db2.gz LRXGLLUGZAADIP-UHFFFAOYSA-N 1 2 383.236 3.755 20 10 GHCDLO COc1cc(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c(O)c(C(C)(C)C)c1 ZINC001474753291 1074545977 /nfs/dbraw/zinc/54/59/77/1074545977.db2.gz UAIBFIAKDSFOKS-UHFFFAOYSA-N 1 2 390.524 3.894 20 10 GHCDLO COc1cc(C[N@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c(O)c(C(C)(C)C)c1 ZINC001474753291 1074545987 /nfs/dbraw/zinc/54/59/87/1074545987.db2.gz UAIBFIAKDSFOKS-UHFFFAOYSA-N 1 2 390.524 3.894 20 10 GHCDLO Cn1cc(C[N@H+](C)Cc2cccc(Br)c2O)c(C(F)(F)F)n1 ZINC000180792374 837554710 /nfs/dbraw/zinc/55/47/10/837554710.db2.gz HYQHHEUKNRSGQV-UHFFFAOYSA-N 1 2 378.192 3.539 20 10 GHCDLO Cn1cc(C[N@@H+](C)Cc2cccc(Br)c2O)c(C(F)(F)F)n1 ZINC000180792374 837554717 /nfs/dbraw/zinc/55/47/17/837554717.db2.gz HYQHHEUKNRSGQV-UHFFFAOYSA-N 1 2 378.192 3.539 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000177257738 836198363 /nfs/dbraw/zinc/19/83/63/836198363.db2.gz MOPYLGAJMAWVFG-UHFFFAOYSA-N 1 2 382.888 3.737 20 10 GHCDLO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Br)cc(F)c1O ZINC000363857578 839275237 /nfs/dbraw/zinc/27/52/37/839275237.db2.gz CRMXKJPBSOLWQY-LLVKDONJSA-N 1 2 391.244 3.725 20 10 GHCDLO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756786887 842429199 /nfs/dbraw/zinc/42/91/99/842429199.db2.gz MCYWIQNULSDRGL-JTQLQIEISA-N 1 2 384.293 3.928 20 10 GHCDLO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]Cc3c(O)cccc3F)sc2C1 ZINC000896637585 861347062 /nfs/dbraw/zinc/34/70/62/861347062.db2.gz KRAKURBLXQYLIA-UHFFFAOYSA-N 1 2 393.484 3.571 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000733029957 862655337 /nfs/dbraw/zinc/65/53/37/862655337.db2.gz NLMQFDULTFHWGV-NRFANRHFSA-N 1 2 387.474 3.826 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000733029957 862655347 /nfs/dbraw/zinc/65/53/47/862655347.db2.gz NLMQFDULTFHWGV-NRFANRHFSA-N 1 2 387.474 3.826 20 10 GHCDLO CN(C)c1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000282336522 858507190 /nfs/dbraw/zinc/50/71/90/858507190.db2.gz XDQRYNZIYJQNOT-QGZVFWFLSA-N 1 2 399.514 3.514 20 10 GHCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715793078 859708670 /nfs/dbraw/zinc/70/86/70/859708670.db2.gz VHYGEEAFDGAEHP-NXEZZACHSA-N 1 2 391.281 3.685 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(Cc3cscn3)CC2)c(C(F)(F)F)c1 ZINC000792793625 881673837 /nfs/dbraw/zinc/67/38/37/881673837.db2.gz XBTVHMCZHGRGFR-UHFFFAOYSA-N 1 2 384.471 3.546 20 10 GHCDLO C[N@H+](CCS(=O)(=O)C1CCCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000856717199 881682735 /nfs/dbraw/zinc/68/27/35/881682735.db2.gz CDSZMLRSUHOXMZ-UHFFFAOYSA-N 1 2 378.582 3.856 20 10 GHCDLO C[N@@H+](CCS(=O)(=O)C1CCCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000856717199 881682752 /nfs/dbraw/zinc/68/27/52/881682752.db2.gz CDSZMLRSUHOXMZ-UHFFFAOYSA-N 1 2 378.582 3.856 20 10 GHCDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000184031858 863921257 /nfs/dbraw/zinc/92/12/57/863921257.db2.gz FVIYDUQBYLBPKN-SFHVURJKSA-N 1 2 398.576 3.937 20 10 GHCDLO CN(C)c1ccc(-c2nc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cs2)cc1 ZINC001193169528 870934009 /nfs/dbraw/zinc/93/40/09/870934009.db2.gz UETJWMBIOFVRCY-HNNXBMFYSA-N 1 2 381.505 3.619 20 10 GHCDLO C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000857874808 882603757 /nfs/dbraw/zinc/60/37/57/882603757.db2.gz RVIVKZFIVPXGJO-BTYIYWSLSA-N 1 2 399.922 3.541 20 10 GHCDLO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775669386 872583669 /nfs/dbraw/zinc/58/36/69/872583669.db2.gz XRMLCHIYDIUOIL-UHFFFAOYSA-N 1 2 378.831 3.741 20 10 GHCDLO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768817633 873601804 /nfs/dbraw/zinc/60/18/04/873601804.db2.gz RZIYBBYUQHHDNK-OAHLLOKOSA-N 1 2 398.894 3.974 20 10 GHCDLO COCC1(C[NH2+]Cc2cccc(Cl)c2O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000312334193 873758070 /nfs/dbraw/zinc/75/80/70/873758070.db2.gz FGLJQEUTOYFCLR-UHFFFAOYSA-N 1 2 398.931 3.799 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(Br)cc(F)c1O ZINC000528001534 873870020 /nfs/dbraw/zinc/87/00/20/873870020.db2.gz JZYIRQHSBJXESF-QFYYESIMSA-N 1 2 393.256 3.771 20 10 GHCDLO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000769416273 874033754 /nfs/dbraw/zinc/03/37/54/874033754.db2.gz QSQOLCHXWHMVGR-ZJUUUORDSA-N 1 2 391.281 3.858 20 10 GHCDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1OCC(=O)N(C)C ZINC001199411825 874975171 /nfs/dbraw/zinc/97/51/71/874975171.db2.gz BHOZHCMDSLWZLE-KRWDZBQOSA-N 1 2 394.874 3.893 20 10 GHCDLO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776175358 875693202 /nfs/dbraw/zinc/69/32/02/875693202.db2.gz ZJYAXZXRDLAZHO-YMTOWFKASA-N 1 2 395.135 3.804 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(N)=O)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000174920004 883026549 /nfs/dbraw/zinc/02/65/49/883026549.db2.gz KSURXOIUUOYQLQ-UHFFFAOYSA-N 1 2 396.535 3.533 20 10 GHCDLO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(Br)cc(F)c1O ZINC000850567079 877035242 /nfs/dbraw/zinc/03/52/42/877035242.db2.gz XASRVUOGPQYOQL-VIFPVBQESA-N 1 2 382.220 3.885 20 10 GHCDLO CC(C)c1cccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000853001245 878745729 /nfs/dbraw/zinc/74/57/29/878745729.db2.gz XVLIERYAZSTFBA-JXAWBTAJSA-N 1 2 390.574 3.734 20 10 GHCDLO CCOc1cccc(C[NH2+][C@@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)c1O ZINC000789582827 879081408 /nfs/dbraw/zinc/08/14/08/879081408.db2.gz ZOONGDGNJDFIAC-PXNSSMCTSA-N 1 2 383.488 3.932 20 10 GHCDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)c(O)c1 ZINC000789773260 879287798 /nfs/dbraw/zinc/28/77/98/879287798.db2.gz GCFRNSWSVZEHOU-UHFFFAOYSA-N 1 2 396.512 3.964 20 10 GHCDLO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000776809794 880490758 /nfs/dbraw/zinc/49/07/58/880490758.db2.gz VKLKZTAKFIJUPB-GXTWGEPZSA-N 1 2 385.302 3.501 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cc(Br)c(F)cc1O ZINC000858479369 883130562 /nfs/dbraw/zinc/13/05/62/883130562.db2.gz PVHFUQRVJXCVSJ-NXEZZACHSA-N 1 2 381.236 3.674 20 10 GHCDLO Cc1cc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC000858905578 883445473 /nfs/dbraw/zinc/44/54/73/883445473.db2.gz DUCXNKXMNNCSGJ-GOSISDBHSA-N 1 2 377.492 3.527 20 10 GHCDLO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1cc(Cl)cc(Cl)c1O ZINC000804891435 883456560 /nfs/dbraw/zinc/45/65/60/883456560.db2.gz BJHRHVFENSBHRM-UHFFFAOYSA-N 1 2 394.302 3.557 20 10 GHCDLO O=C(NCC[N@H+]1CCc2ccccc2C1)NCc1cc(Cl)cc(Cl)c1O ZINC000804891435 883456571 /nfs/dbraw/zinc/45/65/71/883456571.db2.gz BJHRHVFENSBHRM-UHFFFAOYSA-N 1 2 394.302 3.557 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000859181530 883642616 /nfs/dbraw/zinc/64/26/16/883642616.db2.gz OKDASSLVCSGOIH-IBGZPJMESA-N 1 2 376.460 3.580 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1C ZINC000859945034 884195243 /nfs/dbraw/zinc/19/52/43/884195243.db2.gz JSIRDAHBPAIPMM-UHFFFAOYSA-N 1 2 390.487 3.958 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1C ZINC000859945034 884195248 /nfs/dbraw/zinc/19/52/48/884195248.db2.gz JSIRDAHBPAIPMM-UHFFFAOYSA-N 1 2 390.487 3.958 20 10 GHCDLO CC[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cccc(Cl)c1O ZINC000806164993 884420950 /nfs/dbraw/zinc/42/09/50/884420950.db2.gz GALRBUKTPZXXIP-SFHVURJKSA-N 1 2 381.925 3.744 20 10 GHCDLO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(Cl)c1O ZINC000806165739 884421099 /nfs/dbraw/zinc/42/10/99/884421099.db2.gz ONADJAMXLRTNNI-DNVCBOLYSA-N 1 2 388.895 3.766 20 10 GHCDLO Cn1nc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000898022455 884558659 /nfs/dbraw/zinc/55/86/59/884558659.db2.gz FOVMFHXGQVHIMY-UHFFFAOYSA-N 1 2 397.401 3.627 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000861352011 885421601 /nfs/dbraw/zinc/42/16/01/885421601.db2.gz WZTSNXYHYDOSKZ-SFHVURJKSA-N 1 2 390.487 3.660 20 10 GHCDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809725819 887710108 /nfs/dbraw/zinc/71/01/08/887710108.db2.gz BQIRFZWAVCIDKM-AWEZNQCLSA-N 1 2 385.302 3.645 20 10 GHCDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809725819 887710117 /nfs/dbraw/zinc/71/01/17/887710117.db2.gz BQIRFZWAVCIDKM-AWEZNQCLSA-N 1 2 385.302 3.645 20 10 GHCDLO C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000809706521 887724710 /nfs/dbraw/zinc/72/47/10/887724710.db2.gz BOTQPZCSGBXAFM-UWVGGRQHSA-N 1 2 393.119 3.679 20 10 GHCDLO Fc1cc(CNc2cc[nH+]c(OCC(F)(F)F)c2)ccc1N1CCOCC1 ZINC000811837814 890022997 /nfs/dbraw/zinc/02/29/97/890022997.db2.gz FIRMCNWJIBKUEG-UHFFFAOYSA-N 1 2 385.361 3.611 20 10 GHCDLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)c(C)n1-c1ccc(Br)cc1 ZINC000811934159 890129249 /nfs/dbraw/zinc/12/92/49/890129249.db2.gz VZKIZGLKWRPLMO-UHFFFAOYSA-N 1 2 399.292 3.709 20 10 GHCDLO COc1c(O)c(C[N@H+](C)Cc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000774820436 913643725 /nfs/dbraw/zinc/64/37/25/913643725.db2.gz LJVILUKLBQONDO-UHFFFAOYSA-N 1 2 381.226 3.704 20 10 GHCDLO COc1c(O)c(C[N@@H+](C)Cc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000774820436 913643727 /nfs/dbraw/zinc/64/37/27/913643727.db2.gz LJVILUKLBQONDO-UHFFFAOYSA-N 1 2 381.226 3.704 20 10 GHCDLO COc1c(O)c(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)ccc1[N+](=O)[O-] ZINC000774820586 913643862 /nfs/dbraw/zinc/64/38/62/913643862.db2.gz BVDOKTOKQAEZDL-UHFFFAOYSA-N 1 2 381.772 3.503 20 10 GHCDLO COc1c(O)c(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)ccc1[N+](=O)[O-] ZINC000774820586 913643871 /nfs/dbraw/zinc/64/38/71/913643871.db2.gz BVDOKTOKQAEZDL-UHFFFAOYSA-N 1 2 381.772 3.503 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)Cc2cccc(C(N)=O)c2)c(C)n1-c1ccc(F)cc1 ZINC000918189779 893333380 /nfs/dbraw/zinc/33/33/80/893333380.db2.gz WAGMKTIXGVRMLH-UHFFFAOYSA-N 1 2 393.462 3.647 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)Cc2cccc(C(N)=O)c2)c(C)n1-c1ccc(F)cc1 ZINC000918189779 893333397 /nfs/dbraw/zinc/33/33/97/893333397.db2.gz WAGMKTIXGVRMLH-UHFFFAOYSA-N 1 2 393.462 3.647 20 10 GHCDLO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1noc(-c2ccccc2)n1 ZINC000877085659 893475872 /nfs/dbraw/zinc/47/58/72/893475872.db2.gz QLSPXTNPXGZWND-INIZCTEOSA-N 1 2 378.476 3.549 20 10 GHCDLO CC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)c2ccccc21 ZINC000883076951 897256665 /nfs/dbraw/zinc/25/66/65/897256665.db2.gz SDTQSHGJEVCUSW-INIZCTEOSA-N 1 2 393.256 3.881 20 10 GHCDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000042289875 897399086 /nfs/dbraw/zinc/39/90/86/897399086.db2.gz AKFGIVMKYAQCPU-SFHVURJKSA-N 1 2 395.547 3.969 20 10 GHCDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3ccc(N(C)C)cc3)cn2c1 ZINC000042388330 897512492 /nfs/dbraw/zinc/51/24/92/897512492.db2.gz LVCRODCAIISERI-UHFFFAOYSA-N 1 2 382.533 3.601 20 10 GHCDLO COc1ccc(C[N@H+](C)Cc2cc(Br)c(F)cc2O)c(OC)c1 ZINC001144306844 901687047 /nfs/dbraw/zinc/68/70/47/901687047.db2.gz TWYIRQDLRXLXKU-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1ccc(C[N@@H+](C)Cc2cc(Br)c(F)cc2O)c(OC)c1 ZINC001144306844 901687056 /nfs/dbraw/zinc/68/70/56/901687056.db2.gz TWYIRQDLRXLXKU-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144308127 901700932 /nfs/dbraw/zinc/70/09/32/901700932.db2.gz QMDFRHNNTVOBHJ-UHFFFAOYSA-N 1 2 387.293 3.515 20 10 GHCDLO COc1cc(OC)cc([C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)c2nccn2C)c1 ZINC000128905325 902732052 /nfs/dbraw/zinc/73/20/52/902732052.db2.gz VZKHNEZNZZLAOL-ZHRRBRCNSA-N 1 2 394.519 3.944 20 10 GHCDLO CN(C)[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)Cc1ccccc1 ZINC001177097753 908405598 /nfs/dbraw/zinc/40/55/98/908405598.db2.gz BCSWPOQARKINIY-INIZCTEOSA-N 1 2 381.289 3.556 20 10 GHCDLO C[C@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773625183 908458480 /nfs/dbraw/zinc/45/84/80/908458480.db2.gz QAAOICBZKLYYPF-LAUBAEHRSA-N 1 2 391.519 3.830 20 10 GHCDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773809227 909440502 /nfs/dbraw/zinc/44/05/02/909440502.db2.gz MWBCXDXTUWOXIR-MJGOQNOKSA-N 1 2 391.874 3.819 20 10 GHCDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773809227 909440512 /nfs/dbraw/zinc/44/05/12/909440512.db2.gz MWBCXDXTUWOXIR-MJGOQNOKSA-N 1 2 391.874 3.819 20 10 GHCDLO Oc1cc(Br)ccc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001180387175 910109187 /nfs/dbraw/zinc/10/91/87/910109187.db2.gz VPYLOYIJSPYNOJ-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000007255684 918946202 /nfs/dbraw/zinc/94/62/02/918946202.db2.gz JKCGAJBBOZQXAO-UHFFFAOYSA-N 1 2 389.499 3.768 20 10 GHCDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000007255684 918946220 /nfs/dbraw/zinc/94/62/20/918946220.db2.gz JKCGAJBBOZQXAO-UHFFFAOYSA-N 1 2 389.499 3.768 20 10 GHCDLO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(Br)cc(F)c1O ZINC000368477096 922699572 /nfs/dbraw/zinc/69/95/72/922699572.db2.gz BMPRIVFAINUHEP-NSHDSACASA-N 1 2 382.277 3.720 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1cc(Br)cc(F)c1O ZINC000903339733 922941469 /nfs/dbraw/zinc/94/14/69/922941469.db2.gz CEAUAGZJWXMZJE-SSDOTTSWSA-N 1 2 396.182 3.897 20 10 GHCDLO Cc1cc(CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1-c1ccccc1 ZINC000726703374 926814905 /nfs/dbraw/zinc/81/49/05/926814905.db2.gz WUTVNBZUESDZRX-UHFFFAOYSA-N 1 2 391.519 3.949 20 10 GHCDLO COCCN(Cc1c[nH+]cn1Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000782516041 931250998 /nfs/dbraw/zinc/25/09/98/931250998.db2.gz PFQFHPJZMHHOEC-UHFFFAOYSA-N 1 2 381.476 3.602 20 10 GHCDLO COc1ccc2c(c1)OCC[N@@H+](Cc1cc(C)cc(Br)c1O)C2 ZINC000802659121 1021517998 /nfs/dbraw/zinc/51/79/98/1021517998.db2.gz GFOAOBYLNYBWIC-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO COc1ccc2c(c1)OCC[N@H+](Cc1cc(C)cc(Br)c1O)C2 ZINC000802659121 1021518009 /nfs/dbraw/zinc/51/80/09/1021518009.db2.gz GFOAOBYLNYBWIC-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(Cl)c1O ZINC000834908999 1021669678 /nfs/dbraw/zinc/66/96/78/1021669678.db2.gz HXBDMXSNVIUWGL-XJKSGUPXSA-N 1 2 384.904 3.722 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1cc(Br)c(F)cc1O ZINC000834910927 1021673453 /nfs/dbraw/zinc/67/34/53/1021673453.db2.gz GODCTAIHSNTGNR-USBNGQNGSA-N 1 2 398.276 3.598 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1cc(Br)c(F)cc1O ZINC000834910924 1021673752 /nfs/dbraw/zinc/67/37/52/1021673752.db2.gz GODCTAIHSNTGNR-MMPTUQATSA-N 1 2 398.276 3.598 20 10 GHCDLO COc1ccccc1[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1nccn1C ZINC000835037705 1021794969 /nfs/dbraw/zinc/79/49/69/1021794969.db2.gz VUQHVCCBIHZACV-RHVSLNNASA-N 1 2 376.504 3.887 20 10 GHCDLO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4c(O)cc(F)cc4F)C3)C2=O)c1 ZINC001140580885 1022001055 /nfs/dbraw/zinc/00/10/55/1022001055.db2.gz LKEARSQCFPLUAT-QFIPXVFZSA-N 1 2 386.442 3.603 20 10 GHCDLO Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4c(O)cc(F)cc4F)C3)C2=O)c1 ZINC001140580885 1022001072 /nfs/dbraw/zinc/00/10/72/1022001072.db2.gz LKEARSQCFPLUAT-QFIPXVFZSA-N 1 2 386.442 3.603 20 10 GHCDLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140583478 1022004389 /nfs/dbraw/zinc/00/43/89/1022004389.db2.gz INTMFGKUFMSFPI-IYOUNJFTSA-N 1 2 380.479 3.966 20 10 GHCDLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140583478 1022004402 /nfs/dbraw/zinc/00/44/02/1022004402.db2.gz INTMFGKUFMSFPI-IYOUNJFTSA-N 1 2 380.479 3.966 20 10 GHCDLO COc1cc(O)c(C[NH+]2CC(Oc3ccc(C(F)(F)F)cc3)C2)c(OC)c1 ZINC001141032989 1023301282 /nfs/dbraw/zinc/30/12/82/1023301282.db2.gz WCXALZYEUXVJEX-UHFFFAOYSA-N 1 2 383.366 3.691 20 10 GHCDLO O=C(C[N@H+]1CCSC[C@@H]1CCO)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000756082938 1023515659 /nfs/dbraw/zinc/51/56/59/1023515659.db2.gz LLWNCANDSIFICR-IBGZPJMESA-N 1 2 384.505 3.840 20 10 GHCDLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000756082938 1023515665 /nfs/dbraw/zinc/51/56/65/1023515665.db2.gz LLWNCANDSIFICR-IBGZPJMESA-N 1 2 384.505 3.840 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)cc(F)c1O ZINC000756370479 1023614242 /nfs/dbraw/zinc/61/42/42/1023614242.db2.gz IZPDKGVBTPBRKX-DJJJIMSYSA-N 1 2 380.410 3.534 20 10 GHCDLO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)N2CCOCC2)cc1 ZINC000756434170 1023646874 /nfs/dbraw/zinc/64/68/74/1023646874.db2.gz IYDJTVIVEHWNSR-YWZLYKJASA-N 1 2 376.447 3.703 20 10 GHCDLO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000756434840 1023647749 /nfs/dbraw/zinc/64/77/49/1023647749.db2.gz URSBHKBWWVXFTE-NSHDSACASA-N 1 2 399.260 3.565 20 10 GHCDLO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(Br)cc(F)c1O ZINC000756478101 1023676047 /nfs/dbraw/zinc/67/60/47/1023676047.db2.gz FGISEHKVJYBJAT-LBPRGKRZSA-N 1 2 379.273 3.960 20 10 GHCDLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Br)c(F)cc1O ZINC000756712486 1023784033 /nfs/dbraw/zinc/78/40/33/1023784033.db2.gz QXGOKTXSLOLPLB-RMLUDKJBSA-N 1 2 390.199 3.956 20 10 GHCDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1cc(Br)ccc1O ZINC000756743932 1023795935 /nfs/dbraw/zinc/79/59/35/1023795935.db2.gz XRLAYRVCMNKVTO-SNVBAGLBSA-N 1 2 391.244 3.930 20 10 GHCDLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(Br)ccc1O ZINC000756743932 1023795942 /nfs/dbraw/zinc/79/59/42/1023795942.db2.gz XRLAYRVCMNKVTO-SNVBAGLBSA-N 1 2 391.244 3.930 20 10 GHCDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1cc(Br)ccc1O ZINC000756743930 1023796073 /nfs/dbraw/zinc/79/60/73/1023796073.db2.gz XRLAYRVCMNKVTO-JTQLQIEISA-N 1 2 391.244 3.930 20 10 GHCDLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(Br)ccc1O ZINC000756743930 1023796079 /nfs/dbraw/zinc/79/60/79/1023796079.db2.gz XRLAYRVCMNKVTO-JTQLQIEISA-N 1 2 391.244 3.930 20 10 GHCDLO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756784613 1023814829 /nfs/dbraw/zinc/81/48/29/1023814829.db2.gz PJDYRIUXSIJDSE-KBUNVGBDSA-N 1 2 376.600 3.772 20 10 GHCDLO CC[NH+]1CCN(c2ccc(N[C@H](C)c3cc([N+](=O)[O-])ccc3O)c(C)c2)CC1 ZINC000756792920 1023817928 /nfs/dbraw/zinc/81/79/28/1023817928.db2.gz PLZFTTZKYCGBLZ-MRXNPFEDSA-N 1 2 384.480 3.924 20 10 GHCDLO Cn1c(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)nc2ccccc21 ZINC001138381201 1024749558 /nfs/dbraw/zinc/74/95/58/1024749558.db2.gz DLHKUODDJDGMCE-UHFFFAOYSA-N 1 2 390.409 3.794 20 10 GHCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000831707267 1024766982 /nfs/dbraw/zinc/76/69/82/1024766982.db2.gz YZWIOWPCHRFDRW-YLJYHZDGSA-N 1 2 375.472 3.941 20 10 GHCDLO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001139123808 1025938278 /nfs/dbraw/zinc/93/82/78/1025938278.db2.gz KKQQZSQQBCAZQO-NRFANRHFSA-N 1 2 382.504 3.804 20 10 GHCDLO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001139123808 1025938287 /nfs/dbraw/zinc/93/82/87/1025938287.db2.gz KKQQZSQQBCAZQO-NRFANRHFSA-N 1 2 382.504 3.804 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC001139126227 1025939389 /nfs/dbraw/zinc/93/93/89/1025939389.db2.gz BNPRILIPEORTPQ-UHFFFAOYSA-N 1 2 377.440 3.902 20 10 GHCDLO CCOC(=O)C1(C(C)C)CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139133190 1025944652 /nfs/dbraw/zinc/94/46/52/1025944652.db2.gz DNAPJPWPIIGQLI-UHFFFAOYSA-N 1 2 387.476 3.608 20 10 GHCDLO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139133849 1025946779 /nfs/dbraw/zinc/94/67/79/1025946779.db2.gz TZSAQJJHANPCMA-INIZCTEOSA-N 1 2 380.444 3.554 20 10 GHCDLO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139133849 1025946781 /nfs/dbraw/zinc/94/67/81/1025946781.db2.gz TZSAQJJHANPCMA-INIZCTEOSA-N 1 2 380.444 3.554 20 10 GHCDLO Cc1ccc(C)c(C[N@@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)c1O ZINC001140179323 1026952287 /nfs/dbraw/zinc/95/22/87/1026952287.db2.gz HSCSGNZCNQQBKL-KRWDZBQOSA-N 1 2 378.476 3.756 20 10 GHCDLO Cc1ccc(C)c(C[N@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)c1O ZINC001140179323 1026952290 /nfs/dbraw/zinc/95/22/90/1026952290.db2.gz HSCSGNZCNQQBKL-KRWDZBQOSA-N 1 2 378.476 3.756 20 10 GHCDLO C[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@H]1O ZINC001203562281 1027434868 /nfs/dbraw/zinc/43/48/68/1027434868.db2.gz GRDBULBIDKIJAE-ZANVPECISA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@H]1O ZINC001203562281 1027434871 /nfs/dbraw/zinc/43/48/71/1027434871.db2.gz GRDBULBIDKIJAE-ZANVPECISA-N 1 2 393.119 3.510 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH+]1CCC2(COC2)CC1 ZINC001203562670 1027435928 /nfs/dbraw/zinc/43/59/28/1027435928.db2.gz OHJNQQQMTWMZDJ-UHFFFAOYSA-N 1 2 391.103 3.530 20 10 GHCDLO CCO[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203568197 1027439289 /nfs/dbraw/zinc/43/92/89/1027439289.db2.gz DZZKPGJDJFDPLA-LLVKDONJSA-N 1 2 379.092 3.528 20 10 GHCDLO CCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203568197 1027439295 /nfs/dbraw/zinc/43/92/95/1027439295.db2.gz DZZKPGJDJFDPLA-LLVKDONJSA-N 1 2 379.092 3.528 20 10 GHCDLO CN(Cc1ccccc1)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC001203583768 1027451979 /nfs/dbraw/zinc/45/19/79/1027451979.db2.gz UZXLLUKOMQGODD-UHFFFAOYSA-N 1 2 392.902 3.956 20 10 GHCDLO COc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(O)c1 ZINC001203634921 1027492391 /nfs/dbraw/zinc/49/23/91/1027492391.db2.gz BKAPHEZFDYKESD-IBGZPJMESA-N 1 2 380.410 3.650 20 10 GHCDLO COc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(O)c1 ZINC001203634921 1027492403 /nfs/dbraw/zinc/49/24/03/1027492403.db2.gz BKAPHEZFDYKESD-IBGZPJMESA-N 1 2 380.410 3.650 20 10 GHCDLO Cc1ncc(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)cn1 ZINC001203123887 1029374588 /nfs/dbraw/zinc/37/45/88/1029374588.db2.gz CSBOVLCFSAQFQV-UHFFFAOYSA-N 1 2 385.471 3.915 20 10 GHCDLO Oc1ccc(-c2nc(-c3ccc4ncsc4c3)no2)cc1C[NH+]1CCOCC1 ZINC001217056606 1030128696 /nfs/dbraw/zinc/12/86/96/1030128696.db2.gz LUTJVTYBGADKOO-UHFFFAOYSA-N 1 2 394.456 3.551 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc2[nH]c(=O)oc2c1 ZINC001461669901 1069669310 /nfs/dbraw/zinc/66/93/10/1069669310.db2.gz HMFOVXQUTCDWEJ-MRVPVSSYSA-N 1 2 381.201 3.991 20 10 GHCDLO O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O[C@H]3CCC[C@@]34CC[NH2+]C4)c12 ZINC001218097805 1030770601 /nfs/dbraw/zinc/77/06/01/1030770601.db2.gz XZTTXNVVQVZNPX-CVDCTZTESA-N 1 2 393.439 3.782 20 10 GHCDLO CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[N@@H+]1CCO[C@@H](CC)C1 ZINC001151152520 1030785752 /nfs/dbraw/zinc/78/57/52/1030785752.db2.gz BOVIPNWGHFYYNY-FCHUYYIVSA-N 1 2 383.536 3.600 20 10 GHCDLO CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[N@H+]1CCO[C@@H](CC)C1 ZINC001151152520 1030785766 /nfs/dbraw/zinc/78/57/66/1030785766.db2.gz BOVIPNWGHFYYNY-FCHUYYIVSA-N 1 2 383.536 3.600 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)cccc2Br)C(C)(C)C1 ZINC001461851679 1069792879 /nfs/dbraw/zinc/79/28/79/1069792879.db2.gz QUEAEGBFJMRLDF-UHFFFAOYSA-N 1 2 399.329 3.986 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2c(O)cccc2Br)C(C)(C)C1 ZINC001461851679 1069792883 /nfs/dbraw/zinc/79/28/83/1069792883.db2.gz QUEAEGBFJMRLDF-UHFFFAOYSA-N 1 2 399.329 3.986 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC001206085137 1033712540 /nfs/dbraw/zinc/71/25/40/1033712540.db2.gz RVWMFMOMIAAFQM-INIZCTEOSA-N 1 2 391.284 3.931 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC001206085137 1033712552 /nfs/dbraw/zinc/71/25/52/1033712552.db2.gz RVWMFMOMIAAFQM-INIZCTEOSA-N 1 2 391.284 3.931 20 10 GHCDLO COC(=O)C1(CCCC[NH2+]Cc2cc(Br)cc(F)c2O)CCC1 ZINC001207735779 1034549061 /nfs/dbraw/zinc/54/90/61/1034549061.db2.gz QQEXEXDJENHVHJ-UHFFFAOYSA-N 1 2 388.277 3.897 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c1O ZINC001231554901 1034706974 /nfs/dbraw/zinc/70/69/74/1034706974.db2.gz FJZNXNADMLKNEP-LBPRGKRZSA-N 1 2 382.298 3.887 20 10 GHCDLO COc1ccc(Br)c(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c1O ZINC001231554901 1034706987 /nfs/dbraw/zinc/70/69/87/1034706987.db2.gz FJZNXNADMLKNEP-LBPRGKRZSA-N 1 2 382.298 3.887 20 10 GHCDLO Oc1c(Cl)cccc1C[NH+]1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001231910469 1034984679 /nfs/dbraw/zinc/98/46/79/1034984679.db2.gz QOJCGUNYTLKERF-HNNXBMFYSA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001231911828 1034986829 /nfs/dbraw/zinc/98/68/29/1034986829.db2.gz OELDOQJZKHYRBM-UHFFFAOYSA-N 1 2 386.805 3.567 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001231911828 1034986833 /nfs/dbraw/zinc/98/68/33/1034986833.db2.gz OELDOQJZKHYRBM-UHFFFAOYSA-N 1 2 386.805 3.567 20 10 GHCDLO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCOCC3)c(Cl)c1)CC2 ZINC001232200252 1035158334 /nfs/dbraw/zinc/15/83/34/1035158334.db2.gz RKOQOTHXTMWZFV-UHFFFAOYSA-N 1 2 384.907 3.938 20 10 GHCDLO CC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(N3CCOCC3)c(Cl)c1)CC2 ZINC001232200252 1035158335 /nfs/dbraw/zinc/15/83/35/1035158335.db2.gz RKOQOTHXTMWZFV-UHFFFAOYSA-N 1 2 384.907 3.938 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001462071587 1069980041 /nfs/dbraw/zinc/98/00/41/1069980041.db2.gz NIGZHVHCUSZBGA-QWHCGFSZSA-N 1 2 399.329 3.984 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001462071587 1069980042 /nfs/dbraw/zinc/98/00/42/1069980042.db2.gz NIGZHVHCUSZBGA-QWHCGFSZSA-N 1 2 399.329 3.984 20 10 GHCDLO COc1ccccc1O[C@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233029828 1038781858 /nfs/dbraw/zinc/78/18/58/1038781858.db2.gz JMMUXCSDDLWRKI-ZDUSSCGKSA-N 1 2 396.256 3.956 20 10 GHCDLO COc1ccccc1O[C@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233029828 1038781863 /nfs/dbraw/zinc/78/18/63/1038781863.db2.gz JMMUXCSDDLWRKI-ZDUSSCGKSA-N 1 2 396.256 3.956 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)cc1Br ZINC001233139629 1038919010 /nfs/dbraw/zinc/91/90/10/1038919010.db2.gz NAFITMNWPURCMD-QGZVFWFLSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)cc1Br ZINC001233139629 1038919014 /nfs/dbraw/zinc/91/90/14/1038919014.db2.gz NAFITMNWPURCMD-QGZVFWFLSA-N 1 2 391.309 3.652 20 10 GHCDLO Cc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2c(O)ccc(F)c2F)CCO3)c1 ZINC001233333080 1039129812 /nfs/dbraw/zinc/12/98/12/1039129812.db2.gz JATZFFOKLNVDFV-JOCHJYFZSA-N 1 2 388.458 3.850 20 10 GHCDLO Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2c(O)ccc(F)c2F)CCO3)c1 ZINC001233333080 1039129824 /nfs/dbraw/zinc/12/98/24/1039129824.db2.gz JATZFFOKLNVDFV-JOCHJYFZSA-N 1 2 388.458 3.850 20 10 GHCDLO C[NH+]1CCN(c2ccc(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2F)CC1 ZINC001253981446 1039933655 /nfs/dbraw/zinc/93/36/55/1039933655.db2.gz PVYWZRPNKMUFFW-UHFFFAOYSA-N 1 2 398.482 3.650 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235305273 1040777505 /nfs/dbraw/zinc/77/75/05/1040777505.db2.gz LIVYENXRXPIBNN-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235305273 1040777522 /nfs/dbraw/zinc/77/75/22/1040777522.db2.gz LIVYENXRXPIBNN-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO CCC(=O)N(CC)C1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235306496 1040782609 /nfs/dbraw/zinc/78/26/09/1040782609.db2.gz HCSSMHVWYHPBEU-UHFFFAOYSA-N 1 2 387.293 3.517 20 10 GHCDLO CC(C)(C)OC(=O)N1CCOC2(C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001235683781 1041150428 /nfs/dbraw/zinc/15/04/28/1041150428.db2.gz VCIFQAYHZJMYSU-UHFFFAOYSA-N 1 2 390.524 3.511 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001236663998 1041811904 /nfs/dbraw/zinc/81/19/04/1041811904.db2.gz RIHIOVNNGHPMDM-CYBMUJFWSA-N 1 2 386.286 3.989 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001236663998 1041811908 /nfs/dbraw/zinc/81/19/08/1041811908.db2.gz RIHIOVNNGHPMDM-CYBMUJFWSA-N 1 2 386.286 3.989 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001236789692 1041895548 /nfs/dbraw/zinc/89/55/48/1041895548.db2.gz HPVMHVYQXJUGEA-POZUXBRTSA-N 1 2 395.286 3.510 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001236789692 1041895551 /nfs/dbraw/zinc/89/55/51/1041895551.db2.gz HPVMHVYQXJUGEA-POZUXBRTSA-N 1 2 395.286 3.510 20 10 GHCDLO CCOC(=O)c1coc(C2CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)n1 ZINC001236809235 1041909662 /nfs/dbraw/zinc/90/96/62/1041909662.db2.gz KMXSFEVALCIGOA-UHFFFAOYSA-N 1 2 394.855 3.599 20 10 GHCDLO COc1ccc(C[N@@H+]2CCN(CC3CC3)c3nc(C)ccc3C2)c(O)c1Cl ZINC001236813424 1041911988 /nfs/dbraw/zinc/91/19/88/1041911988.db2.gz LSRQOLOYUDYYKJ-UHFFFAOYSA-N 1 2 387.911 3.990 20 10 GHCDLO COc1ccc(C[N@H+]2CCN(CC3CC3)c3nc(C)ccc3C2)c(O)c1Cl ZINC001236813424 1041911999 /nfs/dbraw/zinc/91/19/99/1041911999.db2.gz LSRQOLOYUDYYKJ-UHFFFAOYSA-N 1 2 387.911 3.990 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2O)Cc2nnn(CC3CC3)c21 ZINC001237051469 1042010442 /nfs/dbraw/zinc/01/04/42/1042010442.db2.gz KXWCACQHSYNONH-IBGZPJMESA-N 1 2 384.524 3.653 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2O)Cc2nnn(CC3CC3)c21 ZINC001237051469 1042010448 /nfs/dbraw/zinc/01/04/48/1042010448.db2.gz KXWCACQHSYNONH-IBGZPJMESA-N 1 2 384.524 3.653 20 10 GHCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001237135482 1042057544 /nfs/dbraw/zinc/05/75/44/1042057544.db2.gz IVUJUYDUVLFSTO-KVSKMBFKSA-N 1 2 394.393 3.617 20 10 GHCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001237135482 1042057548 /nfs/dbraw/zinc/05/75/48/1042057548.db2.gz IVUJUYDUVLFSTO-KVSKMBFKSA-N 1 2 394.393 3.617 20 10 GHCDLO CC[C@@H]1[N@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@]12CCC(=O)N2CCOC ZINC001237618688 1042285388 /nfs/dbraw/zinc/28/53/88/1042285388.db2.gz KPBJXRQIBDEEPU-PXNSSMCTSA-N 1 2 398.906 3.567 20 10 GHCDLO CC[C@@H]1[N@@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@]12CCC(=O)N2CCOC ZINC001237618688 1042285392 /nfs/dbraw/zinc/28/53/92/1042285392.db2.gz KPBJXRQIBDEEPU-PXNSSMCTSA-N 1 2 398.906 3.567 20 10 GHCDLO O=C1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1ccsc1 ZINC001237618488 1042285502 /nfs/dbraw/zinc/28/55/02/1042285502.db2.gz IFSDPSIHDUTSGO-SFHVURJKSA-N 1 2 380.872 3.875 20 10 GHCDLO O=C1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1ccsc1 ZINC001237618488 1042285503 /nfs/dbraw/zinc/28/55/03/1042285503.db2.gz IFSDPSIHDUTSGO-SFHVURJKSA-N 1 2 380.872 3.875 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001237935529 1042427374 /nfs/dbraw/zinc/42/73/74/1042427374.db2.gz FAQCHLITDRLURH-UHFFFAOYSA-N 1 2 389.780 3.921 20 10 GHCDLO Oc1cc(O)c(C[N@@H+]2CCCC3(CN(CCCC(F)(F)F)C3)C2)cc1Cl ZINC001279572272 1047842622 /nfs/dbraw/zinc/84/26/22/1047842622.db2.gz GEDMSGJQFWLDFW-UHFFFAOYSA-N 1 2 392.849 3.992 20 10 GHCDLO Oc1cc(O)c(C[N@H+]2CCCC3(CN(CCCC(F)(F)F)C3)C2)cc1Cl ZINC001279572272 1047842632 /nfs/dbraw/zinc/84/26/32/1047842632.db2.gz GEDMSGJQFWLDFW-UHFFFAOYSA-N 1 2 392.849 3.992 20 10 GHCDLO Oc1cc(O)c(CN2CCCC3(C[NH+](CCCC(F)(F)F)C3)C2)cc1Cl ZINC001279572272 1047842643 /nfs/dbraw/zinc/84/26/43/1047842643.db2.gz GEDMSGJQFWLDFW-UHFFFAOYSA-N 1 2 392.849 3.992 20 10 GHCDLO COc1ccc(O[C@@H](C)C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001308293558 1049940182 /nfs/dbraw/zinc/94/01/82/1049940182.db2.gz UOEKXHFRMYTKON-NSHDSACASA-N 1 2 384.245 3.860 20 10 GHCDLO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1CCCc1ccccc1 ZINC001308304421 1049943988 /nfs/dbraw/zinc/94/39/88/1049943988.db2.gz ZOHWJZYQMPHSFP-GOSISDBHSA-N 1 2 376.859 3.508 20 10 GHCDLO Cc1cccc(C[NH+]2CCN(Cc3cc(Br)cc(F)c3O)CC2)c1 ZINC001308649590 1050046990 /nfs/dbraw/zinc/04/69/90/1050046990.db2.gz JGFFPCYBABLAIK-UHFFFAOYSA-N 1 2 393.300 3.920 20 10 GHCDLO Cc1ccc(C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(O)c1 ZINC001308761124 1050085485 /nfs/dbraw/zinc/08/54/85/1050085485.db2.gz PPFDDSUHXRPYCL-UHFFFAOYSA-N 1 2 377.238 3.930 20 10 GHCDLO Cc1ccc(C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(O)c1 ZINC001308761124 1050085487 /nfs/dbraw/zinc/08/54/87/1050085487.db2.gz PPFDDSUHXRPYCL-UHFFFAOYSA-N 1 2 377.238 3.930 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC001318314923 1054561685 /nfs/dbraw/zinc/56/16/85/1054561685.db2.gz VTKNNJSHKTWGTH-IRXDYDNUSA-N 1 2 389.927 3.587 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000848561642 1057180041 /nfs/dbraw/zinc/18/00/41/1057180041.db2.gz AXCQMNAIANBHQC-NRFANRHFSA-N 1 2 391.519 3.973 20 10 GHCDLO COc1c(C)c[nH+]c(CNC(=S)Nc2ccc(Br)cc2)c1C ZINC001342194888 1061122167 /nfs/dbraw/zinc/12/21/67/1061122167.db2.gz XZYRHOYIVIIVPV-UHFFFAOYSA-N 1 2 380.311 3.956 20 10 GHCDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001457284832 1063073814 /nfs/dbraw/zinc/07/38/14/1063073814.db2.gz RJBDNFLEWGJLEA-OAHLLOKOSA-N 1 2 382.468 3.820 20 10 GHCDLO [O-]c1c(F)cc(Br)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC001474168634 1074281758 /nfs/dbraw/zinc/28/17/58/1074281758.db2.gz DWJRFYVONBPFON-UHFFFAOYSA-N 1 2 390.256 3.828 20 10 GHCDLO CC(C)[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C(=O)OC(C)(C)C ZINC001474194695 1074289405 /nfs/dbraw/zinc/28/94/05/1074289405.db2.gz YBXNRSABSYLGBJ-ZDUSSCGKSA-N 1 2 390.293 3.997 20 10 GHCDLO COC(=O)[C@](C)(C[NH2+]Cc1cc(Br)cc(F)c1O)c1ccccc1 ZINC001474447048 1074410058 /nfs/dbraw/zinc/41/00/58/1074410058.db2.gz URXMGPJSJFCNSK-GOSISDBHSA-N 1 2 396.256 3.514 20 10 GHCDLO c1[nH]c2ncccc2c1C1=CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000735399297 599263117 /nfs/dbraw/zinc/26/31/17/599263117.db2.gz KHTPBAKCNBJFGG-UHFFFAOYSA-N 1 2 394.442 3.585 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000278322016 834653329 /nfs/dbraw/zinc/65/33/29/834653329.db2.gz GFTJGWLODSBWBO-UHFFFAOYSA-N 1 2 381.236 3.661 20 10 GHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122352873 839361065 /nfs/dbraw/zinc/36/10/65/839361065.db2.gz DVUVRDTUKUZWEZ-UHFFFAOYSA-N 1 2 395.551 3.870 20 10 GHCDLO C[C@@]1(NCc2c(O)cccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000706872898 841035393 /nfs/dbraw/zinc/03/53/93/841035393.db2.gz SNQQKXOHTFFJLR-LJQANCHMSA-N 1 2 375.310 3.909 20 10 GHCDLO C[C@@]1(NCc2c(O)cccc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000706872898 841035397 /nfs/dbraw/zinc/03/53/97/841035397.db2.gz SNQQKXOHTFFJLR-LJQANCHMSA-N 1 2 375.310 3.909 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000731345846 861580449 /nfs/dbraw/zinc/58/04/49/861580449.db2.gz LLQNWDSNSDVQDK-UHFFFAOYSA-N 1 2 380.467 3.847 20 10 GHCDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)n1 ZINC000273425631 847334763 /nfs/dbraw/zinc/33/47/63/847334763.db2.gz WJPYXJVVRXCYLB-LLVKDONJSA-N 1 2 385.395 3.643 20 10 GHCDLO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000729449261 851221123 /nfs/dbraw/zinc/22/11/23/851221123.db2.gz OVZCUEONIFRPMJ-JKSUJKDBSA-N 1 2 389.927 3.587 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000894478192 851438007 /nfs/dbraw/zinc/43/80/07/851438007.db2.gz UIKKTFYRLIEMDU-UHFFFAOYSA-N 1 2 390.705 3.580 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000894478192 851438014 /nfs/dbraw/zinc/43/80/14/851438014.db2.gz UIKKTFYRLIEMDU-UHFFFAOYSA-N 1 2 390.705 3.580 20 10 GHCDLO COCC[C@@H](C)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000840954467 866727426 /nfs/dbraw/zinc/72/74/26/866727426.db2.gz FLBOWSCFWYEJEB-SECBINFHSA-N 1 2 381.108 3.679 20 10 GHCDLO COc1cc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC000198911786 856720915 /nfs/dbraw/zinc/72/09/15/856720915.db2.gz OMUOPDHOKKZIFG-UHFFFAOYSA-N 1 2 391.855 3.588 20 10 GHCDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000761197185 859062946 /nfs/dbraw/zinc/06/29/46/859062946.db2.gz ARBHKWUCEBTVRR-QGZVFWFLSA-N 1 2 377.868 3.660 20 10 GHCDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000761197185 859062953 /nfs/dbraw/zinc/06/29/53/859062953.db2.gz ARBHKWUCEBTVRR-QGZVFWFLSA-N 1 2 377.868 3.660 20 10 GHCDLO O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000738270015 865511152 /nfs/dbraw/zinc/51/11/52/865511152.db2.gz IFDIWVWJIIEGEI-IBGZPJMESA-N 1 2 394.515 3.779 20 10 GHCDLO O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000738270015 865511154 /nfs/dbraw/zinc/51/11/54/865511154.db2.gz IFDIWVWJIIEGEI-IBGZPJMESA-N 1 2 394.515 3.779 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)c(C(F)(F)F)c1 ZINC000793077056 881912062 /nfs/dbraw/zinc/91/20/62/881912062.db2.gz AROYQJFUZLNJMP-UHFFFAOYSA-N 1 2 383.458 3.604 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)c(C(F)(F)F)c1 ZINC000793077056 881912073 /nfs/dbraw/zinc/91/20/73/881912073.db2.gz AROYQJFUZLNJMP-UHFFFAOYSA-N 1 2 383.458 3.604 20 10 GHCDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975783 866226782 /nfs/dbraw/zinc/22/67/82/866226782.db2.gz USVHTNSOHWHLIH-KRWDZBQOSA-N 1 2 394.471 3.873 20 10 GHCDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975783 866226800 /nfs/dbraw/zinc/22/68/00/866226800.db2.gz USVHTNSOHWHLIH-KRWDZBQOSA-N 1 2 394.471 3.873 20 10 GHCDLO OC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1OC(F)(F)F ZINC000793347358 882144320 /nfs/dbraw/zinc/14/43/20/882144320.db2.gz BJNNAGZRPWGXGI-GFCCVEGCSA-N 1 2 379.737 3.907 20 10 GHCDLO CC(C)(C)C[N@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000775682496 872814442 /nfs/dbraw/zinc/81/44/42/872814442.db2.gz ZCUPLLSEXPCWQC-UHFFFAOYSA-N 1 2 395.135 3.758 20 10 GHCDLO CC(C)(C)C[N@@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000775682496 872814453 /nfs/dbraw/zinc/81/44/53/872814453.db2.gz ZCUPLLSEXPCWQC-UHFFFAOYSA-N 1 2 395.135 3.758 20 10 GHCDLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2cc(Br)cc(C)c2O)n1 ZINC000775723863 873169827 /nfs/dbraw/zinc/16/98/27/873169827.db2.gz DPLCJVSJZNNROJ-LLVKDONJSA-N 1 2 384.274 3.576 20 10 GHCDLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(Br)cc(C)c2O)n1 ZINC000775723863 873169835 /nfs/dbraw/zinc/16/98/35/873169835.db2.gz DPLCJVSJZNNROJ-LLVKDONJSA-N 1 2 384.274 3.576 20 10 GHCDLO O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000769148542 873847859 /nfs/dbraw/zinc/84/78/59/873847859.db2.gz NMPNZRMDAWRUPM-UHFFFAOYSA-N 1 2 383.250 3.796 20 10 GHCDLO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)c1 ZINC000769475148 874095830 /nfs/dbraw/zinc/09/58/30/874095830.db2.gz UNKUILLWJFDUAW-UHFFFAOYSA-N 1 2 386.473 3.557 20 10 GHCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000769513342 874121129 /nfs/dbraw/zinc/12/11/29/874121129.db2.gz BHARLLVKDCDKNH-YWZLYKJASA-N 1 2 376.497 3.686 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000769513342 874121131 /nfs/dbraw/zinc/12/11/31/874121131.db2.gz BHARLLVKDCDKNH-YWZLYKJASA-N 1 2 376.497 3.686 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(OC)c3Cl)CC2)cc1F ZINC000770308028 874588387 /nfs/dbraw/zinc/58/83/87/874588387.db2.gz XLDFALZABQXGEM-UHFFFAOYSA-N 1 2 394.874 3.827 20 10 GHCDLO COc1cc(CNc2ccc[nH+]c2N2CCC(CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000850224702 876737136 /nfs/dbraw/zinc/73/71/36/876737136.db2.gz XXTHMISYOMQFIV-UHFFFAOYSA-N 1 2 399.535 3.914 20 10 GHCDLO C[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)cc(F)c1O ZINC000850500311 876974277 /nfs/dbraw/zinc/97/42/77/876974277.db2.gz FSVGWMAYCYPFSH-BONVTDFDSA-N 1 2 393.256 3.532 20 10 GHCDLO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000850500441 876975416 /nfs/dbraw/zinc/97/54/16/876975416.db2.gz DGOFEQOVDMOLNH-NLZNIHBBSA-N 1 2 390.293 3.511 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cc(Br)c(F)cc1O ZINC000850501268 876976771 /nfs/dbraw/zinc/97/67/71/876976771.db2.gz LOECYSLEVFONHJ-ZKQOYNAGSA-N 1 2 378.307 3.634 20 10 GHCDLO C[N@H+](Cc1cccc(Br)c1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000093385555 912234895 /nfs/dbraw/zinc/23/48/95/912234895.db2.gz IORQWUJZXMXSRB-INIZCTEOSA-N 1 2 393.256 3.531 20 10 GHCDLO C[N@@H+](Cc1cccc(Br)c1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000093385555 912234908 /nfs/dbraw/zinc/23/49/08/912234908.db2.gz IORQWUJZXMXSRB-INIZCTEOSA-N 1 2 393.256 3.531 20 10 GHCDLO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)c1 ZINC000789773401 879288301 /nfs/dbraw/zinc/28/83/01/879288301.db2.gz HTRGTILJEHMGTG-UHFFFAOYSA-N 1 2 396.512 3.964 20 10 GHCDLO C[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)[C@@H]1CO ZINC001203565211 912465297 /nfs/dbraw/zinc/46/52/97/912465297.db2.gz WMERWMXRGZTOJX-TVQRCGJNSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)[C@@H]1CO ZINC001203565211 912465309 /nfs/dbraw/zinc/46/53/09/912465309.db2.gz WMERWMXRGZTOJX-TVQRCGJNSA-N 1 2 393.119 3.510 20 10 GHCDLO CC[C@]1([NH2+]Cc2cc(Br)cc(Br)c2O)CCOC1 ZINC000792192500 880980302 /nfs/dbraw/zinc/98/03/02/880980302.db2.gz LBMCHBFOLNPIIO-ZDUSSCGKSA-N 1 2 379.092 3.576 20 10 GHCDLO CC[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(Cl)c1O ZINC000806139651 884384498 /nfs/dbraw/zinc/38/44/98/884384498.db2.gz CDYXHYXFSXONRG-DZFGPLHGSA-N 1 2 388.939 3.969 20 10 GHCDLO CC[C@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1O ZINC000806140309 884399764 /nfs/dbraw/zinc/39/97/64/884399764.db2.gz JFIUAPBWXDFWHU-LPHOPBHVSA-N 1 2 388.943 3.692 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001142520596 884479439 /nfs/dbraw/zinc/47/94/39/884479439.db2.gz LZWIAAAMDSLDCQ-HRAATJIYSA-N 1 2 390.430 3.516 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001142520596 884479443 /nfs/dbraw/zinc/47/94/43/884479443.db2.gz LZWIAAAMDSLDCQ-HRAATJIYSA-N 1 2 390.430 3.516 20 10 GHCDLO C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)[N@@H+]1CCc2ccccc2C1 ZINC000807837365 885802599 /nfs/dbraw/zinc/80/25/99/885802599.db2.gz MXRCGTVSRNAKKE-GFCCVEGCSA-N 1 2 379.287 3.762 20 10 GHCDLO C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)[N@H+]1CCc2ccccc2C1 ZINC000807837365 885802607 /nfs/dbraw/zinc/80/26/07/885802607.db2.gz MXRCGTVSRNAKKE-GFCCVEGCSA-N 1 2 379.287 3.762 20 10 GHCDLO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc(Br)c3O)c2c1 ZINC000808452801 886364886 /nfs/dbraw/zinc/36/48/86/886364886.db2.gz QWVSFYFFSIRELF-UHFFFAOYSA-N 1 2 390.237 3.877 20 10 GHCDLO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc(Br)cc(F)c3O)[C@H]2C1 ZINC000808723721 886708311 /nfs/dbraw/zinc/70/83/11/886708311.db2.gz PZCXHNQHKJUXQP-GMFKEAJXSA-N 1 2 399.304 3.591 20 10 GHCDLO COc1cc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c(O)c(C(C)(C)C)c1 ZINC000915801726 887460735 /nfs/dbraw/zinc/46/07/35/887460735.db2.gz DFCFYWONIJRBDZ-UHFFFAOYSA-N 1 2 381.476 3.979 20 10 GHCDLO COc1cc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c(O)c(C(C)(C)C)c1 ZINC000915801726 887460740 /nfs/dbraw/zinc/46/07/40/887460740.db2.gz DFCFYWONIJRBDZ-UHFFFAOYSA-N 1 2 381.476 3.979 20 10 GHCDLO COCc1nc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)cs1 ZINC000810253321 888356511 /nfs/dbraw/zinc/35/65/11/888356511.db2.gz QVKKPCPULCNNMG-QMMMGPOBSA-N 1 2 375.263 3.748 20 10 GHCDLO CC(C)([NH2+]Cc1cccc(Br)c1O)c1cn(-c2ccccc2)nn1 ZINC000154018126 889049588 /nfs/dbraw/zinc/04/95/88/889049588.db2.gz IXCPXAPEWNIDGE-UHFFFAOYSA-N 1 2 387.281 3.760 20 10 GHCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000916578610 889157227 /nfs/dbraw/zinc/15/72/27/889157227.db2.gz NSDARMUBHOTUHQ-UHFFFAOYSA-N 1 2 395.551 3.594 20 10 GHCDLO C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cc(Br)cc(F)c1O ZINC000812737977 890919566 /nfs/dbraw/zinc/91/95/66/890919566.db2.gz UXLKVOJPXUYCGC-SNVBAGLBSA-N 1 2 382.277 3.757 20 10 GHCDLO CCO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cs1 ZINC000076721239 891535449 /nfs/dbraw/zinc/53/54/49/891535449.db2.gz SJYLILIFKJLPQD-MRXNPFEDSA-N 1 2 375.538 3.962 20 10 GHCDLO CCO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)cs1 ZINC000076721239 891535463 /nfs/dbraw/zinc/53/54/63/891535463.db2.gz SJYLILIFKJLPQD-MRXNPFEDSA-N 1 2 375.538 3.962 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000747861559 891817607 /nfs/dbraw/zinc/81/76/07/891817607.db2.gz OCYBJKNLBKLFIG-UHFFFAOYSA-N 1 2 384.524 3.895 20 10 GHCDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000124704160 891854640 /nfs/dbraw/zinc/85/46/40/891854640.db2.gz ZSBZMQKPGGVLRS-GOSISDBHSA-N 1 2 396.560 3.713 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)cc2)CC1 ZINC000874445643 892131925 /nfs/dbraw/zinc/13/19/25/892131925.db2.gz DTYPOIOAXJUCLQ-GOSISDBHSA-N 1 2 394.441 3.929 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000774833252 913689382 /nfs/dbraw/zinc/68/93/82/913689382.db2.gz NEKABRXMOWMNQT-INIZCTEOSA-N 1 2 378.812 3.536 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000774833252 913689388 /nfs/dbraw/zinc/68/93/88/913689388.db2.gz NEKABRXMOWMNQT-INIZCTEOSA-N 1 2 378.812 3.536 20 10 GHCDLO Cc1cc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)ccc1N(C)C ZINC000933320055 893004803 /nfs/dbraw/zinc/00/48/03/893004803.db2.gz MTSGYRISZDAJRY-UHFFFAOYSA-N 1 2 375.314 3.783 20 10 GHCDLO COc1c(C)c[nH+]c(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000747987192 893327899 /nfs/dbraw/zinc/32/78/99/893327899.db2.gz JJVJVCGKGBUXDH-UHFFFAOYSA-N 1 2 382.508 3.647 20 10 GHCDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(F)c(F)c3O)CC2)cs1 ZINC000876806175 893337896 /nfs/dbraw/zinc/33/78/96/893337896.db2.gz LZRAUSJGEDWOBS-ZDUSSCGKSA-N 1 2 397.491 3.542 20 10 GHCDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(F)c(F)c3O)CC2)cs1 ZINC000876806175 893337916 /nfs/dbraw/zinc/33/79/16/893337916.db2.gz LZRAUSJGEDWOBS-ZDUSSCGKSA-N 1 2 397.491 3.542 20 10 GHCDLO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000817414508 895590963 /nfs/dbraw/zinc/59/09/63/895590963.db2.gz GTJFEQBIDGETBD-NWDGAFQWSA-N 1 2 393.119 3.964 20 10 GHCDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000042289872 897398844 /nfs/dbraw/zinc/39/88/44/897398844.db2.gz AKFGIVMKYAQCPU-GOSISDBHSA-N 1 2 395.547 3.969 20 10 GHCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824114268 899417418 /nfs/dbraw/zinc/41/74/18/899417418.db2.gz RIEFJQYNRWJMCR-UYAOXDASSA-N 1 2 388.533 3.537 20 10 GHCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824114268 899417423 /nfs/dbraw/zinc/41/74/23/899417423.db2.gz RIEFJQYNRWJMCR-UYAOXDASSA-N 1 2 388.533 3.537 20 10 GHCDLO COc1ccc(N2CCC[N@H+](Cc3c(F)cncc3Br)CC2)cc1 ZINC000824605987 899717673 /nfs/dbraw/zinc/71/76/73/899717673.db2.gz NQXOEQQBCCMURM-UHFFFAOYSA-N 1 2 394.288 3.704 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](Cc3c(F)cncc3Br)CC2)cc1 ZINC000824605987 899717679 /nfs/dbraw/zinc/71/76/79/899717679.db2.gz NQXOEQQBCCMURM-UHFFFAOYSA-N 1 2 394.288 3.704 20 10 GHCDLO COc1cccc2c(NCc3ccc(N4CCC(C(N)=O)CC4)cc3)cc[nH+]c12 ZINC000884693754 900235975 /nfs/dbraw/zinc/23/59/75/900235975.db2.gz NJAANARBHBALNM-UHFFFAOYSA-N 1 2 390.487 3.557 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc(Br)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC001144299571 901649214 /nfs/dbraw/zinc/64/92/14/901649214.db2.gz AOYJANPMXXZKHW-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(Br)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC001144299571 901649221 /nfs/dbraw/zinc/64/92/21/901649221.db2.gz AOYJANPMXXZKHW-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2O)C[C@H](C)O1 ZINC000047570138 902156727 /nfs/dbraw/zinc/15/67/27/902156727.db2.gz JIQBEEFTKZQEMC-IRXDYDNUSA-N 1 2 383.492 3.665 20 10 GHCDLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000773136098 904466299 /nfs/dbraw/zinc/46/62/99/904466299.db2.gz FRAUTRGONZXXJN-UONOGXRCSA-N 1 2 377.920 3.830 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)c1O ZINC000177108887 906039703 /nfs/dbraw/zinc/03/97/03/906039703.db2.gz GFYQVHVBOXPXFB-UHFFFAOYSA-N 1 2 390.867 3.544 20 10 GHCDLO COc1cc(OC)cc([C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)c2nccn2C)c1 ZINC000184960596 907687750 /nfs/dbraw/zinc/68/77/50/907687750.db2.gz DKDWFOQWNMHDKO-RNODOKPDSA-N 1 2 385.439 3.722 20 10 GHCDLO O=C([C@H]1CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2)N1CCCCC1 ZINC000779604102 907859814 /nfs/dbraw/zinc/85/98/14/907859814.db2.gz GFEDLMZSGXZUAC-MRXNPFEDSA-N 1 2 380.891 3.799 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(N2CCOCC2)c(F)c1 ZINC000186820995 907990913 /nfs/dbraw/zinc/99/09/13/907990913.db2.gz ILTYAZCRIFVGDM-HNNXBMFYSA-N 1 2 391.487 3.816 20 10 GHCDLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Cl)cc(Br)c1O ZINC001180172855 909974251 /nfs/dbraw/zinc/97/42/51/909974251.db2.gz BVUDHLMMFSZNQP-UHFFFAOYSA-N 1 2 383.673 3.539 20 10 GHCDLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Cl)cc(Br)c1O ZINC001180172855 909974258 /nfs/dbraw/zinc/97/42/58/909974258.db2.gz BVUDHLMMFSZNQP-UHFFFAOYSA-N 1 2 383.673 3.539 20 10 GHCDLO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)c1O ZINC000290999530 914906645 /nfs/dbraw/zinc/90/66/45/914906645.db2.gz VVWDVQNSSSUEKB-NSHDSACASA-N 1 2 384.274 3.622 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1cc(Br)cc(F)c1O ZINC000903339734 922941324 /nfs/dbraw/zinc/94/13/24/922941324.db2.gz CEAUAGZJWXMZJE-ZETCQYMHSA-N 1 2 396.182 3.897 20 10 GHCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000389853322 926389459 /nfs/dbraw/zinc/38/94/59/926389459.db2.gz XWNFWMJOOFRNHB-IUODEOHRSA-N 1 2 399.329 3.890 20 10 GHCDLO Cc1cc(CC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC000834559463 1021270763 /nfs/dbraw/zinc/27/07/63/1021270763.db2.gz JNZVGLYJZDHVHY-IBGZPJMESA-N 1 2 376.504 3.776 20 10 GHCDLO O=C1OC[C@@H](c2ccccc2)N1C1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583113 1022004292 /nfs/dbraw/zinc/00/42/92/1022004292.db2.gz WKUGULTYVOSPNA-IBGZPJMESA-N 1 2 388.414 3.828 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc(Br)cc(F)c1O ZINC000756350774 1023601255 /nfs/dbraw/zinc/60/12/55/1023601255.db2.gz FTKVVEBBSNHHEE-PWSUYJOCSA-N 1 2 382.229 3.784 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cc(F)cc(F)c1O ZINC000756430229 1023643946 /nfs/dbraw/zinc/64/39/46/1023643946.db2.gz JXEBGKMSPGRTOJ-QWHCGFSZSA-N 1 2 390.430 3.740 20 10 GHCDLO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)c(F)cc2O)c1 ZINC000756460394 1023664013 /nfs/dbraw/zinc/66/40/13/1023664013.db2.gz PPJZNDQSXUIFCS-GFCCVEGCSA-N 1 2 395.272 3.683 20 10 GHCDLO C[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccc(F)cc1O ZINC000756643560 1023751389 /nfs/dbraw/zinc/75/13/89/1023751389.db2.gz VXEBXRFJWWHFQZ-ZDUSSCGKSA-N 1 2 385.464 3.769 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Br)c(F)cc1O ZINC000756757086 1023802517 /nfs/dbraw/zinc/80/25/17/1023802517.db2.gz BRMGPQQLNLTSGY-LYOVBCGYSA-N 1 2 390.318 3.999 20 10 GHCDLO COc1cc(Cl)cc(C[NH+]2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC001204915807 1033164270 /nfs/dbraw/zinc/16/42/70/1033164270.db2.gz MBOPHLMULXJFED-STQMWFEESA-N 1 2 384.904 3.884 20 10 GHCDLO Cc1ccccc1C[NH+]1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC001205087575 1033244329 /nfs/dbraw/zinc/24/43/29/1033244329.db2.gz CYZKLPJYHHXRPS-UHFFFAOYSA-N 1 2 393.300 3.920 20 10 GHCDLO CCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)cc1 ZINC001461044699 1069356454 /nfs/dbraw/zinc/35/64/54/1069356454.db2.gz OINGGXBJJNRGIC-UHFFFAOYSA-N 1 2 397.700 3.848 20 10 GHCDLO COc1cccc(O[C@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139129363 1025941514 /nfs/dbraw/zinc/94/15/14/1025941514.db2.gz XFIOVKGDYYJBBH-SFHVURJKSA-N 1 2 395.455 3.859 20 10 GHCDLO COc1cccc(O[C@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139129363 1025941519 /nfs/dbraw/zinc/94/15/19/1025941519.db2.gz XFIOVKGDYYJBBH-SFHVURJKSA-N 1 2 395.455 3.859 20 10 GHCDLO CC(=O)C1(c2ccccc2)CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139129386 1025942047 /nfs/dbraw/zinc/94/20/47/1025942047.db2.gz XTQZQVCOGURMOP-UHFFFAOYSA-N 1 2 391.467 3.930 20 10 GHCDLO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139133850 1025946717 /nfs/dbraw/zinc/94/67/17/1025946717.db2.gz TZSAQJJHANPCMA-MRXNPFEDSA-N 1 2 380.444 3.554 20 10 GHCDLO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139133850 1025946718 /nfs/dbraw/zinc/94/67/18/1025946718.db2.gz TZSAQJJHANPCMA-MRXNPFEDSA-N 1 2 380.444 3.554 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001203698099 1027541343 /nfs/dbraw/zinc/54/13/43/1027541343.db2.gz GHAOBLLVIXNMSG-AWEZNQCLSA-N 1 2 388.664 3.640 20 10 GHCDLO C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203883414 1027678428 /nfs/dbraw/zinc/67/84/28/1027678428.db2.gz KPWPZJIVOXWLQC-CQSZACIVSA-N 1 2 391.309 3.739 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461280207 1069478561 /nfs/dbraw/zinc/47/85/61/1069478561.db2.gz IEKQRMNEMJPHPY-UXHICEINSA-N 1 2 392.902 3.954 20 10 GHCDLO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)cc(F)c1O ZINC001276881061 1030523641 /nfs/dbraw/zinc/52/36/41/1030523641.db2.gz GPEZZESEXATNBV-HFBAOOFYSA-N 1 2 399.304 3.658 20 10 GHCDLO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)cc(F)c1O ZINC001276881061 1030523649 /nfs/dbraw/zinc/52/36/49/1030523649.db2.gz GPEZZESEXATNBV-HFBAOOFYSA-N 1 2 399.304 3.658 20 10 GHCDLO C[C@@H]1CC[NH2+]CC[C@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001218021270 1030727660 /nfs/dbraw/zinc/72/76/60/1030727660.db2.gz ASXDBDPMUBSYFG-CXAGYDPISA-N 1 2 381.428 3.638 20 10 GHCDLO Nc1ccc(N(C(=O)[C@H]2C[NH2+]CC(F)(F)C2)c2ccc3ccccc3c2N)cc1 ZINC001219471864 1031443599 /nfs/dbraw/zinc/44/35/99/1031443599.db2.gz VXBARUGYMPSQBY-OAHLLOKOSA-N 1 2 396.441 3.914 20 10 GHCDLO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 ZINC001205876769 1033617846 /nfs/dbraw/zinc/61/78/46/1033617846.db2.gz WGSGHPBBQDGWGC-TUYSUELWSA-N 1 2 383.483 3.904 20 10 GHCDLO CN(C)c1ccc(/C=C\C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 ZINC001205876767 1033618000 /nfs/dbraw/zinc/61/80/00/1033618000.db2.gz WGSGHPBBQDGWGC-JTGQJZMRSA-N 1 2 383.483 3.904 20 10 GHCDLO CC[NH+](CC)C[C@H](C)Oc1c(O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229700081 1033650030 /nfs/dbraw/zinc/65/00/30/1033650030.db2.gz PQZGPTCFKKZQJX-ZDUSSCGKSA-N 1 2 399.443 3.686 20 10 GHCDLO COc1cccnc1C[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001206674987 1033939613 /nfs/dbraw/zinc/93/96/13/1033939613.db2.gz YWFFNKDCXDMVMP-UHFFFAOYSA-N 1 2 389.499 3.991 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1CN1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001231470313 1034615890 /nfs/dbraw/zinc/61/58/90/1034615890.db2.gz UIIUHSQKNJTZPO-UHFFFAOYSA-N 1 2 388.458 3.887 20 10 GHCDLO CCn1nnc2c1CC[N@H+](Cc1cccc(C)c1O)[C@@H]2COCc1ccccc1 ZINC001231591699 1034745875 /nfs/dbraw/zinc/74/58/75/1034745875.db2.gz HJAHUNJUYWKSAL-OAQYLSRUSA-N 1 2 392.503 3.628 20 10 GHCDLO CCn1nnc2c1CC[N@@H+](Cc1cccc(C)c1O)[C@@H]2COCc1ccccc1 ZINC001231591699 1034745886 /nfs/dbraw/zinc/74/58/86/1034745886.db2.gz HJAHUNJUYWKSAL-OAQYLSRUSA-N 1 2 392.503 3.628 20 10 GHCDLO COCC[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231914403 1034987829 /nfs/dbraw/zinc/98/78/29/1034987829.db2.gz LDCBKXVGDMQLNM-INIZCTEOSA-N 1 2 398.931 3.894 20 10 GHCDLO COCC[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231914403 1034987834 /nfs/dbraw/zinc/98/78/34/1034987834.db2.gz LDCBKXVGDMQLNM-INIZCTEOSA-N 1 2 398.931 3.894 20 10 GHCDLO C[C@@H]1C[NH+](Cc2ccc(Br)cc2O)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001461987050 1069930275 /nfs/dbraw/zinc/93/02/75/1069930275.db2.gz OFIKHWPMMYZGBG-CHWSQXEVSA-N 1 2 399.329 3.984 20 10 GHCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1Cl ZINC001232257945 1037979913 /nfs/dbraw/zinc/97/99/13/1037979913.db2.gz NDYCJYSAJLPSIH-PWIZWCRZSA-N 1 2 381.900 3.690 20 10 GHCDLO Oc1cc(O)c(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1Cl ZINC001232257945 1037979917 /nfs/dbraw/zinc/97/99/17/1037979917.db2.gz NDYCJYSAJLPSIH-PWIZWCRZSA-N 1 2 381.900 3.690 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1sc(Br)c3c1OCCO3)CC2 ZINC001232816300 1038571158 /nfs/dbraw/zinc/57/11/58/1038571158.db2.gz WHTIXIBYXUXKDR-UHFFFAOYSA-N 1 2 382.279 3.546 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1sc(Br)c3c1OCCO3)CC2 ZINC001232816300 1038571162 /nfs/dbraw/zinc/57/11/62/1038571162.db2.gz WHTIXIBYXUXKDR-UHFFFAOYSA-N 1 2 382.279 3.546 20 10 GHCDLO CCc1nnc(C2CC[NH+](Cc3c(O)cc(Br)cc3F)CC2)o1 ZINC001233029188 1038780777 /nfs/dbraw/zinc/78/07/77/1038780777.db2.gz AYQZHIIHBLARFC-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO OC[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC(F)(F)C1 ZINC001233193932 1038960236 /nfs/dbraw/zinc/96/02/36/1038960236.db2.gz IQZFUISBVFDGKK-NSHDSACASA-N 1 2 386.236 3.757 20 10 GHCDLO OC[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC(F)(F)C1 ZINC001233193932 1038960240 /nfs/dbraw/zinc/96/02/40/1038960240.db2.gz IQZFUISBVFDGKK-NSHDSACASA-N 1 2 386.236 3.757 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001233283910 1039058120 /nfs/dbraw/zinc/05/81/20/1039058120.db2.gz AOHNZNAKJFASEK-MJGOQNOKSA-N 1 2 390.524 3.510 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001233283910 1039058138 /nfs/dbraw/zinc/05/81/38/1039058138.db2.gz AOHNZNAKJFASEK-MJGOQNOKSA-N 1 2 390.524 3.510 20 10 GHCDLO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)c1 ZINC001233285669 1039062852 /nfs/dbraw/zinc/06/28/52/1039062852.db2.gz PKBKDTMGWHPUCZ-UHFFFAOYSA-N 1 2 379.508 3.537 20 10 GHCDLO CC(C)(C)c1ccc(O)c(C[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)c1 ZINC001233285669 1039062868 /nfs/dbraw/zinc/06/28/68/1039062868.db2.gz PKBKDTMGWHPUCZ-UHFFFAOYSA-N 1 2 379.508 3.537 20 10 GHCDLO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC001233289663 1039071955 /nfs/dbraw/zinc/07/19/55/1039071955.db2.gz GOBICGMNKMOYCM-OAHLLOKOSA-N 1 2 384.904 3.886 20 10 GHCDLO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC001233289663 1039071970 /nfs/dbraw/zinc/07/19/70/1039071970.db2.gz GOBICGMNKMOYCM-OAHLLOKOSA-N 1 2 384.904 3.886 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H](F)C1 ZINC001233452249 1039334596 /nfs/dbraw/zinc/33/45/96/1039334596.db2.gz OYOITBNWSNQTTC-CQSZACIVSA-N 1 2 392.393 3.802 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H](F)C1 ZINC001233452249 1039334609 /nfs/dbraw/zinc/33/46/09/1039334609.db2.gz OYOITBNWSNQTTC-CQSZACIVSA-N 1 2 392.393 3.802 20 10 GHCDLO CC(C)n1nc(CN(C)C)c2c1C[N@H+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233453010 1039337655 /nfs/dbraw/zinc/33/76/55/1039337655.db2.gz RFBVWRMQINGJHP-UHFFFAOYSA-N 1 2 396.457 3.808 20 10 GHCDLO CC(C)n1nc(CN(C)C)c2c1C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233453010 1039337673 /nfs/dbraw/zinc/33/76/73/1039337673.db2.gz RFBVWRMQINGJHP-UHFFFAOYSA-N 1 2 396.457 3.808 20 10 GHCDLO CO[C@H](C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1)c1ccccc1 ZINC001233454739 1039343063 /nfs/dbraw/zinc/34/30/63/1039343063.db2.gz IRJXMVDETMOZRB-HXUWFJFHSA-N 1 2 394.437 3.916 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001235297542 1040768601 /nfs/dbraw/zinc/76/86/01/1040768601.db2.gz NAPMQXCKNRVOPM-UHFFFAOYSA-N 1 2 394.284 3.863 20 10 GHCDLO CC(C)OCC[NH+](CCOC(C)C)Cc1cc(F)cc(Br)c1O ZINC001235300803 1040771269 /nfs/dbraw/zinc/77/12/69/1040771269.db2.gz BVJYWNVKXVNCLF-UHFFFAOYSA-N 1 2 392.309 3.946 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001235299914 1040771994 /nfs/dbraw/zinc/77/19/94/1040771994.db2.gz WGVDPDQTWAPERA-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001235299914 1040772012 /nfs/dbraw/zinc/77/20/12/1040772012.db2.gz WGVDPDQTWAPERA-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO CC1(C(=O)N2CCCC2)CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235304553 1040777813 /nfs/dbraw/zinc/77/78/13/1040777813.db2.gz ZGYPOUBRPBBLRR-UHFFFAOYSA-N 1 2 399.304 3.518 20 10 GHCDLO Oc1cccc(Br)c1C[N@@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235791895 1041285440 /nfs/dbraw/zinc/28/54/40/1041285440.db2.gz LGPJDRBYRWDCCJ-INIZCTEOSA-N 1 2 381.701 3.955 20 10 GHCDLO Oc1cccc(Br)c1C[N@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235791895 1041285454 /nfs/dbraw/zinc/28/54/54/1041285454.db2.gz LGPJDRBYRWDCCJ-INIZCTEOSA-N 1 2 381.701 3.955 20 10 GHCDLO Cc1ccc(C)c(N2CC[NH+](Cc3cc(O)c(Br)cc3O)CC2)c1 ZINC001236773224 1041883289 /nfs/dbraw/zinc/88/32/89/1041883289.db2.gz QBVJUMYTJZCLAI-UHFFFAOYSA-N 1 2 391.309 3.799 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001236791961 1041897208 /nfs/dbraw/zinc/89/72/08/1041897208.db2.gz CQINZJUDANBPCU-AYBZRNKSSA-N 1 2 395.286 3.905 20 10 GHCDLO COc1ccc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)c(O)c1Cl ZINC001236806945 1041908069 /nfs/dbraw/zinc/90/80/69/1041908069.db2.gz LCHYRQMKSMHRII-UHFFFAOYSA-N 1 2 384.263 3.541 20 10 GHCDLO COc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(OC)c(Cl)c3O)C2)nc1 ZINC001236810598 1041910377 /nfs/dbraw/zinc/91/03/77/1041910377.db2.gz VCKLOOAAGZZGHR-HNNXBMFYSA-N 1 2 378.856 3.501 20 10 GHCDLO COc1ccc(C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)c(O)c1Cl ZINC001236811741 1041911501 /nfs/dbraw/zinc/91/15/01/1041911501.db2.gz NSSLWJUCDVOQQM-UHFFFAOYSA-N 1 2 391.777 3.836 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(O)c1Cl ZINC001236812171 1041912251 /nfs/dbraw/zinc/91/22/51/1041912251.db2.gz SLJUPPAHUDSFGI-ZFWWWQNUSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(O)c1Cl ZINC001236812171 1041912252 /nfs/dbraw/zinc/91/22/52/1041912252.db2.gz SLJUPPAHUDSFGI-ZFWWWQNUSA-N 1 2 396.915 3.743 20 10 GHCDLO Fc1ccccc1N1CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236923415 1041960772 /nfs/dbraw/zinc/96/07/72/1041960772.db2.gz XMKWLHBWEYHNFT-UHFFFAOYSA-N 1 2 389.902 3.638 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@H]1F ZINC001237137096 1042059345 /nfs/dbraw/zinc/05/93/45/1042059345.db2.gz LRXNSHVTSWHQFG-ZIAGYGMSSA-N 1 2 392.393 3.848 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@H]1F ZINC001237137096 1042059348 /nfs/dbraw/zinc/05/93/48/1042059348.db2.gz LRXNSHVTSWHQFG-ZIAGYGMSSA-N 1 2 392.393 3.848 20 10 GHCDLO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237617939 1042284069 /nfs/dbraw/zinc/28/40/69/1042284069.db2.gz VHEADPOMHHSRLQ-UHFFFAOYSA-N 1 2 377.843 3.849 20 10 GHCDLO CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237617939 1042284073 /nfs/dbraw/zinc/28/40/73/1042284073.db2.gz VHEADPOMHHSRLQ-UHFFFAOYSA-N 1 2 377.843 3.849 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237618990 1042286630 /nfs/dbraw/zinc/28/66/30/1042286630.db2.gz LQIKLKSJLBWAIH-MLGOLLRUSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237618990 1042286640 /nfs/dbraw/zinc/28/66/40/1042286640.db2.gz LQIKLKSJLBWAIH-MLGOLLRUSA-N 1 2 381.904 3.738 20 10 GHCDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237624650 1042290813 /nfs/dbraw/zinc/29/08/13/1042290813.db2.gz XRIUKUQZPVSRQM-IBGZPJMESA-N 1 2 392.902 3.908 20 10 GHCDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237624650 1042290817 /nfs/dbraw/zinc/29/08/17/1042290817.db2.gz XRIUKUQZPVSRQM-IBGZPJMESA-N 1 2 392.902 3.908 20 10 GHCDLO CCn1nnc2c1CC[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)[C@@H]2COC ZINC001237645284 1042300751 /nfs/dbraw/zinc/30/07/51/1042300751.db2.gz JVPRYYIVOZYTFE-HXUWFJFHSA-N 1 2 396.466 3.556 20 10 GHCDLO CCn1nnc2c1CC[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)[C@@H]2COC ZINC001237645284 1042300760 /nfs/dbraw/zinc/30/07/60/1042300760.db2.gz JVPRYYIVOZYTFE-HXUWFJFHSA-N 1 2 396.466 3.556 20 10 GHCDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237648391 1042300861 /nfs/dbraw/zinc/30/08/61/1042300861.db2.gz BFTLVKNIPHAAKL-GOSISDBHSA-N 1 2 375.465 3.679 20 10 GHCDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237648391 1042300864 /nfs/dbraw/zinc/30/08/64/1042300864.db2.gz BFTLVKNIPHAAKL-GOSISDBHSA-N 1 2 375.465 3.679 20 10 GHCDLO COC[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)Cc2nn(CC3CC3)cc21 ZINC001237680021 1042322021 /nfs/dbraw/zinc/32/20/21/1042322021.db2.gz NZHIRLJNLDULDV-MRXNPFEDSA-N 1 2 375.900 3.706 20 10 GHCDLO COC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)Cc2nn(CC3CC3)cc21 ZINC001237680021 1042322025 /nfs/dbraw/zinc/32/20/25/1042322025.db2.gz NZHIRLJNLDULDV-MRXNPFEDSA-N 1 2 375.900 3.706 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1Br ZINC001237682540 1042323481 /nfs/dbraw/zinc/32/34/81/1042323481.db2.gz YJUDLWDIVCHCKX-UHFFFAOYSA-N 1 2 397.313 3.516 20 10 GHCDLO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237784156 1042367540 /nfs/dbraw/zinc/36/75/40/1042367540.db2.gz RHLZHWLDNWZTLK-UWVGGRQHSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237784156 1042367543 /nfs/dbraw/zinc/36/75/43/1042367543.db2.gz RHLZHWLDNWZTLK-UWVGGRQHSA-N 1 2 382.220 3.766 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237802134 1042378526 /nfs/dbraw/zinc/37/85/26/1042378526.db2.gz LBQRQCKBOPLEMR-CYBMUJFWSA-N 1 2 378.806 3.554 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237802134 1042378533 /nfs/dbraw/zinc/37/85/33/1042378533.db2.gz LBQRQCKBOPLEMR-CYBMUJFWSA-N 1 2 378.806 3.554 20 10 GHCDLO Cc1cc(F)cc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)c1O ZINC001238059590 1042478272 /nfs/dbraw/zinc/47/82/72/1042478272.db2.gz AOMIYNQUPDBRFO-LJQANCHMSA-N 1 2 399.510 3.972 20 10 GHCDLO Cc1cc(F)cc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)c1O ZINC001238059590 1042478274 /nfs/dbraw/zinc/47/82/74/1042478274.db2.gz AOMIYNQUPDBRFO-LJQANCHMSA-N 1 2 399.510 3.972 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC001308370618 1049960896 /nfs/dbraw/zinc/96/08/96/1049960896.db2.gz PUBMJKKHIBNIQL-QGZVFWFLSA-N 1 2 380.916 3.892 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C)C[C@H]2Cc2ccccc2)c1 ZINC001308848956 1050122831 /nfs/dbraw/zinc/12/28/31/1050122831.db2.gz KKHRUTYFSCXRLP-GOSISDBHSA-N 1 2 389.337 3.822 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@H+](C)C[C@H]2Cc2ccccc2)c1 ZINC001308848956 1050122832 /nfs/dbraw/zinc/12/28/32/1050122832.db2.gz KKHRUTYFSCXRLP-GOSISDBHSA-N 1 2 389.337 3.822 20 10 GHCDLO O=C(Nc1cccc(N2CCCC2)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001355130931 1057058452 /nfs/dbraw/zinc/05/84/52/1057058452.db2.gz QMEDDSWDWLRTES-UHFFFAOYSA-N 1 2 377.404 3.633 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C ZINC001351376960 1064414811 /nfs/dbraw/zinc/41/48/11/1064414811.db2.gz YBXXIYURQWDWCS-IBGZPJMESA-N 1 2 390.487 3.958 20 10 GHCDLO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)[C@@H](C(N)=O)C1 ZINC001474466028 1074419119 /nfs/dbraw/zinc/41/91/19/1074419119.db2.gz FSSJITIGTNJQFT-KBXCAEBGSA-N 1 2 394.357 3.525 20 10 GHCDLO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)[C@@H](C(N)=O)C1 ZINC001474466028 1074419123 /nfs/dbraw/zinc/41/91/23/1074419123.db2.gz FSSJITIGTNJQFT-KBXCAEBGSA-N 1 2 394.357 3.525 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000006976480 836899046 /nfs/dbraw/zinc/89/90/46/836899046.db2.gz UANROMKNHQBKMN-UHFFFAOYSA-N 1 2 380.319 3.808 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000006976480 836899053 /nfs/dbraw/zinc/89/90/53/836899053.db2.gz UANROMKNHQBKMN-UHFFFAOYSA-N 1 2 380.319 3.808 20 10 GHCDLO CC(C)c1nnc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000892620522 837202295 /nfs/dbraw/zinc/20/22/95/837202295.db2.gz BGHZVUCHEWDQGV-OKILXGFUSA-N 1 2 378.517 3.704 20 10 GHCDLO COC1CCN(C2(C[NH2+]Cc3cccc(Br)c3O)CCCC2)CC1 ZINC000730817732 861301464 /nfs/dbraw/zinc/30/14/64/861301464.db2.gz SUDYNPGADJSIBQ-UHFFFAOYSA-N 1 2 397.357 3.668 20 10 GHCDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCCOCCCc1cccc(C)[nH+]1 ZINC000120323657 848549459 /nfs/dbraw/zinc/54/94/59/848549459.db2.gz LKTKOCUPJSNNHY-UHFFFAOYSA-N 1 2 393.443 3.760 20 10 GHCDLO OCCC[N@H+](Cc1ccccn1)Cc1cc(Cl)cc(Br)c1O ZINC000894771155 852136874 /nfs/dbraw/zinc/13/68/74/852136874.db2.gz WFSZQPWSSRGXSA-UHFFFAOYSA-N 1 2 385.689 3.588 20 10 GHCDLO OCCC[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc(Br)c1O ZINC000894771155 852136878 /nfs/dbraw/zinc/13/68/78/852136878.db2.gz WFSZQPWSSRGXSA-UHFFFAOYSA-N 1 2 385.689 3.588 20 10 GHCDLO Cc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C)n1-c1ccccn1 ZINC000029091513 856451245 /nfs/dbraw/zinc/45/12/45/856451245.db2.gz BJKWJOCIXPRIHJ-UHFFFAOYSA-N 1 2 385.471 3.664 20 10 GHCDLO CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)O2 ZINC000896906999 863632664 /nfs/dbraw/zinc/63/26/64/863632664.db2.gz PFTAYQOZJNDTLL-CHWWFWEZSA-N 1 2 381.900 3.805 20 10 GHCDLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000172606579 863800591 /nfs/dbraw/zinc/80/05/91/863800591.db2.gz KIXTVOPCZUYFFH-UHFFFAOYSA-N 1 2 379.504 3.950 20 10 GHCDLO CC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000172606579 863800600 /nfs/dbraw/zinc/80/06/00/863800600.db2.gz KIXTVOPCZUYFFH-UHFFFAOYSA-N 1 2 379.504 3.950 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000734649416 864367698 /nfs/dbraw/zinc/36/76/98/864367698.db2.gz GCFQFNNWPGOVQU-SFHVURJKSA-N 1 2 396.535 3.776 20 10 GHCDLO CC[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1cc(Br)ccc1O ZINC000743874669 868471450 /nfs/dbraw/zinc/47/14/50/868471450.db2.gz YDWZWJVOHABPFD-UHFFFAOYSA-N 1 2 387.281 3.758 20 10 GHCDLO CC[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1cc(Br)ccc1O ZINC000743874669 868471455 /nfs/dbraw/zinc/47/14/55/868471455.db2.gz YDWZWJVOHABPFD-UHFFFAOYSA-N 1 2 387.281 3.758 20 10 GHCDLO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000793610816 882329173 /nfs/dbraw/zinc/32/91/73/882329173.db2.gz POTFCVKEWUYPRL-CJNGLKHVSA-N 1 2 392.293 3.665 20 10 GHCDLO COc1ccc(O)c(C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 ZINC000793616453 882334285 /nfs/dbraw/zinc/33/42/85/882334285.db2.gz VOZNTHNZDFLWMT-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO COc1ccc(O)c(C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 ZINC000793616453 882334299 /nfs/dbraw/zinc/33/42/99/882334299.db2.gz VOZNTHNZDFLWMT-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO CC[N@H+](CCC1CC1)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001193116884 870893702 /nfs/dbraw/zinc/89/37/02/870893702.db2.gz FLVRRPPASFQTGL-UHFFFAOYSA-N 1 2 376.456 3.523 20 10 GHCDLO CC[N@@H+](CCC1CC1)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001193116884 870893707 /nfs/dbraw/zinc/89/37/07/870893707.db2.gz FLVRRPPASFQTGL-UHFFFAOYSA-N 1 2 376.456 3.523 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168862562 870914995 /nfs/dbraw/zinc/91/49/95/870914995.db2.gz FSFDQNXSANORSG-JKSUJKDBSA-N 1 2 399.535 3.943 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168862562 870915002 /nfs/dbraw/zinc/91/50/02/870915002.db2.gz FSFDQNXSANORSG-JKSUJKDBSA-N 1 2 399.535 3.943 20 10 GHCDLO C[N@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCC(C)(C)C1 ZINC001194042058 871459680 /nfs/dbraw/zinc/45/96/80/871459680.db2.gz JTHXAYVDZCESNB-OAHLLOKOSA-N 1 2 390.483 3.911 20 10 GHCDLO C[N@@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCC(C)(C)C1 ZINC001194042058 871459690 /nfs/dbraw/zinc/45/96/90/871459690.db2.gz JTHXAYVDZCESNB-OAHLLOKOSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(Br)c(F)cc1O ZINC000857875581 882605540 /nfs/dbraw/zinc/60/55/40/882605540.db2.gz ULBJHERAQIVHBJ-DYZYQPBXSA-N 1 2 393.256 3.658 20 10 GHCDLO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000776252385 876033495 /nfs/dbraw/zinc/03/34/95/876033495.db2.gz SQSSNCXJZWUJDR-WBVHZDCISA-N 1 2 383.250 3.900 20 10 GHCDLO C[NH+]1CCN(c2ccc(NCc3ccccc3O)cc2Br)CC1 ZINC000786837052 876957301 /nfs/dbraw/zinc/95/73/01/876957301.db2.gz QVPKSUSYIUAWJP-UHFFFAOYSA-N 1 2 376.298 3.519 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)c(F)cc1O ZINC000850554690 877022157 /nfs/dbraw/zinc/02/21/57/877022157.db2.gz FLCZKIPSQAHILV-GHMZBOCLSA-N 1 2 387.293 3.591 20 10 GHCDLO CNC(=O)CC1CC[NH+](CC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC000746671022 877319120 /nfs/dbraw/zinc/31/91/20/877319120.db2.gz ZHWJSRHOVMYJOK-UHFFFAOYSA-N 1 2 395.547 3.742 20 10 GHCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787334343 877324542 /nfs/dbraw/zinc/32/45/42/877324542.db2.gz INCOETXVGXFVKZ-VMRPVKRXSA-N 1 2 391.475 3.626 20 10 GHCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787334343 877324557 /nfs/dbraw/zinc/32/45/57/877324557.db2.gz INCOETXVGXFVKZ-VMRPVKRXSA-N 1 2 391.475 3.626 20 10 GHCDLO CN1CCCc2cc(CNC(=O)Nc3nc(C[NH+]4CCCCC4)cs3)ccc21 ZINC000746705898 877547649 /nfs/dbraw/zinc/54/76/49/877547649.db2.gz KTWCZVPMDCQPJE-UHFFFAOYSA-N 1 2 399.564 3.833 20 10 GHCDLO CN(C)c1ccc(N2C(=O)/C(=C/c3cccc4[nH+]ccn43)SC2=S)cc1 ZINC000180310035 878763365 /nfs/dbraw/zinc/76/33/65/878763365.db2.gz VSZXDBKQNRTALX-VBKFSLOCSA-N 1 2 380.498 3.806 20 10 GHCDLO O=C(CCC[NH2+]Cc1cccc(Br)c1O)N1Cc2ccccc2C1 ZINC000111405608 879126417 /nfs/dbraw/zinc/12/64/17/879126417.db2.gz UQPOFFYFFNHDSR-UHFFFAOYSA-N 1 2 389.293 3.567 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cc(Br)cc(F)c1O ZINC000858478696 883130510 /nfs/dbraw/zinc/13/05/10/883130510.db2.gz AHJYQJMLCPHOJK-KOLCDFICSA-N 1 2 381.236 3.674 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C)n1-c1ccccc1C ZINC000859885248 884148197 /nfs/dbraw/zinc/14/81/97/884148197.db2.gz OJIGNGDGXJFDIH-VXLXPWSCSA-N 1 2 384.545 3.571 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C)n1-c1ccccc1C ZINC000859885248 884148202 /nfs/dbraw/zinc/14/82/02/884148202.db2.gz OJIGNGDGXJFDIH-VXLXPWSCSA-N 1 2 384.545 3.571 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000153396381 885091529 /nfs/dbraw/zinc/09/15/29/885091529.db2.gz PVOVWJVSVNVALE-SIKLNZKXSA-N 1 2 395.551 3.912 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000153396645 885092027 /nfs/dbraw/zinc/09/20/27/885092027.db2.gz PVOVWJVSVNVALE-KNQAVFIVSA-N 1 2 395.551 3.912 20 10 GHCDLO Cn1cc(C[N@H+](C)Cc2c(O)cccc2Br)c(C(F)(F)F)n1 ZINC000862252068 886255665 /nfs/dbraw/zinc/25/56/65/886255665.db2.gz BDDKMAVZYQDCLH-UHFFFAOYSA-N 1 2 378.192 3.539 20 10 GHCDLO Cn1cc(C[N@@H+](C)Cc2c(O)cccc2Br)c(C(F)(F)F)n1 ZINC000862252068 886255681 /nfs/dbraw/zinc/25/56/81/886255681.db2.gz BDDKMAVZYQDCLH-UHFFFAOYSA-N 1 2 378.192 3.539 20 10 GHCDLO O=C1/C(=C/c2ccc(C(F)F)cc2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000794859007 888526537 /nfs/dbraw/zinc/52/65/37/888526537.db2.gz DMYAUALEPCSINO-QINSGFPZSA-N 1 2 398.500 3.548 20 10 GHCDLO C[C@H]([NH2+]CCC1(O)CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000866443103 888880193 /nfs/dbraw/zinc/88/01/93/888880193.db2.gz IDTFIOGMNLSFHW-HNNXBMFYSA-N 1 2 376.447 3.743 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000916503494 889077516 /nfs/dbraw/zinc/07/75/16/889077516.db2.gz XXMOLDAVHGENCW-UHFFFAOYSA-N 1 2 393.447 3.557 20 10 GHCDLO COc1ccc(CN(C)C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000123180697 890391252 /nfs/dbraw/zinc/39/12/52/890391252.db2.gz RUOPUUXUMOKHKR-UHFFFAOYSA-N 1 2 394.471 3.655 20 10 GHCDLO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000123180697 890391271 /nfs/dbraw/zinc/39/12/71/890391271.db2.gz RUOPUUXUMOKHKR-UHFFFAOYSA-N 1 2 394.471 3.655 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)cc(F)c1O ZINC000248482850 891439542 /nfs/dbraw/zinc/43/95/42/891439542.db2.gz CGCIUTLVUOVNNM-IETSOEAISA-N 1 2 390.318 3.999 20 10 GHCDLO CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc(Cl)c1O ZINC000287854645 913565442 /nfs/dbraw/zinc/56/54/42/913565442.db2.gz XAWLMPXSUSWZRK-KBXCAEBGSA-N 1 2 375.900 3.907 20 10 GHCDLO COc1cc(C[N@H+](CCO)Cc2cccnc2Cl)c(O)c(C(C)(C)C)c1 ZINC000825753357 892383728 /nfs/dbraw/zinc/38/37/28/892383728.db2.gz QOIYIMWRNOESPA-UHFFFAOYSA-N 1 2 378.900 3.741 20 10 GHCDLO COc1cc(C[N@@H+](CCO)Cc2cccnc2Cl)c(O)c(C(C)(C)C)c1 ZINC000825753357 892383743 /nfs/dbraw/zinc/38/37/43/892383743.db2.gz QOIYIMWRNOESPA-UHFFFAOYSA-N 1 2 378.900 3.741 20 10 GHCDLO CCOCc1cc(C[NH2+][C@H](C)c2ncc(Br)cn2)ccc1OC ZINC000814302299 892529669 /nfs/dbraw/zinc/52/96/69/892529669.db2.gz RMSURQDQMAXAGW-GFCCVEGCSA-N 1 2 380.286 3.635 20 10 GHCDLO Oc1ccc(F)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1F ZINC000816550351 894918223 /nfs/dbraw/zinc/91/82/23/894918223.db2.gz OPLCAFWIQNXIEE-AWEZNQCLSA-N 1 2 382.838 3.784 20 10 GHCDLO Oc1ccc(F)c(CN[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1F ZINC000816550351 894918233 /nfs/dbraw/zinc/91/82/33/894918233.db2.gz OPLCAFWIQNXIEE-AWEZNQCLSA-N 1 2 382.838 3.784 20 10 GHCDLO Oc1ccc(F)c(CN[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1F ZINC000816550351 894918245 /nfs/dbraw/zinc/91/82/45/894918245.db2.gz OPLCAFWIQNXIEE-AWEZNQCLSA-N 1 2 382.838 3.784 20 10 GHCDLO CCOCC(C)(C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000816639126 894983911 /nfs/dbraw/zinc/98/39/11/894983911.db2.gz JADYQZHGCUGKEL-UHFFFAOYSA-N 1 2 381.108 3.822 20 10 GHCDLO COc1cc2c(cc1Cl)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000816665122 895010072 /nfs/dbraw/zinc/01/00/72/895010072.db2.gz SZJYAQVRFJCREO-UHFFFAOYSA-N 1 2 378.812 3.529 20 10 GHCDLO COc1cc2c(cc1Cl)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000816665122 895010087 /nfs/dbraw/zinc/01/00/87/895010087.db2.gz SZJYAQVRFJCREO-UHFFFAOYSA-N 1 2 378.812 3.529 20 10 GHCDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cc(Br)cc(F)c2O)cs1 ZINC000883032633 897218482 /nfs/dbraw/zinc/21/84/82/897218482.db2.gz PHIGOQCHWWWOJK-QMMMGPOBSA-N 1 2 375.263 3.748 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000824292106 899504940 /nfs/dbraw/zinc/50/49/40/899504940.db2.gz LLESDDVFKOQUJD-FZKQIMNGSA-N 1 2 397.313 3.501 20 10 GHCDLO CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C[C@H]1C ZINC000824815705 899823450 /nfs/dbraw/zinc/82/34/50/899823450.db2.gz XDAJBUWHJYRDNZ-NOZJJQNGSA-N 1 2 393.119 3.774 20 10 GHCDLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C[C@H]1C ZINC000824815705 899823457 /nfs/dbraw/zinc/82/34/57/899823457.db2.gz XDAJBUWHJYRDNZ-NOZJJQNGSA-N 1 2 393.119 3.774 20 10 GHCDLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccc(N2CCOCC2)cc1 ZINC000825067725 899960556 /nfs/dbraw/zinc/96/05/56/899960556.db2.gz FEYDOBYMASWXQI-UHFFFAOYSA-N 1 2 398.507 3.555 20 10 GHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)cc2Cl)C1 ZINC000844140256 900550752 /nfs/dbraw/zinc/55/07/52/900550752.db2.gz VNSBLUXXVGQNQC-RDJZCZTQSA-N 1 2 386.927 3.652 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001144299002 901646750 /nfs/dbraw/zinc/64/67/50/901646750.db2.gz OIKXTTUMBFZISM-UHFFFAOYSA-N 1 2 398.251 3.540 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001144307725 901698287 /nfs/dbraw/zinc/69/82/87/901698287.db2.gz GOZXIJSIDAMYTE-CQSZACIVSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001144307725 901698292 /nfs/dbraw/zinc/69/82/92/901698292.db2.gz GOZXIJSIDAMYTE-CQSZACIVSA-N 1 2 381.245 3.732 20 10 GHCDLO COc1cccc(C[N@H+](C)Cc2cc(Br)c(F)cc2O)c1OC ZINC001144307798 901699401 /nfs/dbraw/zinc/69/94/01/901699401.db2.gz HWMSRJIUNCWDPO-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1cccc(C[N@@H+](C)Cc2cc(Br)c(F)cc2O)c1OC ZINC001144307798 901699412 /nfs/dbraw/zinc/69/94/12/901699412.db2.gz HWMSRJIUNCWDPO-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO CCOC(=O)CCc1ccc[nH+]c1NCc1cc(Br)ccc1O ZINC001171175315 902062303 /nfs/dbraw/zinc/06/23/03/902062303.db2.gz KMMAVPHVTNSCHR-UHFFFAOYSA-N 1 2 379.254 3.658 20 10 GHCDLO COc1cc(OC)cc([C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)c2nccn2C)c1 ZINC000846139344 902745550 /nfs/dbraw/zinc/74/55/50/902745550.db2.gz RNDRITUYNIHIDB-VBKZILBWSA-N 1 2 397.475 3.592 20 10 GHCDLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(O)c1O ZINC000188414075 904919916 /nfs/dbraw/zinc/91/99/16/904919916.db2.gz DJTMRSKLRSQCTA-UHFFFAOYSA-N 1 2 399.450 3.940 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000184677447 907635276 /nfs/dbraw/zinc/63/52/76/907635276.db2.gz SCZNZFHFJJGXRG-LBPRGKRZSA-N 1 2 383.897 3.651 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000184677447 907635282 /nfs/dbraw/zinc/63/52/82/907635282.db2.gz SCZNZFHFJJGXRG-LBPRGKRZSA-N 1 2 383.897 3.651 20 10 GHCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000184960365 907687659 /nfs/dbraw/zinc/68/76/59/907687659.db2.gz AHRUWZWANJAIFS-SZNDQCEHSA-N 1 2 397.475 3.592 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(Nc3cccc(O)c3O)cc2)CC1 ZINC001176041011 907899393 /nfs/dbraw/zinc/89/93/93/907899393.db2.gz HREKOCVLXOYJCD-UHFFFAOYSA-N 1 2 399.491 3.894 20 10 GHCDLO COc1cc2c(cc1F)C[N@H+](Cc1cc(Br)cc(OC)c1O)CC2 ZINC000777441080 908190859 /nfs/dbraw/zinc/19/08/59/908190859.db2.gz WGCJKBCCIBGTAN-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO COc1cc2c(cc1F)C[N@@H+](Cc1cc(Br)cc(OC)c1O)CC2 ZINC000777441080 908190862 /nfs/dbraw/zinc/19/08/62/908190862.db2.gz WGCJKBCCIBGTAN-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000092593533 911637797 /nfs/dbraw/zinc/63/77/97/911637797.db2.gz PEKVJXPBDWSUPC-AWEZNQCLSA-N 1 2 384.295 3.798 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000092593533 911637807 /nfs/dbraw/zinc/63/78/07/911637807.db2.gz PEKVJXPBDWSUPC-AWEZNQCLSA-N 1 2 384.295 3.798 20 10 GHCDLO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000775153024 915628982 /nfs/dbraw/zinc/62/89/82/915628982.db2.gz QNZZOAXXVQPRIL-VXGBXAGGSA-N 1 2 392.240 3.611 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)CC1 ZINC000361316529 916636121 /nfs/dbraw/zinc/63/61/21/916636121.db2.gz ZWUWAOWPWAQNJJ-UHFFFAOYSA-N 1 2 381.524 3.735 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)CC1 ZINC000361316529 916636132 /nfs/dbraw/zinc/63/61/32/916636132.db2.gz ZWUWAOWPWAQNJJ-UHFFFAOYSA-N 1 2 381.524 3.735 20 10 GHCDLO CC(C)CC[N@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001190325975 917260205 /nfs/dbraw/zinc/26/02/05/917260205.db2.gz VSYZJVFCVHLHFP-UHFFFAOYSA-N 1 2 390.483 3.911 20 10 GHCDLO CC(C)CC[N@@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001190325975 917260215 /nfs/dbraw/zinc/26/02/15/917260215.db2.gz VSYZJVFCVHLHFP-UHFFFAOYSA-N 1 2 390.483 3.911 20 10 GHCDLO COCC[NH+]1CCN(C(=O)c2cccc(N=Nc3ccc(N(C)C)cc3)c2)CC1 ZINC001190964726 917669306 /nfs/dbraw/zinc/66/93/06/917669306.db2.gz SBAKWFARTDBKID-UHFFFAOYSA-N 1 2 395.507 3.572 20 10 GHCDLO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191231952 917867315 /nfs/dbraw/zinc/86/73/15/917867315.db2.gz DXELBIFBOREIRM-HUUCEWRRSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191231952 917867321 /nfs/dbraw/zinc/86/73/21/917867321.db2.gz DXELBIFBOREIRM-HUUCEWRRSA-N 1 2 376.456 3.521 20 10 GHCDLO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)s1 ZINC000827950646 926374401 /nfs/dbraw/zinc/37/44/01/926374401.db2.gz SYDUHMQFCKMTOE-SNVBAGLBSA-N 1 2 384.860 3.807 20 10 GHCDLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)s1 ZINC000827950646 926374413 /nfs/dbraw/zinc/37/44/13/926374413.db2.gz SYDUHMQFCKMTOE-SNVBAGLBSA-N 1 2 384.860 3.807 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[NH+](Cc3cccs3)CC2)c1 ZINC000781895177 931015637 /nfs/dbraw/zinc/01/56/37/931015637.db2.gz PMPKXSHMIFYYEY-UHFFFAOYSA-N 1 2 381.339 3.842 20 10 GHCDLO Cc1nc(N2CC[NH+](Cc3cc(C)cc(Br)c3O)CC2)sc1C ZINC000781907892 931023790 /nfs/dbraw/zinc/02/37/90/931023790.db2.gz GWKLDTXZFDUUEQ-UHFFFAOYSA-N 1 2 396.354 3.859 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(Br)cc(F)c1O ZINC000927018502 932383135 /nfs/dbraw/zinc/38/31/35/932383135.db2.gz ZNEGUXPNHRBINX-YPMHNXCESA-N 1 2 388.277 3.673 20 10 GHCDLO Cc1ccc([C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000798088671 932525386 /nfs/dbraw/zinc/52/53/86/932525386.db2.gz RODWQHRQHZZLGY-SJKOYZFVSA-N 1 2 385.888 3.757 20 10 GHCDLO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000799740589 933107704 /nfs/dbraw/zinc/10/77/04/933107704.db2.gz UQMGYCILLYBISW-STQMWFEESA-N 1 2 393.119 3.964 20 10 GHCDLO O=C(NCc1ccccc1O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001545682087 1014916606 /nfs/dbraw/zinc/91/66/06/1014916606.db2.gz POZQZXYTWFLSIV-SFHVURJKSA-N 1 2 389.293 3.608 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001204240364 1032684482 /nfs/dbraw/zinc/68/44/82/1032684482.db2.gz QCSHXCMQOCTXIR-SFHVURJKSA-N 1 2 399.535 3.631 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c2ccccc21 ZINC001204240364 1032684490 /nfs/dbraw/zinc/68/44/90/1032684490.db2.gz QCSHXCMQOCTXIR-SFHVURJKSA-N 1 2 399.535 3.631 20 10 GHCDLO Cn1cc2c(n1)C[N@@H+](Cc1ccc(N3CCCC3)cc1)C[C@@H]2COCC1CC1 ZINC001204327741 1032770399 /nfs/dbraw/zinc/77/03/99/1032770399.db2.gz GYTMKDSGAOAXDH-HXUWFJFHSA-N 1 2 380.536 3.546 20 10 GHCDLO Cn1cc2c(n1)C[N@H+](Cc1ccc(N3CCCC3)cc1)C[C@@H]2COCC1CC1 ZINC001204327741 1032770407 /nfs/dbraw/zinc/77/04/07/1032770407.db2.gz GYTMKDSGAOAXDH-HXUWFJFHSA-N 1 2 380.536 3.546 20 10 GHCDLO Oc1cc2c(cc1O)C[N@H+](Cc1sc(N3CCCC3)nc1Cl)CCC2 ZINC001140365970 1021503538 /nfs/dbraw/zinc/50/35/38/1021503538.db2.gz JWCKGQUHQNLZAH-UHFFFAOYSA-N 1 2 379.913 3.756 20 10 GHCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1sc(N3CCCC3)nc1Cl)CCC2 ZINC001140365970 1021503547 /nfs/dbraw/zinc/50/35/47/1021503547.db2.gz JWCKGQUHQNLZAH-UHFFFAOYSA-N 1 2 379.913 3.756 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)Cc2nn(CC3CC3)cc21 ZINC001140463256 1021753612 /nfs/dbraw/zinc/75/36/12/1021753612.db2.gz YDILLXXQMGYGAL-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)Cc2nn(CC3CC3)cc21 ZINC001140463256 1021753620 /nfs/dbraw/zinc/75/36/20/1021753620.db2.gz YDILLXXQMGYGAL-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)Cc2c1cnn2CC1CC1 ZINC001140466379 1021760877 /nfs/dbraw/zinc/76/08/77/1021760877.db2.gz CSFPXFUUUPMPDI-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)Cc2c1cnn2CC1CC1 ZINC001140466379 1021760893 /nfs/dbraw/zinc/76/08/93/1021760893.db2.gz CSFPXFUUUPMPDI-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(N3CCC(OC)CC3)cc1)C2 ZINC000827767435 1022336826 /nfs/dbraw/zinc/33/68/26/1022336826.db2.gz ZLMIFEPQLPAVLQ-UHFFFAOYSA-N 1 2 380.488 3.604 20 10 GHCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCC(OC)CC3)cc1)C2 ZINC000827767435 1022336843 /nfs/dbraw/zinc/33/68/43/1022336843.db2.gz ZLMIFEPQLPAVLQ-UHFFFAOYSA-N 1 2 380.488 3.604 20 10 GHCDLO Cc1cccc([C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2O)N2CCOCC2)c1 ZINC000756408437 1023632734 /nfs/dbraw/zinc/63/27/34/1023632734.db2.gz MPAWUADESARYTB-QRWLVFNGSA-N 1 2 376.447 3.703 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000756430228 1023644052 /nfs/dbraw/zinc/64/40/52/1023644052.db2.gz JXEBGKMSPGRTOJ-OLZOCXBDSA-N 1 2 390.430 3.740 20 10 GHCDLO CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1OCC(=O)N(C)C ZINC000756434752 1023647611 /nfs/dbraw/zinc/64/76/11/1023647611.db2.gz YQXBFFBHKHFJMV-SCLBCKFNSA-N 1 2 392.446 3.939 20 10 GHCDLO COCCOc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000756434838 1023647896 /nfs/dbraw/zinc/64/78/96/1023647896.db2.gz URSBHKBWWVXFTE-LLVKDONJSA-N 1 2 399.260 3.565 20 10 GHCDLO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Br)cc(Cl)c1O ZINC000756583383 1023721665 /nfs/dbraw/zinc/72/16/65/1023721665.db2.gz NLVQKOCVYKOGDP-ZYHUDNBSSA-N 1 2 378.694 3.654 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)cc(Cl)c1O ZINC000756788827 1023816424 /nfs/dbraw/zinc/81/64/24/1023816424.db2.gz DAVYQYHSHUZOHN-SECBINFHSA-N 1 2 385.693 3.515 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)[C@@H](c2ccccc2)C1 ZINC001138337911 1024699662 /nfs/dbraw/zinc/69/96/62/1024699662.db2.gz GIEPTBJQCKITEX-JOCHJYFZSA-N 1 2 377.532 3.580 20 10 GHCDLO C[N@H+]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)[C@@H](c2ccccc2)C1 ZINC001138337911 1024699667 /nfs/dbraw/zinc/69/96/67/1024699667.db2.gz GIEPTBJQCKITEX-JOCHJYFZSA-N 1 2 377.532 3.580 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001141370872 1024750788 /nfs/dbraw/zinc/75/07/88/1024750788.db2.gz ARXUTCHSZMZZEL-CQSZACIVSA-N 1 2 383.673 3.856 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001141370872 1024750800 /nfs/dbraw/zinc/75/08/00/1024750800.db2.gz ARXUTCHSZMZZEL-CQSZACIVSA-N 1 2 383.673 3.856 20 10 GHCDLO Fc1cc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc(F)c1N1CCOCC1 ZINC000839144402 1025640480 /nfs/dbraw/zinc/64/04/80/1025640480.db2.gz HWEHIZBODGLVET-UHFFFAOYSA-N 1 2 393.381 3.567 20 10 GHCDLO COC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)[C@H]1c1ccccc1 ZINC001139130110 1025943785 /nfs/dbraw/zinc/94/37/85/1025943785.db2.gz QIYKIVVFBVPZTC-UWJYYQICSA-N 1 2 393.439 3.543 20 10 GHCDLO COC(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)[C@H]1c1ccccc1 ZINC001139130110 1025943790 /nfs/dbraw/zinc/94/37/90/1025943790.db2.gz QIYKIVVFBVPZTC-UWJYYQICSA-N 1 2 393.439 3.543 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@@H+]2Cc1c(O)cccc1Br ZINC001140100033 1026878339 /nfs/dbraw/zinc/87/83/39/1026878339.db2.gz BQUXNQVZJYSECI-CABCVRRESA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@H+]2Cc1c(O)cccc1Br ZINC001140100033 1026878342 /nfs/dbraw/zinc/87/83/42/1026878342.db2.gz BQUXNQVZJYSECI-CABCVRRESA-N 1 2 397.313 3.738 20 10 GHCDLO Cc1cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001166151332 1026929333 /nfs/dbraw/zinc/92/93/33/1026929333.db2.gz IRNDPVSEBKOWBR-HOTGVXAUSA-N 1 2 389.927 3.587 20 10 GHCDLO Cc1cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001166151332 1026929335 /nfs/dbraw/zinc/92/93/35/1026929335.db2.gz IRNDPVSEBKOWBR-HOTGVXAUSA-N 1 2 389.927 3.587 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001203634020 1027492567 /nfs/dbraw/zinc/49/25/67/1027492567.db2.gz NNAGANMEEHFCOW-PWSUYJOCSA-N 1 2 386.183 3.883 20 10 GHCDLO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)Cc2cc(Cl)ccc2O)cn1 ZINC001203658336 1027513864 /nfs/dbraw/zinc/51/38/64/1027513864.db2.gz RXUOUVXPWUYAMD-UHFFFAOYSA-N 1 2 387.915 3.815 20 10 GHCDLO CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)Cc2cc(Cl)ccc2O)cn1 ZINC001203658336 1027513868 /nfs/dbraw/zinc/51/38/68/1027513868.db2.gz RXUOUVXPWUYAMD-UHFFFAOYSA-N 1 2 387.915 3.815 20 10 GHCDLO Nc1ccc(NC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000841301844 1028393416 /nfs/dbraw/zinc/39/34/16/1028393416.db2.gz FSMBHHSCWZTZJS-UHFFFAOYSA-N 1 2 394.397 3.517 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCc2c(COCc3ccccn3)cncc2C1 ZINC001142517466 1029022157 /nfs/dbraw/zinc/02/21/57/1029022157.db2.gz OINQHMMURDJBQJ-UHFFFAOYSA-N 1 2 397.425 3.736 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCc2c(COCc3ccccn3)cncc2C1 ZINC001142517466 1029022165 /nfs/dbraw/zinc/02/21/65/1029022165.db2.gz OINQHMMURDJBQJ-UHFFFAOYSA-N 1 2 397.425 3.736 20 10 GHCDLO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Br)cc(Br)c1O ZINC000842927222 1029693018 /nfs/dbraw/zinc/69/30/18/1029693018.db2.gz DFFFXBWIELZHQF-KHQFGBGNSA-N 1 2 379.092 3.745 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCC(C)(C)n2cc[nH+]c2)ccc1C ZINC001149212999 1030095192 /nfs/dbraw/zinc/09/51/92/1030095192.db2.gz HRKVPZRJIIYIJA-UHFFFAOYSA-N 1 2 378.476 3.577 20 10 GHCDLO C[C@H]1C[NH2+]CCC[C@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001217988553 1030708601 /nfs/dbraw/zinc/70/86/01/1030708601.db2.gz OMZRUSNIYMXUQS-SUMWQHHRSA-N 1 2 381.428 3.638 20 10 GHCDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc3ccccc3c2/N=N/c2ccccn2)C[NH2+]1 ZINC001218172830 1030806196 /nfs/dbraw/zinc/80/61/96/1030806196.db2.gz PJQIUYNFOGDJBH-FRGGTQKRSA-N 1 2 376.416 3.933 20 10 GHCDLO C[C@@H]1[NH2+]C[C@H]1Oc1cc2c(-c3ccccc3)c3cc(O)c(O)cc3oc-2cc1=O ZINC001218386472 1030915654 /nfs/dbraw/zinc/91/56/54/1030915654.db2.gz NFHDFRCOAFMEBV-AMXDTQDGSA-N 1 2 389.407 3.715 20 10 GHCDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277387647 1033483520 /nfs/dbraw/zinc/48/35/20/1033483520.db2.gz NIXBBFDWYMIOTR-SFHVURJKSA-N 1 2 390.833 3.654 20 10 GHCDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277387647 1033483527 /nfs/dbraw/zinc/48/35/27/1033483527.db2.gz NIXBBFDWYMIOTR-SFHVURJKSA-N 1 2 390.833 3.654 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001207075579 1034081907 /nfs/dbraw/zinc/08/19/07/1034081907.db2.gz GHPOFQYXMAURRJ-GASCZTMLSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001207075579 1034081923 /nfs/dbraw/zinc/08/19/23/1034081923.db2.gz GHPOFQYXMAURRJ-GASCZTMLSA-N 1 2 382.888 3.638 20 10 GHCDLO Cc1cc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C)n1-c1ccccc1 ZINC001230554106 1034118742 /nfs/dbraw/zinc/11/87/42/1034118742.db2.gz NLJLZTNRDAZAFN-HXUWFJFHSA-N 1 2 389.503 3.567 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001207868909 1034630761 /nfs/dbraw/zinc/63/07/61/1034630761.db2.gz LDODQTDOLMGONM-HXUWFJFHSA-N 1 2 396.915 3.566 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001207868909 1034630769 /nfs/dbraw/zinc/63/07/69/1034630769.db2.gz LDODQTDOLMGONM-HXUWFJFHSA-N 1 2 396.915 3.566 20 10 GHCDLO COc1ccc(Br)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1O ZINC001231553782 1034705160 /nfs/dbraw/zinc/70/51/60/1034705160.db2.gz CLJFUTLEMKHNBA-UHFFFAOYSA-N 1 2 396.203 3.507 20 10 GHCDLO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2cccc(Cl)c2O)CC3)n1 ZINC001231910361 1034984879 /nfs/dbraw/zinc/98/48/79/1034984879.db2.gz NUSJPGQMYYXFSG-UHFFFAOYSA-N 1 2 399.922 3.906 20 10 GHCDLO Oc1cncc(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)c1 ZINC001232044459 1035059501 /nfs/dbraw/zinc/05/95/01/1035059501.db2.gz SPBHBLMUHQPKEB-UHFFFAOYSA-N 1 2 386.455 3.918 20 10 GHCDLO CN(C)CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198083 1035156641 /nfs/dbraw/zinc/15/66/41/1035156641.db2.gz HNLVADCOEXXEIQ-UHFFFAOYSA-N 1 2 387.955 3.740 20 10 GHCDLO CN(C)CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198083 1035156645 /nfs/dbraw/zinc/15/66/45/1035156645.db2.gz HNLVADCOEXXEIQ-UHFFFAOYSA-N 1 2 387.955 3.740 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(OCc4ccccc4)no3)CC2)c(C)c1 ZINC001232450897 1038234012 /nfs/dbraw/zinc/23/40/12/1038234012.db2.gz LNSPDNNYQCDPMW-UHFFFAOYSA-N 1 2 393.487 3.893 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001233034011 1038787694 /nfs/dbraw/zinc/78/76/94/1038787694.db2.gz ZIGUQLQQYSDXCC-OKILXGFUSA-N 1 2 391.284 3.862 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001233034011 1038787710 /nfs/dbraw/zinc/78/77/10/1038787710.db2.gz ZIGUQLQQYSDXCC-OKILXGFUSA-N 1 2 391.284 3.862 20 10 GHCDLO Oc1cccc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1F ZINC001233055144 1038815666 /nfs/dbraw/zinc/81/56/66/1038815666.db2.gz LITSPHRRTQZHHD-UHFFFAOYSA-N 1 2 393.462 3.828 20 10 GHCDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1cc(Br)cc(C)c1O ZINC001233109868 1038899152 /nfs/dbraw/zinc/89/91/52/1038899152.db2.gz JITBCDHDQUGHDT-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(Br)cc(C)c1O ZINC001233109868 1038899183 /nfs/dbraw/zinc/89/91/83/1038899183.db2.gz JITBCDHDQUGHDT-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333252 1039129741 /nfs/dbraw/zinc/12/97/41/1039129741.db2.gz OYPNQTSFDDHTCR-OAHLLOKOSA-N 1 2 392.446 3.519 20 10 GHCDLO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333252 1039129745 /nfs/dbraw/zinc/12/97/45/1039129745.db2.gz OYPNQTSFDDHTCR-OAHLLOKOSA-N 1 2 392.446 3.519 20 10 GHCDLO Oc1c(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)cccc1OC(F)(F)F ZINC001233775703 1039605564 /nfs/dbraw/zinc/60/55/64/1039605564.db2.gz AACWHGBEHPNMDC-HNNXBMFYSA-N 1 2 394.384 3.986 20 10 GHCDLO CC[C@@H](C)N1CCC2(CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)C1=O ZINC001277833713 1039871523 /nfs/dbraw/zinc/87/15/23/1039871523.db2.gz MPYGSCOPNKRGJU-CQSZACIVSA-N 1 2 380.916 3.667 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001235057076 1040546277 /nfs/dbraw/zinc/54/62/77/1040546277.db2.gz LKCMWDRWTFPSFC-UHFFFAOYSA-N 1 2 398.251 3.540 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001235057076 1040546291 /nfs/dbraw/zinc/54/62/91/1040546291.db2.gz LKCMWDRWTFPSFC-UHFFFAOYSA-N 1 2 398.251 3.540 20 10 GHCDLO C[N@H+](CCCC(=O)c1cccnc1)Cc1cc(Br)cc(F)c1O ZINC001235068408 1040557717 /nfs/dbraw/zinc/55/77/17/1040557717.db2.gz GPBAGCQWWAZOLA-UHFFFAOYSA-N 1 2 381.245 3.784 20 10 GHCDLO C[N@@H+](CCCC(=O)c1cccnc1)Cc1cc(Br)cc(F)c1O ZINC001235068408 1040557727 /nfs/dbraw/zinc/55/77/27/1040557727.db2.gz GPBAGCQWWAZOLA-UHFFFAOYSA-N 1 2 381.245 3.784 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc(F)cc(Br)c2O)[C@H](c2ccccc2)C1 ZINC001235297636 1040768770 /nfs/dbraw/zinc/76/87/70/1040768770.db2.gz OTSFGHMIILXIAA-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(F)cc(Br)c2O)[C@H](c2ccccc2)C1 ZINC001235297636 1040768796 /nfs/dbraw/zinc/76/87/96/1040768796.db2.gz OTSFGHMIILXIAA-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c(O)c1Cl ZINC001236802088 1041903712 /nfs/dbraw/zinc/90/37/12/1041903712.db2.gz OHXVNIOIQZDMEB-CYBMUJFWSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c(O)c1Cl ZINC001236802088 1041903714 /nfs/dbraw/zinc/90/37/14/1041903714.db2.gz OHXVNIOIQZDMEB-CYBMUJFWSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1Cl ZINC001236801985 1041903938 /nfs/dbraw/zinc/90/39/38/1041903938.db2.gz MDKHOLILECTICM-ZDUSSCGKSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1Cl ZINC001236801985 1041903940 /nfs/dbraw/zinc/90/39/40/1041903940.db2.gz MDKHOLILECTICM-ZDUSSCGKSA-N 1 2 384.904 3.886 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC001237080889 1042027032 /nfs/dbraw/zinc/02/70/32/1042027032.db2.gz HDANCPJBWFEKPZ-UHFFFAOYSA-N 1 2 395.286 3.792 20 10 GHCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001237121695 1042050256 /nfs/dbraw/zinc/05/02/56/1042050256.db2.gz NTGNBMJZGZMUSX-IUODEOHRSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001237121695 1042050262 /nfs/dbraw/zinc/05/02/62/1042050262.db2.gz NTGNBMJZGZMUSX-IUODEOHRSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001237124559 1042051609 /nfs/dbraw/zinc/05/16/09/1042051609.db2.gz CPCUTDWPNMBIGN-OAHLLOKOSA-N 1 2 380.357 3.596 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1)c1ccccc1F ZINC001237125257 1042052929 /nfs/dbraw/zinc/05/29/29/1042052929.db2.gz BNBJXDYPADPWQK-GFCCVEGCSA-N 1 2 380.822 3.718 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1)c1ccccc1F ZINC001237125257 1042052935 /nfs/dbraw/zinc/05/29/35/1042052935.db2.gz BNBJXDYPADPWQK-GFCCVEGCSA-N 1 2 380.822 3.718 20 10 GHCDLO COC(=O)c1cccc2c1CC[N@H+](Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237126495 1042054364 /nfs/dbraw/zinc/05/43/64/1042054364.db2.gz ZODKNLCBWWSSOX-UHFFFAOYSA-N 1 2 381.350 3.636 20 10 GHCDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237126495 1042054370 /nfs/dbraw/zinc/05/43/70/1042054370.db2.gz ZODKNLCBWWSSOX-UHFFFAOYSA-N 1 2 381.350 3.636 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(Cc3ccccc3N2)CC1 ZINC001237342711 1042157807 /nfs/dbraw/zinc/15/78/07/1042157807.db2.gz HVANTMNFJHLZCS-UHFFFAOYSA-N 1 2 376.456 3.810 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)[C@H]2C1 ZINC001237620609 1042287296 /nfs/dbraw/zinc/28/72/96/1042287296.db2.gz NXGIKLWXHMIFSM-WBMJQRKESA-N 1 2 378.831 3.514 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)[C@H]2C1 ZINC001237620609 1042287306 /nfs/dbraw/zinc/28/73/06/1042287306.db2.gz NXGIKLWXHMIFSM-WBMJQRKESA-N 1 2 378.831 3.514 20 10 GHCDLO O=C1CCC[C@H]2C[N@@H+](Cc3cc(Br)cc(C(F)(F)F)c3O)C[C@@H]12 ZINC001237786682 1042369381 /nfs/dbraw/zinc/36/93/81/1042369381.db2.gz PAULCXNDEPZRIV-JOYOIKCWSA-N 1 2 392.215 3.975 20 10 GHCDLO O=C1CCC[C@H]2C[N@H+](Cc3cc(Br)cc(C(F)(F)F)c3O)C[C@@H]12 ZINC001237786682 1042369382 /nfs/dbraw/zinc/36/93/82/1042369382.db2.gz PAULCXNDEPZRIV-JOYOIKCWSA-N 1 2 392.215 3.975 20 10 GHCDLO O=C1NC[C@@H](c2ccccc2)C12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237800409 1042376385 /nfs/dbraw/zinc/37/63/85/1042376385.db2.gz NVSYTKKAYLDXSF-KRWDZBQOSA-N 1 2 388.870 3.681 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3cc(F)cc(Cl)c3O)[C@H]2C1 ZINC001237813974 1042382240 /nfs/dbraw/zinc/38/22/40/1042382240.db2.gz NYYQDZYDHIBUAT-WBMJQRKESA-N 1 2 378.831 3.514 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3cc(F)cc(Cl)c3O)[C@H]2C1 ZINC001237813974 1042382245 /nfs/dbraw/zinc/38/22/45/1042382245.db2.gz NYYQDZYDHIBUAT-WBMJQRKESA-N 1 2 378.831 3.514 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001237814084 1042382336 /nfs/dbraw/zinc/38/23/36/1042382336.db2.gz PAYKJWHDFMXLDW-UHFFFAOYSA-N 1 2 384.842 3.638 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001237814084 1042382340 /nfs/dbraw/zinc/38/23/40/1042382340.db2.gz PAYKJWHDFMXLDW-UHFFFAOYSA-N 1 2 384.842 3.638 20 10 GHCDLO O=c1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2c(O)ccc(Cl)c2Cl)[nH]1 ZINC001279676609 1047910899 /nfs/dbraw/zinc/91/08/99/1047910899.db2.gz JECARFQWEXIBLT-HOTGVXAUSA-N 1 2 394.302 3.648 20 10 GHCDLO O=c1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2c(O)ccc(Cl)c2Cl)[nH]1 ZINC001279676609 1047910904 /nfs/dbraw/zinc/91/09/04/1047910904.db2.gz JECARFQWEXIBLT-HOTGVXAUSA-N 1 2 394.302 3.648 20 10 GHCDLO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2c(O)ccc(Cl)c2Cl)[nH]1 ZINC001279676609 1047910907 /nfs/dbraw/zinc/91/09/07/1047910907.db2.gz JECARFQWEXIBLT-HOTGVXAUSA-N 1 2 394.302 3.648 20 10 GHCDLO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2c(O)ccc(Cl)c2Cl)[nH]1 ZINC001279676609 1047910908 /nfs/dbraw/zinc/91/09/08/1047910908.db2.gz JECARFQWEXIBLT-HOTGVXAUSA-N 1 2 394.302 3.648 20 10 GHCDLO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001307712673 1049527978 /nfs/dbraw/zinc/52/79/78/1049527978.db2.gz JSOLNZQWGXCUTA-IFXJQAMLSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001307712673 1049527992 /nfs/dbraw/zinc/52/79/92/1049527992.db2.gz JSOLNZQWGXCUTA-IFXJQAMLSA-N 1 2 376.456 3.521 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccc(Br)cc3O)C2)C1 ZINC001308977726 1050239136 /nfs/dbraw/zinc/23/91/36/1050239136.db2.gz NKHOHYDSTONWNO-UHFFFAOYSA-N 1 2 397.313 3.598 20 10 GHCDLO Cn1ncc2ccc(C[NH2+]Cc3cc(Cl)cc(Br)c3O)cc21 ZINC001474159845 1074279469 /nfs/dbraw/zinc/27/94/69/1074279469.db2.gz VSEITMQEIREDNS-UHFFFAOYSA-N 1 2 380.673 3.985 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCN(Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC001474408514 1074392676 /nfs/dbraw/zinc/39/26/76/1074392676.db2.gz HOQHYWUKYKMYPJ-UHFFFAOYSA-N 1 2 378.875 3.901 20 10 GHCDLO COc1ccc(C[N@H+]2CCCN(Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC001474408514 1074392685 /nfs/dbraw/zinc/39/26/85/1074392685.db2.gz HOQHYWUKYKMYPJ-UHFFFAOYSA-N 1 2 378.875 3.901 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccnn3-c3ccccc3C)CC2)c(OC)c1 ZINC001474675092 1074509445 /nfs/dbraw/zinc/50/94/45/1074509445.db2.gz QQDHOQRDPQQXME-UHFFFAOYSA-N 1 2 392.503 3.520 20 10 GHCDLO C[C@@H]1[C@@H]([NH2+]Cc2cccc(Br)c2O)CCN1Cc1ccccc1 ZINC000309710729 835293986 /nfs/dbraw/zinc/29/39/86/835293986.db2.gz JFVOIKMNFWZBAY-KDOFPFPSSA-N 1 2 375.310 3.907 20 10 GHCDLO CC(C)c1nnc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 ZINC000892620523 837201806 /nfs/dbraw/zinc/20/18/06/837201806.db2.gz BGHZVUCHEWDQGV-ZIAGYGMSSA-N 1 2 378.517 3.704 20 10 GHCDLO Cc1cc(CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccc1 ZINC000728743360 838824789 /nfs/dbraw/zinc/82/47/89/838824789.db2.gz MDAKPTYRZPBPPG-JOCHJYFZSA-N 1 2 391.519 3.880 20 10 GHCDLO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000363859226 839289814 /nfs/dbraw/zinc/28/98/14/839289814.db2.gz FHHCRTNOHJMEEA-NOZJJQNGSA-N 1 2 380.261 3.600 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1O ZINC000756433719 839365476 /nfs/dbraw/zinc/36/54/76/839365476.db2.gz XZHXDCBDYHDGPT-VHSXEESVSA-N 1 2 399.226 3.829 20 10 GHCDLO C[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000016387119 846189631 /nfs/dbraw/zinc/18/96/31/846189631.db2.gz XJYPNZQAGUGXBC-UHFFFAOYSA-N 1 2 398.894 3.859 20 10 GHCDLO C[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000016387119 846189637 /nfs/dbraw/zinc/18/96/37/846189637.db2.gz XJYPNZQAGUGXBC-UHFFFAOYSA-N 1 2 398.894 3.859 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000732211118 862136988 /nfs/dbraw/zinc/13/69/88/862136988.db2.gz JXIOXSSBJKMWRJ-FQEVSTJZSA-N 1 2 397.494 3.503 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000732211118 862136995 /nfs/dbraw/zinc/13/69/95/862136995.db2.gz JXIOXSSBJKMWRJ-FQEVSTJZSA-N 1 2 397.494 3.503 20 10 GHCDLO O=C(NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1=CC(=O)CS1 ZINC000732261774 862177241 /nfs/dbraw/zinc/17/72/41/862177241.db2.gz MNOMQGBURBRACC-UHFFFAOYSA-N 1 2 393.512 3.506 20 10 GHCDLO COc1ccc(C[N@H+](C)CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)cc1O ZINC000828031245 853619701 /nfs/dbraw/zinc/61/97/01/853619701.db2.gz KFKDFIIZOUTUOX-UHFFFAOYSA-N 1 2 397.450 3.657 20 10 GHCDLO COc1ccc(C[N@@H+](C)CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)cc1O ZINC000828031245 853619705 /nfs/dbraw/zinc/61/97/05/853619705.db2.gz KFKDFIIZOUTUOX-UHFFFAOYSA-N 1 2 397.450 3.657 20 10 GHCDLO COc1ccccc1-n1c[nH+]c2cc(NCC(=O)c3ccc(O)c(O)c3)ccc21 ZINC001170320678 881354776 /nfs/dbraw/zinc/35/47/76/881354776.db2.gz IORKXFPTFHUNSV-UHFFFAOYSA-N 1 2 389.411 3.740 20 10 GHCDLO COc1cccc([C@@H](C)N2CC[NH+](Cc3cc(Cl)cc(OC)c3O)CC2)c1 ZINC000761194242 859068968 /nfs/dbraw/zinc/06/89/68/859068968.db2.gz SAJQBLKXUVCUAV-OAHLLOKOSA-N 1 2 390.911 3.942 20 10 GHCDLO C[C@H](NCC[N@H+](C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000765287252 859890217 /nfs/dbraw/zinc/89/02/17/859890217.db2.gz TWXYKPQEFNALAW-SFHVURJKSA-N 1 2 387.955 3.959 20 10 GHCDLO C[C@H](NCC[N@@H+](C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000765287252 859890222 /nfs/dbraw/zinc/89/02/22/859890222.db2.gz TWXYKPQEFNALAW-SFHVURJKSA-N 1 2 387.955 3.959 20 10 GHCDLO COC(=O)c1cc2ccccc2c(C[N@H+](C)Cc2nccn2C(F)F)c1O ZINC000124386736 860350163 /nfs/dbraw/zinc/35/01/63/860350163.db2.gz GZQWLCXONULDLC-UHFFFAOYSA-N 1 2 375.375 3.556 20 10 GHCDLO COC(=O)c1cc2ccccc2c(C[N@@H+](C)Cc2nccn2C(F)F)c1O ZINC000124386736 860350168 /nfs/dbraw/zinc/35/01/68/860350168.db2.gz GZQWLCXONULDLC-UHFFFAOYSA-N 1 2 375.375 3.556 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCOCC1CCC1 ZINC000765673771 860395361 /nfs/dbraw/zinc/39/53/61/860395361.db2.gz AJVAMOLONORUQZ-UHFFFAOYSA-N 1 2 393.119 3.824 20 10 GHCDLO Cc1ccc(CC[N@@H+](C)Cc2cccc(I)c2O)cc1 ZINC001237779977 864284958 /nfs/dbraw/zinc/28/49/58/864284958.db2.gz LFCJVMCEJJGOOW-UHFFFAOYSA-N 1 2 381.257 3.980 20 10 GHCDLO Cc1ccc(CC[N@H+](C)Cc2cccc(I)c2O)cc1 ZINC001237779977 864284966 /nfs/dbraw/zinc/28/49/66/864284966.db2.gz LFCJVMCEJJGOOW-UHFFFAOYSA-N 1 2 381.257 3.980 20 10 GHCDLO Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(=O)c1-c1ccccc1 ZINC000738227997 865505967 /nfs/dbraw/zinc/50/59/67/865505967.db2.gz RPKCAGLLDLVGAD-QGZVFWFLSA-N 1 2 392.499 3.858 20 10 GHCDLO Cc1oc2c(ccc([O-])c2C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(=O)c1-c1ccccc1 ZINC000738227997 865505976 /nfs/dbraw/zinc/50/59/76/865505976.db2.gz RPKCAGLLDLVGAD-QGZVFWFLSA-N 1 2 392.499 3.858 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000775645314 872256189 /nfs/dbraw/zinc/25/61/89/872256189.db2.gz JLPULFKPMJPEKU-ZDUSSCGKSA-N 1 2 378.879 3.882 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000775645314 872256199 /nfs/dbraw/zinc/25/61/99/872256199.db2.gz JLPULFKPMJPEKU-ZDUSSCGKSA-N 1 2 378.879 3.882 20 10 GHCDLO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775645962 872271339 /nfs/dbraw/zinc/27/13/39/872271339.db2.gz CFESRBOAEDIVKC-UHFFFAOYSA-N 1 2 378.831 3.741 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccccc1O ZINC001195359781 872348122 /nfs/dbraw/zinc/34/81/22/872348122.db2.gz YWPCCMVXCPDLIC-UHFFFAOYSA-N 1 2 397.393 3.899 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccccc1O ZINC001195359781 872348139 /nfs/dbraw/zinc/34/81/39/872348139.db2.gz YWPCCMVXCPDLIC-UHFFFAOYSA-N 1 2 397.393 3.899 20 10 GHCDLO C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)cc(F)c1O ZINC000857875505 882605202 /nfs/dbraw/zinc/60/52/02/882605202.db2.gz QSGIBDHIHHXXFA-HWPZZCPQSA-N 1 2 393.256 3.658 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O ZINC000177026877 882728117 /nfs/dbraw/zinc/72/81/17/882728117.db2.gz HICCPQVBHHWSGK-AWEZNQCLSA-N 1 2 392.927 3.719 20 10 GHCDLO CO[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000769551456 874154174 /nfs/dbraw/zinc/15/41/74/874154174.db2.gz MYNZJPZZNNAFLL-UXHICEINSA-N 1 2 392.459 3.845 20 10 GHCDLO CO[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000769551456 874154183 /nfs/dbraw/zinc/15/41/83/874154183.db2.gz MYNZJPZZNNAFLL-UXHICEINSA-N 1 2 392.459 3.845 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(N3CCCC3=O)CC2)c(C)n1-c1ccccc1C ZINC000104727386 874692090 /nfs/dbraw/zinc/69/20/90/874692090.db2.gz UHCGHFOJKIZQEF-UHFFFAOYSA-N 1 2 393.531 3.672 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cc(Br)cc(F)c1O ZINC000850503241 876977625 /nfs/dbraw/zinc/97/76/25/876977625.db2.gz VFUFMWSOWIYFJD-PSDDUVHUSA-N 1 2 378.307 3.634 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CC(O)(c3ccc(Br)cc3)C2)cc1Cl ZINC001183066300 912258682 /nfs/dbraw/zinc/25/86/82/912258682.db2.gz WQRATPOKBOKSMO-UHFFFAOYSA-N 1 2 382.685 3.820 20 10 GHCDLO CC[NH+](CC)Cc1nc(C2(NCc3c(O)ccc(Cl)c3F)CCCC2)no1 ZINC000790964815 880108361 /nfs/dbraw/zinc/10/83/61/880108361.db2.gz MQRISKSVCKNJLB-UHFFFAOYSA-N 1 2 396.894 3.969 20 10 GHCDLO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cccc(Cl)c2O)cn1 ZINC000792184347 880972068 /nfs/dbraw/zinc/97/20/68/880972068.db2.gz ACSPMUFYYHOKCJ-FQEVSTJZSA-N 1 2 385.895 3.998 20 10 GHCDLO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2O)cn1 ZINC000792184347 880972207 /nfs/dbraw/zinc/97/22/07/880972207.db2.gz ACSPMUFYYHOKCJ-FQEVSTJZSA-N 1 2 385.895 3.998 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(Br)cc(F)c1O ZINC000858536983 883182817 /nfs/dbraw/zinc/18/28/17/883182817.db2.gz MDDXRIJUIPAMLW-AEYAVQINSA-N 1 2 397.244 3.575 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000859181281 883643077 /nfs/dbraw/zinc/64/30/77/883643077.db2.gz HETBFOOJPNMNHP-OAQYLSRUSA-N 1 2 376.460 3.580 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000860043264 884285246 /nfs/dbraw/zinc/28/52/46/884285246.db2.gz RJZCDNOZASLSPI-AOMKIAJQSA-N 1 2 390.487 3.826 20 10 GHCDLO CC[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(Cl)c1O ZINC000806139653 884386635 /nfs/dbraw/zinc/38/66/35/884386635.db2.gz CDYXHYXFSXONRG-QMMLZNLJSA-N 1 2 388.939 3.969 20 10 GHCDLO CC[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cccc(Cl)c1O ZINC000806183150 884425821 /nfs/dbraw/zinc/42/58/21/884425821.db2.gz NQMQZVGXMRPWOC-KSSFIOAISA-N 1 2 394.924 3.550 20 10 GHCDLO Cc1ccc([C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000862353071 886313148 /nfs/dbraw/zinc/31/31/48/886313148.db2.gz SMKKAFTWDPXKIB-JLTOFOAXSA-N 1 2 396.503 3.603 20 10 GHCDLO CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000762648108 886615725 /nfs/dbraw/zinc/61/57/25/886615725.db2.gz GYRAIGCHOWSUOQ-WMLDXEAASA-N 1 2 385.346 3.696 20 10 GHCDLO CCC[C@@]1([NH2+]Cc2cc(Br)cc(Br)c2O)CCOC1 ZINC000809704124 887723017 /nfs/dbraw/zinc/72/30/17/887723017.db2.gz VUASPQCMHYJGEW-CQSZACIVSA-N 1 2 393.119 3.966 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000809789993 887843955 /nfs/dbraw/zinc/84/39/55/887843955.db2.gz REYHPIFNZPIKNQ-UHFFFAOYSA-N 1 2 376.250 3.837 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000809789993 887843965 /nfs/dbraw/zinc/84/39/65/887843965.db2.gz REYHPIFNZPIKNQ-UHFFFAOYSA-N 1 2 376.250 3.837 20 10 GHCDLO C[C@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1O)NC(=O)OC(C)(C)C ZINC000794825348 888240237 /nfs/dbraw/zinc/24/02/37/888240237.db2.gz MWPATMACLGLZPO-NXEZZACHSA-N 1 2 391.281 3.858 20 10 GHCDLO CC[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O)OC ZINC000810260375 888325743 /nfs/dbraw/zinc/32/57/43/888325743.db2.gz KAEKDKOBKWRMOQ-SCZZXKLOSA-N 1 2 381.108 3.993 20 10 GHCDLO CO[C@](C)(C[NH2+]Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000812772994 890950535 /nfs/dbraw/zinc/95/05/35/890950535.db2.gz OCNYWLRIZFJGIL-CQSZACIVSA-N 1 2 393.119 3.822 20 10 GHCDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000124703968 891855192 /nfs/dbraw/zinc/85/51/92/891855192.db2.gz ZSBZMQKPGGVLRS-SFHVURJKSA-N 1 2 396.560 3.713 20 10 GHCDLO COCC(C)(C)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000814172976 892324076 /nfs/dbraw/zinc/32/40/76/892324076.db2.gz FSWJECDSFWHKLT-UHFFFAOYSA-N 1 2 381.108 3.679 20 10 GHCDLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000131575001 897521057 /nfs/dbraw/zinc/52/10/57/897521057.db2.gz WDORTUPSMBPECS-UHFFFAOYSA-N 1 2 379.504 3.950 20 10 GHCDLO CC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000131575001 897521067 /nfs/dbraw/zinc/52/10/67/897521067.db2.gz WDORTUPSMBPECS-UHFFFAOYSA-N 1 2 379.504 3.950 20 10 GHCDLO O=C(C[N@@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000823468238 899044484 /nfs/dbraw/zinc/04/44/84/899044484.db2.gz DAQPBVKJJBYBNG-FQEVSTJZSA-N 1 2 389.463 3.969 20 10 GHCDLO O=C(C[N@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000823468238 899044495 /nfs/dbraw/zinc/04/44/95/899044495.db2.gz DAQPBVKJJBYBNG-FQEVSTJZSA-N 1 2 389.463 3.969 20 10 GHCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000046944655 901179589 /nfs/dbraw/zinc/17/95/89/901179589.db2.gz ZWDPFYPDMQADJY-UHFFFAOYSA-N 1 2 381.524 3.716 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001144298537 901646844 /nfs/dbraw/zinc/64/68/44/901646844.db2.gz FURCKQUHWJVEHR-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001144298537 901646851 /nfs/dbraw/zinc/64/68/51/901646851.db2.gz FURCKQUHWJVEHR-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO COC(C[N@H+](Cc1ccccc1)Cc1cc(Br)c(F)cc1O)OC ZINC001144299514 901649717 /nfs/dbraw/zinc/64/97/17/901649717.db2.gz YYOJGKPVZNONCX-UHFFFAOYSA-N 1 2 398.272 3.915 20 10 GHCDLO COC(C[N@@H+](Cc1ccccc1)Cc1cc(Br)c(F)cc1O)OC ZINC001144299514 901649718 /nfs/dbraw/zinc/64/97/18/901649718.db2.gz YYOJGKPVZNONCX-UHFFFAOYSA-N 1 2 398.272 3.915 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001144300188 901660967 /nfs/dbraw/zinc/66/09/67/901660967.db2.gz WECJKEGMGHUHIV-UHFFFAOYSA-N 1 2 398.247 3.917 20 10 GHCDLO Cc1cc(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)c(C)n1-c1ccccc1 ZINC000845118025 901799591 /nfs/dbraw/zinc/79/95/91/901799591.db2.gz AELDEJPDSBUCGV-UHFFFAOYSA-N 1 2 376.504 3.528 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159177252 902671273 /nfs/dbraw/zinc/67/12/73/902671273.db2.gz WPBGIHHXMKRMCR-UHFFFAOYSA-N 1 2 393.491 3.658 20 10 GHCDLO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2O)C1 ZINC001181622219 910884879 /nfs/dbraw/zinc/88/48/79/910884879.db2.gz RPQKDWDXGJGLOS-ZBFHGGJFSA-N 1 2 382.451 3.893 20 10 GHCDLO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2O)C1 ZINC001181622219 910884894 /nfs/dbraw/zinc/88/48/94/910884894.db2.gz RPQKDWDXGJGLOS-ZBFHGGJFSA-N 1 2 382.451 3.893 20 10 GHCDLO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000775152505 915599433 /nfs/dbraw/zinc/59/94/33/915599433.db2.gz NESPFURNSRIQGA-LBPRGKRZSA-N 1 2 393.281 3.670 20 10 GHCDLO C[C@H](C[C@H](C)[NH2+]Cc1cccc(Br)c1O)NC(=O)OC(C)(C)C ZINC000775153892 915610125 /nfs/dbraw/zinc/61/01/25/915610125.db2.gz VTIYKKBXTQOHGB-NWDGAFQWSA-N 1 2 387.318 3.936 20 10 GHCDLO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Br)cc(Cl)c1O ZINC000903275305 922901853 /nfs/dbraw/zinc/90/18/53/922901853.db2.gz ZTQCCVNLXRTLFC-SECBINFHSA-N 1 2 376.657 3.825 20 10 GHCDLO CC1(C)C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CO1 ZINC000826797368 924207155 /nfs/dbraw/zinc/20/71/55/924207155.db2.gz RWLGHEGNEZPZLI-SNVBAGLBSA-N 1 2 379.092 3.574 20 10 GHCDLO CCCCN(Cc1ccccc1O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000374777455 927509090 /nfs/dbraw/zinc/50/90/90/927509090.db2.gz MTRIXBLHFIXBQN-UHFFFAOYSA-N 1 2 382.508 3.768 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1O ZINC000750837332 927884656 /nfs/dbraw/zinc/88/46/56/927884656.db2.gz JVHGXNRSFAIDJE-LJQANCHMSA-N 1 2 384.451 3.518 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1O ZINC000750837332 927884666 /nfs/dbraw/zinc/88/46/66/927884666.db2.gz JVHGXNRSFAIDJE-LJQANCHMSA-N 1 2 384.451 3.518 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753546804 929405284 /nfs/dbraw/zinc/40/52/84/929405284.db2.gz LFFSEOURSWWLKR-OAQYLSRUSA-N 1 2 399.487 3.514 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753546804 929405286 /nfs/dbraw/zinc/40/52/86/929405286.db2.gz LFFSEOURSWWLKR-OAQYLSRUSA-N 1 2 399.487 3.514 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3C)CC2)cc1F ZINC000753857506 929565832 /nfs/dbraw/zinc/56/58/32/929565832.db2.gz MQVNOGBYFAOKLC-ZWKOTPCHSA-N 1 2 399.510 3.531 20 10 GHCDLO O=C1NCC[N@@H+](Cc2cc3c(cc2O)CCC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000758376781 930026486 /nfs/dbraw/zinc/02/64/86/930026486.db2.gz PKVTYCDXQNWUHS-IBGZPJMESA-N 1 2 390.405 3.573 20 10 GHCDLO O=C1NCC[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000758376781 930026489 /nfs/dbraw/zinc/02/64/89/930026489.db2.gz PKVTYCDXQNWUHS-IBGZPJMESA-N 1 2 390.405 3.573 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000781897241 931016651 /nfs/dbraw/zinc/01/66/51/931016651.db2.gz QDDIZXMCTDJFPB-UHFFFAOYSA-N 1 2 396.716 3.834 20 10 GHCDLO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C(F)(F)c1ccccc1 ZINC000926872562 932332418 /nfs/dbraw/zinc/33/24/18/932332418.db2.gz HCFVLEFJVNQFRE-INIZCTEOSA-N 1 2 387.474 3.658 20 10 GHCDLO C[C@H]([NH2+]CCOC1CCOCC1)c1cc(Br)cc(Cl)c1O ZINC000927079693 932403346 /nfs/dbraw/zinc/40/33/46/932403346.db2.gz OBLWYWZSQAREAE-JTQLQIEISA-N 1 2 378.694 3.654 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(C)c(F)c3F)CC2)cc1 ZINC001137971368 935897602 /nfs/dbraw/zinc/89/76/02/935897602.db2.gz QLHQTEJXMXAFAL-UHFFFAOYSA-N 1 2 376.447 3.621 20 10 GHCDLO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c31)C2 ZINC001227507494 1032446292 /nfs/dbraw/zinc/44/62/92/1032446292.db2.gz XQFDPTPDTXDXCO-MUJYYYPQSA-N 1 2 393.439 3.875 20 10 GHCDLO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c31)C2 ZINC001227507494 1032446298 /nfs/dbraw/zinc/44/62/98/1032446298.db2.gz XQFDPTPDTXDXCO-MUJYYYPQSA-N 1 2 393.439 3.875 20 10 GHCDLO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001227580450 1032471009 /nfs/dbraw/zinc/47/10/09/1032471009.db2.gz QJOVKGGPVFYENJ-QGZVFWFLSA-N 1 2 399.446 3.821 20 10 GHCDLO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227580450 1032471015 /nfs/dbraw/zinc/47/10/15/1032471015.db2.gz QJOVKGGPVFYENJ-QGZVFWFLSA-N 1 2 399.446 3.821 20 10 GHCDLO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001227580449 1032471099 /nfs/dbraw/zinc/47/10/99/1032471099.db2.gz QJOVKGGPVFYENJ-KRWDZBQOSA-N 1 2 399.446 3.821 20 10 GHCDLO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227580449 1032471102 /nfs/dbraw/zinc/47/11/02/1032471102.db2.gz QJOVKGGPVFYENJ-KRWDZBQOSA-N 1 2 399.446 3.821 20 10 GHCDLO COc1cc(C[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc(O)c1O ZINC001204346430 1032784572 /nfs/dbraw/zinc/78/45/72/1032784572.db2.gz PJODATHMLAKFHW-UHFFFAOYSA-N 1 2 383.275 3.735 20 10 GHCDLO CC1(C)SC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000802661746 1021517165 /nfs/dbraw/zinc/51/71/65/1021517165.db2.gz XEAQSLXBVVUTDH-SNVBAGLBSA-N 1 2 381.133 3.901 20 10 GHCDLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(C(F)(F)F)c1O ZINC000834884417 1021613005 /nfs/dbraw/zinc/61/30/05/1021613005.db2.gz LMBYDIGQLRPWLR-MRVPVSSYSA-N 1 2 378.192 3.758 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)Cc2ncn(CC3CC3)c21 ZINC001140462636 1021754656 /nfs/dbraw/zinc/75/46/56/1021754656.db2.gz JTJYYYACAHAIOG-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)Cc2ncn(CC3CC3)c21 ZINC001140462636 1021754672 /nfs/dbraw/zinc/75/46/72/1021754672.db2.gz JTJYYYACAHAIOG-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3Cc4ccncc4C3)cc2)CC1 ZINC001140481389 1021784294 /nfs/dbraw/zinc/78/42/94/1021784294.db2.gz OVMRPVYSKSENSI-UHFFFAOYSA-N 1 2 394.519 3.655 20 10 GHCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@H+]3Cc4ccncc4C3)cc2)CC1 ZINC001140481389 1021784304 /nfs/dbraw/zinc/78/43/04/1021784304.db2.gz OVMRPVYSKSENSI-UHFFFAOYSA-N 1 2 394.519 3.655 20 10 GHCDLO O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140580667 1022000610 /nfs/dbraw/zinc/00/06/10/1022000610.db2.gz CJSNTVBQLXUXKF-HXUWFJFHSA-N 1 2 392.471 3.860 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(OC)cc3Cl)CC2)cc1 ZINC001140822691 1022630819 /nfs/dbraw/zinc/63/08/19/1022630819.db2.gz FCWPIUFQXMXFRQ-UHFFFAOYSA-N 1 2 390.911 3.696 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c(O)c1 ZINC001140850411 1022695964 /nfs/dbraw/zinc/69/59/64/1022695964.db2.gz KSYTYCFQYQOCLK-QGZVFWFLSA-N 1 2 395.519 3.629 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c(O)c1 ZINC001140850411 1022695970 /nfs/dbraw/zinc/69/59/70/1022695970.db2.gz KSYTYCFQYQOCLK-QGZVFWFLSA-N 1 2 395.519 3.629 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)cc(F)c1O ZINC000756370477 1023612720 /nfs/dbraw/zinc/61/27/20/1023612720.db2.gz IZPDKGVBTPBRKX-BFUOFWGJSA-N 1 2 380.410 3.534 20 10 GHCDLO C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1cc(Br)c(F)cc1O ZINC000756507598 1023690575 /nfs/dbraw/zinc/69/05/75/1023690575.db2.gz CYSCWANWWBSANM-LBPRGKRZSA-N 1 2 395.272 3.651 20 10 GHCDLO C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1O ZINC000756649351 1023753605 /nfs/dbraw/zinc/75/36/05/1023753605.db2.gz PAUYBCLLKZJMAA-VIFPVBQESA-N 1 2 389.265 3.564 20 10 GHCDLO Cc1cc(CCNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC000756655900 1023757425 /nfs/dbraw/zinc/75/74/25/1023757425.db2.gz DMQSVBKPKZDESA-FQEVSTJZSA-N 1 2 391.519 3.569 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(Br)cc(F)c1O ZINC000756660202 1023760180 /nfs/dbraw/zinc/76/01/80/1023760180.db2.gz KZZQROARMRNYSI-MEDUHNTESA-N 1 2 393.256 3.750 20 10 GHCDLO COCC1([NH2+][C@H](C)c2cc(Br)cc(Br)c2O)CC1 ZINC000756849984 1023834405 /nfs/dbraw/zinc/83/44/05/1023834405.db2.gz IDSQMTDKEALJSX-MRVPVSSYSA-N 1 2 379.092 3.747 20 10 GHCDLO Cc1cc(N2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC001205123587 1033266150 /nfs/dbraw/zinc/26/61/50/1033266150.db2.gz REPAQOXQIQSELS-UHFFFAOYSA-N 1 2 389.494 3.575 20 10 GHCDLO CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1c(O)ccc3c(C)cc(=O)oc31)CC2 ZINC001139133316 1025946322 /nfs/dbraw/zinc/94/63/22/1025946322.db2.gz GYGVQIFOERMUML-QGZVFWFLSA-N 1 2 399.487 3.752 20 10 GHCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCN1C(=O)OC(C)(C)C ZINC001140098873 1026876271 /nfs/dbraw/zinc/87/62/71/1026876271.db2.gz PYNLNIIOOJOFNY-LBPRGKRZSA-N 1 2 385.302 3.596 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CCN1C(=O)OC(C)(C)C ZINC001140098873 1026876277 /nfs/dbraw/zinc/87/62/77/1026876277.db2.gz PYNLNIIOOJOFNY-LBPRGKRZSA-N 1 2 385.302 3.596 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cccc1Br ZINC001140100343 1026878238 /nfs/dbraw/zinc/87/82/38/1026878238.db2.gz LYMCAZHCUHLVRP-BETUJISGSA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cccc1Br ZINC001140100343 1026878245 /nfs/dbraw/zinc/87/82/45/1026878245.db2.gz LYMCAZHCUHLVRP-BETUJISGSA-N 1 2 397.313 3.738 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccccc3Br)CC2)c(OC)c1 ZINC001203326828 1027276554 /nfs/dbraw/zinc/27/65/54/1027276554.db2.gz AZXFSLFZCMCEMB-UHFFFAOYSA-N 1 2 391.309 3.789 20 10 GHCDLO COc1cccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1O ZINC001203601712 1027464216 /nfs/dbraw/zinc/46/42/16/1027464216.db2.gz HXMYNKVNVWRBKU-GOSISDBHSA-N 1 2 380.410 3.650 20 10 GHCDLO COc1cccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1O ZINC001203601712 1027464233 /nfs/dbraw/zinc/46/42/33/1027464233.db2.gz HXMYNKVNVWRBKU-GOSISDBHSA-N 1 2 380.410 3.650 20 10 GHCDLO Cc1cccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1Cl ZINC001217054321 1030125796 /nfs/dbraw/zinc/12/57/96/1030125796.db2.gz ACVLGEUJSPWFTO-UHFFFAOYSA-N 1 2 385.851 3.903 20 10 GHCDLO Cc1cc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)ccc1Cl ZINC001217054979 1030127346 /nfs/dbraw/zinc/12/73/46/1030127346.db2.gz NCTNQCDHLUJAMJ-UHFFFAOYSA-N 1 2 385.851 3.903 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584855 1030213033 /nfs/dbraw/zinc/21/30/33/1030213033.db2.gz YKDVTHVRLQOQRV-LJQANCHMSA-N 1 2 384.495 3.835 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584855 1030213053 /nfs/dbraw/zinc/21/30/53/1030213053.db2.gz YKDVTHVRLQOQRV-LJQANCHMSA-N 1 2 384.495 3.835 20 10 GHCDLO [O-]c1cccc(F)c1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584855 1030213061 /nfs/dbraw/zinc/21/30/61/1030213061.db2.gz YKDVTHVRLQOQRV-LJQANCHMSA-N 1 2 384.495 3.835 20 10 GHCDLO [O-]c1cccc(F)c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584855 1030213083 /nfs/dbraw/zinc/21/30/83/1030213083.db2.gz YKDVTHVRLQOQRV-LJQANCHMSA-N 1 2 384.495 3.835 20 10 GHCDLO COc1ccc(C[N@@H+]2CCOc3c(Br)cccc3C2)c(O)c1OC ZINC001205634118 1033501600 /nfs/dbraw/zinc/50/16/00/1033501600.db2.gz OEFWLCVNSQHASZ-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO COc1ccc(C[N@H+]2CCOc3c(Br)cccc3C2)c(O)c1OC ZINC001205634118 1033501612 /nfs/dbraw/zinc/50/16/12/1033501612.db2.gz OEFWLCVNSQHASZ-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO COc1ccc(N2CC[NH+](CCc3c(Cl)nc(C)nc3Cl)CC2)c(C)c1 ZINC001207340201 1034287673 /nfs/dbraw/zinc/28/76/73/1034287673.db2.gz ALSLZGKINGFBGE-UHFFFAOYSA-N 1 2 395.334 3.774 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001207373960 1034315524 /nfs/dbraw/zinc/31/55/24/1034315524.db2.gz CJXFOOQDPJCTTN-MRXNPFEDSA-N 1 2 399.535 3.945 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001207373960 1034315542 /nfs/dbraw/zinc/31/55/42/1034315542.db2.gz CJXFOOQDPJCTTN-MRXNPFEDSA-N 1 2 399.535 3.945 20 10 GHCDLO CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001231910749 1034985622 /nfs/dbraw/zinc/98/56/22/1034985622.db2.gz RVIYRTBNEPDPDP-FQEVSTJZSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001231910749 1034985628 /nfs/dbraw/zinc/98/56/28/1034985628.db2.gz RVIYRTBNEPDPDP-FQEVSTJZSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cccc(Cl)c3O)C[C@@H]12 ZINC001231911066 1034985882 /nfs/dbraw/zinc/98/58/82/1034985882.db2.gz AHQXXLIDIYTTSE-IFMALSPDSA-N 1 2 384.907 3.810 20 10 GHCDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]12 ZINC001231911066 1034985891 /nfs/dbraw/zinc/98/58/91/1034985891.db2.gz AHQXXLIDIYTTSE-IFMALSPDSA-N 1 2 384.907 3.810 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc1Cl ZINC001232267908 1037989712 /nfs/dbraw/zinc/98/97/12/1037989712.db2.gz JQUCTMYVOPQWOX-STQMWFEESA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(O)c(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc1Cl ZINC001232267908 1037989714 /nfs/dbraw/zinc/98/97/14/1037989714.db2.gz JQUCTMYVOPQWOX-STQMWFEESA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cccc2c1CC[N@H+](Cc1ccc(I)cc1O)C2 ZINC001232977939 1038747071 /nfs/dbraw/zinc/74/70/71/1038747071.db2.gz RQKLDIOQXPLOQN-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO COc1cccc2c1CC[N@@H+](Cc1ccc(I)cc1O)C2 ZINC001232977939 1038747080 /nfs/dbraw/zinc/74/70/80/1038747080.db2.gz RQKLDIOQXPLOQN-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO CCOC(=O)C1(CC)CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233030549 1038782770 /nfs/dbraw/zinc/78/27/70/1038782770.db2.gz XLSUOULDJUPALZ-UHFFFAOYSA-N 1 2 388.277 3.849 20 10 GHCDLO COc1ccc(C[N@H+](C)Cc2c(O)cc(Br)cc2F)cc1OC ZINC001233030904 1038783710 /nfs/dbraw/zinc/78/37/10/1038783710.db2.gz RKWWHCAQEHVULP-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1ccc(C[N@@H+](C)Cc2c(O)cc(Br)cc2F)cc1OC ZINC001233030904 1038783725 /nfs/dbraw/zinc/78/37/25/1038783725.db2.gz RKWWHCAQEHVULP-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1ccc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3O)CC2)cc1 ZINC001233417981 1039277609 /nfs/dbraw/zinc/27/76/09/1039277609.db2.gz OYEAEPKRDMLQBQ-UHFFFAOYSA-N 1 2 380.410 3.737 20 10 GHCDLO CO[C@H](C[NH+]1CCN(Cc2cccc(C(F)(F)F)c2O)CC1)c1ccccc1 ZINC001233419325 1039279225 /nfs/dbraw/zinc/27/92/25/1039279225.db2.gz UAGSUICAHMIJSH-LJQANCHMSA-N 1 2 394.437 3.916 20 10 GHCDLO Oc1c(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cccc1OC(F)(F)F ZINC001233767817 1039601512 /nfs/dbraw/zinc/60/15/12/1039601512.db2.gz GUUACPPIJCFIQJ-MRXNPFEDSA-N 1 2 383.366 3.571 20 10 GHCDLO Oc1c(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cccc1OC(F)(F)F ZINC001233767817 1039601521 /nfs/dbraw/zinc/60/15/21/1039601521.db2.gz GUUACPPIJCFIQJ-MRXNPFEDSA-N 1 2 383.366 3.571 20 10 GHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001254622816 1040394685 /nfs/dbraw/zinc/39/46/85/1040394685.db2.gz CVSPJNDKTILFAK-QFIPXVFZSA-N 1 2 391.519 3.922 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](Cc3cc(F)cc(F)c3O)C[C@]2(C)C1 ZINC001462476673 1070286100 /nfs/dbraw/zinc/28/61/00/1070286100.db2.gz MMARVCPJOGJZKY-BGYRXZFFSA-N 1 2 382.451 3.749 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](Cc3cc(F)cc(F)c3O)C[C@]2(C)C1 ZINC001462476673 1070286109 /nfs/dbraw/zinc/28/61/09/1070286109.db2.gz MMARVCPJOGJZKY-BGYRXZFFSA-N 1 2 382.451 3.749 20 10 GHCDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993107 1041801182 /nfs/dbraw/zinc/80/11/82/1041801182.db2.gz SMIWBQKSUGJRDE-CWTRNNRKSA-N 1 2 399.318 3.634 20 10 GHCDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993107 1041801187 /nfs/dbraw/zinc/80/11/87/1041801187.db2.gz SMIWBQKSUGJRDE-CWTRNNRKSA-N 1 2 399.318 3.634 20 10 GHCDLO COc1ccc(C[NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c(O)c1Cl ZINC001236802433 1041905070 /nfs/dbraw/zinc/90/50/70/1041905070.db2.gz QGCYBNNCZMNHMX-UHFFFAOYSA-N 1 2 396.915 3.887 20 10 GHCDLO COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c([O-])c1Cl ZINC001236802931 1041905142 /nfs/dbraw/zinc/90/51/42/1041905142.db2.gz WRMLWVBGIIZFGI-GJZGRUSLSA-N 1 2 378.925 3.680 20 10 GHCDLO CCOc1ccccc1N1CC[NH+](Cc2ccc(OC)c(Cl)c2O)CC1 ZINC001236803478 1041905654 /nfs/dbraw/zinc/90/56/54/1041905654.db2.gz UWWAEOSXTOTQIA-UHFFFAOYSA-N 1 2 376.884 3.775 20 10 GHCDLO O=C1N(c2cccc(F)c2)CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237619676 1042286755 /nfs/dbraw/zinc/28/67/55/1042286755.db2.gz BGAHGFLCYJQXEP-UHFFFAOYSA-N 1 2 392.833 3.953 20 10 GHCDLO COC(=O)c1cccc2c1C[N@H+](Cc1cc(Br)c(C)cc1O)CC2 ZINC001237685915 1042325997 /nfs/dbraw/zinc/32/59/97/1042325997.db2.gz RYUMCFPTUOVCDA-UHFFFAOYSA-N 1 2 390.277 3.808 20 10 GHCDLO COC(=O)c1cccc2c1C[N@@H+](Cc1cc(Br)c(C)cc1O)CC2 ZINC001237685915 1042326004 /nfs/dbraw/zinc/32/60/04/1042326004.db2.gz RYUMCFPTUOVCDA-UHFFFAOYSA-N 1 2 390.277 3.808 20 10 GHCDLO OC[C@H]1CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001237783487 1042366959 /nfs/dbraw/zinc/36/69/59/1042366959.db2.gz JFJBJJLAULRKCK-JTQLQIEISA-N 1 2 382.220 3.768 20 10 GHCDLO OC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001237783487 1042366963 /nfs/dbraw/zinc/36/69/63/1042366963.db2.gz JFJBJJLAULRKCK-JTQLQIEISA-N 1 2 382.220 3.768 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237939919 1042430241 /nfs/dbraw/zinc/43/02/41/1042430241.db2.gz HVNYMUHMRGTDIV-GFCCVEGCSA-N 1 2 378.806 3.554 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237939919 1042430244 /nfs/dbraw/zinc/43/02/44/1042430244.db2.gz HVNYMUHMRGTDIV-GFCCVEGCSA-N 1 2 378.806 3.554 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3csc(-c4ccc(O)cc4)n3)CC2)cc1 ZINC001237978229 1042443095 /nfs/dbraw/zinc/44/30/95/1042443095.db2.gz UMGPWGWEUOZLEN-UHFFFAOYSA-N 1 2 381.501 3.847 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001293580341 1044249099 /nfs/dbraw/zinc/24/90/99/1044249099.db2.gz NUUZXZUQFJDWLB-CQSZACIVSA-N 1 2 382.485 3.659 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001293580341 1044249113 /nfs/dbraw/zinc/24/91/13/1044249113.db2.gz NUUZXZUQFJDWLB-CQSZACIVSA-N 1 2 382.485 3.659 20 10 GHCDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(O)ccc(F)c1Cl ZINC001279683626 1047912946 /nfs/dbraw/zinc/91/29/46/1047912946.db2.gz GVSKSCCSYVLJTF-BETUJISGSA-N 1 2 381.904 3.798 20 10 GHCDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(O)ccc(F)c1Cl ZINC001279683626 1047912949 /nfs/dbraw/zinc/91/29/49/1047912949.db2.gz GVSKSCCSYVLJTF-BETUJISGSA-N 1 2 381.904 3.798 20 10 GHCDLO O=C(Cc1ccsc1)N1CCC2(C[NH+](Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001279685598 1047915051 /nfs/dbraw/zinc/91/50/51/1047915051.db2.gz YPUOPXFLFGXVSP-UHFFFAOYSA-N 1 2 394.899 3.523 20 10 GHCDLO C[C@H](C[N@H+](C)Cc1cc(Br)cc(F)c1O)C(=O)OC(C)(C)C ZINC001308810884 1050104105 /nfs/dbraw/zinc/10/41/05/1050104105.db2.gz LIHOBIOZXVFTTO-SNVBAGLBSA-N 1 2 376.266 3.703 20 10 GHCDLO C[C@H](C[N@@H+](C)Cc1cc(Br)cc(F)c1O)C(=O)OC(C)(C)C ZINC001308810884 1050104111 /nfs/dbraw/zinc/10/41/11/1050104111.db2.gz LIHOBIOZXVFTTO-SNVBAGLBSA-N 1 2 376.266 3.703 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)c1O ZINC001308826277 1050110895 /nfs/dbraw/zinc/11/08/95/1050110895.db2.gz TUJQDWRZIVGTNW-KRWDZBQOSA-N 1 2 395.341 3.734 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)c1O ZINC001308826277 1050110897 /nfs/dbraw/zinc/11/08/97/1050110897.db2.gz TUJQDWRZIVGTNW-KRWDZBQOSA-N 1 2 395.341 3.734 20 10 GHCDLO Cn1ccc(C[N@H+](C)Cc2ccc(N3CCCCC3)c(Br)c2)n1 ZINC001308978063 1050239031 /nfs/dbraw/zinc/23/90/31/1050239031.db2.gz UNQGSXCGVROXEV-UHFFFAOYSA-N 1 2 377.330 3.805 20 10 GHCDLO Cn1ccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)c(Br)c2)n1 ZINC001308978063 1050239046 /nfs/dbraw/zinc/23/90/46/1050239046.db2.gz UNQGSXCGVROXEV-UHFFFAOYSA-N 1 2 377.330 3.805 20 10 GHCDLO C[C@H](c1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1)[NH+]1CCOCC1 ZINC001332822607 1051576881 /nfs/dbraw/zinc/57/68/81/1051576881.db2.gz QHILLORKCLAVHQ-CQSZACIVSA-N 1 2 389.883 3.761 20 10 GHCDLO COc1ccc(CNC(=[NH2+])NCc2cc(Cl)cc(Cl)c2O)cc1OC ZINC000849077374 1057583711 /nfs/dbraw/zinc/58/37/11/1057583711.db2.gz FHPCWHFKLKBIIQ-UHFFFAOYSA-N 1 2 384.263 3.530 20 10 GHCDLO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001459598217 1064138092 /nfs/dbraw/zinc/13/80/92/1064138092.db2.gz ORXDJDKLBFKVAB-HXUWFJFHSA-N 1 2 390.483 3.911 20 10 GHCDLO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001459598217 1064138094 /nfs/dbraw/zinc/13/80/94/1064138094.db2.gz ORXDJDKLBFKVAB-HXUWFJFHSA-N 1 2 390.483 3.911 20 10 GHCDLO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[NH+]1CCOCC1 ZINC001472649742 1073595876 /nfs/dbraw/zinc/59/58/76/1073595876.db2.gz VCQXWBMIZDVTAZ-NRFANRHFSA-N 1 2 397.475 3.595 20 10 GHCDLO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@H]1C ZINC001473403249 1073951102 /nfs/dbraw/zinc/95/11/02/1073951102.db2.gz SYSUNZOLRIFIFA-ARFHVFGLSA-N 1 2 390.483 3.909 20 10 GHCDLO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@H]1C ZINC001473403249 1073951104 /nfs/dbraw/zinc/95/11/04/1073951104.db2.gz SYSUNZOLRIFIFA-ARFHVFGLSA-N 1 2 390.483 3.909 20 10 GHCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1F ZINC001474351513 1074358366 /nfs/dbraw/zinc/35/83/66/1074358366.db2.gz WMNCDCVKNFCGQP-GOSISDBHSA-N 1 2 387.474 3.815 20 10 GHCDLO CN(C)c1cc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1F ZINC001474351513 1074358376 /nfs/dbraw/zinc/35/83/76/1074358376.db2.gz WMNCDCVKNFCGQP-GOSISDBHSA-N 1 2 387.474 3.815 20 10 GHCDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001474354804 1074359345 /nfs/dbraw/zinc/35/93/45/1074359345.db2.gz CXYVNPIDAULGES-GOSISDBHSA-N 1 2 394.357 3.540 20 10 GHCDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001474354804 1074359350 /nfs/dbraw/zinc/35/93/50/1074359350.db2.gz CXYVNPIDAULGES-GOSISDBHSA-N 1 2 394.357 3.540 20 10 GHCDLO O=C1[C@@H]([NH2+]Cc2ccc(F)c(F)c2O)CCN1c1ccc(C(F)(F)F)cc1 ZINC001474663581 1074504935 /nfs/dbraw/zinc/50/49/35/1074504935.db2.gz QUNIBIJAVKJMIW-AWEZNQCLSA-N 1 2 386.320 3.584 20 10 GHCDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccn1 ZINC000376470686 837456909 /nfs/dbraw/zinc/45/69/09/837456909.db2.gz GBRLWXTUTQGVHH-LJQANCHMSA-N 1 2 395.415 3.592 20 10 GHCDLO CC(=O)c1csc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000134260202 839758181 /nfs/dbraw/zinc/75/81/81/839758181.db2.gz CJLDKWODMCPZBU-MRXNPFEDSA-N 1 2 392.908 3.704 20 10 GHCDLO CC(=O)c1csc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000134260202 839758190 /nfs/dbraw/zinc/75/81/90/839758190.db2.gz CJLDKWODMCPZBU-MRXNPFEDSA-N 1 2 392.908 3.704 20 10 GHCDLO COc1ccc(N2CCC[N@H+](CC(=O)Nc3ccc(F)cc3Cl)CC2)cc1 ZINC000053772128 840683744 /nfs/dbraw/zinc/68/37/44/840683744.db2.gz CDLCJTDNRGMHKU-UHFFFAOYSA-N 1 2 391.874 3.639 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3Cl)CC2)cc1 ZINC000053772128 840683748 /nfs/dbraw/zinc/68/37/48/840683748.db2.gz CDLCJTDNRGMHKU-UHFFFAOYSA-N 1 2 391.874 3.639 20 10 GHCDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(C)cc(Br)c1O)C2 ZINC000781898832 841285679 /nfs/dbraw/zinc/28/56/79/841285679.db2.gz DSWYVUOVLTZVGP-UHFFFAOYSA-N 1 2 389.293 3.980 20 10 GHCDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(C)cc(Br)c1O)C2 ZINC000781898832 841285685 /nfs/dbraw/zinc/28/56/85/841285685.db2.gz DSWYVUOVLTZVGP-UHFFFAOYSA-N 1 2 389.293 3.980 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278214655 849686743 /nfs/dbraw/zinc/68/67/43/849686743.db2.gz KOQSOKAMKRWOBC-UHFFFAOYSA-N 1 2 388.264 3.626 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278214655 849686748 /nfs/dbraw/zinc/68/67/48/849686748.db2.gz KOQSOKAMKRWOBC-UHFFFAOYSA-N 1 2 388.264 3.626 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000734649415 864367430 /nfs/dbraw/zinc/36/74/30/864367430.db2.gz GCFQFNNWPGOVQU-GOSISDBHSA-N 1 2 396.535 3.776 20 10 GHCDLO COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000729577025 865265612 /nfs/dbraw/zinc/26/56/12/865265612.db2.gz ZZACDICLCVCULB-HOTGVXAUSA-N 1 2 399.491 3.677 20 10 GHCDLO Cc1cn2cc(NC(=O)NCc3ccc(N4CCSCC4)cc3)ccc2[nH+]1 ZINC000738920927 865673606 /nfs/dbraw/zinc/67/36/06/865673606.db2.gz XKQDYKRVBIMSFW-UHFFFAOYSA-N 1 2 381.505 3.518 20 10 GHCDLO COc1cccc2c(NCc3ccc(N4CCC(O)CC4)c(F)c3)cc[nH+]c12 ZINC000302443121 865817376 /nfs/dbraw/zinc/81/73/76/865817376.db2.gz NMFRRBPEMOPJMJ-UHFFFAOYSA-N 1 2 381.451 3.956 20 10 GHCDLO OC[C@@H](CC1CCC1)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000793320386 882099577 /nfs/dbraw/zinc/09/95/77/882099577.db2.gz CNSDUICFAZUFQZ-GFCCVEGCSA-N 1 2 393.119 3.558 20 10 GHCDLO COCCC1([NH2+]Cc2cc(Br)cc(Br)c2O)CCC1 ZINC000793330319 882108924 /nfs/dbraw/zinc/10/89/24/882108924.db2.gz WIANOSPXJMNEQO-UHFFFAOYSA-N 1 2 393.119 3.966 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000857450365 882270537 /nfs/dbraw/zinc/27/05/37/882270537.db2.gz UWPBXASPAUOKNK-UHFFFAOYSA-N 1 2 381.520 3.636 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCN(Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC000775637310 872166252 /nfs/dbraw/zinc/16/62/52/872166252.db2.gz OVSTYQBHRMCRKV-UHFFFAOYSA-N 1 2 378.875 3.901 20 10 GHCDLO COc1ccc(C[N@H+]2CCCN(Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC000775637310 872166263 /nfs/dbraw/zinc/16/62/63/872166263.db2.gz OVSTYQBHRMCRKV-UHFFFAOYSA-N 1 2 378.875 3.901 20 10 GHCDLO CCOC(=O)C[N@H+](CCOc1ccc(Cl)c(F)c1)Cc1ccccc1O ZINC001195358103 872347116 /nfs/dbraw/zinc/34/71/16/872347116.db2.gz LIFLXZDQOYYYDR-UHFFFAOYSA-N 1 2 381.831 3.629 20 10 GHCDLO CCOC(=O)C[N@@H+](CCOc1ccc(Cl)c(F)c1)Cc1ccccc1O ZINC001195358103 872347131 /nfs/dbraw/zinc/34/71/31/872347131.db2.gz LIFLXZDQOYYYDR-UHFFFAOYSA-N 1 2 381.831 3.629 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(Br)c(F)cc1O ZINC000857875579 882605041 /nfs/dbraw/zinc/60/50/41/882605041.db2.gz ULBJHERAQIVHBJ-BMLIUANNSA-N 1 2 393.256 3.658 20 10 GHCDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000775654154 872388648 /nfs/dbraw/zinc/38/86/48/872388648.db2.gz TZQJUFLRRSDPBU-CYBMUJFWSA-N 1 2 377.847 3.739 20 10 GHCDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC000775654154 872388668 /nfs/dbraw/zinc/38/86/68/872388668.db2.gz TZQJUFLRRSDPBU-CYBMUJFWSA-N 1 2 377.847 3.739 20 10 GHCDLO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1)c1ccccc1 ZINC000775669232 872586442 /nfs/dbraw/zinc/58/64/42/872586442.db2.gz HTJXDYCHVWLFKZ-CQSZACIVSA-N 1 2 376.859 3.827 20 10 GHCDLO O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)c1ccccc1 ZINC000775669232 872586450 /nfs/dbraw/zinc/58/64/50/872586450.db2.gz HTJXDYCHVWLFKZ-CQSZACIVSA-N 1 2 376.859 3.827 20 10 GHCDLO OCC[N@@H+](Cc1cccc(Cl)c1O)Cc1cc(Br)ccc1F ZINC000775668738 872598449 /nfs/dbraw/zinc/59/84/49/872598449.db2.gz JLODQQCEEHHGHN-UHFFFAOYSA-N 1 2 388.664 3.942 20 10 GHCDLO OCC[N@H+](Cc1cccc(Cl)c1O)Cc1cc(Br)ccc1F ZINC000775668738 872598463 /nfs/dbraw/zinc/59/84/63/872598463.db2.gz JLODQQCEEHHGHN-UHFFFAOYSA-N 1 2 388.664 3.942 20 10 GHCDLO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3sc4ccccc4c3C)CC2)c1 ZINC000775716560 873088596 /nfs/dbraw/zinc/08/85/96/873088596.db2.gz CYSNLZLZQRBSJI-UHFFFAOYSA-N 1 2 396.512 3.882 20 10 GHCDLO O=C(N1CC[NH+](Cc2c(O)cccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000768226853 873176665 /nfs/dbraw/zinc/17/66/65/873176665.db2.gz CPBZNBVCDBLFAT-UHFFFAOYSA-N 1 2 388.939 3.906 20 10 GHCDLO COc1ccccc1C(=O)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768251291 873191282 /nfs/dbraw/zinc/19/12/82/873191282.db2.gz AIBBFTKHRZITSA-UHFFFAOYSA-N 1 2 393.531 3.644 20 10 GHCDLO C[N@H+](Cc1cccc(Br)c1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000768242876 873203620 /nfs/dbraw/zinc/20/36/20/873203620.db2.gz DNGYSGSDYSLQCS-QGZVFWFLSA-N 1 2 375.310 3.861 20 10 GHCDLO C[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000768242876 873203637 /nfs/dbraw/zinc/20/36/37/873203637.db2.gz DNGYSGSDYSLQCS-QGZVFWFLSA-N 1 2 375.310 3.861 20 10 GHCDLO O=C(Nc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1)[C@@H]1CCCO1 ZINC001199701057 875157119 /nfs/dbraw/zinc/15/71/19/875157119.db2.gz OHYSLAXEENEVMZ-KRWDZBQOSA-N 1 2 378.831 3.592 20 10 GHCDLO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+](C)CCc3cnccn3)c2C)c1 ZINC000771466053 875298083 /nfs/dbraw/zinc/29/80/83/875298083.db2.gz YXTSVHCMULZXGN-UHFFFAOYSA-N 1 2 394.544 3.963 20 10 GHCDLO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+](C)CCc3cnccn3)c2C)c1 ZINC000771466053 875298096 /nfs/dbraw/zinc/29/80/96/875298096.db2.gz YXTSVHCMULZXGN-UHFFFAOYSA-N 1 2 394.544 3.963 20 10 GHCDLO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCN1c1ccc(C(F)(F)F)cc1 ZINC000776186397 875694158 /nfs/dbraw/zinc/69/41/58/875694158.db2.gz YCOLKTJWKUTIOT-HNNXBMFYSA-N 1 2 384.785 3.960 20 10 GHCDLO CN1CCO[C@@H]([C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)c2ccc(Cl)cc2)C1 ZINC000776253209 876032826 /nfs/dbraw/zinc/03/28/26/876032826.db2.gz LCZCHLLUNQJHLK-MSOLQXFVSA-N 1 2 399.293 4.000 20 10 GHCDLO C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cc(Br)cc(F)c1O ZINC000850574334 877039579 /nfs/dbraw/zinc/03/95/79/877039579.db2.gz XMHMAQFAJRCIGW-LLVKDONJSA-N 1 2 387.293 3.770 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000858449706 883104352 /nfs/dbraw/zinc/10/43/52/883104352.db2.gz RPXMLDNVPJODLQ-PELKAZGASA-N 1 2 396.182 3.945 20 10 GHCDLO CCOC(=O)[C@](C)(C[NH2+]Cc1cccc(Br)c1O)c1ccccc1 ZINC000787436938 877423463 /nfs/dbraw/zinc/42/34/63/877423463.db2.gz KRBNPEWWPAZESK-LJQANCHMSA-N 1 2 392.293 3.765 20 10 GHCDLO Cc1cccn2cc(CCNC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)[nH+]c12 ZINC000746777018 878525311 /nfs/dbraw/zinc/52/53/11/878525311.db2.gz ZAIVBSSPQJJRFZ-UHFFFAOYSA-N 1 2 393.535 3.871 20 10 GHCDLO CCC[N@H+](CCOC)Cc1cc(Br)cc(Br)c1O ZINC001203561995 912373411 /nfs/dbraw/zinc/37/34/11/912373411.db2.gz AJPKKEJPWROSEX-UHFFFAOYSA-N 1 2 381.108 3.776 20 10 GHCDLO CCC[N@@H+](CCOC)Cc1cc(Br)cc(Br)c1O ZINC001203561995 912373431 /nfs/dbraw/zinc/37/34/31/912373431.db2.gz AJPKKEJPWROSEX-UHFFFAOYSA-N 1 2 381.108 3.776 20 10 GHCDLO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Br)cc(F)c1O ZINC000184988742 883408934 /nfs/dbraw/zinc/40/89/34/883408934.db2.gz ZIPABSRHUZDKHH-LLVKDONJSA-N 1 2 391.244 3.725 20 10 GHCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000804858782 883439159 /nfs/dbraw/zinc/43/91/59/883439159.db2.gz HMYMRZHFFBJTAO-HNNXBMFYSA-N 1 2 398.290 3.928 20 10 GHCDLO Cc1ccc([C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000862353072 886312902 /nfs/dbraw/zinc/31/29/02/886312902.db2.gz SMKKAFTWDPXKIB-VBKZILBWSA-N 1 2 396.503 3.603 20 10 GHCDLO COC(=O)c1cnc(C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)s1 ZINC000862473902 886397140 /nfs/dbraw/zinc/39/71/40/886397140.db2.gz ICPYXNDSRDROIH-UHFFFAOYSA-N 1 2 384.860 3.807 20 10 GHCDLO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1=CC(=O)CS1 ZINC000762578830 886439452 /nfs/dbraw/zinc/43/94/52/886439452.db2.gz MAYWLBNLHFBIRC-UHFFFAOYSA-N 1 2 395.322 3.611 20 10 GHCDLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809558351 887573785 /nfs/dbraw/zinc/57/37/85/887573785.db2.gz YUHGWMIRQQAOEN-UHFFFAOYSA-N 1 2 383.499 3.924 20 10 GHCDLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809558351 887573795 /nfs/dbraw/zinc/57/37/95/887573795.db2.gz YUHGWMIRQQAOEN-UHFFFAOYSA-N 1 2 383.499 3.924 20 10 GHCDLO C[C@@](CO)([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Br)cc1 ZINC000809695553 887669999 /nfs/dbraw/zinc/66/99/99/887669999.db2.gz OMIJBRXNYYZWFR-INIZCTEOSA-N 1 2 388.664 3.945 20 10 GHCDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809723780 887749930 /nfs/dbraw/zinc/74/99/30/887749930.db2.gz ORTWJHUECTZPDB-CQSZACIVSA-N 1 2 385.302 3.598 20 10 GHCDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809723780 887749942 /nfs/dbraw/zinc/74/99/42/887749942.db2.gz ORTWJHUECTZPDB-CQSZACIVSA-N 1 2 385.302 3.598 20 10 GHCDLO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1[O-] ZINC000809749886 887787098 /nfs/dbraw/zinc/78/70/98/887787098.db2.gz SNTONEYMNBXLSP-UHFFFAOYSA-N 1 2 378.860 3.843 20 10 GHCDLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1O ZINC000794842667 888422642 /nfs/dbraw/zinc/42/26/42/888422642.db2.gz SBACQMSUXWQERH-OTYXRUKQSA-N 1 2 377.309 3.953 20 10 GHCDLO CSCCCN1C(=O)/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000205801132 888679091 /nfs/dbraw/zinc/67/90/91/888679091.db2.gz WYUJNVFISLJAJD-PTNGSMBKSA-N 1 2 375.544 3.827 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000153844481 888715073 /nfs/dbraw/zinc/71/50/73/888715073.db2.gz YGBHLTJNWRKKTD-AWEZNQCLSA-N 1 2 385.302 3.548 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cc(C)ccc3C)CC2)cc1F ZINC000122006029 889300216 /nfs/dbraw/zinc/30/02/16/889300216.db2.gz YNXPIVOJCRENKZ-KRWDZBQOSA-N 1 2 385.483 3.600 20 10 GHCDLO Cc1cc(CCNC(=O)NCCCCn2cc[nH+]c2)c(C)n1-c1ccccc1 ZINC000918139791 893254650 /nfs/dbraw/zinc/25/46/50/893254650.db2.gz ZFMQWPGETUBUBW-UHFFFAOYSA-N 1 2 379.508 3.613 20 10 GHCDLO CC[C@H](Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1)c1ccc(N(C)C)cc1 ZINC000815655719 894070362 /nfs/dbraw/zinc/07/03/62/894070362.db2.gz ZXNPQKBUNHNHRP-FQEVSTJZSA-N 1 2 397.523 3.599 20 10 GHCDLO CCN(C)c1ccc([C@H](C)Nc2ccc(N3CCN(C(=O)OC)CC3)[nH+]c2)cc1 ZINC000815654313 894098800 /nfs/dbraw/zinc/09/88/00/894098800.db2.gz HXXVNBKMOWCWAC-KRWDZBQOSA-N 1 2 397.523 3.599 20 10 GHCDLO C[C@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000878300061 894177074 /nfs/dbraw/zinc/17/70/74/894177074.db2.gz AOSWREVXXHQQJM-BBWFWOEESA-N 1 2 383.492 3.884 20 10 GHCDLO C[C@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000878300061 894177081 /nfs/dbraw/zinc/17/70/81/894177081.db2.gz AOSWREVXXHQQJM-BBWFWOEESA-N 1 2 383.492 3.884 20 10 GHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000816594593 894960501 /nfs/dbraw/zinc/96/05/01/894960501.db2.gz JLIUQMJPWLQEDN-UHFFFAOYSA-N 1 2 376.657 3.714 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000883089094 897272772 /nfs/dbraw/zinc/27/27/72/897272772.db2.gz AJCWASUBDFZLEH-UHFFFAOYSA-N 1 2 395.272 3.609 20 10 GHCDLO CO[C@@H]([C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000825098355 899952029 /nfs/dbraw/zinc/95/20/29/899952029.db2.gz HKJKJGMZWUKBHC-RTHLEPHNSA-N 1 2 393.119 3.820 20 10 GHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)cc2Cl)C1 ZINC000844140257 900550507 /nfs/dbraw/zinc/55/05/07/900550507.db2.gz VNSBLUXXVGQNQC-WBVHZDCISA-N 1 2 386.927 3.652 20 10 GHCDLO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(Br)c(F)cc1O)C2 ZINC001144300041 901651862 /nfs/dbraw/zinc/65/18/62/901651862.db2.gz PIYBMJARAWDTIX-SFHVURJKSA-N 1 2 399.304 3.661 20 10 GHCDLO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cc(Br)c(F)cc1O)C2 ZINC001144300041 901651928 /nfs/dbraw/zinc/65/19/28/901651928.db2.gz PIYBMJARAWDTIX-SFHVURJKSA-N 1 2 399.304 3.661 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001144307723 901699609 /nfs/dbraw/zinc/69/96/09/901699609.db2.gz GOZXIJSIDAMYTE-AWEZNQCLSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001144307723 901699613 /nfs/dbraw/zinc/69/96/13/901699613.db2.gz GOZXIJSIDAMYTE-AWEZNQCLSA-N 1 2 381.245 3.732 20 10 GHCDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000159839905 904202340 /nfs/dbraw/zinc/20/23/40/904202340.db2.gz QCFYCJLOORIRLO-CQSZACIVSA-N 1 2 396.607 3.775 20 10 GHCDLO COc1cccc(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1O ZINC000779611523 907885547 /nfs/dbraw/zinc/88/55/47/907885547.db2.gz KHQKGFPHUHWNBZ-HXUWFJFHSA-N 1 2 393.487 3.777 20 10 GHCDLO COc1cccc(C[N@H+]2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1O ZINC000779611523 907885558 /nfs/dbraw/zinc/88/55/58/907885558.db2.gz KHQKGFPHUHWNBZ-HXUWFJFHSA-N 1 2 393.487 3.777 20 10 GHCDLO OCC[N@@H+](Cc1cc(Br)ccc1F)Cc1cc(F)cc(F)c1O ZINC001204170020 907962280 /nfs/dbraw/zinc/96/22/80/907962280.db2.gz FXKAPAZHTDTAPR-UHFFFAOYSA-N 1 2 390.199 3.567 20 10 GHCDLO OCC[N@H+](Cc1cc(Br)ccc1F)Cc1cc(F)cc(F)c1O ZINC001204170020 907962286 /nfs/dbraw/zinc/96/22/86/907962286.db2.gz FXKAPAZHTDTAPR-UHFFFAOYSA-N 1 2 390.199 3.567 20 10 GHCDLO CC(=O)N(C)c1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001179177520 909415112 /nfs/dbraw/zinc/41/51/12/909415112.db2.gz FUKLFWADIORPKC-UHFFFAOYSA-N 1 2 381.245 3.566 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC000796339227 914891545 /nfs/dbraw/zinc/89/15/45/914891545.db2.gz SUGIRFWXSMTPSB-LPHOPBHVSA-N 1 2 394.437 3.770 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC000796339227 914891567 /nfs/dbraw/zinc/89/15/67/914891567.db2.gz SUGIRFWXSMTPSB-LPHOPBHVSA-N 1 2 394.437 3.770 20 10 GHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NCCc1ccc(Cl)cc1 ZINC000096970899 915312809 /nfs/dbraw/zinc/31/28/09/915312809.db2.gz INAXARNMCWIDMN-UHFFFAOYSA-N 1 2 398.890 4.000 20 10 GHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NCCc1ccc(Cl)cc1 ZINC000096970899 915312828 /nfs/dbraw/zinc/31/28/28/915312828.db2.gz INAXARNMCWIDMN-UHFFFAOYSA-N 1 2 398.890 4.000 20 10 GHCDLO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(Br)c2O)c1 ZINC000775150761 915580567 /nfs/dbraw/zinc/58/05/67/915580567.db2.gz AGIPNVSKWUZHCQ-GFCCVEGCSA-N 1 2 393.281 3.670 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000750047286 927404220 /nfs/dbraw/zinc/40/42/20/927404220.db2.gz MKKNSOROBBBEFJ-SJCJKPOMSA-N 1 2 396.915 3.983 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000750047286 927404224 /nfs/dbraw/zinc/40/42/24/927404224.db2.gz MKKNSOROBBBEFJ-SJCJKPOMSA-N 1 2 396.915 3.983 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000750822874 927876013 /nfs/dbraw/zinc/87/60/13/927876013.db2.gz LKYXONUSRDHBOI-INIZCTEOSA-N 1 2 380.460 3.565 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000750822874 927876025 /nfs/dbraw/zinc/87/60/25/927876025.db2.gz LKYXONUSRDHBOI-INIZCTEOSA-N 1 2 380.460 3.565 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000750822877 927876236 /nfs/dbraw/zinc/87/62/36/927876236.db2.gz LKYXONUSRDHBOI-MRXNPFEDSA-N 1 2 380.460 3.565 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000750822877 927876249 /nfs/dbraw/zinc/87/62/49/927876249.db2.gz LKYXONUSRDHBOI-MRXNPFEDSA-N 1 2 380.460 3.565 20 10 GHCDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781913340 931024950 /nfs/dbraw/zinc/02/49/50/931024950.db2.gz SJADREJMDFHSGK-CVEARBPZSA-N 1 2 383.330 3.684 20 10 GHCDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781913340 931024952 /nfs/dbraw/zinc/02/49/52/931024952.db2.gz SJADREJMDFHSGK-CVEARBPZSA-N 1 2 383.330 3.684 20 10 GHCDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cccc(Br)c1O ZINC000800543469 1021318440 /nfs/dbraw/zinc/31/84/40/1021318440.db2.gz CFIWAXUAPZBLEY-AWEZNQCLSA-N 1 2 391.309 3.806 20 10 GHCDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000800543469 1021318460 /nfs/dbraw/zinc/31/84/60/1021318460.db2.gz CFIWAXUAPZBLEY-AWEZNQCLSA-N 1 2 391.309 3.806 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)Cc2ncn(CC3CC3)c21 ZINC001140338350 1021445639 /nfs/dbraw/zinc/44/56/39/1021445639.db2.gz GKVCNTRAISCLHI-OAHLLOKOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)Cc2ncn(CC3CC3)c21 ZINC001140338350 1021445646 /nfs/dbraw/zinc/44/56/46/1021445646.db2.gz GKVCNTRAISCLHI-OAHLLOKOSA-N 1 2 375.900 3.788 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1cc(Br)c(F)cc1O ZINC000834910931 1021674622 /nfs/dbraw/zinc/67/46/22/1021674622.db2.gz GODCTAIHSNTGNR-XMZIXOGTSA-N 1 2 398.276 3.598 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCC1(F)F ZINC001140464371 1021755167 /nfs/dbraw/zinc/75/51/67/1021755167.db2.gz MXIDGPNWCPTGGU-CQSZACIVSA-N 1 2 376.831 3.780 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCC1(F)F ZINC001140464371 1021755180 /nfs/dbraw/zinc/75/51/80/1021755180.db2.gz MXIDGPNWCPTGGU-CQSZACIVSA-N 1 2 376.831 3.780 20 10 GHCDLO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140584503 1022008194 /nfs/dbraw/zinc/00/81/94/1022008194.db2.gz UNJKRNMLVMXCGJ-ICSRJNTNSA-N 1 2 375.415 3.982 20 10 GHCDLO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140584503 1022008206 /nfs/dbraw/zinc/00/82/06/1022008206.db2.gz UNJKRNMLVMXCGJ-ICSRJNTNSA-N 1 2 375.415 3.982 20 10 GHCDLO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)C2 ZINC000756395081 1023626943 /nfs/dbraw/zinc/62/69/43/1023626943.db2.gz GPSIYLNKEUQLKZ-SKDRFNHKSA-N 1 2 380.261 3.600 20 10 GHCDLO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc(F)cc(F)c1O ZINC000756410059 1023632641 /nfs/dbraw/zinc/63/26/41/1023632641.db2.gz CWCAZSKJVVLLGF-GFCCVEGCSA-N 1 2 378.394 3.765 20 10 GHCDLO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756420807 1023638990 /nfs/dbraw/zinc/63/89/90/1023638990.db2.gz WVTUCNDBULSXST-VIFPVBQESA-N 1 2 387.215 3.829 20 10 GHCDLO C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(F)c1O ZINC000756502662 1023686634 /nfs/dbraw/zinc/68/66/34/1023686634.db2.gz KIJQHQWFJSTMBU-VFZGTOFNSA-N 1 2 377.309 3.953 20 10 GHCDLO C[C@H]([NH2+]CCOCC1CC1)c1cc(Br)cc(Br)c1O ZINC000756550614 1023710621 /nfs/dbraw/zinc/71/06/21/1023710621.db2.gz JFTGNUUXIGNDJJ-VIFPVBQESA-N 1 2 393.119 3.994 20 10 GHCDLO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Br)cc(Cl)c1O ZINC000756583381 1023721415 /nfs/dbraw/zinc/72/14/15/1023721415.db2.gz NLVQKOCVYKOGDP-PWSUYJOCSA-N 1 2 378.694 3.654 20 10 GHCDLO CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3cc(F)cc(F)c3O)cc2)CC1 ZINC000756804666 1023820987 /nfs/dbraw/zinc/82/09/87/1023820987.db2.gz NLHFMLWLPCJGDZ-HNNXBMFYSA-N 1 2 375.463 3.981 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(O)ccc2O)[C@@H](c2ccccc2)C1 ZINC001141156211 1023981579 /nfs/dbraw/zinc/98/15/79/1023981579.db2.gz HCKOCUHEJJYMTQ-LJQANCHMSA-N 1 2 384.476 3.892 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(O)ccc2O)[C@@H](c2ccccc2)C1 ZINC001141156211 1023981581 /nfs/dbraw/zinc/98/15/81/1023981581.db2.gz HCKOCUHEJJYMTQ-LJQANCHMSA-N 1 2 384.476 3.892 20 10 GHCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000831707266 1024767626 /nfs/dbraw/zinc/76/76/26/1024767626.db2.gz YZWIOWPCHRFDRW-XLIONFOSSA-N 1 2 375.472 3.941 20 10 GHCDLO CC(C)(C)OC(=O)Nc1cccnc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138408332 1024790321 /nfs/dbraw/zinc/79/03/21/1024790321.db2.gz DTYOPMGQDVIZGX-UHFFFAOYSA-N 1 2 385.464 3.788 20 10 GHCDLO CC(C)(C)OC(=O)Nc1cccnc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138408332 1024790333 /nfs/dbraw/zinc/79/03/33/1024790333.db2.gz DTYOPMGQDVIZGX-UHFFFAOYSA-N 1 2 385.464 3.788 20 10 GHCDLO Cc1ccc([C@@]2(C)C[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)CCO2)cc1 ZINC001139131308 1025942953 /nfs/dbraw/zinc/94/29/53/1025942953.db2.gz NPCQXCJKTHBNEN-HSZRJFAPSA-N 1 2 379.456 3.863 20 10 GHCDLO Cc1ccc([C@@]2(C)C[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)CCO2)cc1 ZINC001139131308 1025942954 /nfs/dbraw/zinc/94/29/54/1025942954.db2.gz NPCQXCJKTHBNEN-HSZRJFAPSA-N 1 2 379.456 3.863 20 10 GHCDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839530210 1026016600 /nfs/dbraw/zinc/01/66/00/1026016600.db2.gz NPXMMQODGCUGPA-MRXNPFEDSA-N 1 2 388.581 3.950 20 10 GHCDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839530210 1026016619 /nfs/dbraw/zinc/01/66/19/1026016619.db2.gz NPXMMQODGCUGPA-MRXNPFEDSA-N 1 2 388.581 3.950 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000839579409 1026074917 /nfs/dbraw/zinc/07/49/17/1026074917.db2.gz SYXSHYBBXOCGAG-UHFFFAOYSA-N 1 2 393.453 3.823 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000839579409 1026074937 /nfs/dbraw/zinc/07/49/37/1026074937.db2.gz SYXSHYBBXOCGAG-UHFFFAOYSA-N 1 2 393.453 3.823 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000839916264 1026344890 /nfs/dbraw/zinc/34/48/90/1026344890.db2.gz QKUKGCMMVHNDBR-GOSISDBHSA-N 1 2 376.504 3.667 20 10 GHCDLO COc1ccncc1C[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001139611445 1026474453 /nfs/dbraw/zinc/47/44/53/1026474453.db2.gz SJZVKMNAIJELQG-UHFFFAOYSA-N 1 2 389.499 3.991 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1c(O)cccc1Br)C2 ZINC001140101076 1026878770 /nfs/dbraw/zinc/87/87/70/1026878770.db2.gz JEXBKKUZFORVCR-UHFFFAOYSA-N 1 2 396.306 3.951 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC001140101076 1026878782 /nfs/dbraw/zinc/87/87/82/1026878782.db2.gz JEXBKKUZFORVCR-UHFFFAOYSA-N 1 2 396.306 3.951 20 10 GHCDLO Cc1cncc(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)n1 ZINC001203180693 1027224178 /nfs/dbraw/zinc/22/41/78/1027224178.db2.gz XWCGWFZTBMFKTA-UHFFFAOYSA-N 1 2 385.471 3.915 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@]1(C)O ZINC001203565314 1027436507 /nfs/dbraw/zinc/43/65/07/1027436507.db2.gz ZXZXHGKYURLWEB-YMTOWFKASA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@]1(C)O ZINC001203565314 1027436517 /nfs/dbraw/zinc/43/65/17/1027436517.db2.gz ZXZXHGKYURLWEB-YMTOWFKASA-N 1 2 393.119 3.510 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001203564530 1027437047 /nfs/dbraw/zinc/43/70/47/1027437047.db2.gz MBYKFFZXLOVYSQ-CQSZACIVSA-N 1 2 391.103 3.672 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001203564530 1027437056 /nfs/dbraw/zinc/43/70/56/1027437056.db2.gz MBYKFFZXLOVYSQ-CQSZACIVSA-N 1 2 391.103 3.672 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001203568844 1027438315 /nfs/dbraw/zinc/43/83/15/1027438315.db2.gz XTCJNBUSLCRRJL-TVQRCGJNSA-N 1 2 391.103 3.528 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@@H]1Cc1ccccc1 ZINC001203874874 1027675765 /nfs/dbraw/zinc/67/57/65/1027675765.db2.gz DUENQGSNTLIWPH-IBGZPJMESA-N 1 2 398.503 3.762 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)c(O)c2)C[C@@H]1Cc1ccccc1 ZINC001203874874 1027675773 /nfs/dbraw/zinc/67/57/73/1027675773.db2.gz DUENQGSNTLIWPH-IBGZPJMESA-N 1 2 398.503 3.762 20 10 GHCDLO OC[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)C1 ZINC000840977428 1028017885 /nfs/dbraw/zinc/01/78/85/1028017885.db2.gz HQJFSPKNAASYME-CABZTGNLSA-N 1 2 393.119 3.558 20 10 GHCDLO OC[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)C[C@H]1c1ccc(F)cc1 ZINC001461436954 1069549864 /nfs/dbraw/zinc/54/98/64/1069549864.db2.gz SDLLIZVXKZCDSP-MAUKXSAKSA-N 1 2 398.247 3.689 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520979 1029024347 /nfs/dbraw/zinc/02/43/47/1029024347.db2.gz SGOAGJNCMKUGEH-UHFFFAOYSA-N 1 2 396.441 3.791 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520979 1029024357 /nfs/dbraw/zinc/02/43/57/1029024357.db2.gz SGOAGJNCMKUGEH-UHFFFAOYSA-N 1 2 396.441 3.791 20 10 GHCDLO Oc1c(CNc2cc(N3CCSCC3)nc[nH+]2)cc(Cl)c2cccnc12 ZINC001157728094 1033743327 /nfs/dbraw/zinc/74/33/27/1033743327.db2.gz ZCUSAJDZYLOXGI-UHFFFAOYSA-N 1 2 387.896 3.549 20 10 GHCDLO CCOc1ccc(N2CC[NH+](CCc3c(Cl)nc(C)nc3Cl)CC2)cc1 ZINC001207340347 1034286974 /nfs/dbraw/zinc/28/69/74/1034286974.db2.gz DSNQIADTHIQMOQ-UHFFFAOYSA-N 1 2 395.334 3.855 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2CCc3onc(COc4ccccn4)c3C2)cc1Cl ZINC001231869335 1034956126 /nfs/dbraw/zinc/95/61/26/1034956126.db2.gz LRPPTFRCKDCZJS-UHFFFAOYSA-N 1 2 385.851 3.874 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2CCc3onc(COc4ccccn4)c3C2)cc1Cl ZINC001231869335 1034956137 /nfs/dbraw/zinc/95/61/37/1034956137.db2.gz LRPPTFRCKDCZJS-UHFFFAOYSA-N 1 2 385.851 3.874 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)Cc2c1cnn2CC1CC1 ZINC001231910265 1034984664 /nfs/dbraw/zinc/98/46/64/1034984664.db2.gz MAARKTYPIGNTMR-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)Cc2c1cnn2CC1CC1 ZINC001231910265 1034984668 /nfs/dbraw/zinc/98/46/68/1034984668.db2.gz MAARKTYPIGNTMR-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001231911226 1034985246 /nfs/dbraw/zinc/98/52/46/1034985246.db2.gz GHVKTCIFRVRRKZ-GOSISDBHSA-N 1 2 384.907 3.884 20 10 GHCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)CC(C)(C)Oc1ccccc1 ZINC001461976488 1069925029 /nfs/dbraw/zinc/92/50/29/1069925029.db2.gz RMTQJHLUKYHMEZ-UHFFFAOYSA-N 1 2 377.868 3.878 20 10 GHCDLO COC(=O)c1c(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c2ccccc2n1C ZINC001232404760 1038186967 /nfs/dbraw/zinc/18/69/67/1038186967.db2.gz YLKVJLBGVIFEFP-HRAATJIYSA-N 1 2 378.472 3.927 20 10 GHCDLO COC(=O)c1c(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c2ccccc2n1C ZINC001232404760 1038186977 /nfs/dbraw/zinc/18/69/77/1038186977.db2.gz YLKVJLBGVIFEFP-HRAATJIYSA-N 1 2 378.472 3.927 20 10 GHCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3Cc4ccncc4C3)c2)nc1C ZINC001232454035 1038238572 /nfs/dbraw/zinc/23/85/72/1038238572.db2.gz RFTPCHDKKYEVTP-UHFFFAOYSA-N 1 2 395.484 3.912 20 10 GHCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3Cc4ccncc4C3)c2)nc1C ZINC001232454035 1038238581 /nfs/dbraw/zinc/23/85/81/1038238581.db2.gz RFTPCHDKKYEVTP-UHFFFAOYSA-N 1 2 395.484 3.912 20 10 GHCDLO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233030636 1038781755 /nfs/dbraw/zinc/78/17/55/1038781755.db2.gz JAGOQNCXCVLHDW-SFHVURJKSA-N 1 2 399.304 3.517 20 10 GHCDLO CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1c(O)cc(Br)cc1F)C2 ZINC001233030636 1038781761 /nfs/dbraw/zinc/78/17/61/1038781761.db2.gz JAGOQNCXCVLHDW-SFHVURJKSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)cc(Br)cc1F ZINC001233030424 1038783615 /nfs/dbraw/zinc/78/36/15/1038783615.db2.gz SPEVIPHPBVXJBM-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)cc(Br)cc1F ZINC001233030424 1038783631 /nfs/dbraw/zinc/78/36/31/1038783631.db2.gz SPEVIPHPBVXJBM-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c(O)c1Cl ZINC001277835325 1039890285 /nfs/dbraw/zinc/89/02/85/1039890285.db2.gz XFTWRLBCDNORJU-FQEVSTJZSA-N 1 2 378.900 3.564 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c(O)c1Cl ZINC001277835325 1039890311 /nfs/dbraw/zinc/89/03/11/1039890311.db2.gz XFTWRLBCDNORJU-FQEVSTJZSA-N 1 2 378.900 3.564 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001235066184 1040555339 /nfs/dbraw/zinc/55/53/39/1040555339.db2.gz YNENSKMUZMTXJU-OAHLLOKOSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001235066184 1040555359 /nfs/dbraw/zinc/55/53/59/1040555359.db2.gz YNENSKMUZMTXJU-OAHLLOKOSA-N 1 2 381.245 3.732 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(F)cc(Br)c1O ZINC001235304752 1040779640 /nfs/dbraw/zinc/77/96/40/1040779640.db2.gz AJLPVESHEMRODJ-CYBMUJFWSA-N 1 2 388.277 3.990 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cc(F)cc(Br)c1O ZINC001235304752 1040779648 /nfs/dbraw/zinc/77/96/48/1040779648.db2.gz AJLPVESHEMRODJ-CYBMUJFWSA-N 1 2 388.277 3.990 20 10 GHCDLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235309952 1040783817 /nfs/dbraw/zinc/78/38/17/1040783817.db2.gz ZJENJIJGQHPDER-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235309952 1040783845 /nfs/dbraw/zinc/78/38/45/1040783845.db2.gz ZJENJIJGQHPDER-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO Oc1c(F)ccc(F)c1CN1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC001235792157 1041285793 /nfs/dbraw/zinc/28/57/93/1041285793.db2.gz LWHPKBYGKROBKW-MRXNPFEDSA-N 1 2 383.236 3.579 20 10 GHCDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cc(C)cc(Br)c1O)C2 ZINC001236668836 1041816535 /nfs/dbraw/zinc/81/65/35/1041816535.db2.gz DZWWCBGDIKSTDK-UHFFFAOYSA-N 1 2 390.277 3.808 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3c(Br)cccc3OC)CC2)cc1 ZINC001236670316 1041818383 /nfs/dbraw/zinc/81/83/83/1041818383.db2.gz QWVLSWCWLNXHBU-UHFFFAOYSA-N 1 2 391.309 3.789 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1CN1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001236790713 1041897048 /nfs/dbraw/zinc/89/70/48/1041897048.db2.gz SLHSBOVLRPPEHZ-ZWKOTPCHSA-N 1 2 378.303 3.943 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1CN1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001236790713 1041897054 /nfs/dbraw/zinc/89/70/54/1041897054.db2.gz SLHSBOVLRPPEHZ-ZWKOTPCHSA-N 1 2 378.303 3.943 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001236790713 1041897059 /nfs/dbraw/zinc/89/70/59/1041897059.db2.gz SLHSBOVLRPPEHZ-ZWKOTPCHSA-N 1 2 378.303 3.943 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001236790713 1041897064 /nfs/dbraw/zinc/89/70/64/1041897064.db2.gz SLHSBOVLRPPEHZ-ZWKOTPCHSA-N 1 2 378.303 3.943 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801551 1041903790 /nfs/dbraw/zinc/90/37/90/1041903790.db2.gz JHRHEKKTVJJJHM-DZGCQCFKSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801551 1041903793 /nfs/dbraw/zinc/90/37/93/1041903793.db2.gz JHRHEKKTVJJJHM-DZGCQCFKSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1Cl ZINC001236818304 1041915080 /nfs/dbraw/zinc/91/50/80/1041915080.db2.gz LQFJJHZSJYBCFF-NWANDNLSSA-N 1 2 396.915 3.789 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1Cl ZINC001236818304 1041915083 /nfs/dbraw/zinc/91/50/83/1041915083.db2.gz LQFJJHZSJYBCFF-NWANDNLSSA-N 1 2 396.915 3.789 20 10 GHCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237084589 1042028684 /nfs/dbraw/zinc/02/86/84/1042028684.db2.gz LMXAIDPDTFXZFN-GFCCVEGCSA-N 1 2 389.323 3.595 20 10 GHCDLO O=C(Cc1ccccc1)N1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237085064 1042028967 /nfs/dbraw/zinc/02/89/67/1042028967.db2.gz UIXKAEPEPJYHOV-UHFFFAOYSA-N 1 2 393.314 3.976 20 10 GHCDLO O=C1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1ccc(F)cc1 ZINC001237619416 1042286719 /nfs/dbraw/zinc/28/67/19/1042286719.db2.gz PWOZQWLJPNVZIK-HXUWFJFHSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1ccc(F)cc1 ZINC001237619416 1042286724 /nfs/dbraw/zinc/28/67/24/1042286724.db2.gz PWOZQWLJPNVZIK-HXUWFJFHSA-N 1 2 392.833 3.953 20 10 GHCDLO COc1cccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)c1 ZINC001237623497 1042289356 /nfs/dbraw/zinc/28/93/56/1042289356.db2.gz OHTTYNCXBSAGBL-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@H]1O ZINC001237783195 1042366195 /nfs/dbraw/zinc/36/61/95/1042366195.db2.gz FVEXGRDSOFGZCG-NOZJJQNGSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@H]1O ZINC001237783195 1042366197 /nfs/dbraw/zinc/36/61/97/1042366197.db2.gz FVEXGRDSOFGZCG-NOZJJQNGSA-N 1 2 382.220 3.766 20 10 GHCDLO Oc1c(C[N@@H+]2CCC[C@]23CCOC3)cc(Br)cc1C(F)(F)F ZINC001237792737 1042372684 /nfs/dbraw/zinc/37/26/84/1042372684.db2.gz UYDYJQKJPGZMOI-CQSZACIVSA-N 1 2 380.204 3.928 20 10 GHCDLO Oc1c(C[N@H+]2CCC[C@]23CCOC3)cc(Br)cc1C(F)(F)F ZINC001237792737 1042372688 /nfs/dbraw/zinc/37/26/88/1042372688.db2.gz UYDYJQKJPGZMOI-CQSZACIVSA-N 1 2 380.204 3.928 20 10 GHCDLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001237938072 1042429044 /nfs/dbraw/zinc/42/90/44/1042429044.db2.gz SFJRGDNVGXTHLQ-LRDDRELGSA-N 1 2 392.833 3.670 20 10 GHCDLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001237938072 1042429046 /nfs/dbraw/zinc/42/90/46/1042429046.db2.gz SFJRGDNVGXTHLQ-LRDDRELGSA-N 1 2 392.833 3.670 20 10 GHCDLO Cc1cc(F)cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC3CCCC3)C2)c1O ZINC001238059420 1042478339 /nfs/dbraw/zinc/47/83/39/1042478339.db2.gz CSHKYKXXHGRVBJ-GOSISDBHSA-N 1 2 387.499 3.879 20 10 GHCDLO Cc1cc(F)cc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC3CCCC3)C2)c1O ZINC001238059420 1042478342 /nfs/dbraw/zinc/47/83/42/1042478342.db2.gz CSHKYKXXHGRVBJ-GOSISDBHSA-N 1 2 387.499 3.879 20 10 GHCDLO CC[C@@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001302263875 1046890596 /nfs/dbraw/zinc/89/05/96/1046890596.db2.gz YPMUDXGXYIBYIG-PKTZIBPZSA-N 1 2 397.563 3.908 20 10 GHCDLO CC[C@@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)[N@H+]1CCO[C@H](CC)C1 ZINC001302263875 1046890615 /nfs/dbraw/zinc/89/06/15/1046890615.db2.gz YPMUDXGXYIBYIG-PKTZIBPZSA-N 1 2 397.563 3.908 20 10 GHCDLO O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1O ZINC001279442686 1047809012 /nfs/dbraw/zinc/80/90/12/1047809012.db2.gz SLIBKTNMQFUTRZ-IYBDPMFKSA-N 1 2 376.909 3.525 20 10 GHCDLO O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1O ZINC001279442686 1047809022 /nfs/dbraw/zinc/80/90/22/1047809022.db2.gz SLIBKTNMQFUTRZ-IYBDPMFKSA-N 1 2 376.909 3.525 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001308513339 1049994895 /nfs/dbraw/zinc/99/48/95/1049994895.db2.gz NZOSNEWWOCUARB-ZYHUDNBSSA-N 1 2 386.183 3.883 20 10 GHCDLO C[NH+](C)CCN(CCc1ccccc1)Cc1ccc(Br)cc1O ZINC001308748482 1050080196 /nfs/dbraw/zinc/08/01/96/1050080196.db2.gz OCKYXHGLBVMBQI-UHFFFAOYSA-N 1 2 377.326 3.761 20 10 GHCDLO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c2ccco2)cc1 ZINC001308821624 1050107833 /nfs/dbraw/zinc/10/78/33/1050107833.db2.gz SZBIAFDJEFVMHN-GOSISDBHSA-N 1 2 384.388 3.790 20 10 GHCDLO O=C(Nc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1)C1CC1 ZINC001332673457 1051557030 /nfs/dbraw/zinc/55/70/30/1051557030.db2.gz IIZPCONYEHENMP-UHFFFAOYSA-N 1 2 393.256 3.932 20 10 GHCDLO C[C@@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1cc(F)cc(F)c1O ZINC001320253245 1055724107 /nfs/dbraw/zinc/72/41/07/1055724107.db2.gz RNLJZJKDIBVBOL-SNVBAGLBSA-N 1 2 388.336 3.770 20 10 GHCDLO Cc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001451469829 1060782073 /nfs/dbraw/zinc/78/20/73/1060782073.db2.gz QOJUKHKHJKFSPD-UHFFFAOYSA-N 1 2 383.536 3.552 20 10 GHCDLO COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C2 ZINC001473979030 1074224019 /nfs/dbraw/zinc/22/40/19/1074224019.db2.gz JXTIWPBVWXHEMQ-ZDUSSCGKSA-N 1 2 398.684 3.910 20 10 GHCDLO CN(CC[NH2+]Cc1cc(Br)cc(F)c1O)Cc1ccc(F)cc1 ZINC001474038608 1074244706 /nfs/dbraw/zinc/24/47/06/1074244706.db2.gz ANFPUKZWKNXCFL-UHFFFAOYSA-N 1 2 385.252 3.655 20 10 GHCDLO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)c(O)c1 ZINC001474653948 1074500941 /nfs/dbraw/zinc/50/09/41/1074500941.db2.gz LJIHFAMAKZVGLC-UHFFFAOYSA-N 1 2 378.394 3.564 20 10 GHCDLO Cc1ccc(C[N@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)c(O)c1 ZINC001474653948 1074500943 /nfs/dbraw/zinc/50/09/43/1074500943.db2.gz LJIHFAMAKZVGLC-UHFFFAOYSA-N 1 2 378.394 3.564 20 10 GHCDLO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(Cl)c1O ZINC001660398730 1126265035 /nfs/dbraw/zinc/26/50/35/1126265035.db2.gz XZWNGTKCIZNWKA-KRWDZBQOSA-N 1 2 384.701 3.891 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000782636760 836676783 /nfs/dbraw/zinc/67/67/83/836676783.db2.gz YKUXIUCEOJSNDM-UZLBHIALSA-N 1 2 392.421 3.610 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000782636760 836676787 /nfs/dbraw/zinc/67/67/87/836676787.db2.gz YKUXIUCEOJSNDM-UZLBHIALSA-N 1 2 392.421 3.610 20 10 GHCDLO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000363859232 839289786 /nfs/dbraw/zinc/28/97/86/839289786.db2.gz FHHCRTNOHJMEEA-TVQRCGJNSA-N 1 2 380.261 3.600 20 10 GHCDLO CSc1cccc(-n2c(C)cc(C(=O)C[NH+]3CCC(NC(C)=O)CC3)c2C)c1 ZINC000050991748 841409952 /nfs/dbraw/zinc/40/99/52/841409952.db2.gz YRRQNXZUODIZCN-UHFFFAOYSA-N 1 2 399.560 3.599 20 10 GHCDLO CN(C)c1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000279495007 843082051 /nfs/dbraw/zinc/08/20/51/843082051.db2.gz NMRHAYZYVHLFNR-UHFFFAOYSA-N 1 2 399.514 3.514 20 10 GHCDLO C[S@](=O)C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccccc1 ZINC000894424443 851286898 /nfs/dbraw/zinc/28/68/98/851286898.db2.gz GFCVGTNEVTZXLX-NYHFZMIOSA-N 1 2 386.286 3.503 20 10 GHCDLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)[C@]12CCCO2 ZINC000760882763 856215045 /nfs/dbraw/zinc/21/50/45/856215045.db2.gz ZTYLRSZAPHTGEE-ZQWVLENNSA-N 1 2 388.277 3.671 20 10 GHCDLO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1c1ncc(Br)cn1 ZINC000905734458 856523252 /nfs/dbraw/zinc/52/32/52/856523252.db2.gz FEFBUMNMNKOEOC-MRXNPFEDSA-N 1 2 385.265 3.830 20 10 GHCDLO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1c1ncc(Br)cn1 ZINC000905734458 856523268 /nfs/dbraw/zinc/52/32/68/856523268.db2.gz FEFBUMNMNKOEOC-MRXNPFEDSA-N 1 2 385.265 3.830 20 10 GHCDLO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000730228730 860954901 /nfs/dbraw/zinc/95/49/01/860954901.db2.gz WUDUFFIPLLZSQR-GOSISDBHSA-N 1 2 396.579 3.583 20 10 GHCDLO C[N@H+](Cc1ccccc1O)Cc1c(F)ccc(I)c1F ZINC000792787827 881665972 /nfs/dbraw/zinc/66/59/72/881665972.db2.gz IFAOPOZOKKWATL-UHFFFAOYSA-N 1 2 389.183 3.907 20 10 GHCDLO C[N@@H+](Cc1ccccc1O)Cc1c(F)ccc(I)c1F ZINC000792787827 881665981 /nfs/dbraw/zinc/66/59/81/881665981.db2.gz IFAOPOZOKKWATL-UHFFFAOYSA-N 1 2 389.183 3.907 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1nc(CCc2ccccc2)no1)C[C@H]1CCCO1 ZINC000173354835 864642761 /nfs/dbraw/zinc/64/27/61/864642761.db2.gz VFSAWMFNZXGZQX-HXUWFJFHSA-N 1 2 393.487 3.742 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1nc(CCc2ccccc2)no1)C[C@H]1CCCO1 ZINC000173354835 864642773 /nfs/dbraw/zinc/64/27/73/864642773.db2.gz VFSAWMFNZXGZQX-HXUWFJFHSA-N 1 2 393.487 3.742 20 10 GHCDLO C[C@@H]([NH2+]C1(c2ncc(Br)cn2)CCC1)c1cc(F)cc(F)c1O ZINC000927148427 864676230 /nfs/dbraw/zinc/67/62/30/864676230.db2.gz UJQAAKGYWLHCBF-SECBINFHSA-N 1 2 384.224 3.953 20 10 GHCDLO COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000729577026 865265379 /nfs/dbraw/zinc/26/53/79/865265379.db2.gz ZZACDICLCVCULB-HZPDHXFCSA-N 1 2 399.491 3.677 20 10 GHCDLO COc1ccc2c(c1)CCCC[N@H+]2CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000766270765 866403927 /nfs/dbraw/zinc/40/39/27/866403927.db2.gz SRYQIGRFDNYMNG-UHFFFAOYSA-N 1 2 389.517 3.711 20 10 GHCDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000766270765 866403931 /nfs/dbraw/zinc/40/39/31/866403931.db2.gz SRYQIGRFDNYMNG-UHFFFAOYSA-N 1 2 389.517 3.711 20 10 GHCDLO Cc1cc(CC(=O)NCCNc2cccc[nH+]2)c(C)n1-c1ccc(Cl)cc1 ZINC000920438828 882125786 /nfs/dbraw/zinc/12/57/86/882125786.db2.gz QLWYUYCHCSZFBB-UHFFFAOYSA-N 1 2 382.895 3.913 20 10 GHCDLO CN(C)c1ccc(-c2nc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cs2)cc1 ZINC001193174582 870907574 /nfs/dbraw/zinc/90/75/74/870907574.db2.gz SSRBZRYEUQWYLY-UHFFFAOYSA-N 1 2 381.505 3.619 20 10 GHCDLO CN(C)c1ccc(-c2nc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cs2)cc1 ZINC001193174582 870907581 /nfs/dbraw/zinc/90/75/81/870907581.db2.gz SSRBZRYEUQWYLY-UHFFFAOYSA-N 1 2 381.505 3.619 20 10 GHCDLO COc1ccc(O)c(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000775644404 872224668 /nfs/dbraw/zinc/22/46/68/872224668.db2.gz FJJUPOZSMVHYPK-UHFFFAOYSA-N 1 2 380.410 3.737 20 10 GHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000775898989 874662033 /nfs/dbraw/zinc/66/20/33/874662033.db2.gz GCWXHGGUKYTYQY-SFHVURJKSA-N 1 2 381.303 3.862 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC001201595316 875774795 /nfs/dbraw/zinc/77/47/95/875774795.db2.gz PMDLEHWBSAZAET-KRWDZBQOSA-N 1 2 380.257 3.897 20 10 GHCDLO CN1C(=O)C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@H]1c1ccc(Cl)cc1 ZINC000776251999 876031237 /nfs/dbraw/zinc/03/12/37/876031237.db2.gz IBJZFZJOVPYMJN-NVXWUHKLSA-N 1 2 383.250 3.900 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000858320720 883022244 /nfs/dbraw/zinc/02/22/44/883022244.db2.gz GZJRFYGAVKLALM-IEBWSBKVSA-N 1 2 391.874 3.738 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000858320720 883022260 /nfs/dbraw/zinc/02/22/60/883022260.db2.gz GZJRFYGAVKLALM-IEBWSBKVSA-N 1 2 391.874 3.738 20 10 GHCDLO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)c(F)cc1O ZINC000850562567 877028241 /nfs/dbraw/zinc/02/82/41/877028241.db2.gz NYAIXPOXSHJWNV-APPDUMDISA-N 1 2 390.293 3.512 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+]3C[C@@H](CC(F)(F)F)O[C@@H](C)C3)cc2)CC1 ZINC000852744045 878572592 /nfs/dbraw/zinc/57/25/92/878572592.db2.gz PREHUUCMOQZFSS-HNAYVOBHSA-N 1 2 386.458 3.844 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](CC(F)(F)F)O[C@@H](C)C3)cc2)CC1 ZINC000852744045 878572606 /nfs/dbraw/zinc/57/26/06/878572606.db2.gz PREHUUCMOQZFSS-HNAYVOBHSA-N 1 2 386.458 3.844 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)O[C@H](CC(F)(F)F)C3)cc2)CC1 ZINC000852744044 878573296 /nfs/dbraw/zinc/57/32/96/878573296.db2.gz PREHUUCMOQZFSS-DNVCBOLYSA-N 1 2 386.458 3.844 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)O[C@H](CC(F)(F)F)C3)cc2)CC1 ZINC000852744044 878573305 /nfs/dbraw/zinc/57/33/05/878573305.db2.gz PREHUUCMOQZFSS-DNVCBOLYSA-N 1 2 386.458 3.844 20 10 GHCDLO C[C@@]1(O)CCCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203562203 912381904 /nfs/dbraw/zinc/38/19/04/912381904.db2.gz DYAWGGPZSIJNRD-CQSZACIVSA-N 1 2 393.119 3.654 20 10 GHCDLO C[C@@]1(O)CCCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203562203 912381926 /nfs/dbraw/zinc/38/19/26/912381926.db2.gz DYAWGGPZSIJNRD-CQSZACIVSA-N 1 2 393.119 3.654 20 10 GHCDLO Cc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)n1-c1ccc(F)cc1 ZINC000790152603 879507749 /nfs/dbraw/zinc/50/77/49/879507749.db2.gz CHUDRFDPURPGPW-HXUWFJFHSA-N 1 2 379.435 3.922 20 10 GHCDLO Cc1ccc(NCCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)[nH+]c1 ZINC000805131806 883612028 /nfs/dbraw/zinc/61/20/28/883612028.db2.gz NCRHCVQBQPZCLB-UHFFFAOYSA-N 1 2 383.279 3.704 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c1O ZINC000859580592 883912211 /nfs/dbraw/zinc/91/22/11/883912211.db2.gz SVVFWJBBJZCJAR-JOCHJYFZSA-N 1 2 383.419 3.734 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c1O ZINC000859580592 883912218 /nfs/dbraw/zinc/91/22/18/883912218.db2.gz SVVFWJBBJZCJAR-JOCHJYFZSA-N 1 2 383.419 3.734 20 10 GHCDLO C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)[N@@H+]1CCc2ccccc2C1 ZINC000807837366 885802729 /nfs/dbraw/zinc/80/27/29/885802729.db2.gz MXRCGTVSRNAKKE-LBPRGKRZSA-N 1 2 379.287 3.762 20 10 GHCDLO C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)[N@H+]1CCc2ccccc2C1 ZINC000807837366 885802748 /nfs/dbraw/zinc/80/27/48/885802748.db2.gz MXRCGTVSRNAKKE-LBPRGKRZSA-N 1 2 379.287 3.762 20 10 GHCDLO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571988 888288997 /nfs/dbraw/zinc/28/89/97/888288997.db2.gz ZMDVHKMPWZICGO-UHFFFAOYSA-N 1 2 398.894 3.859 20 10 GHCDLO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571988 888289002 /nfs/dbraw/zinc/28/90/02/888289002.db2.gz ZMDVHKMPWZICGO-UHFFFAOYSA-N 1 2 398.894 3.859 20 10 GHCDLO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(F)c(F)c3O)CC2)cs1 ZINC000876806174 893337467 /nfs/dbraw/zinc/33/74/67/893337467.db2.gz LZRAUSJGEDWOBS-CYBMUJFWSA-N 1 2 397.491 3.542 20 10 GHCDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(F)c(F)c3O)CC2)cs1 ZINC000876806174 893337480 /nfs/dbraw/zinc/33/74/80/893337480.db2.gz LZRAUSJGEDWOBS-CYBMUJFWSA-N 1 2 397.491 3.542 20 10 GHCDLO COc1cc(N2CCN(c3[nH+]ccc4cc(F)ccc43)CC2)cc(OC)c1OC ZINC000825942562 893511503 /nfs/dbraw/zinc/51/15/03/893511503.db2.gz CWHOFQQRQCJRDO-UHFFFAOYSA-N 1 2 397.450 3.726 20 10 GHCDLO CC[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1cc(Br)ccc1O ZINC000815658054 894072672 /nfs/dbraw/zinc/07/26/72/894072672.db2.gz QYLUDPDKNFLPSO-INIZCTEOSA-N 1 2 387.281 3.976 20 10 GHCDLO CC[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C(C)(C)O ZINC000816653198 894996267 /nfs/dbraw/zinc/99/62/67/894996267.db2.gz JTJGSTRGQRWOPJ-NSHDSACASA-N 1 2 381.108 3.556 20 10 GHCDLO COc1c(O)c(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774906625 913995062 /nfs/dbraw/zinc/99/50/62/913995062.db2.gz CJCBKTGVIPVNJZ-KXBFYZLASA-N 1 2 386.448 3.888 20 10 GHCDLO COc1c(O)c(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774906625 913995073 /nfs/dbraw/zinc/99/50/73/913995073.db2.gz CJCBKTGVIPVNJZ-KXBFYZLASA-N 1 2 386.448 3.888 20 10 GHCDLO O=C(C[N@@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000823468239 899045037 /nfs/dbraw/zinc/04/50/37/899045037.db2.gz DAQPBVKJJBYBNG-HXUWFJFHSA-N 1 2 389.463 3.969 20 10 GHCDLO O=C(C[N@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000823468239 899045051 /nfs/dbraw/zinc/04/50/51/899045051.db2.gz DAQPBVKJJBYBNG-HXUWFJFHSA-N 1 2 389.463 3.969 20 10 GHCDLO CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000825098353 899951760 /nfs/dbraw/zinc/95/17/60/899951760.db2.gz HKJKJGMZWUKBHC-CLAHSXSESA-N 1 2 393.119 3.820 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2csc(C(C)(C)O)n2)c1 ZINC000825153985 900006282 /nfs/dbraw/zinc/00/62/82/900006282.db2.gz WHMIDSLUWZJZLD-UHFFFAOYSA-N 1 2 385.327 3.779 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)c1 ZINC000825153985 900006287 /nfs/dbraw/zinc/00/62/87/900006287.db2.gz WHMIDSLUWZJZLD-UHFFFAOYSA-N 1 2 385.327 3.779 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1noc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000124247672 902043454 /nfs/dbraw/zinc/04/34/54/902043454.db2.gz XYGHGFVOYMTDET-SJORKVTESA-N 1 2 378.476 3.985 20 10 GHCDLO C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000773153689 904492537 /nfs/dbraw/zinc/49/25/37/904492537.db2.gz OZXLUOOJFVKQDM-KRWDZBQOSA-N 1 2 377.492 3.558 20 10 GHCDLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(N(C)C)cc1 ZINC000773198359 904555575 /nfs/dbraw/zinc/55/55/75/904555575.db2.gz FIIKMCJQUODTSB-QGZVFWFLSA-N 1 2 381.524 3.698 20 10 GHCDLO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000077172236 905657077 /nfs/dbraw/zinc/65/70/77/905657077.db2.gz NTRHJAOWNKXAMW-INIZCTEOSA-N 1 2 375.538 3.709 20 10 GHCDLO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000077172236 905657083 /nfs/dbraw/zinc/65/70/83/905657083.db2.gz NTRHJAOWNKXAMW-INIZCTEOSA-N 1 2 375.538 3.709 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001175196144 907408671 /nfs/dbraw/zinc/40/86/71/907408671.db2.gz WLKSVVDPPSCCKI-IAQYHMDHSA-N 1 2 382.888 3.736 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001175196144 907408677 /nfs/dbraw/zinc/40/86/77/907408677.db2.gz WLKSVVDPPSCCKI-IAQYHMDHSA-N 1 2 382.888 3.736 20 10 GHCDLO COc1cc(OC)cc([C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)c2nccn2C)c1 ZINC000184960252 907685900 /nfs/dbraw/zinc/68/59/00/907685900.db2.gz JJWDXNLZGPIECM-RBZFPXEDSA-N 1 2 385.439 3.722 20 10 GHCDLO Nc1cc(C(F)(F)F)c(Nc2cccc3c2C(=O)c2cccc(N)c2C3=O)c[nH+]1 ZINC001175713722 907698746 /nfs/dbraw/zinc/69/87/46/907698746.db2.gz CESQJKANSXAHTP-UHFFFAOYSA-N 1 2 398.344 3.784 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000194436919 908883572 /nfs/dbraw/zinc/88/35/72/908883572.db2.gz YLRSVVFXQYOUEF-UHFFFAOYSA-N 1 2 391.519 3.777 20 10 GHCDLO CN(CC(F)F)C1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001179854923 909770858 /nfs/dbraw/zinc/77/08/58/909770858.db2.gz KQWHMBHWVBKCGD-UHFFFAOYSA-N 1 2 397.691 3.969 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000780789597 930598867 /nfs/dbraw/zinc/59/88/67/930598867.db2.gz IDIIUMPLWOJZOO-OAHLLOKOSA-N 1 2 390.821 3.687 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000797604400 932342166 /nfs/dbraw/zinc/34/21/66/932342166.db2.gz FJTHDNFUJQPWIM-DEYYWGMASA-N 1 2 384.314 3.622 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000797604400 932342168 /nfs/dbraw/zinc/34/21/68/932342168.db2.gz FJTHDNFUJQPWIM-DEYYWGMASA-N 1 2 384.314 3.622 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C[C@@H]1C(F)(F)F ZINC001137840350 935817702 /nfs/dbraw/zinc/81/77/02/935817702.db2.gz YMZBWTHHMDNOGZ-GXTWGEPZSA-N 1 2 392.393 3.809 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C[C@@H]1C(F)(F)F ZINC001137840350 935817706 /nfs/dbraw/zinc/81/77/06/935817706.db2.gz YMZBWTHHMDNOGZ-GXTWGEPZSA-N 1 2 392.393 3.809 20 10 GHCDLO Oc1cccc(F)c1C[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001137840308 935817752 /nfs/dbraw/zinc/81/77/52/935817752.db2.gz WXCJAUMJEJLTEH-UHFFFAOYSA-N 1 2 384.373 3.748 20 10 GHCDLO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000839193336 1025715223 /nfs/dbraw/zinc/71/52/23/1025715223.db2.gz XDGUPTGAZQGNPU-NEPJUHHUSA-N 1 2 379.092 3.574 20 10 GHCDLO O=C1C[C@@]2(CN1CCC(F)(F)F)CCCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277231589 1032516201 /nfs/dbraw/zinc/51/62/01/1032516201.db2.gz DBPZGZRCXTYVKS-QGZVFWFLSA-N 1 2 390.833 3.955 20 10 GHCDLO O=C1C[C@@]2(CN1CCC(F)(F)F)CCCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277231589 1032516202 /nfs/dbraw/zinc/51/62/02/1032516202.db2.gz DBPZGZRCXTYVKS-QGZVFWFLSA-N 1 2 390.833 3.955 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCc2ncnc(-c3cccc(F)c3)c2CC1 ZINC001140581471 1022002198 /nfs/dbraw/zinc/00/21/98/1022002198.db2.gz STNCSDGKXGYNQE-UHFFFAOYSA-N 1 2 385.389 3.867 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@H+]1CCc2ncnc(-c3cccc(F)c3)c2CC1 ZINC001140581471 1022002210 /nfs/dbraw/zinc/00/22/10/1022002210.db2.gz STNCSDGKXGYNQE-UHFFFAOYSA-N 1 2 385.389 3.867 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3c(Cl)cccc3OC)CC2)c(OC)c1 ZINC001140730319 1022381797 /nfs/dbraw/zinc/38/17/97/1022381797.db2.gz GPGQVBAJFCOPNX-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO Cc1cc(C[N@@H+]2CCc3c(Cl)c(O)c(O)cc3[C@H](c3ccc(O)cc3)C2)n[nH]1 ZINC001203081553 1022964848 /nfs/dbraw/zinc/96/48/48/1022964848.db2.gz WQDPNPNGSSZSLS-SFHVURJKSA-N 1 2 399.878 3.679 20 10 GHCDLO Cc1cc(C[N@H+]2CCc3c(Cl)c(O)c(O)cc3[C@H](c3ccc(O)cc3)C2)n[nH]1 ZINC001203081553 1022964855 /nfs/dbraw/zinc/96/48/55/1022964855.db2.gz WQDPNPNGSSZSLS-SFHVURJKSA-N 1 2 399.878 3.679 20 10 GHCDLO CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccccc1OCC(=O)N(C)C ZINC000756434750 1023648033 /nfs/dbraw/zinc/64/80/33/1023648033.db2.gz YQXBFFBHKHFJMV-FZKQIMNGSA-N 1 2 392.446 3.939 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(F)cc(F)c1O ZINC000756474817 1023674270 /nfs/dbraw/zinc/67/42/70/1023674270.db2.gz JAAHMXIHZAAKND-YJYMSZOUSA-N 1 2 380.410 3.534 20 10 GHCDLO C[C@H]([NH2+]CCn1cnc2ccccc21)c1cc(Br)c(F)cc1O ZINC000756483178 1023679401 /nfs/dbraw/zinc/67/94/01/1023679401.db2.gz PBEGPZLRFHXXGQ-NSHDSACASA-N 1 2 378.245 3.994 20 10 GHCDLO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000756495811 1023685096 /nfs/dbraw/zinc/68/50/96/1023685096.db2.gz BHBCBVMXGOTNIY-ONGXEEELSA-N 1 2 395.135 3.975 20 10 GHCDLO C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000756530512 1023701141 /nfs/dbraw/zinc/70/11/41/1023701141.db2.gz YXYUFNQARTYCLG-JTQLQIEISA-N 1 2 391.281 3.811 20 10 GHCDLO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cc(Br)c(F)cc2O)c1 ZINC000756604648 1023734707 /nfs/dbraw/zinc/73/47/07/1023734707.db2.gz NYGUNZMUDMHJKN-LLVKDONJSA-N 1 2 395.272 3.547 20 10 GHCDLO C[C@H]([NH2+]Cc1ccon1)c1cc(Br)cc(Br)c1O ZINC000756638045 1023748905 /nfs/dbraw/zinc/74/89/05/1023748905.db2.gz RBLIYHJFYXWMHF-ZETCQYMHSA-N 1 2 376.048 3.756 20 10 GHCDLO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Br)cc(Cl)c1O ZINC000756707721 1023783304 /nfs/dbraw/zinc/78/33/04/1023783304.db2.gz NOOYJQCLNGGPCM-SECBINFHSA-N 1 2 398.750 3.672 20 10 GHCDLO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756774980 1023810648 /nfs/dbraw/zinc/81/06/48/1023810648.db2.gz FSSZWMDGSSELRH-HTRCEHHLSA-N 1 2 376.600 3.772 20 10 GHCDLO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141377061 1024774750 /nfs/dbraw/zinc/77/47/50/1024774750.db2.gz HZEIVYFDTZWFLT-SNVBAGLBSA-N 1 2 376.678 3.583 20 10 GHCDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141377061 1024774759 /nfs/dbraw/zinc/77/47/59/1024774759.db2.gz HZEIVYFDTZWFLT-SNVBAGLBSA-N 1 2 376.678 3.583 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)Cc2c1cnn2CC ZINC001203640328 1027499489 /nfs/dbraw/zinc/49/94/89/1027499489.db2.gz XAVPQAJXJRBNHC-AWEZNQCLSA-N 1 2 394.313 3.507 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)Cc2c1cnn2CC ZINC001203640328 1027499496 /nfs/dbraw/zinc/49/94/96/1027499496.db2.gz XAVPQAJXJRBNHC-AWEZNQCLSA-N 1 2 394.313 3.507 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC3CCCC3)nc21 ZINC001203877907 1027675237 /nfs/dbraw/zinc/67/52/37/1027675237.db2.gz ZHGXHWFSRFZETK-LJQANCHMSA-N 1 2 385.508 3.620 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC3CCCC3)nc21 ZINC001203877907 1027675244 /nfs/dbraw/zinc/67/52/44/1027675244.db2.gz ZHGXHWFSRFZETK-LJQANCHMSA-N 1 2 385.508 3.620 20 10 GHCDLO CCc1cc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)ccc1F ZINC001217056897 1030130238 /nfs/dbraw/zinc/13/02/38/1030130238.db2.gz VXSWRVLQKVFYFM-UHFFFAOYSA-N 1 2 383.423 3.643 20 10 GHCDLO C[C@@H]1[NH2+]C[C@@H]1Oc1cc2c(-c3ccccc3)c3cc(O)c(O)cc3oc-2cc1=O ZINC001218386481 1030915385 /nfs/dbraw/zinc/91/53/85/1030915385.db2.gz NFHDFRCOAFMEBV-YTEVENLXSA-N 1 2 389.407 3.715 20 10 GHCDLO Cc1cc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(C)n1-c1ccccc1 ZINC001230554100 1034118996 /nfs/dbraw/zinc/11/89/96/1034118996.db2.gz NLJLZTNRDAZAFN-FQEVSTJZSA-N 1 2 389.503 3.567 20 10 GHCDLO CC(C)(C)OC(=O)NC1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231465989 1034610273 /nfs/dbraw/zinc/61/02/73/1034610273.db2.gz KETGLVBWNDCTES-UHFFFAOYSA-N 1 2 384.476 3.680 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001231469415 1034614552 /nfs/dbraw/zinc/61/45/52/1034614552.db2.gz CKNRAEBUTAWWON-LNLFQRSKSA-N 1 2 379.378 3.875 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001231469415 1034614557 /nfs/dbraw/zinc/61/45/57/1034614557.db2.gz CKNRAEBUTAWWON-LNLFQRSKSA-N 1 2 379.378 3.875 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2CCc3onc(C(=O)Nc4cccnc4)c3C2)cc1Cl ZINC001231869598 1034956178 /nfs/dbraw/zinc/95/61/78/1034956178.db2.gz RVDPYHWYIMFWRK-UHFFFAOYSA-N 1 2 398.850 3.548 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2CCc3onc(C(=O)Nc4cccnc4)c3C2)cc1Cl ZINC001231869598 1034956180 /nfs/dbraw/zinc/95/61/80/1034956180.db2.gz RVDPYHWYIMFWRK-UHFFFAOYSA-N 1 2 398.850 3.548 20 10 GHCDLO Oc1cncc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC001232043580 1035058874 /nfs/dbraw/zinc/05/88/74/1035058874.db2.gz HVOFLNGZHKMAMA-UHFFFAOYSA-N 1 2 375.472 3.688 20 10 GHCDLO Cc1cccc(CNc2cc(N3CCN(c4ccccc4F)CC3)nc[nH+]2)c1O ZINC001160770165 1035063498 /nfs/dbraw/zinc/06/34/98/1035063498.db2.gz SHFLEOCGNQMRFK-UHFFFAOYSA-N 1 2 393.466 3.568 20 10 GHCDLO Cc1cccc(CNc2cc(N3CCN(c4ccccc4F)CC3)[nH+]cn2)c1O ZINC001160770165 1035063507 /nfs/dbraw/zinc/06/35/07/1035063507.db2.gz SHFLEOCGNQMRFK-UHFFFAOYSA-N 1 2 393.466 3.568 20 10 GHCDLO COc1ccc(C[N@H+](C)C2CCCCC2)c(O)c1I ZINC001248476441 1035903869 /nfs/dbraw/zinc/90/38/69/1035903869.db2.gz GHSCZTPDAQKEFQ-UHFFFAOYSA-N 1 2 375.250 3.770 20 10 GHCDLO COc1ccc(C[N@@H+](C)C2CCCCC2)c(O)c1I ZINC001248476441 1035903875 /nfs/dbraw/zinc/90/38/75/1035903875.db2.gz GHSCZTPDAQKEFQ-UHFFFAOYSA-N 1 2 375.250 3.770 20 10 GHCDLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)c1 ZINC001232263225 1037985015 /nfs/dbraw/zinc/98/50/15/1037985015.db2.gz KUAINCRGAYJFLV-CQSZACIVSA-N 1 2 395.908 3.534 20 10 GHCDLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(O)cc3O)C2)c1 ZINC001232263225 1037985019 /nfs/dbraw/zinc/98/50/19/1037985019.db2.gz KUAINCRGAYJFLV-CQSZACIVSA-N 1 2 395.908 3.534 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCCn3cnc(COC(C)C)c3C2)cc1Cl ZINC001232265198 1037986697 /nfs/dbraw/zinc/98/66/97/1037986697.db2.gz RBQCSAJEQHKQDU-UHFFFAOYSA-N 1 2 379.888 3.582 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCCn3cnc(COC(C)C)c3C2)cc1Cl ZINC001232265198 1037986703 /nfs/dbraw/zinc/98/67/03/1037986703.db2.gz RBQCSAJEQHKQDU-UHFFFAOYSA-N 1 2 379.888 3.582 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1Cl ZINC001232265687 1037986861 /nfs/dbraw/zinc/98/68/61/1037986861.db2.gz AFUWIVQUZHLQOH-FBBABVLZSA-N 1 2 395.927 3.993 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1Cl ZINC001232265687 1037986871 /nfs/dbraw/zinc/98/68/71/1037986871.db2.gz AFUWIVQUZHLQOH-FBBABVLZSA-N 1 2 395.927 3.993 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232269711 1037993892 /nfs/dbraw/zinc/99/38/92/1037993892.db2.gz IMNUXSNVEOQKMP-UHFFFAOYSA-N 1 2 381.881 3.851 20 10 GHCDLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232269711 1037993899 /nfs/dbraw/zinc/99/38/99/1037993899.db2.gz IMNUXSNVEOQKMP-UHFFFAOYSA-N 1 2 381.881 3.851 20 10 GHCDLO COc1cc(O)c(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1Cl ZINC001232269581 1037994062 /nfs/dbraw/zinc/99/40/62/1037994062.db2.gz FOBBBVDGKFMXGJ-BETUJISGSA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1Cl ZINC001232269581 1037994068 /nfs/dbraw/zinc/99/40/68/1037994068.db2.gz FOBBBVDGKFMXGJ-BETUJISGSA-N 1 2 384.904 3.884 20 10 GHCDLO C[N@@H+]1CCN(Cc2c(O)cc(Br)cc2F)[C@@H](c2ccccc2)C1 ZINC001233027239 1038778460 /nfs/dbraw/zinc/77/84/60/1038778460.db2.gz OJADMHGSUZIQDX-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2c(O)cc(Br)cc2F)[C@@H](c2ccccc2)C1 ZINC001233027239 1038778474 /nfs/dbraw/zinc/77/84/74/1038778474.db2.gz OJADMHGSUZIQDX-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@H+](Cc3cc(C(C)(C)C)ccc3O)[C@@H]2C1 ZINC001233283909 1039057963 /nfs/dbraw/zinc/05/79/63/1039057963.db2.gz AOHNZNAKJFASEK-IEBWSBKVSA-N 1 2 390.524 3.510 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@@H+](Cc3cc(C(C)(C)C)ccc3O)[C@@H]2C1 ZINC001233283909 1039057973 /nfs/dbraw/zinc/05/79/73/1039057973.db2.gz AOHNZNAKJFASEK-IEBWSBKVSA-N 1 2 390.524 3.510 20 10 GHCDLO CCOC(=O)c1nc2c(s1)C[N@H+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233455053 1039345958 /nfs/dbraw/zinc/34/59/58/1039345958.db2.gz UHGZPKAGLCVPRL-UHFFFAOYSA-N 1 2 386.395 3.603 20 10 GHCDLO CCOC(=O)c1nc2c(s1)C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233455053 1039345979 /nfs/dbraw/zinc/34/59/79/1039345979.db2.gz UHGZPKAGLCVPRL-UHFFFAOYSA-N 1 2 386.395 3.603 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235301393 1040774824 /nfs/dbraw/zinc/77/48/24/1040774824.db2.gz GYTBBIGIIAGWTL-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235301393 1040774837 /nfs/dbraw/zinc/77/48/37/1040774837.db2.gz GYTBBIGIIAGWTL-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)cc(Br)c1O ZINC001235305546 1040779128 /nfs/dbraw/zinc/77/91/28/1040779128.db2.gz NHFUZXGSBKWAIO-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)cc(Br)c1O ZINC001235305546 1040779150 /nfs/dbraw/zinc/77/91/50/1040779150.db2.gz NHFUZXGSBKWAIO-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3c(C)cncc3Br)CC2)cc1 ZINC001235648510 1041090481 /nfs/dbraw/zinc/09/04/81/1041090481.db2.gz BNKBMTLQPRIKNF-UHFFFAOYSA-N 1 2 390.325 3.873 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC001236666355 1041813294 /nfs/dbraw/zinc/81/32/94/1041813294.db2.gz OQYFCHHZPUIXKR-SFHVURJKSA-N 1 2 375.310 3.952 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC001236666355 1041813301 /nfs/dbraw/zinc/81/33/01/1041813301.db2.gz OQYFCHHZPUIXKR-SFHVURJKSA-N 1 2 375.310 3.952 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC001236666355 1041813312 /nfs/dbraw/zinc/81/33/12/1041813312.db2.gz OQYFCHHZPUIXKR-SFHVURJKSA-N 1 2 375.310 3.952 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC001236666355 1041813321 /nfs/dbraw/zinc/81/33/21/1041813321.db2.gz OQYFCHHZPUIXKR-SFHVURJKSA-N 1 2 375.310 3.952 20 10 GHCDLO Cc1ccc(N2CC[NH+](Cc3cc(O)c(Br)cc3O)CC2)c(C)c1 ZINC001236770491 1041882067 /nfs/dbraw/zinc/88/20/67/1041882067.db2.gz ICMMVTGJIJOPCK-UHFFFAOYSA-N 1 2 391.309 3.799 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1Cl ZINC001236803260 1041905207 /nfs/dbraw/zinc/90/52/07/1041905207.db2.gz YHZTYSLQMMQWJJ-UKRRQHHQSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1Cl ZINC001236803260 1041905209 /nfs/dbraw/zinc/90/52/09/1041905209.db2.gz YHZTYSLQMMQWJJ-UKRRQHHQSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c(O)c1Cl ZINC001236807865 1041908828 /nfs/dbraw/zinc/90/88/28/1041908828.db2.gz UKQOGMSOMAFTAP-FUHWJXTLSA-N 1 2 388.895 3.678 20 10 GHCDLO COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c(O)c1Cl ZINC001236807865 1041908834 /nfs/dbraw/zinc/90/88/34/1041908834.db2.gz UKQOGMSOMAFTAP-FUHWJXTLSA-N 1 2 388.895 3.678 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c(O)c1Cl ZINC001236812167 1041912151 /nfs/dbraw/zinc/91/21/51/1041912151.db2.gz SLJUPPAHUDSFGI-HIFRSBDPSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c(O)c1Cl ZINC001236812167 1041912153 /nfs/dbraw/zinc/91/21/53/1041912153.db2.gz SLJUPPAHUDSFGI-HIFRSBDPSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1cc(O)c(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)c(Br)c1 ZINC001237058369 1042014219 /nfs/dbraw/zinc/01/42/19/1042014219.db2.gz DDPIRRYYBQEYLW-SFHVURJKSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(O)c(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(Br)c1 ZINC001237058369 1042014226 /nfs/dbraw/zinc/01/42/26/1042014226.db2.gz DDPIRRYYBQEYLW-SFHVURJKSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c(Br)c1 ZINC001237058369 1042014238 /nfs/dbraw/zinc/01/42/38/1042014238.db2.gz DDPIRRYYBQEYLW-SFHVURJKSA-N 1 2 391.309 3.652 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2c1cnn2CC ZINC001237115732 1042046611 /nfs/dbraw/zinc/04/66/11/1042046611.db2.gz ICSVSUKSDVCCIB-CYBMUJFWSA-N 1 2 399.413 3.643 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2c1cnn2CC ZINC001237115732 1042046617 /nfs/dbraw/zinc/04/66/17/1042046617.db2.gz ICSVSUKSDVCCIB-CYBMUJFWSA-N 1 2 399.413 3.643 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cccc(OC)c3Cl)CC2)cc1 ZINC001237198597 1042089389 /nfs/dbraw/zinc/08/93/89/1042089389.db2.gz VFRMWSCYUABOPZ-UHFFFAOYSA-N 1 2 390.911 3.696 20 10 GHCDLO Cc1nc(COCc2cnc3n2CC[N@@H+](Cc2c(C)cccc2O)[C@H]3C)cs1 ZINC001237486754 1042230490 /nfs/dbraw/zinc/23/04/90/1042230490.db2.gz UDQXAILYAGAQRM-HNNXBMFYSA-N 1 2 398.532 3.956 20 10 GHCDLO Cc1nc(COCc2cnc3n2CC[N@H+](Cc2c(C)cccc2O)[C@H]3C)cs1 ZINC001237486754 1042230495 /nfs/dbraw/zinc/23/04/95/1042230495.db2.gz UDQXAILYAGAQRM-HNNXBMFYSA-N 1 2 398.532 3.956 20 10 GHCDLO CCOc1ccc(C[NH+]2CCN(c3ccc(OCCOC)cc3)CC2)c(F)c1 ZINC001237633215 1042297100 /nfs/dbraw/zinc/29/71/00/1042297100.db2.gz REIGXWOEZPCOKK-UHFFFAOYSA-N 1 2 388.483 3.572 20 10 GHCDLO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(Br)cc(C(F)(F)F)c3O)C[C@H]12 ZINC001237786684 1042369091 /nfs/dbraw/zinc/36/90/91/1042369091.db2.gz PAULCXNDEPZRIV-SKDRFNHKSA-N 1 2 392.215 3.975 20 10 GHCDLO O=C1CCC[C@@H]2C[N@H+](Cc3cc(Br)cc(C(F)(F)F)c3O)C[C@H]12 ZINC001237786684 1042369093 /nfs/dbraw/zinc/36/90/93/1042369093.db2.gz PAULCXNDEPZRIV-SKDRFNHKSA-N 1 2 392.215 3.975 20 10 GHCDLO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)nc1Br ZINC001238187989 1042513791 /nfs/dbraw/zinc/51/37/91/1042513791.db2.gz VZNQUMKXMMTTHU-UHFFFAOYSA-N 1 2 378.314 3.941 20 10 GHCDLO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)nc1Br ZINC001238187989 1042513795 /nfs/dbraw/zinc/51/37/95/1042513795.db2.gz VZNQUMKXMMTTHU-UHFFFAOYSA-N 1 2 378.314 3.941 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001261794733 1046097662 /nfs/dbraw/zinc/09/76/62/1046097662.db2.gz ZHNAMAZVMKKVDL-KRWDZBQOSA-N 1 2 376.460 3.650 20 10 GHCDLO COc1cccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2O)c1 ZINC001308271241 1049932687 /nfs/dbraw/zinc/93/26/87/1049932687.db2.gz KTHBZFXJABKQDC-HNNXBMFYSA-N 1 2 386.673 3.640 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC001318314924 1054563498 /nfs/dbraw/zinc/56/34/98/1054563498.db2.gz VTKNNJSHKTWGTH-SJORKVTESA-N 1 2 389.927 3.587 20 10 GHCDLO C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cc(Br)c(F)cc1O ZINC001320420515 1055796537 /nfs/dbraw/zinc/79/65/37/1055796537.db2.gz PIZXLPPZXQDWAN-VXGBXAGGSA-N 1 2 387.293 3.593 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)CC2)cc1 ZINC001459797687 1064222195 /nfs/dbraw/zinc/22/21/95/1064222195.db2.gz OWEZCBCLMJIBQF-JOCHJYFZSA-N 1 2 397.494 3.542 20 10 GHCDLO CC[N@H+](CC(=O)NCc1ccc(N(C)C)c(F)c1)Cc1ccccc1Cl ZINC001464547532 1065074807 /nfs/dbraw/zinc/07/48/07/1065074807.db2.gz NZLFCUVZQLOPOX-UHFFFAOYSA-N 1 2 377.891 3.683 20 10 GHCDLO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)c(F)c1)Cc1ccccc1Cl ZINC001464547532 1065074823 /nfs/dbraw/zinc/07/48/23/1065074823.db2.gz NZLFCUVZQLOPOX-UHFFFAOYSA-N 1 2 377.891 3.683 20 10 GHCDLO CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCc2[nH+]ccn2C)cc1 ZINC001352854516 1065376864 /nfs/dbraw/zinc/37/68/64/1065376864.db2.gz KULAAVQYSFMWTA-UHFFFAOYSA-N 1 2 376.464 3.874 20 10 GHCDLO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001471180408 1072955880 /nfs/dbraw/zinc/95/58/80/1072955880.db2.gz NYCLGJWPVZHOGK-NRFANRHFSA-N 1 2 390.487 3.708 20 10 GHCDLO CCCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC001473423582 1073958752 /nfs/dbraw/zinc/95/87/52/1073958752.db2.gz AAVFOUSMVRPFOZ-FQEVSTJZSA-N 1 2 385.460 3.695 20 10 GHCDLO CCCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC001473423582 1073958756 /nfs/dbraw/zinc/95/87/56/1073958756.db2.gz AAVFOUSMVRPFOZ-FQEVSTJZSA-N 1 2 385.460 3.695 20 10 GHCDLO CCCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC001473423583 1073958995 /nfs/dbraw/zinc/95/89/95/1073958995.db2.gz AAVFOUSMVRPFOZ-HXUWFJFHSA-N 1 2 385.460 3.695 20 10 GHCDLO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC001473423583 1073958997 /nfs/dbraw/zinc/95/89/97/1073958997.db2.gz AAVFOUSMVRPFOZ-HXUWFJFHSA-N 1 2 385.460 3.695 20 10 GHCDLO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)[C@H](C(N)=O)C1 ZINC001474466030 1074418833 /nfs/dbraw/zinc/41/88/33/1074418833.db2.gz FSSJITIGTNJQFT-KSSFIOAISA-N 1 2 394.357 3.525 20 10 GHCDLO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)[C@H](C(N)=O)C1 ZINC001474466030 1074418837 /nfs/dbraw/zinc/41/88/37/1074418837.db2.gz FSSJITIGTNJQFT-KSSFIOAISA-N 1 2 394.357 3.525 20 10 GHCDLO O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1[O-] ZINC000728198632 835098759 /nfs/dbraw/zinc/09/87/59/835098759.db2.gz ONHRKCDXYITTSM-UHFFFAOYSA-N 1 2 394.515 3.779 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000066313605 837144136 /nfs/dbraw/zinc/14/41/36/837144136.db2.gz CBDRZGYVMOPIJM-IBGZPJMESA-N 1 2 381.520 3.770 20 10 GHCDLO CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000066701525 838327001 /nfs/dbraw/zinc/32/70/01/838327001.db2.gz SWXUBFSHMIKMQH-UHFFFAOYSA-N 1 2 382.439 3.839 20 10 GHCDLO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000363859234 839290106 /nfs/dbraw/zinc/29/01/06/839290106.db2.gz FHHCRTNOHJMEEA-ZANVPECISA-N 1 2 380.261 3.600 20 10 GHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000599523207 861283880 /nfs/dbraw/zinc/28/38/80/861283880.db2.gz OKFNTSZCGXHMNI-GOSISDBHSA-N 1 2 389.503 3.521 20 10 GHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000599523207 861283898 /nfs/dbraw/zinc/28/38/98/861283898.db2.gz OKFNTSZCGXHMNI-GOSISDBHSA-N 1 2 389.503 3.521 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001141369669 843190371 /nfs/dbraw/zinc/19/03/71/843190371.db2.gz WQXJCZLVWMPNFW-UHFFFAOYSA-N 1 2 385.733 3.726 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001141369669 843190377 /nfs/dbraw/zinc/19/03/77/843190377.db2.gz WQXJCZLVWMPNFW-UHFFFAOYSA-N 1 2 385.733 3.726 20 10 GHCDLO CCc1ccc(-c2noc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000015571793 846521736 /nfs/dbraw/zinc/52/17/36/846521736.db2.gz GSUMEFYXORLQLQ-UHFFFAOYSA-N 1 2 392.503 3.768 20 10 GHCDLO CCc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000015571793 846521737 /nfs/dbraw/zinc/52/17/37/846521737.db2.gz GSUMEFYXORLQLQ-UHFFFAOYSA-N 1 2 392.503 3.768 20 10 GHCDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000472227560 847300485 /nfs/dbraw/zinc/30/04/85/847300485.db2.gz AOIWGEWEOAQORY-UHFFFAOYSA-N 1 2 382.533 3.576 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)c3nc(-c4ccccc4C)no3)CC2)cc1 ZINC000735407780 864787898 /nfs/dbraw/zinc/78/78/98/864787898.db2.gz PFHLIFRIGDIATF-QGZVFWFLSA-N 1 2 378.476 3.937 20 10 GHCDLO COc1cc(N2CC[NH+]([C@@H](C)c3ccc(F)c(F)c3)CC2)cc(OC)c1OC ZINC000183698204 867290807 /nfs/dbraw/zinc/29/08/07/867290807.db2.gz LHFIOZJHRQTKGS-AWEZNQCLSA-N 1 2 392.446 3.874 20 10 GHCDLO OC[C@H](CC1CCC1)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000793320390 882098924 /nfs/dbraw/zinc/09/89/24/882098924.db2.gz CNSDUICFAZUFQZ-LBPRGKRZSA-N 1 2 393.119 3.558 20 10 GHCDLO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000793610820 882328879 /nfs/dbraw/zinc/32/88/79/882328879.db2.gz POTFCVKEWUYPRL-XJKSGUPXSA-N 1 2 392.293 3.665 20 10 GHCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(COc3cc(C)cc(C)c3)no2)c1 ZINC000182471754 872405488 /nfs/dbraw/zinc/40/54/88/872405488.db2.gz SRCSEWJJUZIPHL-HNNXBMFYSA-N 1 2 383.448 3.830 20 10 GHCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000775657678 872424628 /nfs/dbraw/zinc/42/46/28/872424628.db2.gz GFXGYDDRAXYZKI-CYBMUJFWSA-N 1 2 389.801 3.936 20 10 GHCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000775657678 872424636 /nfs/dbraw/zinc/42/46/36/872424636.db2.gz GFXGYDDRAXYZKI-CYBMUJFWSA-N 1 2 389.801 3.936 20 10 GHCDLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)n1-c1ccccc1Br ZINC000857982089 882692104 /nfs/dbraw/zinc/69/21/04/882692104.db2.gz MQOFNVLLLXVSND-INIZCTEOSA-N 1 2 399.292 3.928 20 10 GHCDLO CN(C)c1ccc(CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000921244845 882770023 /nfs/dbraw/zinc/77/00/23/882770023.db2.gz SAYDDWMEDVVBDS-UHFFFAOYSA-N 1 2 389.503 3.813 20 10 GHCDLO COc1cc(Br)cc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)c1O ZINC000769503781 874111424 /nfs/dbraw/zinc/11/14/24/874111424.db2.gz LXRHCAJFUQADFG-UHFFFAOYSA-N 1 2 388.302 3.715 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c1O ZINC000769503781 874111432 /nfs/dbraw/zinc/11/14/32/874111432.db2.gz LXRHCAJFUQADFG-UHFFFAOYSA-N 1 2 388.302 3.715 20 10 GHCDLO COc1cc(C[N@@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c(O)c(C(C)(C)C)c1 ZINC000771639423 875375146 /nfs/dbraw/zinc/37/51/46/875375146.db2.gz YLJPPYWBPIEVBR-IBGZPJMESA-N 1 2 387.524 3.622 20 10 GHCDLO COc1cc(C[N@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c(O)c(C(C)(C)C)c1 ZINC000771639423 875375158 /nfs/dbraw/zinc/37/51/58/875375158.db2.gz YLJPPYWBPIEVBR-IBGZPJMESA-N 1 2 387.524 3.622 20 10 GHCDLO CCOC(=O)COc1cc(Nc2ccc([NH2+]C(C)C)cc2)ccc1C(=O)OC ZINC001201504244 875722412 /nfs/dbraw/zinc/72/24/12/875722412.db2.gz DGOJHTGCVKSIBJ-UHFFFAOYSA-N 1 2 386.448 3.979 20 10 GHCDLO C[N@H+](Cc1cccc(Br)c1O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000093385554 912233037 /nfs/dbraw/zinc/23/30/37/912233037.db2.gz IORQWUJZXMXSRB-MRXNPFEDSA-N 1 2 393.256 3.531 20 10 GHCDLO C[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000093385554 912233055 /nfs/dbraw/zinc/23/30/55/912233055.db2.gz IORQWUJZXMXSRB-MRXNPFEDSA-N 1 2 393.256 3.531 20 10 GHCDLO COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O)[C@@H]1CCCO1 ZINC000788618300 878213909 /nfs/dbraw/zinc/21/39/09/878213909.db2.gz ADQZDMZMVLKLNS-HERUPUMHSA-N 1 2 378.694 3.653 20 10 GHCDLO C[N@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)Cc1ccccc1O ZINC000111235390 878959997 /nfs/dbraw/zinc/95/99/97/878959997.db2.gz HCTPMRQTPYXXBY-UHFFFAOYSA-N 1 2 397.788 3.672 20 10 GHCDLO C[N@@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)Cc1ccccc1O ZINC000111235390 878960007 /nfs/dbraw/zinc/96/00/07/878960007.db2.gz HCTPMRQTPYXXBY-UHFFFAOYSA-N 1 2 397.788 3.672 20 10 GHCDLO Cc1sc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)nc1-c1ccccc1 ZINC000789725886 879233650 /nfs/dbraw/zinc/23/36/50/879233650.db2.gz GCPNTFKHOKASCI-UHFFFAOYSA-N 1 2 387.530 3.981 20 10 GHCDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789773706 879288045 /nfs/dbraw/zinc/28/80/45/879288045.db2.gz BSLVUHYGXBWCSN-UNMCSNQZSA-N 1 2 398.478 3.541 20 10 GHCDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789773706 879288063 /nfs/dbraw/zinc/28/80/63/879288063.db2.gz BSLVUHYGXBWCSN-UNMCSNQZSA-N 1 2 398.478 3.541 20 10 GHCDLO CCN1CC[NH+](Cc2ccc(NCc3c(O)ccc(Cl)c3F)cc2)CC1 ZINC000790953062 880097734 /nfs/dbraw/zinc/09/77/34/880097734.db2.gz OPQLPJHRQOLNOF-UHFFFAOYSA-N 1 2 377.891 3.934 20 10 GHCDLO CN1CCO[C@H]([C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccc(Cl)cc2)C1 ZINC000790982141 880140812 /nfs/dbraw/zinc/14/08/12/880140812.db2.gz RBMNYKOKFMINCF-HKUYNNGSSA-N 1 2 399.293 4.000 20 10 GHCDLO CC[C@@]1([NH2+]Cc2cc(Br)cc(Br)c2O)CCOC1 ZINC000792192494 880980311 /nfs/dbraw/zinc/98/03/11/880980311.db2.gz LBMCHBFOLNPIIO-CYBMUJFWSA-N 1 2 379.092 3.576 20 10 GHCDLO Cc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000919974837 881320608 /nfs/dbraw/zinc/32/06/08/881320608.db2.gz SGOMCJVOKOSQNF-UHFFFAOYSA-N 1 2 389.927 3.588 20 10 GHCDLO C[C@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1cc(Cl)c(Cl)cc1O ZINC000858587060 883216907 /nfs/dbraw/zinc/21/69/07/883216907.db2.gz ZTQBBALTRFTSQV-JTQLQIEISA-N 1 2 380.279 3.606 20 10 GHCDLO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3cc(F)c(F)cc3O)C2)CC1 ZINC001142527227 884541634 /nfs/dbraw/zinc/54/16/34/884541634.db2.gz OUXYXUPDTGPWAT-UHFFFAOYSA-N 1 2 382.451 3.893 20 10 GHCDLO COc1ccc(O)c(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000812967237 891169114 /nfs/dbraw/zinc/16/91/14/891169114.db2.gz DRYKPFKBFTXTPD-UHFFFAOYSA-N 1 2 392.459 3.922 20 10 GHCDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc(N2CCCCC2)cc1 ZINC000874240951 892048606 /nfs/dbraw/zinc/04/86/06/892048606.db2.gz DSDPFYHVNXBACX-KRWDZBQOSA-N 1 2 380.414 3.683 20 10 GHCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Br)c(F)c1 ZINC000814177433 892341755 /nfs/dbraw/zinc/34/17/55/892341755.db2.gz BUYYGGXVIBUBQY-CQSZACIVSA-N 1 2 392.627 3.910 20 10 GHCDLO COc1cc(Br)c(C[NH2+]Cc2ccc(F)c(F)c2O)cc1OC ZINC000877024021 893442099 /nfs/dbraw/zinc/44/20/99/893442099.db2.gz OAMJVKVVZBHKLK-UHFFFAOYSA-N 1 2 388.208 3.740 20 10 GHCDLO CSCC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nnc2ccccn21 ZINC000816530432 894896664 /nfs/dbraw/zinc/89/66/64/894896664.db2.gz ICPQENYOGVIZCL-CQSZACIVSA-N 1 2 380.876 3.811 20 10 GHCDLO C[C@H]1CN(c2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2F)C[C@H](C)O1 ZINC000816535985 894906385 /nfs/dbraw/zinc/90/63/85/894906385.db2.gz ILDBIGMMMMHIRI-STQMWFEESA-N 1 2 380.410 3.713 20 10 GHCDLO CC[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000817414509 895591174 /nfs/dbraw/zinc/59/11/74/895591174.db2.gz GTJFEQBIDGETBD-RYUDHWBXSA-N 1 2 393.119 3.964 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000042290303 897398792 /nfs/dbraw/zinc/39/87/92/897398792.db2.gz QCDINBSGTYQUPA-FXAWDEMLSA-N 1 2 399.560 3.631 20 10 GHCDLO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C[C@H]1C ZINC000824815706 899823278 /nfs/dbraw/zinc/82/32/78/899823278.db2.gz XDAJBUWHJYRDNZ-RNCFNFMXSA-N 1 2 393.119 3.774 20 10 GHCDLO CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C[C@H]1C ZINC000824815706 899823285 /nfs/dbraw/zinc/82/32/85/899823285.db2.gz XDAJBUWHJYRDNZ-RNCFNFMXSA-N 1 2 393.119 3.774 20 10 GHCDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824934107 899895307 /nfs/dbraw/zinc/89/53/07/899895307.db2.gz PUERMCOUKLBOBX-LPHOPBHVSA-N 1 2 389.492 3.616 20 10 GHCDLO COc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824934107 899895315 /nfs/dbraw/zinc/89/53/15/899895315.db2.gz PUERMCOUKLBOBX-LPHOPBHVSA-N 1 2 389.492 3.616 20 10 GHCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)no1 ZINC000290241762 914593060 /nfs/dbraw/zinc/59/30/60/914593060.db2.gz SSFYAWLJSQZPHK-WDEREUQCSA-N 1 2 384.274 3.794 20 10 GHCDLO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc2)C[C@H](C)O1 ZINC000180844957 906857444 /nfs/dbraw/zinc/85/74/44/906857444.db2.gz CNPMTGCBDBDSRK-GJZGRUSLSA-N 1 2 388.895 3.585 20 10 GHCDLO COc1ccc(C(=O)c2ccccc2Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001174979535 907329434 /nfs/dbraw/zinc/32/94/34/907329434.db2.gz OJPCOPMVYPIFJI-UHFFFAOYSA-N 1 2 389.455 3.901 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000777441782 908201237 /nfs/dbraw/zinc/20/12/37/908201237.db2.gz YDHVYGDQVVCWRR-LJQANCHMSA-N 1 2 382.504 3.650 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000777441782 908201241 /nfs/dbraw/zinc/20/12/41/908201241.db2.gz YDHVYGDQVVCWRR-LJQANCHMSA-N 1 2 382.504 3.650 20 10 GHCDLO CCCCOCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001177537195 908632242 /nfs/dbraw/zinc/63/22/42/908632242.db2.gz LSXKBYJIMGQQPO-UHFFFAOYSA-N 1 2 381.108 3.824 20 10 GHCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001177911228 908798766 /nfs/dbraw/zinc/79/87/66/908798766.db2.gz HLKBQPUKUHNVGB-VQIMIIECSA-N 1 2 395.330 3.672 20 10 GHCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001177911228 908798778 /nfs/dbraw/zinc/79/87/78/908798778.db2.gz HLKBQPUKUHNVGB-VQIMIIECSA-N 1 2 395.330 3.672 20 10 GHCDLO CCN(CC)c1ccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1F ZINC000092614456 911652806 /nfs/dbraw/zinc/65/28/06/911652806.db2.gz JZIPAMKLCOJFDG-UHFFFAOYSA-N 1 2 395.473 3.581 20 10 GHCDLO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cc(Br)cc(F)c1O ZINC000774380252 911689095 /nfs/dbraw/zinc/68/90/95/911689095.db2.gz ROQAWIKPEDUATF-ZETCQYMHSA-N 1 2 392.162 3.861 20 10 GHCDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1C(F)(F)F ZINC000775205195 916244355 /nfs/dbraw/zinc/24/43/55/916244355.db2.gz QHMVLCQKGNLUPW-UHFFFAOYSA-N 1 2 393.814 3.758 20 10 GHCDLO C[C@H]([NH2+]Cc1cn(C)cn1)c1cc(Br)cc(Br)c1O ZINC000903350680 922949982 /nfs/dbraw/zinc/94/99/82/922949982.db2.gz DJOXDLZUFASLDP-QMMMGPOBSA-N 1 2 389.091 3.502 20 10 GHCDLO CC1(C)C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CO1 ZINC000826797367 924206479 /nfs/dbraw/zinc/20/64/79/924206479.db2.gz RWLGHEGNEZPZLI-JTQLQIEISA-N 1 2 379.092 3.574 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780764508 930593222 /nfs/dbraw/zinc/59/32/22/930593222.db2.gz MFSAHNPRRVPUHW-FQEVSTJZSA-N 1 2 379.464 3.582 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000783706773 931624532 /nfs/dbraw/zinc/62/45/32/931624532.db2.gz ZLRUVZADGDZGTE-NSHDSACASA-N 1 2 377.076 3.700 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)c(C)n1-c1ccc(C)cc1 ZINC000784604646 931955147 /nfs/dbraw/zinc/95/51/47/931955147.db2.gz VUFKLPWLFLEDOS-UHFFFAOYSA-N 1 2 396.531 3.714 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCOCC3(CCOCC3)C2)c(C)n1-c1ccc(C)cc1 ZINC000784604646 931955152 /nfs/dbraw/zinc/95/51/52/931955152.db2.gz VUFKLPWLFLEDOS-UHFFFAOYSA-N 1 2 396.531 3.714 20 10 GHCDLO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCc3[nH]ncc32)NC(=O)OC(C)(C)C)cc1 ZINC000796897369 932102427 /nfs/dbraw/zinc/10/24/27/932102427.db2.gz LRHCJSFYSRPDPW-ICSRJNTNSA-N 1 2 399.539 3.709 20 10 GHCDLO C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1cc(Br)cc(F)c1O ZINC000927121601 932421372 /nfs/dbraw/zinc/42/13/72/932421372.db2.gz NTHJUHDMMCAXAK-MRVPVSSYSA-N 1 2 387.274 3.674 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001125167382 935540306 /nfs/dbraw/zinc/54/03/06/935540306.db2.gz WXWBMGLLDRHBLW-UHFFFAOYSA-N 1 2 393.447 3.557 20 10 GHCDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1 ZINC001137731045 935753935 /nfs/dbraw/zinc/75/39/35/935753935.db2.gz XSFMXSSOCQTHHW-IBGZPJMESA-N 1 2 390.447 3.834 20 10 GHCDLO C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1cc(C(=O)[O-])ccc1O ZINC001593210189 994244275 /nfs/dbraw/zinc/24/42/75/994244275.db2.gz NIOVNIMUCWODJR-IAGOWNOFSA-N 1 2 398.503 3.641 20 10 GHCDLO C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593218847 994292418 /nfs/dbraw/zinc/29/24/18/994292418.db2.gz IGRDMEDSMDLCAM-VCANKDNSSA-N 1 2 386.414 3.546 20 10 GHCDLO COc1cc(OC)c(C[C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c(OC)c1 ZINC000834881487 1021606478 /nfs/dbraw/zinc/60/64/78/1021606478.db2.gz QPSPIYXLFNMCAK-NEPJUHHUSA-N 1 2 381.419 3.978 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000748832226 1021725383 /nfs/dbraw/zinc/72/53/83/1021725383.db2.gz FIZOJEGBUAYEJV-JOCHJYFZSA-N 1 2 396.531 3.855 20 10 GHCDLO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001140663505 1022204014 /nfs/dbraw/zinc/20/40/14/1022204014.db2.gz HGTDHCXQXLJUQU-UHFFFAOYSA-N 1 2 389.902 3.638 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)c(Cl)c1 ZINC001140926473 1022903211 /nfs/dbraw/zinc/90/32/11/1022903211.db2.gz MFWXHRSGWADQEW-OAHLLOKOSA-N 1 2 383.721 3.812 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)c(Cl)c1 ZINC001140926473 1022903217 /nfs/dbraw/zinc/90/32/17/1022903217.db2.gz MFWXHRSGWADQEW-OAHLLOKOSA-N 1 2 383.721 3.812 20 10 GHCDLO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2O)N2CCOCC2)cc1 ZINC000756434167 1023646945 /nfs/dbraw/zinc/64/69/45/1023646945.db2.gz IYDJTVIVEHWNSR-FOIQADDNSA-N 1 2 376.447 3.703 20 10 GHCDLO C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1cc(Br)c(F)cc1O ZINC000756456929 1023660439 /nfs/dbraw/zinc/66/04/39/1023660439.db2.gz GMKUWEKXAUXJQO-SNVBAGLBSA-N 1 2 399.235 3.514 20 10 GHCDLO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(Br)cc(F)c1O ZINC000756455462 1023660904 /nfs/dbraw/zinc/66/09/04/1023660904.db2.gz DAJGDULGFAWWMW-GXTWGEPZSA-N 1 2 382.273 3.796 20 10 GHCDLO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Br)cc(F)c1O ZINC000756637858 1023748610 /nfs/dbraw/zinc/74/86/10/1023748610.db2.gz JUZTUVQHNIRFMH-NSHDSACASA-N 1 2 387.293 3.736 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000756779340 1023812245 /nfs/dbraw/zinc/81/22/45/1023812245.db2.gz JHUSXQJACLETMX-FEMPBKKVSA-N 1 2 380.822 3.946 20 10 GHCDLO Cc1c(C[N@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138255929 1024480942 /nfs/dbraw/zinc/48/09/42/1024480942.db2.gz YCDMVTROKGRLGW-IBGZPJMESA-N 1 2 378.520 3.742 20 10 GHCDLO Cc1c(C[N@@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138255929 1024480955 /nfs/dbraw/zinc/48/09/55/1024480955.db2.gz YCDMVTROKGRLGW-IBGZPJMESA-N 1 2 378.520 3.742 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC001138563322 1025030383 /nfs/dbraw/zinc/03/03/83/1025030383.db2.gz HKKQONMPYWTOAU-UHFFFAOYSA-N 1 2 386.499 3.990 20 10 GHCDLO Brc1cc(CN2CCn3c[nH+]cc3C2)ccc1N1CCCCC1 ZINC000839107625 1025606964 /nfs/dbraw/zinc/60/69/64/1025606964.db2.gz LDFGWDHDWDRCRO-UHFFFAOYSA-N 1 2 375.314 3.652 20 10 GHCDLO Cc1cc(C)c(NC(=O)C[NH2+]Cc2cc(Br)cc(F)c2O)c(C)c1 ZINC001461020880 1069340129 /nfs/dbraw/zinc/34/01/29/1069340129.db2.gz OQJDYJNUCIMSQV-UHFFFAOYSA-N 1 2 395.272 3.947 20 10 GHCDLO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130274 1025943497 /nfs/dbraw/zinc/94/34/97/1025943497.db2.gz WLTVMLXUAJJTLR-MRXNPFEDSA-N 1 2 380.444 3.554 20 10 GHCDLO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130274 1025943499 /nfs/dbraw/zinc/94/34/99/1025943499.db2.gz WLTVMLXUAJJTLR-MRXNPFEDSA-N 1 2 380.444 3.554 20 10 GHCDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)[C@@H](C)O1 ZINC001203370397 1027297176 /nfs/dbraw/zinc/29/71/76/1027297176.db2.gz ZKEUCMDJHGALLU-RWYTXXIDSA-N 1 2 379.092 3.573 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@]1(C)O ZINC001203565312 1027436012 /nfs/dbraw/zinc/43/60/12/1027436012.db2.gz ZXZXHGKYURLWEB-OTYXRUKQSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@]1(C)O ZINC001203565312 1027436020 /nfs/dbraw/zinc/43/60/20/1027436020.db2.gz ZXZXHGKYURLWEB-OTYXRUKQSA-N 1 2 393.119 3.510 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2Cc1cc(Br)ccc1O ZINC001203639719 1027498157 /nfs/dbraw/zinc/49/81/57/1027498157.db2.gz IRVLPVIBPOUTDT-HUUCEWRRSA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2Cc1cc(Br)ccc1O ZINC001203639719 1027498160 /nfs/dbraw/zinc/49/81/60/1027498160.db2.gz IRVLPVIBPOUTDT-HUUCEWRRSA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@H+](Cc3cccc(C(C)(C)C)c3O)[C@@H]2C1 ZINC001143103418 1029842723 /nfs/dbraw/zinc/84/27/23/1029842723.db2.gz CQNJQCZSAOATNM-QZTJIDSGSA-N 1 2 390.524 3.510 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@@H+](Cc3cccc(C(C)(C)C)c3O)[C@@H]2C1 ZINC001143103418 1029842729 /nfs/dbraw/zinc/84/27/29/1029842729.db2.gz CQNJQCZSAOATNM-QZTJIDSGSA-N 1 2 390.524 3.510 20 10 GHCDLO Oc1ccc(-c2nc(-c3cccc4c3CCCC4)no2)cc1C[NH+]1CCOCC1 ZINC001217056251 1030128932 /nfs/dbraw/zinc/12/89/32/1030128932.db2.gz JBIAFRKQUXZVFL-UHFFFAOYSA-N 1 2 391.471 3.820 20 10 GHCDLO O=C1CCC2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)CN1CC(F)F ZINC001277387070 1033478973 /nfs/dbraw/zinc/47/89/73/1033478973.db2.gz DUTURYWGBIHQDT-UHFFFAOYSA-N 1 2 390.833 3.654 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2nn(CC3CC3)cc21 ZINC001231851856 1034942442 /nfs/dbraw/zinc/94/24/42/1034942442.db2.gz NSFPCPRJIHZOBJ-IBGZPJMESA-N 1 2 398.551 3.504 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2nn(CC3CC3)cc21 ZINC001231851856 1034942444 /nfs/dbraw/zinc/94/24/44/1034942444.db2.gz NSFPCPRJIHZOBJ-IBGZPJMESA-N 1 2 398.551 3.504 20 10 GHCDLO CCN1CC[C@@]2(C[N@H+](Cc3cccc(Cl)c3O)C[C@@H]2c2ccccc2)C1=O ZINC001231911104 1034985236 /nfs/dbraw/zinc/98/52/36/1034985236.db2.gz BMPNWKOGHXSVHJ-GCJKJVERSA-N 1 2 384.907 3.884 20 10 GHCDLO CCN1CC[C@@]2(C[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]2c2ccccc2)C1=O ZINC001231911104 1034985238 /nfs/dbraw/zinc/98/52/38/1034985238.db2.gz BMPNWKOGHXSVHJ-GCJKJVERSA-N 1 2 384.907 3.884 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)Cc2cnn(CC3CC3)c21 ZINC001231912373 1034986948 /nfs/dbraw/zinc/98/69/48/1034986948.db2.gz ZMJLOPAIFWZLKC-QGZVFWFLSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)Cc2cnn(CC3CC3)c21 ZINC001231912373 1034986952 /nfs/dbraw/zinc/98/69/52/1034986952.db2.gz ZMJLOPAIFWZLKC-QGZVFWFLSA-N 1 2 375.900 3.788 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC001462189489 1070067543 /nfs/dbraw/zinc/06/75/43/1070067543.db2.gz BOFUKTJSZILBHX-LLVKDONJSA-N 1 2 395.276 3.669 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC001462189489 1070067561 /nfs/dbraw/zinc/06/75/61/1070067561.db2.gz BOFUKTJSZILBHX-LLVKDONJSA-N 1 2 395.276 3.669 20 10 GHCDLO COc1cc(O)c(CN2CC3(C2)CC[N@H+](Cc2csc(C)n2)C3)cc1Cl ZINC001232265923 1037988078 /nfs/dbraw/zinc/98/80/78/1037988078.db2.gz SOYIXAZZYIEKEE-UHFFFAOYSA-N 1 2 393.940 3.527 20 10 GHCDLO COc1cc(O)c(CN2CC3(C2)CC[N@@H+](Cc2csc(C)n2)C3)cc1Cl ZINC001232265923 1037988084 /nfs/dbraw/zinc/98/80/84/1037988084.db2.gz SOYIXAZZYIEKEE-UHFFFAOYSA-N 1 2 393.940 3.527 20 10 GHCDLO COc1cc(O)c(C[N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1Cl ZINC001232266360 1037988532 /nfs/dbraw/zinc/98/85/32/1037988532.db2.gz LTSUKINDXPFEEQ-BETUJISGSA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1Cl ZINC001232266360 1037988534 /nfs/dbraw/zinc/98/85/34/1037988534.db2.gz LTSUKINDXPFEEQ-BETUJISGSA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(O)c(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)cc1Cl ZINC001232267113 1037988611 /nfs/dbraw/zinc/98/86/11/1037988611.db2.gz WQOOVDMDJJQRKY-UHFFFAOYSA-N 1 2 382.888 3.640 20 10 GHCDLO C[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)[C@@H]1CC(C)(C)OC1=O ZINC001462277135 1070137844 /nfs/dbraw/zinc/13/78/44/1070137844.db2.gz ACILXYDXWBIUSS-QGZVFWFLSA-N 1 2 395.341 3.965 20 10 GHCDLO C[N@@H+](Cc1ccc(N2CCCCC2)c(Br)c1)[C@@H]1CC(C)(C)OC1=O ZINC001462277135 1070137853 /nfs/dbraw/zinc/13/78/53/1070137853.db2.gz ACILXYDXWBIUSS-QGZVFWFLSA-N 1 2 395.341 3.965 20 10 GHCDLO CC(C)(C)OC(=O)N1CCOC2(C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001233284266 1039058507 /nfs/dbraw/zinc/05/85/07/1039058507.db2.gz OANGJUYUNPYUCO-UHFFFAOYSA-N 1 2 390.524 3.511 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1O ZINC001233290084 1039074974 /nfs/dbraw/zinc/07/49/74/1039074974.db2.gz HNISYFDSYJLYFI-UHFFFAOYSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1O ZINC001233290084 1039074981 /nfs/dbraw/zinc/07/49/81/1039074981.db2.gz HNISYFDSYJLYFI-UHFFFAOYSA-N 1 2 384.904 3.886 20 10 GHCDLO O=C1CC2(CC[NH+](Cc3c(O)ccc(F)c3F)CC2)Oc2ccc(F)cc21 ZINC001233336046 1039138906 /nfs/dbraw/zinc/13/89/06/1039138906.db2.gz WRQUSGVZBIPWQC-UHFFFAOYSA-N 1 2 377.362 3.810 20 10 GHCDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416519 1039272618 /nfs/dbraw/zinc/27/26/18/1039272618.db2.gz LIIAVBZNKZPKBA-UHFFFAOYSA-N 1 2 386.414 3.900 20 10 GHCDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416519 1039272629 /nfs/dbraw/zinc/27/26/29/1039272629.db2.gz LIIAVBZNKZPKBA-UHFFFAOYSA-N 1 2 386.414 3.900 20 10 GHCDLO Oc1c(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417169 1039274181 /nfs/dbraw/zinc/27/41/81/1039274181.db2.gz KTARZJXLKBUYPS-OAHLLOKOSA-N 1 2 395.425 3.666 20 10 GHCDLO Oc1c(C[N@@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)cccc1C(F)(F)F ZINC001233417169 1039274190 /nfs/dbraw/zinc/27/41/90/1039274190.db2.gz KTARZJXLKBUYPS-OAHLLOKOSA-N 1 2 395.425 3.666 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@]1(F)CC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233419848 1039281849 /nfs/dbraw/zinc/28/18/49/1039281849.db2.gz OTPWUHRQICRXOD-KRWDZBQOSA-N 1 2 392.393 3.850 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@]1(F)CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233419848 1039281859 /nfs/dbraw/zinc/28/18/59/1039281859.db2.gz OTPWUHRQICRXOD-KRWDZBQOSA-N 1 2 392.393 3.850 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001235057483 1040548156 /nfs/dbraw/zinc/54/81/56/1040548156.db2.gz OTYWGTGJZYNAOT-UHFFFAOYSA-N 1 2 395.272 3.980 20 10 GHCDLO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1C ZINC001235074921 1040563385 /nfs/dbraw/zinc/56/33/85/1040563385.db2.gz IJQXCELVXCDZFP-VXGBXAGGSA-N 1 2 388.277 3.705 20 10 GHCDLO CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1C ZINC001235074921 1040563398 /nfs/dbraw/zinc/56/33/98/1040563398.db2.gz IJQXCELVXCDZFP-VXGBXAGGSA-N 1 2 388.277 3.705 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001235303009 1040774934 /nfs/dbraw/zinc/77/49/34/1040774934.db2.gz YIFSXFSMTZIDGK-UHFFFAOYSA-N 1 2 398.247 3.917 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794896 1041899976 /nfs/dbraw/zinc/89/99/76/1041899976.db2.gz FNOPEGYRVGOPAB-CVEARBPZSA-N 1 2 382.888 3.638 20 10 GHCDLO CC(C)OCc1ncn2c1C[N@H+](Cc1c(O)cccc1OC(F)(F)F)CCC2 ZINC001237110817 1042043516 /nfs/dbraw/zinc/04/35/16/1042043516.db2.gz LRASYUXQJLSTHL-UHFFFAOYSA-N 1 2 399.413 3.818 20 10 GHCDLO CC(C)OCc1ncn2c1C[N@@H+](Cc1c(O)cccc1OC(F)(F)F)CCC2 ZINC001237110817 1042043518 /nfs/dbraw/zinc/04/35/18/1042043518.db2.gz LRASYUXQJLSTHL-UHFFFAOYSA-N 1 2 399.413 3.818 20 10 GHCDLO Cc1cncc(COCc2cnc3n2CC[N@@H+](Cc2c(C)cccc2O)[C@@H]3C)c1 ZINC001237488545 1042231544 /nfs/dbraw/zinc/23/15/44/1042231544.db2.gz NFECVMPREYSUHG-GOSISDBHSA-N 1 2 392.503 3.894 20 10 GHCDLO Cc1cncc(COCc2cnc3n2CC[N@H+](Cc2c(C)cccc2O)[C@@H]3C)c1 ZINC001237488545 1042231547 /nfs/dbraw/zinc/23/15/47/1042231547.db2.gz NFECVMPREYSUHG-GOSISDBHSA-N 1 2 392.503 3.894 20 10 GHCDLO CN1C(=O)C2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)[C@H]1c1ccccc1 ZINC001237617690 1042284179 /nfs/dbraw/zinc/28/41/79/1042284179.db2.gz CEUACAVLJATXLY-LJQANCHMSA-N 1 2 388.870 3.980 20 10 GHCDLO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(Cl)cc(F)c1O ZINC001237622818 1042289534 /nfs/dbraw/zinc/28/95/34/1042289534.db2.gz BIPOYUFBCWOZMP-OAHLLOKOSA-N 1 2 375.868 3.755 20 10 GHCDLO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(Cl)cc(F)c1O ZINC001237622818 1042289540 /nfs/dbraw/zinc/28/95/40/1042289540.db2.gz BIPOYUFBCWOZMP-OAHLLOKOSA-N 1 2 375.868 3.755 20 10 GHCDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(I)c1O ZINC001237783271 1042366364 /nfs/dbraw/zinc/36/63/64/1042366364.db2.gz JLIKOAAORHWNHY-GFCCVEGCSA-N 1 2 379.241 3.944 20 10 GHCDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(I)c1O ZINC001237783271 1042366366 /nfs/dbraw/zinc/36/63/66/1042366366.db2.gz JLIKOAAORHWNHY-GFCCVEGCSA-N 1 2 379.241 3.944 20 10 GHCDLO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237784157 1042367053 /nfs/dbraw/zinc/36/70/53/1042367053.db2.gz RHLZHWLDNWZTLK-VHSXEESVSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237784157 1042367059 /nfs/dbraw/zinc/36/70/59/1042367059.db2.gz RHLZHWLDNWZTLK-VHSXEESVSA-N 1 2 382.220 3.766 20 10 GHCDLO CN1CC[C@@]2(C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]2c2ccccc2)C1=O ZINC001237801979 1042378335 /nfs/dbraw/zinc/37/83/35/1042378335.db2.gz YIHXNHFWAMFLSB-UTKZUKDTSA-N 1 2 388.870 3.633 20 10 GHCDLO CN1CC[C@@]2(C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]2c2ccccc2)C1=O ZINC001237801979 1042378343 /nfs/dbraw/zinc/37/83/43/1042378343.db2.gz YIHXNHFWAMFLSB-UTKZUKDTSA-N 1 2 388.870 3.633 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)Cc2cn(CC3CC3)nc21 ZINC001237938594 1042429441 /nfs/dbraw/zinc/42/94/41/1042429441.db2.gz KXPAJAFQPJEQFV-MRXNPFEDSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)Cc2cn(CC3CC3)nc21 ZINC001237938594 1042429442 /nfs/dbraw/zinc/42/94/42/1042429442.db2.gz KXPAJAFQPJEQFV-MRXNPFEDSA-N 1 2 393.890 3.927 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1F ZINC001237949470 1042434990 /nfs/dbraw/zinc/43/49/90/1042434990.db2.gz MQCGQJUMJVINRN-TZMCWYRMSA-N 1 2 376.831 3.622 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1F ZINC001237949470 1042434991 /nfs/dbraw/zinc/43/49/91/1042434991.db2.gz MQCGQJUMJVINRN-TZMCWYRMSA-N 1 2 376.831 3.622 20 10 GHCDLO Oc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)cc1Cl ZINC001279572793 1047843181 /nfs/dbraw/zinc/84/31/81/1047843181.db2.gz OJWLLLXAXKIQKR-KBPBESRZSA-N 1 2 378.822 3.742 20 10 GHCDLO Oc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)cc1Cl ZINC001279572793 1047843196 /nfs/dbraw/zinc/84/31/96/1047843196.db2.gz OJWLLLXAXKIQKR-KBPBESRZSA-N 1 2 378.822 3.742 20 10 GHCDLO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)cc1Cl ZINC001279572751 1047843364 /nfs/dbraw/zinc/84/33/64/1047843364.db2.gz NHPGYNXXJFYNCV-SMDDNHRTSA-N 1 2 378.822 3.600 20 10 GHCDLO Oc1cc(O)c(C[N@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)cc1Cl ZINC001279572751 1047843378 /nfs/dbraw/zinc/84/33/78/1047843378.db2.gz NHPGYNXXJFYNCV-SMDDNHRTSA-N 1 2 378.822 3.600 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)c(Cl)c1 ZINC001279665307 1047905244 /nfs/dbraw/zinc/90/52/44/1047905244.db2.gz LKUPNPISVJWWIH-BLLLJJGKSA-N 1 2 392.849 3.903 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)c(Cl)c1 ZINC001279665307 1047905245 /nfs/dbraw/zinc/90/52/45/1047905245.db2.gz LKUPNPISVJWWIH-BLLLJJGKSA-N 1 2 392.849 3.903 20 10 GHCDLO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cc(Cl)c(Cl)cc2O)C3)[nH]1 ZINC001279665816 1047905926 /nfs/dbraw/zinc/90/59/26/1047905926.db2.gz YHVXMIIUQHVIND-DOMZBBRYSA-N 1 2 394.302 3.506 20 10 GHCDLO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C3)[nH]1 ZINC001279665816 1047905929 /nfs/dbraw/zinc/90/59/29/1047905929.db2.gz YHVXMIIUQHVIND-DOMZBBRYSA-N 1 2 394.302 3.506 20 10 GHCDLO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001307712674 1049528188 /nfs/dbraw/zinc/52/81/88/1049528188.db2.gz JSOLNZQWGXCUTA-KUHUBIRLSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001307712674 1049528195 /nfs/dbraw/zinc/52/81/95/1049528195.db2.gz JSOLNZQWGXCUTA-KUHUBIRLSA-N 1 2 376.456 3.521 20 10 GHCDLO COc1ccc(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)c(OC)c1 ZINC001308014226 1049764511 /nfs/dbraw/zinc/76/45/11/1049764511.db2.gz LBHSWWPRAIFJHV-UHFFFAOYSA-N 1 2 378.875 3.861 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001308737591 1050076457 /nfs/dbraw/zinc/07/64/57/1050076457.db2.gz JKQHORVLADFKNH-CYBMUJFWSA-N 1 2 399.235 3.871 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001308737591 1050076460 /nfs/dbraw/zinc/07/64/60/1050076460.db2.gz JKQHORVLADFKNH-CYBMUJFWSA-N 1 2 399.235 3.871 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1Cl ZINC001308826714 1050110662 /nfs/dbraw/zinc/11/06/62/1050110662.db2.gz XAIJZYZWFZHAMH-FQEVSTJZSA-N 1 2 384.907 3.903 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)c1 ZINC001308848957 1050123341 /nfs/dbraw/zinc/12/33/41/1050123341.db2.gz KKHRUTYFSCXRLP-SFHVURJKSA-N 1 2 389.337 3.822 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@H+](C)C[C@@H]2Cc2ccccc2)c1 ZINC001308848957 1050123349 /nfs/dbraw/zinc/12/33/49/1050123349.db2.gz KKHRUTYFSCXRLP-SFHVURJKSA-N 1 2 389.337 3.822 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001312886372 1052903027 /nfs/dbraw/zinc/90/30/27/1052903027.db2.gz VWVOTEMJCBWLDV-SFHVURJKSA-N 1 2 395.551 3.673 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC001318314917 1054562199 /nfs/dbraw/zinc/56/21/99/1054562199.db2.gz VTKNNJSHKTWGTH-DLBZAZTESA-N 1 2 389.927 3.587 20 10 GHCDLO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC001319841593 1055499782 /nfs/dbraw/zinc/49/97/82/1055499782.db2.gz NHWXVWHYMJRSRW-INIZCTEOSA-N 1 2 389.293 3.549 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC001470317770 1068678542 /nfs/dbraw/zinc/67/85/42/1068678542.db2.gz JRNRZAYQFWAMBX-UHFFFAOYSA-N 1 2 397.910 3.933 20 10 GHCDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)(C)C1 ZINC001473757216 1074126313 /nfs/dbraw/zinc/12/63/13/1074126313.db2.gz YUMAJEWIADDXMP-AWEZNQCLSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)(C)C1 ZINC001473757216 1074126319 /nfs/dbraw/zinc/12/63/19/1074126319.db2.gz YUMAJEWIADDXMP-AWEZNQCLSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1nnc2ccccn21 ZINC001473921601 1074204691 /nfs/dbraw/zinc/20/46/91/1074204691.db2.gz OEFYLJBVMDDBAT-SECBINFHSA-N 1 2 381.661 3.702 20 10 GHCDLO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001474226335 1074300469 /nfs/dbraw/zinc/30/04/69/1074300469.db2.gz BTWCHWOHMRYVEL-KRWDZBQOSA-N 1 2 386.236 3.516 20 10 GHCDLO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(F)cc(F)c2O)[C@@H](C)C1 ZINC001474470153 1074420605 /nfs/dbraw/zinc/42/06/05/1074420605.db2.gz ARGZKKHLQPYOAT-HNNXBMFYSA-N 1 2 376.447 3.775 20 10 GHCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000052466969 834756692 /nfs/dbraw/zinc/75/66/92/834756692.db2.gz PBEZYUINACBLHZ-HNNXBMFYSA-N 1 2 389.446 3.513 20 10 GHCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000052466969 834756698 /nfs/dbraw/zinc/75/66/98/834756698.db2.gz PBEZYUINACBLHZ-HNNXBMFYSA-N 1 2 389.446 3.513 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000193215555 835832072 /nfs/dbraw/zinc/83/20/72/835832072.db2.gz VFWIYOYIHKWTGE-UHFFFAOYSA-N 1 2 378.476 3.650 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000193215555 835832078 /nfs/dbraw/zinc/83/20/78/835832078.db2.gz VFWIYOYIHKWTGE-UHFFFAOYSA-N 1 2 378.476 3.650 20 10 GHCDLO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756072369 838303932 /nfs/dbraw/zinc/30/39/32/838303932.db2.gz QSQOLCHXWHMVGR-UWVGGRQHSA-N 1 2 391.281 3.858 20 10 GHCDLO C[C@@H](c1nc2ccccc2s1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000023849081 841487297 /nfs/dbraw/zinc/48/72/97/841487297.db2.gz FRTRZYUQMVNPOA-AWEZNQCLSA-N 1 2 397.500 3.609 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(C)n1-c1cccc(F)c1 ZINC000732212186 862136662 /nfs/dbraw/zinc/13/66/62/862136662.db2.gz PAAXBBXSZDTZJQ-HXUWFJFHSA-N 1 2 397.494 3.503 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c(C)n1-c1cccc(F)c1 ZINC000732212186 862136677 /nfs/dbraw/zinc/13/66/77/862136677.db2.gz PAAXBBXSZDTZJQ-HXUWFJFHSA-N 1 2 397.494 3.503 20 10 GHCDLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000760886743 856232948 /nfs/dbraw/zinc/23/29/48/856232948.db2.gz ODYFAJDLOASKFP-QCZZGDTMSA-N 1 2 378.694 3.653 20 10 GHCDLO Oc1c(I)cccc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001237789324 864349500 /nfs/dbraw/zinc/34/95/00/864349500.db2.gz RZRVLLZUMBWXSJ-UHFFFAOYSA-N 1 2 387.261 3.530 20 10 GHCDLO Oc1c(I)cccc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001237789324 864349517 /nfs/dbraw/zinc/34/95/17/864349517.db2.gz RZRVLLZUMBWXSJ-UHFFFAOYSA-N 1 2 387.261 3.530 20 10 GHCDLO COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000729577024 865264342 /nfs/dbraw/zinc/26/43/42/865264342.db2.gz ZZACDICLCVCULB-CVEARBPZSA-N 1 2 399.491 3.677 20 10 GHCDLO CN(C)c1ccc(C[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)c(C(F)(F)F)c1 ZINC000793060615 881925929 /nfs/dbraw/zinc/92/59/29/881925929.db2.gz XDJITZIECAMIPF-UHFFFAOYSA-N 1 2 393.388 3.985 20 10 GHCDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741711696 866726513 /nfs/dbraw/zinc/72/65/13/866726513.db2.gz NAXJIYMNAQWNON-UHFFFAOYSA-N 1 2 379.504 3.950 20 10 GHCDLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741711696 866726518 /nfs/dbraw/zinc/72/65/18/866726518.db2.gz NAXJIYMNAQWNON-UHFFFAOYSA-N 1 2 379.504 3.950 20 10 GHCDLO COc1ccc(N2CCC[N@H+](Cc3nc([C@@H](C)OCC(C)C)no3)CC2)cc1 ZINC000173870448 882411727 /nfs/dbraw/zinc/41/17/27/882411727.db2.gz KDGGPINBDVIOHE-QGZVFWFLSA-N 1 2 388.512 3.524 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](Cc3nc([C@@H](C)OCC(C)C)no3)CC2)cc1 ZINC000173870448 882411738 /nfs/dbraw/zinc/41/17/38/882411738.db2.gz KDGGPINBDVIOHE-QGZVFWFLSA-N 1 2 388.512 3.524 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(Br)cc(F)c1O ZINC000857875508 882605410 /nfs/dbraw/zinc/60/54/10/882605410.db2.gz QSGIBDHIHHXXFA-QLJPJBMISA-N 1 2 393.256 3.658 20 10 GHCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1O ZINC000775651946 872381528 /nfs/dbraw/zinc/38/15/28/872381528.db2.gz TXWTWFCZAQIITL-UHFFFAOYSA-N 1 2 380.822 3.590 20 10 GHCDLO CC1(C)C[N@H+](Cc2cc(Br)cc(Br)c2O)CCCO1 ZINC000775710232 873040905 /nfs/dbraw/zinc/04/09/05/873040905.db2.gz KIWJUXVPRKXWTJ-UHFFFAOYSA-N 1 2 393.119 3.918 20 10 GHCDLO CC1(C)C[N@@H+](Cc2cc(Br)cc(Br)c2O)CCCO1 ZINC000775710232 873040922 /nfs/dbraw/zinc/04/09/22/873040922.db2.gz KIWJUXVPRKXWTJ-UHFFFAOYSA-N 1 2 393.119 3.918 20 10 GHCDLO COc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4ccc(OC)cc4)CC3)n2)cc1 ZINC000768539177 873370542 /nfs/dbraw/zinc/37/05/42/873370542.db2.gz VSTFRGIVDLSNMG-INIZCTEOSA-N 1 2 394.475 3.637 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000769152426 873851604 /nfs/dbraw/zinc/85/16/04/873851604.db2.gz KDWSAQJVBGVPKS-UHFFFAOYSA-N 1 2 375.875 3.503 20 10 GHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000775898988 874662387 /nfs/dbraw/zinc/66/23/87/874662387.db2.gz GCWXHGGUKYTYQY-GOSISDBHSA-N 1 2 381.303 3.862 20 10 GHCDLO CC[C@H]([NH2+]Cc1c(O)cccc1Br)c1nnc2n1CCCCC2 ZINC000858122249 882862796 /nfs/dbraw/zinc/86/27/96/882862796.db2.gz FQJIYPOTFQIOGG-AWEZNQCLSA-N 1 2 379.302 3.714 20 10 GHCDLO O=C(Nc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1)[C@H]1CCCO1 ZINC001199701060 875157450 /nfs/dbraw/zinc/15/74/50/875157450.db2.gz OHYSLAXEENEVMZ-QGZVFWFLSA-N 1 2 378.831 3.592 20 10 GHCDLO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000786584509 876772875 /nfs/dbraw/zinc/77/28/75/876772875.db2.gz UGGTXPUTRQTCHU-SWLSCSKDSA-N 1 2 382.273 3.856 20 10 GHCDLO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000850500434 876975364 /nfs/dbraw/zinc/97/53/64/876975364.db2.gz DGOFEQOVDMOLNH-DDFXLWFNSA-N 1 2 390.293 3.511 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(Br)cc(F)c1O ZINC000850503240 876977866 /nfs/dbraw/zinc/97/78/66/876977866.db2.gz VFUFMWSOWIYFJD-HGKUSOMCSA-N 1 2 378.307 3.634 20 10 GHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NCC1(c2ccccc2)CC1 ZINC000109761123 877424734 /nfs/dbraw/zinc/42/47/34/877424734.db2.gz XAKRKACSCULMQD-UHFFFAOYSA-N 1 2 390.483 3.835 20 10 GHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NCC1(c2ccccc2)CC1 ZINC000109761123 877424744 /nfs/dbraw/zinc/42/47/44/877424744.db2.gz XAKRKACSCULMQD-UHFFFAOYSA-N 1 2 390.483 3.835 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F ZINC000122089030 878256838 /nfs/dbraw/zinc/25/68/38/878256838.db2.gz XKMULKYFVPYKCP-HNNXBMFYSA-N 1 2 382.439 3.768 20 10 GHCDLO Cc1cccc(C[NH+](Cc2cccc(C)n2)Cc2cc3c(cc2O)OCO3)n1 ZINC000180523137 879013402 /nfs/dbraw/zinc/01/34/02/879013402.db2.gz KANLOGBIUREPMK-UHFFFAOYSA-N 1 2 377.444 3.730 20 10 GHCDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000789728768 879202445 /nfs/dbraw/zinc/20/24/45/879202445.db2.gz WYRUVPCXWALQND-UHFFFAOYSA-N 1 2 391.493 3.812 20 10 GHCDLO Cc1cc(NCc2cc([N+](=O)[O-])ccc2O)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000790995955 880124738 /nfs/dbraw/zinc/12/47/38/880124738.db2.gz SSAGKSXKCWMZTQ-UHFFFAOYSA-N 1 2 384.480 3.751 20 10 GHCDLO CN1CCO[C@@H]([C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)c2ccc(Cl)cc2)C1 ZINC000790982153 880140609 /nfs/dbraw/zinc/14/06/09/880140609.db2.gz RBMNYKOKFMINCF-MJGOQNOKSA-N 1 2 399.293 4.000 20 10 GHCDLO Cc1cc(CC(=O)N2CCc3cc[nH+]c(N)c3C2)c(C)n1-c1ccc(Cl)cc1 ZINC001170260057 881275432 /nfs/dbraw/zinc/27/54/32/881275432.db2.gz YURMLSKNJNMJBI-UHFFFAOYSA-N 1 2 394.906 3.852 20 10 GHCDLO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc(Cl)c1O ZINC000806133664 884353842 /nfs/dbraw/zinc/35/38/42/884353842.db2.gz PLBGIRWYBGBKFE-YVEFUNNKSA-N 1 2 382.913 3.756 20 10 GHCDLO CC[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cccc(Cl)c1O ZINC000806164991 884420692 /nfs/dbraw/zinc/42/06/92/884420692.db2.gz GALRBUKTPZXXIP-GOSISDBHSA-N 1 2 381.925 3.744 20 10 GHCDLO CC[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(Cl)c1O ZINC000806165740 884420850 /nfs/dbraw/zinc/42/08/50/884420850.db2.gz ONADJAMXLRTNNI-HNAYVOBHSA-N 1 2 388.895 3.766 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000860468106 884705241 /nfs/dbraw/zinc/70/52/41/884705241.db2.gz QAFMADYMHWYWOH-IAGOWNOFSA-N 1 2 383.492 3.632 20 10 GHCDLO Cc1cc(CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)c(C)n1-c1ccccc1 ZINC000862108655 886115590 /nfs/dbraw/zinc/11/55/90/886115590.db2.gz GMQOPTZPGFPCBL-UHFFFAOYSA-N 1 2 390.487 3.669 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000863546698 887205193 /nfs/dbraw/zinc/20/51/93/887205193.db2.gz MYRFRTYDRKSGGT-FXPVBKGRSA-N 1 2 392.135 3.708 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2ncc(Br)s2)c1 ZINC000865849964 888609444 /nfs/dbraw/zinc/60/94/44/888609444.db2.gz STJFHXVDWUMVKN-UHFFFAOYSA-N 1 2 392.116 3.972 20 10 GHCDLO CCNC(=O)COc1cccc(C[NH2+][C@H](CC)c2cccc(Cl)c2O)c1 ZINC000287615141 913446031 /nfs/dbraw/zinc/44/60/31/913446031.db2.gz JMCMLYJBAUQBDY-GOSISDBHSA-N 1 2 376.884 3.801 20 10 GHCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000874108549 891996128 /nfs/dbraw/zinc/99/61/28/891996128.db2.gz YFBZYNGPMQOPCS-KRWDZBQOSA-N 1 2 382.430 3.880 20 10 GHCDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000876777827 893324441 /nfs/dbraw/zinc/32/44/41/893324441.db2.gz UJDRWHJJXISYEH-MRXNPFEDSA-N 1 2 389.565 3.834 20 10 GHCDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000876777827 893324459 /nfs/dbraw/zinc/32/44/59/893324459.db2.gz UJDRWHJJXISYEH-MRXNPFEDSA-N 1 2 389.565 3.834 20 10 GHCDLO CCOP(=O)(CCC[NH2+]Cc1cccc(Br)c1O)OCC ZINC000877478133 893635145 /nfs/dbraw/zinc/63/51/45/893635145.db2.gz BEJFSBKSKSYLFT-UHFFFAOYSA-N 1 2 380.219 3.901 20 10 GHCDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nc(C(=O)OC)co1 ZINC000878154603 894055434 /nfs/dbraw/zinc/05/54/34/894055434.db2.gz ZOCYRWSLGFOYAW-SNVBAGLBSA-N 1 2 383.242 3.512 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nc(C(=O)OC)co1 ZINC000878154603 894055451 /nfs/dbraw/zinc/05/54/51/894055451.db2.gz ZOCYRWSLGFOYAW-SNVBAGLBSA-N 1 2 383.242 3.512 20 10 GHCDLO C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000816498533 894878745 /nfs/dbraw/zinc/87/87/45/894878745.db2.gz YYLMXCUJSXKRDZ-UHFFFAOYSA-N 1 2 377.891 3.719 20 10 GHCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000816498533 894878757 /nfs/dbraw/zinc/87/87/57/894878757.db2.gz YYLMXCUJSXKRDZ-UHFFFAOYSA-N 1 2 377.891 3.719 20 10 GHCDLO Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC000816546851 894916760 /nfs/dbraw/zinc/91/67/60/894916760.db2.gz YNHUHHXDSPOPDA-UHFFFAOYSA-N 1 2 376.859 3.888 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(Br)cc(F)c1O ZINC000817973973 895990263 /nfs/dbraw/zinc/99/02/63/895990263.db2.gz HVKMNBQBFXYWOC-PIGZYNQJSA-N 1 2 379.273 3.831 20 10 GHCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824114267 899417565 /nfs/dbraw/zinc/41/75/65/899417565.db2.gz RIEFJQYNRWJMCR-QUCCMNQESA-N 1 2 388.533 3.537 20 10 GHCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824114267 899417571 /nfs/dbraw/zinc/41/75/71/899417571.db2.gz RIEFJQYNRWJMCR-QUCCMNQESA-N 1 2 388.533 3.537 20 10 GHCDLO CN(C)c1ccc(C[NH2+]Cc2nn(C)cc2Br)c(C(F)(F)F)c1 ZINC000824783169 899830200 /nfs/dbraw/zinc/83/02/00/899830200.db2.gz FHUVOTUELNZKNB-UHFFFAOYSA-N 1 2 391.235 3.557 20 10 GHCDLO Nc1[nH+]c(NCc2cc3ccccc3cc2O)ccc1I ZINC001171404723 904514966 /nfs/dbraw/zinc/51/49/66/904514966.db2.gz KLWYGZOVVUXHLF-UHFFFAOYSA-N 1 2 391.212 3.739 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001177323196 908525842 /nfs/dbraw/zinc/52/58/42/908525842.db2.gz GIEXEIPJJXVBOK-GFCCVEGCSA-N 1 2 392.858 3.693 20 10 GHCDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1O ZINC000092589624 911636043 /nfs/dbraw/zinc/63/60/43/911636043.db2.gz FAXCVPLTKSHZRK-UHFFFAOYSA-N 1 2 392.858 3.541 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)c1O ZINC000796600665 918791668 /nfs/dbraw/zinc/79/16/68/918791668.db2.gz DZJGXYRFSVMLBP-UHFFFAOYSA-N 1 2 380.916 3.861 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)c1O ZINC000796600665 918791676 /nfs/dbraw/zinc/79/16/76/918791676.db2.gz DZJGXYRFSVMLBP-UHFFFAOYSA-N 1 2 380.916 3.861 20 10 GHCDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(N(C)C)cc2)c(C)c1 ZINC000749840578 927305844 /nfs/dbraw/zinc/30/58/44/927305844.db2.gz CCNSUWXEXXEYJJ-QFIPXVFZSA-N 1 2 391.519 3.807 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000750039666 927400113 /nfs/dbraw/zinc/40/01/13/927400113.db2.gz CUAKOJMQMVMTCB-AWEZNQCLSA-N 1 2 396.915 3.985 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000750039666 927400118 /nfs/dbraw/zinc/40/01/18/927400118.db2.gz CUAKOJMQMVMTCB-AWEZNQCLSA-N 1 2 396.915 3.985 20 10 GHCDLO CC(C)[N@@H+]1CC[C@@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227502757 1032444114 /nfs/dbraw/zinc/44/41/14/1032444114.db2.gz KAHMUYQTHMZLHS-OAHLLOKOSA-N 1 2 381.428 3.733 20 10 GHCDLO CC(C)[N@H+]1CC[C@@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227502757 1032444118 /nfs/dbraw/zinc/44/41/18/1032444118.db2.gz KAHMUYQTHMZLHS-OAHLLOKOSA-N 1 2 381.428 3.733 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+]2Cc1c(O)cccc1Cl ZINC001140337753 1021442295 /nfs/dbraw/zinc/44/22/95/1021442295.db2.gz CLQLKBBLZNKRAD-UHFFFAOYSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@H+]2Cc1c(O)cccc1Cl ZINC001140337753 1021442302 /nfs/dbraw/zinc/44/23/02/1021442302.db2.gz CLQLKBBLZNKRAD-UHFFFAOYSA-N 1 2 396.915 3.648 20 10 GHCDLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC001204608464 1032992685 /nfs/dbraw/zinc/99/26/85/1032992685.db2.gz IBDOTTAKJNYDTF-INIZCTEOSA-N 1 2 376.859 3.969 20 10 GHCDLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC001204608464 1032992690 /nfs/dbraw/zinc/99/26/90/1032992690.db2.gz IBDOTTAKJNYDTF-INIZCTEOSA-N 1 2 376.859 3.969 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000748833920 1021724282 /nfs/dbraw/zinc/72/42/82/1021724282.db2.gz VSZCRCFAJVTYJV-OAQYLSRUSA-N 1 2 382.504 3.547 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(F)c1O ZINC000756502659 1023686703 /nfs/dbraw/zinc/68/67/03/1023686703.db2.gz KIJQHQWFJSTMBU-PSLIRLAXSA-N 1 2 377.309 3.953 20 10 GHCDLO Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(Br)c2O)[nH]n1 ZINC000756586662 1023723866 /nfs/dbraw/zinc/72/38/66/1023723866.db2.gz UXNRJIJSIRANAR-MRVPVSSYSA-N 1 2 389.091 3.800 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)cc(F)c1O ZINC000756660441 1023760139 /nfs/dbraw/zinc/76/01/39/1023760139.db2.gz XIWSPWLIIYGZMV-FZMZJTMJSA-N 1 2 399.304 3.736 20 10 GHCDLO C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cc(F)cc(F)c1O ZINC000756703923 1023781099 /nfs/dbraw/zinc/78/10/99/1023781099.db2.gz KQDDBEXXXMABHF-SNVBAGLBSA-N 1 2 399.235 3.514 20 10 GHCDLO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756739886 1023794772 /nfs/dbraw/zinc/79/47/72/1023794772.db2.gz ZYMSSBSATOIFNO-LLVKDONJSA-N 1 2 399.260 3.666 20 10 GHCDLO COCC1([NH2+][C@@H](C)c2cc(Br)cc(Br)c2O)CC1 ZINC000756849986 1023833827 /nfs/dbraw/zinc/83/38/27/1023833827.db2.gz IDSQMTDKEALJSX-QMMMGPOBSA-N 1 2 379.092 3.747 20 10 GHCDLO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139134003 1025945934 /nfs/dbraw/zinc/94/59/34/1025945934.db2.gz VOPGJRFYXWYDBE-OAHLLOKOSA-N 1 2 395.455 3.596 20 10 GHCDLO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139134003 1025945937 /nfs/dbraw/zinc/94/59/37/1025945937.db2.gz VOPGJRFYXWYDBE-OAHLLOKOSA-N 1 2 395.455 3.596 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]2COc1cccnc1 ZINC001203656106 1027512420 /nfs/dbraw/zinc/51/24/20/1027512420.db2.gz HXGMOZPREJQJFP-MRXNPFEDSA-N 1 2 398.894 3.835 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]2COc1cccnc1 ZINC001203656106 1027512432 /nfs/dbraw/zinc/51/24/32/1027512432.db2.gz HXGMOZPREJQJFP-MRXNPFEDSA-N 1 2 398.894 3.835 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCC1(F)F ZINC001203664689 1027515764 /nfs/dbraw/zinc/51/57/64/1027515764.db2.gz QADYFFJFFHOFNF-AWEZNQCLSA-N 1 2 376.831 3.780 20 10 GHCDLO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000840979091 1028019458 /nfs/dbraw/zinc/01/94/58/1028019458.db2.gz RISVYJQFUJIOGB-VHSXEESVSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000840979091 1028019474 /nfs/dbraw/zinc/01/94/74/1028019474.db2.gz RISVYJQFUJIOGB-VHSXEESVSA-N 1 2 393.119 3.510 20 10 GHCDLO Nc1ccc(NC(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000841299214 1028389467 /nfs/dbraw/zinc/38/94/67/1028389467.db2.gz WXMKBEXEIZMCCI-UHFFFAOYSA-N 1 2 393.318 3.968 20 10 GHCDLO OC[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)C[C@H]1c1ccccc1 ZINC001461540358 1069599464 /nfs/dbraw/zinc/59/94/64/1069599464.db2.gz OPNFGFHAHVHGFU-YJBOKZPZSA-N 1 2 380.257 3.550 20 10 GHCDLO Cc1ccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c(F)c1F ZINC001217056826 1030130162 /nfs/dbraw/zinc/13/01/62/1030130162.db2.gz RXNHXTUKMWWUPA-UHFFFAOYSA-N 1 2 387.386 3.528 20 10 GHCDLO Oc1ccc(-c2nc(-c3cc(F)ccc3Cl)no2)cc1C[NH+]1CCOCC1 ZINC001217056673 1030130275 /nfs/dbraw/zinc/13/02/75/1030130275.db2.gz PFOLCSOQTYCLNV-UHFFFAOYSA-N 1 2 389.814 3.734 20 10 GHCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1ccc(F)cc1F ZINC001461656918 1069662623 /nfs/dbraw/zinc/66/26/23/1069662623.db2.gz CMQRQUWDEDOHIK-CQSZACIVSA-N 1 2 392.627 3.910 20 10 GHCDLO COc1ccc(C[NH2+]Cc2nnc([C@H]3C[C@@H]3c3ccc(Cl)cc3)o2)c(O)c1 ZINC001217717513 1030626008 /nfs/dbraw/zinc/62/60/08/1030626008.db2.gz CXCIIVJTDBUXCY-SJORKVTESA-N 1 2 385.851 3.998 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001461730250 1069707494 /nfs/dbraw/zinc/70/74/94/1069707494.db2.gz GECKIWQZFPQXMU-KDYLLFBJSA-N 1 2 382.685 3.948 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387412 1033481812 /nfs/dbraw/zinc/48/18/12/1033481812.db2.gz INWITIKPUQNQDI-HXUWFJFHSA-N 1 2 380.891 3.799 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387412 1033481820 /nfs/dbraw/zinc/48/18/20/1033481820.db2.gz INWITIKPUQNQDI-HXUWFJFHSA-N 1 2 380.891 3.799 20 10 GHCDLO Cc1cc(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)n(C)n1 ZINC001205941415 1033645782 /nfs/dbraw/zinc/64/57/82/1033645782.db2.gz ZFBIRYCIDCJWKJ-UHFFFAOYSA-N 1 2 387.487 3.859 20 10 GHCDLO O=C([O-])c1ccc(O)c(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c1 ZINC001231562968 1034712869 /nfs/dbraw/zinc/71/28/69/1034712869.db2.gz CDNXXHYIGCNHLE-UHFFFAOYSA-N 1 2 389.411 3.598 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)cc1Cl ZINC001231868350 1034954692 /nfs/dbraw/zinc/95/46/92/1034954692.db2.gz ANMOBQWOCBWFBE-UHFFFAOYSA-N 1 2 385.851 3.874 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)cc1Cl ZINC001231868350 1034954699 /nfs/dbraw/zinc/95/46/99/1034954699.db2.gz ANMOBQWOCBWFBE-UHFFFAOYSA-N 1 2 385.851 3.874 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001231911114 1034985550 /nfs/dbraw/zinc/98/55/50/1034985550.db2.gz BTCGXILBXXNTAV-GHTZIAJQSA-N 1 2 395.927 3.612 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001231911114 1034985555 /nfs/dbraw/zinc/98/55/55/1034985555.db2.gz BTCGXILBXXNTAV-GHTZIAJQSA-N 1 2 395.927 3.612 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001231911192 1034985986 /nfs/dbraw/zinc/98/59/86/1034985986.db2.gz FQDQBFOSDVBYQD-GOSISDBHSA-N 1 2 394.853 3.573 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001231911192 1034985992 /nfs/dbraw/zinc/98/59/92/1034985992.db2.gz FQDQBFOSDVBYQD-GOSISDBHSA-N 1 2 394.853 3.573 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001231910905 1034986013 /nfs/dbraw/zinc/98/60/13/1034986013.db2.gz ZAECASOSYKAAOH-DFQSSKMNSA-N 1 2 388.895 3.779 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001231910905 1034986017 /nfs/dbraw/zinc/98/60/17/1034986017.db2.gz ZAECASOSYKAAOH-DFQSSKMNSA-N 1 2 388.895 3.779 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001231911654 1034986600 /nfs/dbraw/zinc/98/66/00/1034986600.db2.gz OKDGPHSYIAQHEE-FBBABVLZSA-N 1 2 388.895 3.637 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001231911654 1034986605 /nfs/dbraw/zinc/98/66/05/1034986605.db2.gz OKDGPHSYIAQHEE-FBBABVLZSA-N 1 2 388.895 3.637 20 10 GHCDLO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231912374 1034986813 /nfs/dbraw/zinc/98/68/13/1034986813.db2.gz ZPOPGNIMJBJEEO-JOCHJYFZSA-N 1 2 382.891 3.946 20 10 GHCDLO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231912374 1034986814 /nfs/dbraw/zinc/98/68/14/1034986814.db2.gz ZPOPGNIMJBJEEO-JOCHJYFZSA-N 1 2 382.891 3.946 20 10 GHCDLO Cc1cc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)cnc1F ZINC001231929024 1034995858 /nfs/dbraw/zinc/99/58/58/1034995858.db2.gz VOIXOZVRHBPBSG-UHFFFAOYSA-N 1 2 392.478 3.825 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CCOCCOCc2ccccc2)C1 ZINC001208752822 1034999132 /nfs/dbraw/zinc/99/91/32/1034999132.db2.gz YBNUGHGPQVBQBO-UHFFFAOYSA-N 1 2 394.515 3.778 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](CCOCCOCc2ccccc2)C1 ZINC001208752822 1034999140 /nfs/dbraw/zinc/99/91/40/1034999140.db2.gz YBNUGHGPQVBQBO-UHFFFAOYSA-N 1 2 394.515 3.778 20 10 GHCDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1ncc(C(=O)OC)s1 ZINC001461945899 1069907805 /nfs/dbraw/zinc/90/78/05/1069907805.db2.gz ZHYOWPSHXKWMBV-JTQLQIEISA-N 1 2 399.310 3.981 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1ncc(C(=O)OC)s1 ZINC001461945899 1069907811 /nfs/dbraw/zinc/90/78/11/1069907811.db2.gz ZHYOWPSHXKWMBV-JTQLQIEISA-N 1 2 399.310 3.981 20 10 GHCDLO COc1cc(O)c(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)cc1Cl ZINC001232269093 1037991354 /nfs/dbraw/zinc/99/13/54/1037991354.db2.gz QOZHCLJRHHGQPJ-UHFFFAOYSA-N 1 2 382.838 3.650 20 10 GHCDLO Oc1cc(Br)cc(F)c1CN1CC[NH+](CCc2cccs2)CC1 ZINC001233030884 1038783351 /nfs/dbraw/zinc/78/33/51/1038783351.db2.gz QSVBZEKXRPCUER-UHFFFAOYSA-N 1 2 399.329 3.716 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001233030941 1038783821 /nfs/dbraw/zinc/78/38/21/1038783821.db2.gz TUHFLJRNCHZLIE-UHFFFAOYSA-N 1 2 392.272 3.562 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001233030941 1038783840 /nfs/dbraw/zinc/78/38/40/1038783840.db2.gz TUHFLJRNCHZLIE-UHFFFAOYSA-N 1 2 392.272 3.562 20 10 GHCDLO Oc1cc(Br)cc(F)c1CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001233032031 1038786293 /nfs/dbraw/zinc/78/62/93/1038786293.db2.gz SNBNLGBPDSAHNU-UHFFFAOYSA-N 1 2 391.284 3.612 20 10 GHCDLO Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233075286 1038840001 /nfs/dbraw/zinc/84/00/01/1038840001.db2.gz VESBPCSNADWECH-UHFFFAOYSA-N 1 2 391.462 3.906 20 10 GHCDLO Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233075286 1038840023 /nfs/dbraw/zinc/84/00/23/1038840023.db2.gz VESBPCSNADWECH-UHFFFAOYSA-N 1 2 391.462 3.906 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1Br ZINC001233140152 1038919448 /nfs/dbraw/zinc/91/94/48/1038919448.db2.gz XPFXDKLJHHMTLW-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1Br ZINC001233140152 1038919457 /nfs/dbraw/zinc/91/94/57/1038919457.db2.gz XPFXDKLJHHMTLW-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3c(F)cc(C)cc3F)CC2)cc1 ZINC001235199751 1040687658 /nfs/dbraw/zinc/68/76/58/1040687658.db2.gz WCLOFUAMQWAOKB-UHFFFAOYSA-N 1 2 376.447 3.621 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001235296601 1040769616 /nfs/dbraw/zinc/76/96/16/1040769616.db2.gz LODYHXSWLDBSNG-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001235296601 1040769638 /nfs/dbraw/zinc/76/96/38/1040769638.db2.gz LODYHXSWLDBSNG-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c1 ZINC001236664427 1041812495 /nfs/dbraw/zinc/81/24/95/1041812495.db2.gz UQOOLUMSEPTSBB-UHFFFAOYSA-N 1 2 376.250 3.750 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCc3cc4c(cc3C2)OCO4)c1 ZINC001236664427 1041812499 /nfs/dbraw/zinc/81/24/99/1041812499.db2.gz UQOOLUMSEPTSBB-UHFFFAOYSA-N 1 2 376.250 3.750 20 10 GHCDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)c(Br)cc1O)C2 ZINC001236744390 1041869906 /nfs/dbraw/zinc/86/99/06/1041869906.db2.gz BARLQKPVAGUYGH-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(OC)c(Br)cc1O)C2 ZINC001236744390 1041869917 /nfs/dbraw/zinc/86/99/17/1041869917.db2.gz BARLQKPVAGUYGH-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO CN(CC1C[NH+](Cc2cc(Cl)c(Cl)cc2O)C1)C(=O)OC(C)(C)C ZINC001236794951 1041899161 /nfs/dbraw/zinc/89/91/61/1041899161.db2.gz XPBQKUCNKALWGW-UHFFFAOYSA-N 1 2 375.296 3.998 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(O)c1Cl ZINC001236808295 1041909112 /nfs/dbraw/zinc/90/91/12/1041909112.db2.gz WWMBTYXHXVMIQC-FVCICTRLSA-N 1 2 396.915 3.789 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(O)c1Cl ZINC001236808295 1041909114 /nfs/dbraw/zinc/90/91/14/1041909114.db2.gz WWMBTYXHXVMIQC-FVCICTRLSA-N 1 2 396.915 3.789 20 10 GHCDLO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001236918348 1041957805 /nfs/dbraw/zinc/95/78/05/1041957805.db2.gz GCMJIHSSGZFRFD-NRFANRHFSA-N 1 2 386.923 3.620 20 10 GHCDLO Clc1cc(N2CCOCC2)ccc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001236918348 1041957808 /nfs/dbraw/zinc/95/78/08/1041957808.db2.gz GCMJIHSSGZFRFD-NRFANRHFSA-N 1 2 386.923 3.620 20 10 GHCDLO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278043679 1041998280 /nfs/dbraw/zinc/99/82/80/1041998280.db2.gz MWXUWWGQRBFNBJ-XIKOKIGWSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278043679 1041998282 /nfs/dbraw/zinc/99/82/82/1041998282.db2.gz MWXUWWGQRBFNBJ-XIKOKIGWSA-N 1 2 399.304 3.517 20 10 GHCDLO COc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1I ZINC001237073355 1042022319 /nfs/dbraw/zinc/02/23/19/1042022319.db2.gz ADNYEOJHFIFQQE-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO COc1cc(C[N@H+]2CCc3cccc(O)c3C2)ccc1I ZINC001237073355 1042022322 /nfs/dbraw/zinc/02/23/22/1042022322.db2.gz ADNYEOJHFIFQQE-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO CC(C)(C)OC(=O)NCC1(C)C[NH+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237114954 1042046693 /nfs/dbraw/zinc/04/66/93/1042046693.db2.gz PUYDYZVBFORJJU-UHFFFAOYSA-N 1 2 390.402 3.637 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)c(OC)c1 ZINC001237357921 1042167524 /nfs/dbraw/zinc/16/75/24/1042167524.db2.gz GBLBMQYICRVDQF-UHFFFAOYSA-N 1 2 396.409 3.767 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001237621212 1042288331 /nfs/dbraw/zinc/28/83/31/1042288331.db2.gz XFKDYGBPXREBDL-UHFFFAOYSA-N 1 2 379.741 3.966 20 10 GHCDLO Cc1ncc(C[N@@H+](C)Cc2cc(Br)cc(C(F)(F)F)c2O)cn1 ZINC001237793227 1042373469 /nfs/dbraw/zinc/37/34/69/1042373469.db2.gz WQJKLJKQTFCGHX-UHFFFAOYSA-N 1 2 390.203 3.904 20 10 GHCDLO Cc1ncc(C[N@H+](C)Cc2cc(Br)cc(C(F)(F)F)c2O)cn1 ZINC001237793227 1042373470 /nfs/dbraw/zinc/37/34/70/1042373470.db2.gz WQJKLJKQTFCGHX-UHFFFAOYSA-N 1 2 390.203 3.904 20 10 GHCDLO CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001462667378 1070457683 /nfs/dbraw/zinc/45/76/83/1070457683.db2.gz NQQCNMDUFOLMTQ-GFCCVEGCSA-N 1 2 391.493 3.912 20 10 GHCDLO CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001462667378 1070457686 /nfs/dbraw/zinc/45/76/86/1070457686.db2.gz NQQCNMDUFOLMTQ-GFCCVEGCSA-N 1 2 391.493 3.912 20 10 GHCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258673383 1044705633 /nfs/dbraw/zinc/70/56/33/1044705633.db2.gz RHMSTMKHVGMSJY-ZBEGNZNMSA-N 1 2 398.286 3.710 20 10 GHCDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1O ZINC001279663823 1047903651 /nfs/dbraw/zinc/90/36/51/1047903651.db2.gz GLYBUUWSIYAHIJ-BETUJISGSA-N 1 2 384.332 3.923 20 10 GHCDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1O ZINC001279663823 1047903659 /nfs/dbraw/zinc/90/36/59/1047903659.db2.gz GLYBUUWSIYAHIJ-BETUJISGSA-N 1 2 384.332 3.923 20 10 GHCDLO C[C@H]1COCC[N@@H+]1CCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC001307295527 1049186709 /nfs/dbraw/zinc/18/67/09/1049186709.db2.gz ZARKSAKBLDGZNV-AWEZNQCLSA-N 1 2 385.455 3.925 20 10 GHCDLO C[C@H]1COCC[N@H+]1CCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC001307295527 1049186710 /nfs/dbraw/zinc/18/67/10/1049186710.db2.gz ZARKSAKBLDGZNV-AWEZNQCLSA-N 1 2 385.455 3.925 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(=O)Nc1ccccc1 ZINC001308262422 1049930103 /nfs/dbraw/zinc/93/01/03/1049930103.db2.gz VKAHLTPFCREPKA-SNVBAGLBSA-N 1 2 383.673 3.925 20 10 GHCDLO COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)CCO2 ZINC001308366755 1049959700 /nfs/dbraw/zinc/95/97/00/1049959700.db2.gz RNFVLOCQTZKLNM-OAHLLOKOSA-N 1 2 382.229 3.916 20 10 GHCDLO Cc1cc(C[NH2+]Cc2cc(Br)cc(Br)c2O)ccn1 ZINC001308412304 1049970300 /nfs/dbraw/zinc/97/03/00/1049970300.db2.gz XKJIDCWJHJNXLY-UHFFFAOYSA-N 1 2 386.087 3.910 20 10 GHCDLO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001308748754 1050080023 /nfs/dbraw/zinc/08/00/23/1050080023.db2.gz MIFFMNDKZIVDCC-MRXNPFEDSA-N 1 2 383.483 3.864 20 10 GHCDLO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001308748754 1050080027 /nfs/dbraw/zinc/08/00/27/1050080027.db2.gz MIFFMNDKZIVDCC-MRXNPFEDSA-N 1 2 383.483 3.864 20 10 GHCDLO CNc1cc(CNC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc[nH+]1 ZINC001346607529 1061726691 /nfs/dbraw/zinc/72/66/91/1061726691.db2.gz UNZLSXLESBJANG-UHFFFAOYSA-N 1 2 393.491 3.694 20 10 GHCDLO Cc1c[nH+]c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)ccn12 ZINC000847407886 1065236134 /nfs/dbraw/zinc/23/61/34/1065236134.db2.gz OVHOQHAMGYMEQO-NRFANRHFSA-N 1 2 392.503 3.530 20 10 GHCDLO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001474143929 1074276058 /nfs/dbraw/zinc/27/60/58/1074276058.db2.gz VQTYVCNWJDVVSL-KRWDZBQOSA-N 1 2 397.288 3.695 20 10 GHCDLO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)nc1C ZINC001474687077 1074515059 /nfs/dbraw/zinc/51/50/59/1074515059.db2.gz CJWUIVIPXXGFQS-GFCCVEGCSA-N 1 2 382.432 3.602 20 10 GHCDLO CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nc1C ZINC001474687077 1074515067 /nfs/dbraw/zinc/51/50/67/1074515067.db2.gz CJWUIVIPXXGFQS-GFCCVEGCSA-N 1 2 382.432 3.602 20 10 GHCDLO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177036246 835549979 /nfs/dbraw/zinc/54/99/79/835549979.db2.gz BKXLXQJDHONCIS-UHFFFAOYSA-N 1 2 380.916 3.719 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2C)cc1 ZINC000728541450 849008799 /nfs/dbraw/zinc/00/87/99/849008799.db2.gz HACDKVUTEVQZBA-IBGZPJMESA-N 1 2 378.476 3.777 20 10 GHCDLO C[S@](=O)C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccccc1 ZINC000894424445 851286578 /nfs/dbraw/zinc/28/65/78/851286578.db2.gz GFCVGTNEVTZXLX-QRQCRPRQSA-N 1 2 386.286 3.503 20 10 GHCDLO O=C(NCc1ccccc1O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732457921 862300181 /nfs/dbraw/zinc/30/01/81/862300181.db2.gz CFBKLLOAJNCRTL-QGZVFWFLSA-N 1 2 391.874 3.649 20 10 GHCDLO O=C(NCc1ccccc1O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732457921 862300197 /nfs/dbraw/zinc/30/01/97/862300197.db2.gz CFBKLLOAJNCRTL-QGZVFWFLSA-N 1 2 391.874 3.649 20 10 GHCDLO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000760886741 856232747 /nfs/dbraw/zinc/23/27/47/856232747.db2.gz ODYFAJDLOASKFP-OWYVNGRQSA-N 1 2 378.694 3.653 20 10 GHCDLO O=C(NCCCSc1nccs1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000733879074 863226972 /nfs/dbraw/zinc/22/69/72/863226972.db2.gz HRWUYWSMIYMCKT-MRXNPFEDSA-N 1 2 393.603 3.532 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000792787988 881665698 /nfs/dbraw/zinc/66/56/98/881665698.db2.gz LXZWJXPBAFZSNT-LJQANCHMSA-N 1 2 391.437 3.835 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000792787988 881665699 /nfs/dbraw/zinc/66/56/99/881665699.db2.gz LXZWJXPBAFZSNT-LJQANCHMSA-N 1 2 391.437 3.835 20 10 GHCDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000184031883 863921176 /nfs/dbraw/zinc/92/11/76/863921176.db2.gz FVIYDUQBYLBPKN-GOSISDBHSA-N 1 2 398.576 3.937 20 10 GHCDLO O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000738270018 865510983 /nfs/dbraw/zinc/51/09/83/865510983.db2.gz IFDIWVWJIIEGEI-LJQANCHMSA-N 1 2 394.515 3.779 20 10 GHCDLO O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000738270018 865510985 /nfs/dbraw/zinc/51/09/85/865510985.db2.gz IFDIWVWJIIEGEI-LJQANCHMSA-N 1 2 394.515 3.779 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)cc1OC ZINC000793253672 882046630 /nfs/dbraw/zinc/04/66/30/882046630.db2.gz FEFLNTCWOUPIMC-GOSISDBHSA-N 1 2 385.460 3.507 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)cc1OC ZINC000793253672 882046639 /nfs/dbraw/zinc/04/66/39/882046639.db2.gz FEFLNTCWOUPIMC-GOSISDBHSA-N 1 2 385.460 3.507 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1OC ZINC000793253674 882047368 /nfs/dbraw/zinc/04/73/68/882047368.db2.gz FEFLNTCWOUPIMC-SFHVURJKSA-N 1 2 385.460 3.507 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1OC ZINC000793253674 882047389 /nfs/dbraw/zinc/04/73/89/882047389.db2.gz FEFLNTCWOUPIMC-SFHVURJKSA-N 1 2 385.460 3.507 20 10 GHCDLO COc1cc(N2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)cc(OC)c1OC ZINC000183698362 867290559 /nfs/dbraw/zinc/29/05/59/867290559.db2.gz ZPKFSEQDNLRSCO-HNNXBMFYSA-N 1 2 397.475 3.737 20 10 GHCDLO Cc1cc(C(=O)CN2CC[NH+](CCOC(C)C)CC2)c(C)n1-c1ccccc1C ZINC000746494528 873096745 /nfs/dbraw/zinc/09/67/45/873096745.db2.gz IQOBOSMCYVNSJM-UHFFFAOYSA-N 1 2 397.563 3.628 20 10 GHCDLO CC(=O)c1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000771059042 875015720 /nfs/dbraw/zinc/01/57/20/875015720.db2.gz PFBARSSBMNVVER-IBGZPJMESA-N 1 2 386.879 3.643 20 10 GHCDLO CC(=O)c1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000771059042 875015734 /nfs/dbraw/zinc/01/57/34/875015734.db2.gz PFBARSSBMNVVER-IBGZPJMESA-N 1 2 386.879 3.643 20 10 GHCDLO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000786581934 876770127 /nfs/dbraw/zinc/77/01/27/876770127.db2.gz JQQSXPSAYHZZTJ-DOMZBBRYSA-N 1 2 382.273 3.856 20 10 GHCDLO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000786581940 876770328 /nfs/dbraw/zinc/77/03/28/876770328.db2.gz JQQSXPSAYHZZTJ-SWLSCSKDSA-N 1 2 382.273 3.856 20 10 GHCDLO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000786584494 876772763 /nfs/dbraw/zinc/77/27/63/876772763.db2.gz UGGTXPUTRQTCHU-DOMZBBRYSA-N 1 2 382.273 3.856 20 10 GHCDLO COc1cc(Br)cc(C[N@H+](C)Cc2nc3ccccc3n2C)c1O ZINC000093363903 912223271 /nfs/dbraw/zinc/22/32/71/912223271.db2.gz TVENDUYVOQBCLJ-UHFFFAOYSA-N 1 2 390.281 3.682 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+](C)Cc2nc3ccccc3n2C)c1O ZINC000093363903 912223289 /nfs/dbraw/zinc/22/32/89/912223289.db2.gz TVENDUYVOQBCLJ-UHFFFAOYSA-N 1 2 390.281 3.682 20 10 GHCDLO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179932134 878214453 /nfs/dbraw/zinc/21/44/53/878214453.db2.gz DBNNBETWQHCESC-UHFFFAOYSA-N 1 2 382.357 3.508 20 10 GHCDLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232721 878957436 /nfs/dbraw/zinc/95/74/36/878957436.db2.gz GBBWERCFKLTIPR-UHFFFAOYSA-N 1 2 384.398 3.787 20 10 GHCDLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232721 878957444 /nfs/dbraw/zinc/95/74/44/878957444.db2.gz GBBWERCFKLTIPR-UHFFFAOYSA-N 1 2 384.398 3.787 20 10 GHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NCc1cc(F)cc(F)c1 ZINC000111232865 878957791 /nfs/dbraw/zinc/95/77/91/878957791.db2.gz RCEORSOMRHEQHH-UHFFFAOYSA-N 1 2 386.398 3.582 20 10 GHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NCc1cc(F)cc(F)c1 ZINC000111232865 878957797 /nfs/dbraw/zinc/95/77/97/878957797.db2.gz RCEORSOMRHEQHH-UHFFFAOYSA-N 1 2 386.398 3.582 20 10 GHCDLO Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1cccc(Cl)c1O ZINC001183580651 912662438 /nfs/dbraw/zinc/66/24/38/912662438.db2.gz AQRXMILOMHYMBN-UHFFFAOYSA-N 1 2 383.673 3.845 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000858933985 883473888 /nfs/dbraw/zinc/47/38/88/883473888.db2.gz UXKOVGUCTUGZSL-UHFFFAOYSA-N 1 2 376.460 3.580 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000859181550 883642839 /nfs/dbraw/zinc/64/28/39/883642839.db2.gz OXQJUZONZSKBMI-QFIPXVFZSA-N 1 2 390.487 3.509 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000805801611 884117048 /nfs/dbraw/zinc/11/70/48/884117048.db2.gz MCAPYRMGXGYDLC-ZBEGNZNMSA-N 1 2 382.888 3.736 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000805801611 884117054 /nfs/dbraw/zinc/11/70/54/884117054.db2.gz MCAPYRMGXGYDLC-ZBEGNZNMSA-N 1 2 382.888 3.736 20 10 GHCDLO CCOC(=O)c1ccc(N2CC([NH2+][C@H](CC)c3cccc(Cl)c3O)C2)nc1 ZINC000806157028 884412974 /nfs/dbraw/zinc/41/29/74/884412974.db2.gz AHYDIKAXJOGGMP-QGZVFWFLSA-N 1 2 389.883 3.547 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000747464934 886098884 /nfs/dbraw/zinc/09/88/84/886098884.db2.gz DAVLGSJRGTXWHV-HXUWFJFHSA-N 1 2 383.444 3.834 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000747464934 886098896 /nfs/dbraw/zinc/09/88/96/886098896.db2.gz DAVLGSJRGTXWHV-HXUWFJFHSA-N 1 2 383.444 3.834 20 10 GHCDLO Cc1ccc([C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000862353074 886312006 /nfs/dbraw/zinc/31/20/06/886312006.db2.gz SMKKAFTWDPXKIB-XOBRGWDASA-N 1 2 396.503 3.603 20 10 GHCDLO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1cc(Br)cc(Cl)c1O ZINC000808728898 886744504 /nfs/dbraw/zinc/74/45/04/886744504.db2.gz HEQKTXUQLBHGBR-PIAMENMFSA-N 1 2 398.684 3.953 20 10 GHCDLO Cc1cc(O)c(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cc1C ZINC000119722623 887479758 /nfs/dbraw/zinc/47/97/58/887479758.db2.gz ABOVBEYKDCFFCK-UHFFFAOYSA-N 1 2 387.281 3.846 20 10 GHCDLO Cc1cc(O)c(C[NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)cc1C ZINC000119722623 887479764 /nfs/dbraw/zinc/47/97/64/887479764.db2.gz ABOVBEYKDCFFCK-UHFFFAOYSA-N 1 2 387.281 3.846 20 10 GHCDLO C[C@](CO)([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Br)cc1 ZINC000809695554 887669788 /nfs/dbraw/zinc/66/97/88/887669788.db2.gz OMIJBRXNYYZWFR-MRXNPFEDSA-N 1 2 388.664 3.945 20 10 GHCDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000876687919 893288972 /nfs/dbraw/zinc/28/89/72/893288972.db2.gz DYQOICHOPRITLD-JOCHJYFZSA-N 1 2 386.923 3.875 20 10 GHCDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000876687919 893288992 /nfs/dbraw/zinc/28/89/92/893288992.db2.gz DYQOICHOPRITLD-JOCHJYFZSA-N 1 2 386.923 3.875 20 10 GHCDLO C[C@H]([NH2+]C1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCOCC1)c1ccccc1 ZINC000877047042 893456713 /nfs/dbraw/zinc/45/67/13/893456713.db2.gz SZYGVINWCZEYLE-HNNXBMFYSA-N 1 2 376.447 3.660 20 10 GHCDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000748051410 894605081 /nfs/dbraw/zinc/60/50/81/894605081.db2.gz UYCZMLIUHFIMHV-UHFFFAOYSA-N 1 2 392.858 3.526 20 10 GHCDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000748051410 894605088 /nfs/dbraw/zinc/60/50/88/894605088.db2.gz UYCZMLIUHFIMHV-UHFFFAOYSA-N 1 2 392.858 3.526 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(Br)cc(Br)c1[O-] ZINC000817950092 895975409 /nfs/dbraw/zinc/97/54/09/895975409.db2.gz RREYQOFUFFJMSW-MWLCHTKSSA-N 1 2 392.135 3.710 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000883070630 897251005 /nfs/dbraw/zinc/25/10/05/897251005.db2.gz XPPNHZRXVIVGCB-ZDUSSCGKSA-N 1 2 390.318 3.828 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000883136766 897313147 /nfs/dbraw/zinc/31/31/47/897313147.db2.gz NDNCEPTVDKNJPG-CZUORRHYSA-N 1 2 381.245 3.699 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(Br)c3O)[C@@H]2C1 ZINC000822507504 898442753 /nfs/dbraw/zinc/44/27/53/898442753.db2.gz FGRHRYXAURHGTQ-IUODEOHRSA-N 1 2 397.313 3.596 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(Br)c3O)[C@@H]2C1 ZINC000822507504 898442760 /nfs/dbraw/zinc/44/27/60/898442760.db2.gz FGRHRYXAURHGTQ-IUODEOHRSA-N 1 2 397.313 3.596 20 10 GHCDLO CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C[C@@H]1C ZINC000824815708 899823351 /nfs/dbraw/zinc/82/33/51/899823351.db2.gz XDAJBUWHJYRDNZ-ZANVPECISA-N 1 2 393.119 3.774 20 10 GHCDLO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C[C@@H]1C ZINC000824815708 899823346 /nfs/dbraw/zinc/82/33/46/899823346.db2.gz XDAJBUWHJYRDNZ-ZANVPECISA-N 1 2 393.119 3.774 20 10 GHCDLO Cc1cccc(N2CCC[N@H+](Cc3cc(Br)c(F)cc3O)CC2)n1 ZINC001144306577 901685934 /nfs/dbraw/zinc/68/59/34/901685934.db2.gz HQLXMZIZPLRSEC-UHFFFAOYSA-N 1 2 394.288 3.710 20 10 GHCDLO COc1cc(OC)cc([C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)c2nccn2C)c1 ZINC000846139346 902747348 /nfs/dbraw/zinc/74/73/48/902747348.db2.gz RNDRITUYNIHIDB-XOBRGWDASA-N 1 2 397.475 3.592 20 10 GHCDLO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001146247688 903476269 /nfs/dbraw/zinc/47/62/69/903476269.db2.gz PAWFPTZEYJLZBE-SFHVURJKSA-N 1 2 376.859 3.856 20 10 GHCDLO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001146247688 903476276 /nfs/dbraw/zinc/47/62/76/903476276.db2.gz PAWFPTZEYJLZBE-SFHVURJKSA-N 1 2 376.859 3.856 20 10 GHCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173683627 906624142 /nfs/dbraw/zinc/62/41/42/906624142.db2.gz CXVSGSBBCGRUEV-WLBKGHODSA-N 1 2 395.499 3.598 20 10 GHCDLO COc1cc(OC)cc([C@@H]([NH2+][C@H](C)c2ccc(F)cc2O)c2nccn2C)c1 ZINC000184960314 907687986 /nfs/dbraw/zinc/68/79/86/907687986.db2.gz JJWDXNLZGPIECM-ZUOKHONESA-N 1 2 385.439 3.722 20 10 GHCDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000779611503 907885161 /nfs/dbraw/zinc/88/51/61/907885161.db2.gz JQTZDFRLCXYIDS-NRFANRHFSA-N 1 2 377.488 3.827 20 10 GHCDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccccc1O ZINC000779611503 907885174 /nfs/dbraw/zinc/88/51/74/907885174.db2.gz JQTZDFRLCXYIDS-NRFANRHFSA-N 1 2 377.488 3.827 20 10 GHCDLO C[C@H](c1nnc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000195507176 909005934 /nfs/dbraw/zinc/00/59/34/909005934.db2.gz HQZLROACGPJDEY-SECBINFHSA-N 1 2 394.457 3.545 20 10 GHCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@H](O)COc1ccccc1C(F)(F)F ZINC001179966351 909872945 /nfs/dbraw/zinc/87/29/45/909872945.db2.gz KMQMFTZJGJADKZ-LBPRGKRZSA-N 1 2 391.336 3.561 20 10 GHCDLO C[N@H+](Cc1ccc(F)c(F)c1O)C[C@H](O)COc1ccccc1C(F)(F)F ZINC001179966351 909872960 /nfs/dbraw/zinc/87/29/60/909872960.db2.gz KMQMFTZJGJADKZ-LBPRGKRZSA-N 1 2 391.336 3.561 20 10 GHCDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001180882480 910414034 /nfs/dbraw/zinc/41/40/34/910414034.db2.gz BKGLMFMXYIHJJE-OAQYLSRUSA-N 1 2 375.415 3.811 20 10 GHCDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001180882480 910414039 /nfs/dbraw/zinc/41/40/39/910414039.db2.gz BKGLMFMXYIHJJE-OAQYLSRUSA-N 1 2 375.415 3.811 20 10 GHCDLO CCCOc1ccc(C[N@H+](C)Cc2nc([C@H](C)OCC(C)C)no2)c(O)c1 ZINC000271185837 910808574 /nfs/dbraw/zinc/80/85/74/910808574.db2.gz DNDLDRUFACMYMN-HNNXBMFYSA-N 1 2 377.485 3.930 20 10 GHCDLO CCCOc1ccc(C[N@@H+](C)Cc2nc([C@H](C)OCC(C)C)no2)c(O)c1 ZINC000271185837 910808579 /nfs/dbraw/zinc/80/85/79/910808579.db2.gz DNDLDRUFACMYMN-HNNXBMFYSA-N 1 2 377.485 3.930 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000008307584 921685598 /nfs/dbraw/zinc/68/55/98/921685598.db2.gz OEBLPVOEVFDSCB-UHFFFAOYSA-N 1 2 396.560 3.952 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000008307584 921685606 /nfs/dbraw/zinc/68/56/06/921685606.db2.gz OEBLPVOEVFDSCB-UHFFFAOYSA-N 1 2 396.560 3.952 20 10 GHCDLO COc1ccc(NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1OC ZINC000096970813 915312967 /nfs/dbraw/zinc/31/29/67/915312967.db2.gz UXWFTLSVSBLOTK-UHFFFAOYSA-N 1 2 396.443 3.643 20 10 GHCDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1OC ZINC000096970813 915312987 /nfs/dbraw/zinc/31/29/87/915312987.db2.gz UXWFTLSVSBLOTK-UHFFFAOYSA-N 1 2 396.443 3.643 20 10 GHCDLO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000775153021 915627229 /nfs/dbraw/zinc/62/72/29/915627229.db2.gz QNZZOAXXVQPRIL-NEPJUHHUSA-N 1 2 392.240 3.611 20 10 GHCDLO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000775153022 915627318 /nfs/dbraw/zinc/62/73/18/915627318.db2.gz QNZZOAXXVQPRIL-NWDGAFQWSA-N 1 2 392.240 3.611 20 10 GHCDLO C[C@H]1CCC[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001190590336 917433943 /nfs/dbraw/zinc/43/39/43/917433943.db2.gz YNMUWQWTHTYTOT-RDJZCZTQSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001190590336 917433948 /nfs/dbraw/zinc/43/39/48/917433948.db2.gz YNMUWQWTHTYTOT-RDJZCZTQSA-N 1 2 390.483 3.911 20 10 GHCDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)on1 ZINC000827430426 925499126 /nfs/dbraw/zinc/49/91/26/925499126.db2.gz LUOLQZRSXAFSHU-GOSISDBHSA-N 1 2 382.439 3.944 20 10 GHCDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)on1 ZINC000827430426 925499131 /nfs/dbraw/zinc/49/91/31/925499131.db2.gz LUOLQZRSXAFSHU-GOSISDBHSA-N 1 2 382.439 3.944 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1F ZINC000753857021 929566076 /nfs/dbraw/zinc/56/60/76/929566076.db2.gz IIOATQDKVNJGCG-GOSISDBHSA-N 1 2 399.510 3.909 20 10 GHCDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc(C)cc(Br)c2O)cc1 ZINC000781895988 931016149 /nfs/dbraw/zinc/01/61/49/931016149.db2.gz ZOFZAPQGXMWHJH-UHFFFAOYSA-N 1 2 377.282 3.842 20 10 GHCDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc(C)cc(Br)c2O)cc1 ZINC000781895988 931016151 /nfs/dbraw/zinc/01/61/51/931016151.db2.gz ZOFZAPQGXMWHJH-UHFFFAOYSA-N 1 2 377.282 3.842 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC000781910327 931023773 /nfs/dbraw/zinc/02/37/73/931023773.db2.gz NVSGKUFAQSHDHH-LLVKDONJSA-N 1 2 381.236 3.532 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC000781910327 931023776 /nfs/dbraw/zinc/02/37/76/931023776.db2.gz NVSGKUFAQSHDHH-LLVKDONJSA-N 1 2 381.236 3.532 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000797604402 932342215 /nfs/dbraw/zinc/34/22/15/932342215.db2.gz FJTHDNFUJQPWIM-QWQRMKEZSA-N 1 2 384.314 3.622 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000797604402 932342224 /nfs/dbraw/zinc/34/22/24/932342224.db2.gz FJTHDNFUJQPWIM-QWQRMKEZSA-N 1 2 384.314 3.622 20 10 GHCDLO Cc1cc(C[N@@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c(C)n1-c1ccccc1 ZINC001137857550 935828983 /nfs/dbraw/zinc/82/89/83/935828983.db2.gz IARZPVCPBQHYFC-UHFFFAOYSA-N 1 2 392.503 3.779 20 10 GHCDLO Cc1cc(C[N@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c(C)n1-c1ccccc1 ZINC001137857550 935828985 /nfs/dbraw/zinc/82/89/85/935828985.db2.gz IARZPVCPBQHYFC-UHFFFAOYSA-N 1 2 392.503 3.779 20 10 GHCDLO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC001221455946 1032422780 /nfs/dbraw/zinc/42/27/80/1032422780.db2.gz RHXNEKVXBFSSJK-UHFFFAOYSA-N 1 2 389.503 3.814 20 10 GHCDLO O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC001277232534 1032520677 /nfs/dbraw/zinc/52/06/77/1032520677.db2.gz SSADCXPBWGTEEU-KRWDZBQOSA-N 1 2 390.833 3.813 20 10 GHCDLO O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC001277232534 1032520680 /nfs/dbraw/zinc/52/06/80/1032520680.db2.gz SSADCXPBWGTEEU-KRWDZBQOSA-N 1 2 390.833 3.813 20 10 GHCDLO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1cc(Br)c(F)cc1O ZINC000756372051 1023613972 /nfs/dbraw/zinc/61/39/72/1023613972.db2.gz NVEQPKVCEQWBGR-GFCCVEGCSA-N 1 2 387.293 3.737 20 10 GHCDLO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000756539243 1023704071 /nfs/dbraw/zinc/70/40/71/1023704071.db2.gz KUVYTCLBSGYUPJ-MFKMUULPSA-N 1 2 396.256 3.957 20 10 GHCDLO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000756642615 1023751204 /nfs/dbraw/zinc/75/12/04/1023751204.db2.gz OOVQZXBBCZWYAT-ZWOKBUDYSA-N 1 2 382.504 3.883 20 10 GHCDLO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000756642615 1023751209 /nfs/dbraw/zinc/75/12/09/1023751209.db2.gz OOVQZXBBCZWYAT-ZWOKBUDYSA-N 1 2 382.504 3.883 20 10 GHCDLO Cc1c(C[N@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138255930 1024480814 /nfs/dbraw/zinc/48/08/14/1024480814.db2.gz YCDMVTROKGRLGW-LJQANCHMSA-N 1 2 378.520 3.742 20 10 GHCDLO Cc1c(C[N@@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)c2ccccc2n1C ZINC001138255930 1024480826 /nfs/dbraw/zinc/48/08/26/1024480826.db2.gz YCDMVTROKGRLGW-LJQANCHMSA-N 1 2 378.520 3.742 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC001139128063 1025940440 /nfs/dbraw/zinc/94/04/40/1025940440.db2.gz SAOOKKFNYCSJME-UHFFFAOYSA-N 1 2 383.419 3.990 20 10 GHCDLO COc1ccccc1[C@@H](O)C[N@H+](Cc1c(O)ccc2c(C)cc(=O)oc21)C(C)C ZINC001139131617 1025943307 /nfs/dbraw/zinc/94/33/07/1025943307.db2.gz PYCUTHFUYFTUTP-FQEVSTJZSA-N 1 2 397.471 3.760 20 10 GHCDLO COc1ccccc1[C@@H](O)C[N@@H+](Cc1c(O)ccc2c(C)cc(=O)oc21)C(C)C ZINC001139131617 1025943311 /nfs/dbraw/zinc/94/33/11/1025943311.db2.gz PYCUTHFUYFTUTP-FQEVSTJZSA-N 1 2 397.471 3.760 20 10 GHCDLO Cc1cc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)[nH+]1 ZINC000839464099 1025953425 /nfs/dbraw/zinc/95/34/25/1025953425.db2.gz ZELKEZAKBMYZLO-UHFFFAOYSA-N 1 2 394.519 3.594 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(Cl)c(OC)c3)CC2)cc1 ZINC001139615500 1026478978 /nfs/dbraw/zinc/47/89/78/1026478978.db2.gz GEALZOQMPOAHKU-UHFFFAOYSA-N 1 2 390.911 3.696 20 10 GHCDLO C[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@H]1O ZINC001203562279 1027433722 /nfs/dbraw/zinc/43/37/22/1027433722.db2.gz GRDBULBIDKIJAE-RNCFNFMXSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@@H]1O ZINC001203562279 1027433741 /nfs/dbraw/zinc/43/37/41/1027433741.db2.gz GRDBULBIDKIJAE-RNCFNFMXSA-N 1 2 393.119 3.510 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001203651462 1027507414 /nfs/dbraw/zinc/50/74/14/1027507414.db2.gz PJCWPOPZTKJUKQ-UHFFFAOYSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@H+]2Cc1cc(Cl)ccc1O ZINC001203651462 1027507427 /nfs/dbraw/zinc/50/74/27/1027507427.db2.gz PJCWPOPZTKJUKQ-UHFFFAOYSA-N 1 2 396.915 3.648 20 10 GHCDLO Cc1ccc(Cl)cc1-c1noc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC001217054403 1030125422 /nfs/dbraw/zinc/12/54/22/1030125422.db2.gz DWGDLNVWYCPZAQ-UHFFFAOYSA-N 1 2 385.851 3.903 20 10 GHCDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001223196306 1030480986 /nfs/dbraw/zinc/48/09/86/1030480986.db2.gz DSPDTHJNKMHION-QFIPXVFZSA-N 1 2 398.526 3.870 20 10 GHCDLO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944397 1030875454 /nfs/dbraw/zinc/87/54/54/1030875454.db2.gz MPHMXQRGPWKIPK-SGTLLEGYSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944397 1030875476 /nfs/dbraw/zinc/87/54/76/1030875476.db2.gz MPHMXQRGPWKIPK-SGTLLEGYSA-N 1 2 399.304 3.517 20 10 GHCDLO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154226102 1031992679 /nfs/dbraw/zinc/99/26/79/1031992679.db2.gz DFITUIMAHWDKHL-SFHVURJKSA-N 1 2 385.533 3.507 20 10 GHCDLO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154226102 1031992683 /nfs/dbraw/zinc/99/26/83/1031992683.db2.gz DFITUIMAHWDKHL-SFHVURJKSA-N 1 2 385.533 3.507 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)cc1Cl ZINC001231867028 1034954115 /nfs/dbraw/zinc/95/41/15/1034954115.db2.gz KDPCWHKIEFKUFJ-INIZCTEOSA-N 1 2 398.894 3.661 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)cc1Cl ZINC001231867028 1034954119 /nfs/dbraw/zinc/95/41/19/1034954119.db2.gz KDPCWHKIEFKUFJ-INIZCTEOSA-N 1 2 398.894 3.661 20 10 GHCDLO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)N1Cc1ccncc1 ZINC001231910440 1034984274 /nfs/dbraw/zinc/98/42/74/1034984274.db2.gz PYISVNLDVFQCKR-NRFANRHFSA-N 1 2 385.895 3.598 20 10 GHCDLO O=C1CC[C@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)N1Cc1ccncc1 ZINC001231910440 1034984278 /nfs/dbraw/zinc/98/42/78/1034984278.db2.gz PYISVNLDVFQCKR-NRFANRHFSA-N 1 2 385.895 3.598 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001231909993 1034984414 /nfs/dbraw/zinc/98/44/14/1034984414.db2.gz ISXSIOUJMCQGFK-WIYYLYMNSA-N 1 2 388.895 3.891 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001231909993 1034984418 /nfs/dbraw/zinc/98/44/18/1034984418.db2.gz ISXSIOUJMCQGFK-WIYYLYMNSA-N 1 2 388.895 3.891 20 10 GHCDLO O=C1CCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)N1Cc1ccncc1 ZINC001231911408 1034985416 /nfs/dbraw/zinc/98/54/16/1034985416.db2.gz LEDQKRBZWCNDLL-UHFFFAOYSA-N 1 2 385.895 3.598 20 10 GHCDLO CS(=O)(=O)c1cccc(C2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)c1 ZINC001232263682 1037984957 /nfs/dbraw/zinc/98/49/57/1037984957.db2.gz DAUXONGDVAAWNM-UHFFFAOYSA-N 1 2 395.908 3.534 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3OC)CC2)cc1 ZINC001232501734 1038274551 /nfs/dbraw/zinc/27/45/51/1038274551.db2.gz DDSQHXXEIIUGBC-UHFFFAOYSA-N 1 2 390.911 3.696 20 10 GHCDLO COc1cc(Cl)cc(CN2CC3(C2)CC[N@H+](Cc2csc(C)n2)C3)c1O ZINC001233289165 1039071728 /nfs/dbraw/zinc/07/17/28/1039071728.db2.gz LZWCPTPWKCCOQT-UHFFFAOYSA-N 1 2 393.940 3.527 20 10 GHCDLO COc1cc(Cl)cc(CN2CC3(C2)CC[N@@H+](Cc2csc(C)n2)C3)c1O ZINC001233289165 1039071749 /nfs/dbraw/zinc/07/17/49/1039071749.db2.gz LZWCPTPWKCCOQT-UHFFFAOYSA-N 1 2 393.940 3.527 20 10 GHCDLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235075196 1040564024 /nfs/dbraw/zinc/56/40/24/1040564024.db2.gz LFLPZDWGJZRENY-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235075196 1040564041 /nfs/dbraw/zinc/56/40/41/1040564041.db2.gz LFLPZDWGJZRENY-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001235076224 1040564743 /nfs/dbraw/zinc/56/47/43/1040564743.db2.gz USHFNAVWGHRWEE-HUUCEWRRSA-N 1 2 391.284 3.862 20 10 GHCDLO CN(Cc1cc(Br)cc(C(F)(F)F)c1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236205028 1041618787 /nfs/dbraw/zinc/61/87/87/1041618787.db2.gz FHYTYQZGTBDLRU-AWEZNQCLSA-N 1 2 381.236 3.747 20 10 GHCDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236795334 1041899684 /nfs/dbraw/zinc/89/96/84/1041899684.db2.gz DJZVHAWTSQQRMY-UHFFFAOYSA-N 1 2 398.338 3.537 20 10 GHCDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236795334 1041899688 /nfs/dbraw/zinc/89/96/88/1041899688.db2.gz DJZVHAWTSQQRMY-UHFFFAOYSA-N 1 2 398.338 3.537 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236800987 1041903057 /nfs/dbraw/zinc/90/30/57/1041903057.db2.gz BACQLBIOWOGPCR-IBGZPJMESA-N 1 2 382.888 3.640 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236800987 1041903058 /nfs/dbraw/zinc/90/30/58/1041903058.db2.gz BACQLBIOWOGPCR-IBGZPJMESA-N 1 2 382.888 3.640 20 10 GHCDLO COc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(O)c1Cl ZINC001236801491 1041904169 /nfs/dbraw/zinc/90/41/69/1041904169.db2.gz KEHHJPNPYWMGOH-AWEZNQCLSA-N 1 2 384.904 3.933 20 10 GHCDLO COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(OC)c(Cl)c3O)C2)n1 ZINC001236810275 1041910592 /nfs/dbraw/zinc/91/05/92/1041910592.db2.gz RBXUJAREJQQJJC-AWEZNQCLSA-N 1 2 378.856 3.501 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1Cl ZINC001236812166 1041911362 /nfs/dbraw/zinc/91/13/62/1041911362.db2.gz SLJUPPAHUDSFGI-DZGCQCFKSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1Cl ZINC001236812166 1041911365 /nfs/dbraw/zinc/91/13/65/1041911365.db2.gz SLJUPPAHUDSFGI-DZGCQCFKSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)c(O)c1Cl ZINC001236812251 1041912051 /nfs/dbraw/zinc/91/20/51/1041912051.db2.gz UIIBLEKIJRXZIX-JSGCOSHPSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)c(O)c1Cl ZINC001236812251 1041912055 /nfs/dbraw/zinc/91/20/55/1041912055.db2.gz UIIBLEKIJRXZIX-JSGCOSHPSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1Cl ZINC001236812463 1041912377 /nfs/dbraw/zinc/91/23/77/1041912377.db2.gz WPQYGUKWHBGFQR-UHFFFAOYSA-N 1 2 396.915 3.887 20 10 GHCDLO COc1ccc(C[N@H+]2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1Cl ZINC001236812463 1041912380 /nfs/dbraw/zinc/91/23/80/1041912380.db2.gz WPQYGUKWHBGFQR-UHFFFAOYSA-N 1 2 396.915 3.887 20 10 GHCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236831339 1041921472 /nfs/dbraw/zinc/92/14/72/1041921472.db2.gz VOZGOHMFFMHNNE-NRFANRHFSA-N 1 2 392.503 3.558 20 10 GHCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1cc2ccccc2cc1O ZINC001236831339 1041921474 /nfs/dbraw/zinc/92/14/74/1041921474.db2.gz VOZGOHMFFMHNNE-NRFANRHFSA-N 1 2 392.503 3.558 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001237077878 1042024517 /nfs/dbraw/zinc/02/45/17/1042024517.db2.gz LLKMMFCSONUFRA-WCQYABFASA-N 1 2 376.177 3.926 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001237077878 1042024522 /nfs/dbraw/zinc/02/45/22/1042024522.db2.gz LLKMMFCSONUFRA-WCQYABFASA-N 1 2 376.177 3.926 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001237079281 1042025111 /nfs/dbraw/zinc/02/51/11/1042025111.db2.gz JQDQNVYCHMJAIG-DLBZAZTESA-N 1 2 378.303 3.943 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001237079281 1042025124 /nfs/dbraw/zinc/02/51/24/1042025124.db2.gz JQDQNVYCHMJAIG-DLBZAZTESA-N 1 2 378.303 3.943 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001237079281 1042025131 /nfs/dbraw/zinc/02/51/31/1042025131.db2.gz JQDQNVYCHMJAIG-DLBZAZTESA-N 1 2 378.303 3.943 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001237079281 1042025137 /nfs/dbraw/zinc/02/51/37/1042025137.db2.gz JQDQNVYCHMJAIG-DLBZAZTESA-N 1 2 378.303 3.943 20 10 GHCDLO COc1ccc(C(=O)NC2CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)cc1 ZINC001237126679 1042053988 /nfs/dbraw/zinc/05/39/88/1042053988.db2.gz ONVCCMTYGBGIFF-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO CS(=O)(=O)c1cccc(C2CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)c1 ZINC001237128506 1042055014 /nfs/dbraw/zinc/05/50/14/1042055014.db2.gz QIVXOAZGKJFRQJ-UHFFFAOYSA-N 1 2 397.899 3.968 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)c1O ZINC001237685584 1042326073 /nfs/dbraw/zinc/32/60/73/1042326073.db2.gz NLTMSHQKIKPSAK-INIZCTEOSA-N 1 2 375.900 3.609 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)c1O ZINC001237685584 1042326079 /nfs/dbraw/zinc/32/60/79/1042326079.db2.gz NLTMSHQKIKPSAK-INIZCTEOSA-N 1 2 375.900 3.609 20 10 GHCDLO O=C1C[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1ccsc1 ZINC001237798812 1042375677 /nfs/dbraw/zinc/37/56/77/1042375677.db2.gz BMCMTGMDIRPXPF-GOSISDBHSA-N 1 2 380.872 3.875 20 10 GHCDLO O=C1C[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1ccsc1 ZINC001237798812 1042375683 /nfs/dbraw/zinc/37/56/83/1042375683.db2.gz BMCMTGMDIRPXPF-GOSISDBHSA-N 1 2 380.872 3.875 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237799153 1042375818 /nfs/dbraw/zinc/37/58/18/1042375818.db2.gz OJFNFDDYUFCKOS-MRVPVSSYSA-N 1 2 379.741 3.966 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001237799153 1042375821 /nfs/dbraw/zinc/37/58/21/1042375821.db2.gz OJFNFDDYUFCKOS-MRVPVSSYSA-N 1 2 379.741 3.966 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001237799800 1042376836 /nfs/dbraw/zinc/37/68/36/1042376836.db2.gz UONTZBWNHSEFFC-UHFFFAOYSA-N 1 2 379.741 3.966 20 10 GHCDLO COc1c(C)cnc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1C ZINC001238179104 1042510258 /nfs/dbraw/zinc/51/02/58/1042510258.db2.gz SJQYDXJLDSHCIR-UHFFFAOYSA-N 1 2 395.425 3.928 20 10 GHCDLO Cc1nc2ccccc2n1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC001308185875 1049905141 /nfs/dbraw/zinc/90/51/41/1049905141.db2.gz KLGNHTVCOVDETI-UHFFFAOYSA-N 1 2 378.245 3.742 20 10 GHCDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC001200580025 1056384635 /nfs/dbraw/zinc/38/46/35/1056384635.db2.gz CXSIJRJJHDYXIL-CYBMUJFWSA-N 1 2 383.236 3.801 20 10 GHCDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2cc(F)ccc2F)ccc1N1CCCCC1 ZINC001474297949 1074329710 /nfs/dbraw/zinc/32/97/10/1074329710.db2.gz KLKSXUIYJRUMJE-GOSISDBHSA-N 1 2 391.418 3.687 20 10 GHCDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(Br)c1O ZINC000160248788 835257433 /nfs/dbraw/zinc/25/74/33/835257433.db2.gz YQIGSVBNDQLSDI-UHFFFAOYSA-N 1 2 399.235 3.894 20 10 GHCDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(Br)c1O ZINC000160248788 835257444 /nfs/dbraw/zinc/25/74/44/835257444.db2.gz YQIGSVBNDQLSDI-UHFFFAOYSA-N 1 2 399.235 3.894 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)c(C)n1-c1ccccc1C ZINC000052698382 835289209 /nfs/dbraw/zinc/28/92/09/835289209.db2.gz CLVWGHTXQABBFN-UHFFFAOYSA-N 1 2 393.531 3.576 20 10 GHCDLO C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273494679 847356528 /nfs/dbraw/zinc/35/65/28/847356528.db2.gz OWHWEOLMIABOLD-HNNXBMFYSA-N 1 2 385.464 3.678 20 10 GHCDLO CC(C)[N@H+](Cc1cc(Br)cc(Br)c1O)[C@@H]1CCOC1 ZINC000812775144 890953367 /nfs/dbraw/zinc/95/33/67/890953367.db2.gz HHURJBRNDLCVEE-GFCCVEGCSA-N 1 2 393.119 3.917 20 10 GHCDLO CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@@H]1CCOC1 ZINC000812775144 890953373 /nfs/dbraw/zinc/95/33/73/890953373.db2.gz HHURJBRNDLCVEE-GFCCVEGCSA-N 1 2 393.119 3.917 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cc(Br)c(F)cc1O ZINC000858479372 883130062 /nfs/dbraw/zinc/13/00/62/883130062.db2.gz PVHFUQRVJXCVSJ-ZJUUUORDSA-N 1 2 381.236 3.674 20 10 GHCDLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764810519 859625819 /nfs/dbraw/zinc/62/58/19/859625819.db2.gz RTZPDNBXSDEGFR-VGOFRKELSA-N 1 2 394.494 3.836 20 10 GHCDLO C[C@@]1(O)CCC[N@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000793249635 882045159 /nfs/dbraw/zinc/04/51/59/882045159.db2.gz HISFPVJLVOVJIT-CQSZACIVSA-N 1 2 393.119 3.654 20 10 GHCDLO C[C@@]1(O)CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000793249635 882045179 /nfs/dbraw/zinc/04/51/79/882045179.db2.gz HISFPVJLVOVJIT-CQSZACIVSA-N 1 2 393.119 3.654 20 10 GHCDLO CCCCN1C(=O)C2(CCCCC2)[NH2+]C12CCN(c1ccc(OC)cc1)CC2 ZINC000742443162 867295902 /nfs/dbraw/zinc/29/59/02/867295902.db2.gz DRXQXKGRQYCFDN-UHFFFAOYSA-N 1 2 385.552 3.927 20 10 GHCDLO COc1ccc2nc(C[NH+]3CCN(c4ccc(OC)c(F)c4)CC3)sc2c1 ZINC000775613051 871984435 /nfs/dbraw/zinc/98/44/35/871984435.db2.gz KBXIANJCYWHLBL-UHFFFAOYSA-N 1 2 387.480 3.775 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775716115 873103026 /nfs/dbraw/zinc/10/30/26/873103026.db2.gz PXSTYLKSOXPRTK-SFHVURJKSA-N 1 2 386.879 3.974 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775716115 873103033 /nfs/dbraw/zinc/10/30/33/873103033.db2.gz PXSTYLKSOXPRTK-SFHVURJKSA-N 1 2 386.879 3.974 20 10 GHCDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769451484 874079728 /nfs/dbraw/zinc/07/97/28/874079728.db2.gz MORMUEPYPAVJBD-FQEVSTJZSA-N 1 2 385.483 3.812 20 10 GHCDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769451484 874079751 /nfs/dbraw/zinc/07/97/51/874079751.db2.gz MORMUEPYPAVJBD-FQEVSTJZSA-N 1 2 385.483 3.812 20 10 GHCDLO Cc1cccc(CNc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1O ZINC000787436564 877400968 /nfs/dbraw/zinc/40/09/68/877400968.db2.gz FCTOROXARQTFRP-UHFFFAOYSA-N 1 2 390.325 3.827 20 10 GHCDLO Oc1ccc(Br)cc1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000093512581 912306925 /nfs/dbraw/zinc/30/69/25/912306925.db2.gz CATKPQLAWLWVAQ-UHFFFAOYSA-N 1 2 396.716 3.521 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1 ZINC000789369498 878908292 /nfs/dbraw/zinc/90/82/92/878908292.db2.gz DTPZWTGVVGMHAB-UHFFFAOYSA-N 1 2 379.529 3.925 20 10 GHCDLO Cc1cc(C)c(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)c1 ZINC000790460894 879717789 /nfs/dbraw/zinc/71/77/89/879717789.db2.gz LKMDQVDUYDSTDI-KRWDZBQOSA-N 1 2 394.393 3.581 20 10 GHCDLO Cc1cc(C)c(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)c1 ZINC000790460894 879717810 /nfs/dbraw/zinc/71/78/10/879717810.db2.gz LKMDQVDUYDSTDI-KRWDZBQOSA-N 1 2 394.393 3.581 20 10 GHCDLO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000898218962 884635990 /nfs/dbraw/zinc/63/59/90/884635990.db2.gz UDODODNUXIDTCH-GFCCVEGCSA-N 1 2 378.856 3.570 20 10 GHCDLO CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1O)Cc1ccccc1Cl ZINC000806793664 884989322 /nfs/dbraw/zinc/98/93/22/884989322.db2.gz UDSFBEYBRIFZGV-CQSZACIVSA-N 1 2 376.884 3.754 20 10 GHCDLO CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1O)Cc1ccccc1Cl ZINC000806793664 884989340 /nfs/dbraw/zinc/98/93/40/884989340.db2.gz UDSFBEYBRIFZGV-CQSZACIVSA-N 1 2 376.884 3.754 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)[C@@H]1CCCOC1 ZINC000809693707 887670144 /nfs/dbraw/zinc/67/01/44/887670144.db2.gz YZJFTXVZLZJSHX-LLVKDONJSA-N 1 2 379.092 3.528 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@@H]1CCCOC1 ZINC000809693707 887670154 /nfs/dbraw/zinc/67/01/54/887670154.db2.gz YZJFTXVZLZJSHX-LLVKDONJSA-N 1 2 379.092 3.528 20 10 GHCDLO CC[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O)OC ZINC000810260377 888325486 /nfs/dbraw/zinc/32/54/86/888325486.db2.gz KAEKDKOBKWRMOQ-WPRPVWTQSA-N 1 2 381.108 3.993 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(Br)cc(Cl)c1O ZINC000810243791 888344145 /nfs/dbraw/zinc/34/41/45/888344145.db2.gz UPOBQIBIZZDHGK-SNVBAGLBSA-N 1 2 397.700 3.687 20 10 GHCDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccn1 ZINC000124070440 891249123 /nfs/dbraw/zinc/24/91/23/891249123.db2.gz BHOKOICQWLOAKR-DEOSSOPVSA-N 1 2 389.499 3.806 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000774833253 913689270 /nfs/dbraw/zinc/68/92/70/913689270.db2.gz NEKABRXMOWMNQT-MRXNPFEDSA-N 1 2 378.812 3.536 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000774833253 913689283 /nfs/dbraw/zinc/68/92/83/913689283.db2.gz NEKABRXMOWMNQT-MRXNPFEDSA-N 1 2 378.812 3.536 20 10 GHCDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000774854619 913802448 /nfs/dbraw/zinc/80/24/48/913802448.db2.gz YEISRVIZCDRENW-VQIMIIECSA-N 1 2 399.491 3.966 20 10 GHCDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000774854619 913802466 /nfs/dbraw/zinc/80/24/66/913802466.db2.gz YEISRVIZCDRENW-VQIMIIECSA-N 1 2 399.491 3.966 20 10 GHCDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC(C)(C)C1 ZINC001171086418 900133414 /nfs/dbraw/zinc/13/34/14/900133414.db2.gz FQZMBJKNVCPSQT-UHFFFAOYSA-N 1 2 390.483 3.911 20 10 GHCDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC(C)(C)C1 ZINC001171086418 900133424 /nfs/dbraw/zinc/13/34/24/900133424.db2.gz FQZMBJKNVCPSQT-UHFFFAOYSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@@H](c1cccc(NC(=O)NCc2cc(Cl)ccc2O)c1)[NH+]1CCOCC1 ZINC000844530642 900973206 /nfs/dbraw/zinc/97/32/06/900973206.db2.gz HUHDQKXTPGRGMW-AWEZNQCLSA-N 1 2 389.883 3.761 20 10 GHCDLO COc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299727 901650683 /nfs/dbraw/zinc/65/06/83/901650683.db2.gz HMNMGDGBHYQFPB-CYBMUJFWSA-N 1 2 396.256 3.956 20 10 GHCDLO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299727 901650691 /nfs/dbraw/zinc/65/06/91/901650691.db2.gz HMNMGDGBHYQFPB-CYBMUJFWSA-N 1 2 396.256 3.956 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1O ZINC001144307607 901696401 /nfs/dbraw/zinc/69/64/01/901696401.db2.gz BPQFPLIAXZVDFI-LBPRGKRZSA-N 1 2 388.277 3.990 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1O ZINC001144307607 901696405 /nfs/dbraw/zinc/69/64/05/901696405.db2.gz BPQFPLIAXZVDFI-LBPRGKRZSA-N 1 2 388.277 3.990 20 10 GHCDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2cc(Br)cc(C)c2O)no1 ZINC000290241760 914592138 /nfs/dbraw/zinc/59/21/38/914592138.db2.gz SSFYAWLJSQZPHK-MNOVXSKESA-N 1 2 384.274 3.794 20 10 GHCDLO CC(C)c1ccccc1/C=C1/SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000846757514 903175094 /nfs/dbraw/zinc/17/50/94/903175094.db2.gz ZOGJAPHQRPSOLF-NBVRZTHBSA-N 1 2 390.574 3.734 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cc1F ZINC001144978090 903328245 /nfs/dbraw/zinc/32/82/45/903328245.db2.gz OQKWHVAHRMHDJW-JOCHJYFZSA-N 1 2 399.510 3.571 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)cc1F ZINC001144978090 903328258 /nfs/dbraw/zinc/32/82/58/903328258.db2.gz OQKWHVAHRMHDJW-JOCHJYFZSA-N 1 2 399.510 3.571 20 10 GHCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000184960401 907687931 /nfs/dbraw/zinc/68/79/31/907687931.db2.gz AHRUWZWANJAIFS-SPLOXXLWSA-N 1 2 397.475 3.592 20 10 GHCDLO O=C([C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2)N1CCCCC1 ZINC000779604101 907860263 /nfs/dbraw/zinc/86/02/63/907860263.db2.gz GFEDLMZSGXZUAC-INIZCTEOSA-N 1 2 380.891 3.799 20 10 GHCDLO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176969752 908338833 /nfs/dbraw/zinc/33/88/33/908338833.db2.gz FNZRPRHYHPMAPV-AWEZNQCLSA-N 1 2 396.878 3.522 20 10 GHCDLO COC(=O)c1c(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001182126878 911187280 /nfs/dbraw/zinc/18/72/80/911187280.db2.gz LAJDSWUYCVBIDL-AWEZNQCLSA-N 1 2 382.435 3.887 20 10 GHCDLO COC(=O)c1c(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001182126878 911187288 /nfs/dbraw/zinc/18/72/88/911187288.db2.gz LAJDSWUYCVBIDL-AWEZNQCLSA-N 1 2 382.435 3.887 20 10 GHCDLO CCS[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775254120 916652569 /nfs/dbraw/zinc/65/25/69/916652569.db2.gz HCRWNGVCPFUJNQ-GJZGRUSLSA-N 1 2 376.526 3.571 20 10 GHCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000651240081 917541521 /nfs/dbraw/zinc/54/15/21/917541521.db2.gz QAMHPIGVDVFXCY-MRXNPFEDSA-N 1 2 392.503 3.658 20 10 GHCDLO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191231950 917867753 /nfs/dbraw/zinc/86/77/53/917867753.db2.gz DXELBIFBOREIRM-GJZGRUSLSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191231950 917867766 /nfs/dbraw/zinc/86/77/66/917867766.db2.gz DXELBIFBOREIRM-GJZGRUSLSA-N 1 2 376.456 3.521 20 10 GHCDLO O=C1NCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@H]1c1ccccc1 ZINC000748795450 923833793 /nfs/dbraw/zinc/83/37/93/923833793.db2.gz QACZURAZANWGSL-QFIPXVFZSA-N 1 2 376.456 3.690 20 10 GHCDLO O=C1NCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@H]1c1ccccc1 ZINC000748795450 923833800 /nfs/dbraw/zinc/83/38/00/923833800.db2.gz QACZURAZANWGSL-QFIPXVFZSA-N 1 2 376.456 3.690 20 10 GHCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000749659270 927225037 /nfs/dbraw/zinc/22/50/37/927225037.db2.gz GUOQEQLZTOLTSH-UHFFFAOYSA-N 1 2 394.494 3.984 20 10 GHCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000749659270 927225048 /nfs/dbraw/zinc/22/50/48/927225048.db2.gz GUOQEQLZTOLTSH-UHFFFAOYSA-N 1 2 394.494 3.984 20 10 GHCDLO O=C1/C(=C\c2cc(-n3cc[nH+]c3)cs2)SC(=S)N1CCc1ccccn1 ZINC000783697243 931620929 /nfs/dbraw/zinc/62/09/29/931620929.db2.gz BQPYUKNFYBDDKC-MHWRWJLKSA-N 1 2 398.538 3.773 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000798953568 932835659 /nfs/dbraw/zinc/83/56/59/932835659.db2.gz HIQXMBKOTJNZNT-GOSISDBHSA-N 1 2 399.329 3.891 20 10 GHCDLO Oc1cccc(F)c1C[NH+]1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC001137837430 935816568 /nfs/dbraw/zinc/81/65/68/935816568.db2.gz GQKSURQQFLSPGV-UHFFFAOYSA-N 1 2 389.780 3.921 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)cccc1F ZINC001137841858 935818827 /nfs/dbraw/zinc/81/88/27/935818827.db2.gz XWFMDPYJRJDPQP-KRWDZBQOSA-N 1 2 386.467 3.983 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1Cc1c(O)cccc1F ZINC001137841858 935818829 /nfs/dbraw/zinc/81/88/29/935818829.db2.gz XWFMDPYJRJDPQP-KRWDZBQOSA-N 1 2 386.467 3.983 20 10 GHCDLO CC[NH+](CC)C[C@H](C)Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001227505290 1032444944 /nfs/dbraw/zinc/44/49/44/1032444944.db2.gz OJMAOQXCFFUGAK-AWEZNQCLSA-N 1 2 383.444 3.980 20 10 GHCDLO Cc1nc(CN2CC[C@]3(CCC[N@@H+]3Cc3cccc(Cl)c3O)C2=O)cs1 ZINC001277232562 1032520755 /nfs/dbraw/zinc/52/07/55/1032520755.db2.gz UHJBBZDAXPOSKB-LJQANCHMSA-N 1 2 391.924 3.578 20 10 GHCDLO Cc1nc(CN2CC[C@]3(CCC[N@H+]3Cc3cccc(Cl)c3O)C2=O)cs1 ZINC001277232562 1032520764 /nfs/dbraw/zinc/52/07/64/1032520764.db2.gz UHJBBZDAXPOSKB-LJQANCHMSA-N 1 2 391.924 3.578 20 10 GHCDLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2c(O)cccc2Cl)cs1 ZINC001140340147 1021448685 /nfs/dbraw/zinc/44/86/85/1021448685.db2.gz RTVMYUNJTBRXTE-QXAKKESOSA-N 1 2 394.924 3.759 20 10 GHCDLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2c(O)cccc2Cl)cs1 ZINC001140340147 1021448689 /nfs/dbraw/zinc/44/86/89/1021448689.db2.gz RTVMYUNJTBRXTE-QXAKKESOSA-N 1 2 394.924 3.759 20 10 GHCDLO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c(OC)c1 ZINC000834881489 1021606107 /nfs/dbraw/zinc/60/61/07/1021606107.db2.gz QPSPIYXLFNMCAK-RYUDHWBXSA-N 1 2 381.419 3.978 20 10 GHCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3Cc4cccnc4C3)cc2)CC1 ZINC001140474333 1021770178 /nfs/dbraw/zinc/77/01/78/1021770178.db2.gz MNITWNNBHBALIQ-UHFFFAOYSA-N 1 2 394.519 3.655 20 10 GHCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@H+]3Cc4cccnc4C3)cc2)CC1 ZINC001140474333 1021770196 /nfs/dbraw/zinc/77/01/96/1021770196.db2.gz MNITWNNBHBALIQ-UHFFFAOYSA-N 1 2 394.519 3.655 20 10 GHCDLO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](Cc3c(O)cc(F)cc3F)C[C@H]21 ZINC001140580526 1022000721 /nfs/dbraw/zinc/00/07/21/1022000721.db2.gz GBDWPOJFPCGGJC-ZBFHGGJFSA-N 1 2 381.426 3.843 20 10 GHCDLO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@H]21 ZINC001140580526 1022000738 /nfs/dbraw/zinc/00/07/38/1022000738.db2.gz GBDWPOJFPCGGJC-ZBFHGGJFSA-N 1 2 381.426 3.843 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140581338 1022001771 /nfs/dbraw/zinc/00/17/71/1022001771.db2.gz PAAOFBLVXLFOTP-FPOVZHCZSA-N 1 2 390.430 3.516 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140585358 1022008824 /nfs/dbraw/zinc/00/88/24/1022008824.db2.gz GPWCUWSCJAPEJW-LLVKDONJSA-N 1 2 389.324 3.523 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140585358 1022008837 /nfs/dbraw/zinc/00/88/37/1022008837.db2.gz GPWCUWSCJAPEJW-LLVKDONJSA-N 1 2 389.324 3.523 20 10 GHCDLO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001141050336 1023389873 /nfs/dbraw/zinc/38/98/73/1023389873.db2.gz KETUSTNRAKCSLF-OAQYLSRUSA-N 1 2 395.547 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075293 1023435127 /nfs/dbraw/zinc/43/51/27/1023435127.db2.gz LYWXCYNPNXGQJZ-UHFFFAOYSA-N 1 2 383.536 3.581 20 10 GHCDLO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075293 1023435132 /nfs/dbraw/zinc/43/51/32/1023435132.db2.gz LYWXCYNPNXGQJZ-UHFFFAOYSA-N 1 2 383.536 3.581 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccncc3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001141082675 1023450882 /nfs/dbraw/zinc/45/08/82/1023450882.db2.gz PYKXGYLMVPEMNO-UHFFFAOYSA-N 1 2 398.507 3.759 20 10 GHCDLO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756784614 1023814774 /nfs/dbraw/zinc/81/47/74/1023814774.db2.gz PJDYRIUXSIJDSE-KGFZYKRKSA-N 1 2 376.600 3.772 20 10 GHCDLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(Br)c(F)cc1O ZINC000756742519 1023795170 /nfs/dbraw/zinc/79/51/70/1023795170.db2.gz NKPYXHXBSOOUQU-LLVKDONJSA-N 1 2 391.244 3.725 20 10 GHCDLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cc(Br)c(F)cc1O ZINC000756800664 1023819226 /nfs/dbraw/zinc/81/92/26/1023819226.db2.gz CDYZFBGEFQFSRD-NSHDSACASA-N 1 2 396.260 3.699 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(OC(C)(C)C)n3)CC2)c(OC)c1 ZINC001138285129 1024550890 /nfs/dbraw/zinc/55/08/90/1024550890.db2.gz UIEZWHSJDVAMSF-UHFFFAOYSA-N 1 2 385.508 3.598 20 10 GHCDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc(Br)c1O ZINC001141367814 1024740829 /nfs/dbraw/zinc/74/08/29/1024740829.db2.gz RMUDXUGNJMCETO-UHFFFAOYSA-N 1 2 393.709 3.765 20 10 GHCDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc(Br)c1O ZINC001141367814 1024740847 /nfs/dbraw/zinc/74/08/47/1024740847.db2.gz RMUDXUGNJMCETO-UHFFFAOYSA-N 1 2 393.709 3.765 20 10 GHCDLO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)[C@@H]1C ZINC001141373053 1024761136 /nfs/dbraw/zinc/76/11/36/1024761136.db2.gz KVBREJAJYJFRMY-SKDRFNHKSA-N 1 2 376.678 3.582 20 10 GHCDLO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)[C@@H]1C ZINC001141373053 1024761144 /nfs/dbraw/zinc/76/11/44/1024761144.db2.gz KVBREJAJYJFRMY-SKDRFNHKSA-N 1 2 376.678 3.582 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001141374222 1024767849 /nfs/dbraw/zinc/76/78/49/1024767849.db2.gz CBKACUSQSRVBPL-GFCCVEGCSA-N 1 2 378.669 3.901 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1nc(Br)cs1)C[C@H]1CCCO1 ZINC001205101985 1033252033 /nfs/dbraw/zinc/25/20/33/1033252033.db2.gz ZSOHUXFRSOBELQ-CYBMUJFWSA-N 1 2 383.311 3.792 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1nc(Br)cs1)C[C@H]1CCCO1 ZINC001205101985 1033252048 /nfs/dbraw/zinc/25/20/48/1033252048.db2.gz ZSOHUXFRSOBELQ-CYBMUJFWSA-N 1 2 383.311 3.792 20 10 GHCDLO CCCc1noc(C2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)n1 ZINC001139130937 1025943054 /nfs/dbraw/zinc/94/30/54/1025943054.db2.gz KJVQCUPZVHSZSD-UHFFFAOYSA-N 1 2 383.448 3.522 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(n2cnc3ccccc32)CC1 ZINC001139130235 1025943831 /nfs/dbraw/zinc/94/38/31/1025943831.db2.gz VFJBFCOCRMWQQZ-UHFFFAOYSA-N 1 2 389.455 3.994 20 10 GHCDLO CC(C)OCc1ncn2c1C[N@H+](Cc1c(O)cccc1Br)CCC2 ZINC001140100934 1026879236 /nfs/dbraw/zinc/87/92/36/1026879236.db2.gz HGXFYRVODINNIR-UHFFFAOYSA-N 1 2 394.313 3.682 20 10 GHCDLO CC(C)OCc1ncn2c1C[N@@H+](Cc1c(O)cccc1Br)CCC2 ZINC001140100934 1026879244 /nfs/dbraw/zinc/87/92/44/1026879244.db2.gz HGXFYRVODINNIR-UHFFFAOYSA-N 1 2 394.313 3.682 20 10 GHCDLO Cc1cc(N(C)c2ccc(N)cc2)c[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203554587 1027432443 /nfs/dbraw/zinc/43/24/43/1027432443.db2.gz RDOXSIVYHUINRE-UHFFFAOYSA-N 1 2 397.523 3.797 20 10 GHCDLO C[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C[C@]1(C)O ZINC001203565296 1027436210 /nfs/dbraw/zinc/43/62/10/1027436210.db2.gz ZBUTYBLBIYHYQN-OTYXRUKQSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C[C@]1(C)O ZINC001203565296 1027436214 /nfs/dbraw/zinc/43/62/14/1027436214.db2.gz ZBUTYBLBIYHYQN-OTYXRUKQSA-N 1 2 393.119 3.510 20 10 GHCDLO Oc1ccc(-c2nc(-c3cc(F)cc(Cl)c3)no2)cc1C[NH+]1CCOCC1 ZINC001217055673 1030127150 /nfs/dbraw/zinc/12/71/50/1030127150.db2.gz XJCBMOFXDOVQNG-UHFFFAOYSA-N 1 2 389.814 3.734 20 10 GHCDLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461690249 1069680875 /nfs/dbraw/zinc/68/08/75/1069680875.db2.gz YYWGYDLLTMRHIN-YDEXJTGXSA-N 1 2 393.119 3.819 20 10 GHCDLO O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O[C@@H]3CCC[C@]34CC[NH2+]C4)c12 ZINC001218097804 1030770006 /nfs/dbraw/zinc/77/00/06/1030770006.db2.gz XZTTXNVVQVZNPX-AUSIDOKSSA-N 1 2 393.439 3.782 20 10 GHCDLO COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc2ccccc2c1/N=N/c1ccccn1 ZINC001218345788 1030905357 /nfs/dbraw/zinc/90/53/57/1030905357.db2.gz AOEHSKWORWQAOS-UELNFTLMSA-N 1 2 376.416 3.933 20 10 GHCDLO Nc1ccc(N(C(=O)[C@@H]2C[NH2+]CC(F)(F)C2)c2ccc3ccccc3c2N)cc1 ZINC001219471863 1031443792 /nfs/dbraw/zinc/44/37/92/1031443792.db2.gz VXBARUGYMPSQBY-HNNXBMFYSA-N 1 2 396.441 3.914 20 10 GHCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1c(O)cccc1Br ZINC001205486919 1033437380 /nfs/dbraw/zinc/43/73/80/1033437380.db2.gz XTNKRVGNDIQQCB-BETUJISGSA-N 1 2 399.329 3.984 20 10 GHCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1c(O)cccc1Br ZINC001205486919 1033437389 /nfs/dbraw/zinc/43/73/89/1033437389.db2.gz XTNKRVGNDIQQCB-BETUJISGSA-N 1 2 399.329 3.984 20 10 GHCDLO Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2c[nH+]c(N(C)C)cc2C)cc1 ZINC001206741823 1033965135 /nfs/dbraw/zinc/96/51/35/1033965135.db2.gz AOZKLGRVXDSYPU-UHFFFAOYSA-N 1 2 396.516 3.874 20 10 GHCDLO O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001159041385 1034397807 /nfs/dbraw/zinc/39/78/07/1034397807.db2.gz KXONPBUUUVBTOZ-SFHVURJKSA-N 1 2 376.859 3.856 20 10 GHCDLO O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001159041385 1034397819 /nfs/dbraw/zinc/39/78/19/1034397819.db2.gz KXONPBUUUVBTOZ-SFHVURJKSA-N 1 2 376.859 3.856 20 10 GHCDLO CC(C)=CCN1CCC2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)C1=O ZINC001277508037 1034530542 /nfs/dbraw/zinc/53/05/42/1034530542.db2.gz UKWLGHMKKRXGNC-UHFFFAOYSA-N 1 2 380.891 3.965 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)cc1Cl ZINC001231867661 1034954068 /nfs/dbraw/zinc/95/40/68/1034954068.db2.gz PHVXSWIRNLPNKM-MRXNPFEDSA-N 1 2 377.916 3.860 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)cc1Cl ZINC001231867661 1034954073 /nfs/dbraw/zinc/95/40/73/1034954073.db2.gz PHVXSWIRNLPNKM-MRXNPFEDSA-N 1 2 377.916 3.860 20 10 GHCDLO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231912375 1034987267 /nfs/dbraw/zinc/98/72/67/1034987267.db2.gz ZPOPGNIMJBJEEO-QFIPXVFZSA-N 1 2 382.891 3.946 20 10 GHCDLO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231912375 1034987269 /nfs/dbraw/zinc/98/72/69/1034987269.db2.gz ZPOPGNIMJBJEEO-QFIPXVFZSA-N 1 2 382.891 3.946 20 10 GHCDLO CCOc1ccccc1N1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001462013934 1069945544 /nfs/dbraw/zinc/94/55/44/1069945544.db2.gz OTAGWHINZKJUBE-UHFFFAOYSA-N 1 2 375.463 3.752 20 10 GHCDLO COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)[NH2+]Cc1cc(C)cc(OC)c1O ZINC001462112282 1070001946 /nfs/dbraw/zinc/00/19/46/1070001946.db2.gz HIPKDXSAGOAXNB-FXAWDEMLSA-N 1 2 383.488 3.851 20 10 GHCDLO CCC[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001232263328 1037985035 /nfs/dbraw/zinc/98/50/35/1037985035.db2.gz MUBUAIMBZZYPFU-AWEZNQCLSA-N 1 2 384.904 3.973 20 10 GHCDLO CCC[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001232263328 1037985043 /nfs/dbraw/zinc/98/50/43/1037985043.db2.gz MUBUAIMBZZYPFU-AWEZNQCLSA-N 1 2 384.904 3.973 20 10 GHCDLO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3c(O)ccc(F)c3F)C2)CC1 ZINC001233335686 1039138685 /nfs/dbraw/zinc/13/86/85/1039138685.db2.gz HBAGGZLUZVHPPD-UHFFFAOYSA-N 1 2 382.451 3.893 20 10 GHCDLO Cc1cccc(N2CCC[N@H+](Cc3cc(Br)cc(F)c3O)CC2)n1 ZINC001235067486 1040558463 /nfs/dbraw/zinc/55/84/63/1040558463.db2.gz UJUSGPNGWOEJJT-UHFFFAOYSA-N 1 2 394.288 3.710 20 10 GHCDLO Cc1cccc(N2CCC[N@@H+](Cc3cc(Br)cc(F)c3O)CC2)n1 ZINC001235067486 1040558477 /nfs/dbraw/zinc/55/84/77/1040558477.db2.gz UJUSGPNGWOEJJT-UHFFFAOYSA-N 1 2 394.288 3.710 20 10 GHCDLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC001235075753 1040563110 /nfs/dbraw/zinc/56/31/10/1040563110.db2.gz OYALMXSCRBEXMH-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)n1 ZINC001235075753 1040563121 /nfs/dbraw/zinc/56/31/21/1040563121.db2.gz OYALMXSCRBEXMH-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO Oc1c(F)cc(Br)cc1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001235073513 1040563877 /nfs/dbraw/zinc/56/38/77/1040563877.db2.gz BGMNCROEAVMBFG-CQSZACIVSA-N 1 2 393.247 3.599 20 10 GHCDLO CCc1nnc(C2CC[NH+](Cc3cc(F)cc(Br)c3O)CC2)o1 ZINC001235304931 1040777686 /nfs/dbraw/zinc/77/76/86/1040777686.db2.gz GTANTLLEBWCRJG-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993109 1041801128 /nfs/dbraw/zinc/80/11/28/1041801128.db2.gz SMIWBQKSUGJRDE-HXPMCKFVSA-N 1 2 399.318 3.634 20 10 GHCDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993109 1041801135 /nfs/dbraw/zinc/80/11/35/1041801135.db2.gz SMIWBQKSUGJRDE-HXPMCKFVSA-N 1 2 399.318 3.634 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC001236662226 1041809924 /nfs/dbraw/zinc/80/99/24/1041809924.db2.gz AOEFGBZFDBRJFF-UHFFFAOYSA-N 1 2 379.273 3.924 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC001236662243 1041810142 /nfs/dbraw/zinc/81/01/42/1041810142.db2.gz AWJWLVMVXZZOLP-UHFFFAOYSA-N 1 2 390.325 3.566 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC001236662243 1041810146 /nfs/dbraw/zinc/81/01/46/1041810146.db2.gz AWJWLVMVXZZOLP-UHFFFAOYSA-N 1 2 390.325 3.566 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CCC[N@H+](Cc3ccncc3)CC2)c1 ZINC001236662243 1041810150 /nfs/dbraw/zinc/81/01/50/1041810150.db2.gz AWJWLVMVXZZOLP-UHFFFAOYSA-N 1 2 390.325 3.566 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CCC[N@@H+](Cc3ccncc3)CC2)c1 ZINC001236662243 1041810153 /nfs/dbraw/zinc/81/01/53/1041810153.db2.gz AWJWLVMVXZZOLP-UHFFFAOYSA-N 1 2 390.325 3.566 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001236794708 1041899127 /nfs/dbraw/zinc/89/91/27/1041899127.db2.gz UGDAGUQUYHGRQL-STQMWFEESA-N 1 2 376.177 3.926 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001236794708 1041899131 /nfs/dbraw/zinc/89/91/31/1041899131.db2.gz UGDAGUQUYHGRQL-STQMWFEESA-N 1 2 376.177 3.926 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCCn3cnc(COC(C)C)c3C2)c(Cl)c1 ZINC001236798426 1041902557 /nfs/dbraw/zinc/90/25/57/1041902557.db2.gz GDYYUNKTVIPPGV-UHFFFAOYSA-N 1 2 379.888 3.582 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCCn3cnc(COC(C)C)c3C2)c(Cl)c1 ZINC001236798426 1041902558 /nfs/dbraw/zinc/90/25/58/1041902558.db2.gz GDYYUNKTVIPPGV-UHFFFAOYSA-N 1 2 379.888 3.582 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)c(O)c1Cl ZINC001236807866 1041908673 /nfs/dbraw/zinc/90/86/73/1041908673.db2.gz UKQOGMSOMAFTAP-SJLPKXTDSA-N 1 2 388.895 3.678 20 10 GHCDLO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)c(O)c1Cl ZINC001236807866 1041908677 /nfs/dbraw/zinc/90/86/77/1041908677.db2.gz UKQOGMSOMAFTAP-SJLPKXTDSA-N 1 2 388.895 3.678 20 10 GHCDLO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001236813263 1041912094 /nfs/dbraw/zinc/91/20/94/1041912094.db2.gz KXQYVEFPYHQWCV-MRXNPFEDSA-N 1 2 383.916 3.709 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1Cl ZINC001236818303 1041915112 /nfs/dbraw/zinc/91/51/12/1041915112.db2.gz LQFJJHZSJYBCFF-CFVMTHIKSA-N 1 2 396.915 3.789 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1Cl ZINC001236818303 1041915114 /nfs/dbraw/zinc/91/51/14/1041915114.db2.gz LQFJJHZSJYBCFF-CFVMTHIKSA-N 1 2 396.915 3.789 20 10 GHCDLO CCOc1ccc(C[N@@H+]2CCOc3ccc(Br)cc3C2)c(O)c1 ZINC001237046331 1042005308 /nfs/dbraw/zinc/00/53/08/1042005308.db2.gz AMWHTARNXLWHSE-UHFFFAOYSA-N 1 2 378.266 3.948 20 10 GHCDLO CCOc1ccc(C[N@H+]2CCOc3ccc(Br)cc3C2)c(O)c1 ZINC001237046331 1042005317 /nfs/dbraw/zinc/00/53/17/1042005317.db2.gz AMWHTARNXLWHSE-UHFFFAOYSA-N 1 2 378.266 3.948 20 10 GHCDLO COC(=O)c1cccc2c1C[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237055545 1042013218 /nfs/dbraw/zinc/01/32/18/1042013218.db2.gz FOEZEGYIICRQHZ-UHFFFAOYSA-N 1 2 381.350 3.636 20 10 GHCDLO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237055545 1042013227 /nfs/dbraw/zinc/01/32/27/1042013227.db2.gz FOEZEGYIICRQHZ-UHFFFAOYSA-N 1 2 381.350 3.636 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cn(CC)nc21 ZINC001237113257 1042045532 /nfs/dbraw/zinc/04/55/32/1042045532.db2.gz UWBYDJFDQWZGGS-AWEZNQCLSA-N 1 2 399.413 3.643 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cn(CC)nc21 ZINC001237113257 1042045538 /nfs/dbraw/zinc/04/55/38/1042045538.db2.gz UWBYDJFDQWZGGS-AWEZNQCLSA-N 1 2 399.413 3.643 20 10 GHCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001237121693 1042049841 /nfs/dbraw/zinc/04/98/41/1042049841.db2.gz NTGNBMJZGZMUSX-DOMZBBRYSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001237121693 1042049854 /nfs/dbraw/zinc/04/98/54/1042049854.db2.gz NTGNBMJZGZMUSX-DOMZBBRYSA-N 1 2 381.904 3.738 20 10 GHCDLO COCCOc1cccc(N2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)c1 ZINC001237624035 1042290971 /nfs/dbraw/zinc/29/09/71/1042290971.db2.gz VGVWRCCKQBXTLL-UHFFFAOYSA-N 1 2 394.874 3.532 20 10 GHCDLO Oc1c(C[NH+]2CCC3(COC3)CC2)cc(Br)cc1C(F)(F)F ZINC001237784043 1042366977 /nfs/dbraw/zinc/36/69/77/1042366977.db2.gz ORWZJAKAJSUBDD-UHFFFAOYSA-N 1 2 380.204 3.786 20 10 GHCDLO Oc1c(Cl)cc(F)cc1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001237800204 1042376794 /nfs/dbraw/zinc/37/67/94/1042376794.db2.gz MFLDSKXIGNEBRY-FUHWJXTLSA-N 1 2 394.849 3.661 20 10 GHCDLO Oc1c(Cl)cc(F)cc1CN1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001237800204 1042376801 /nfs/dbraw/zinc/37/68/01/1042376801.db2.gz MFLDSKXIGNEBRY-FUHWJXTLSA-N 1 2 394.849 3.661 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC001308237328 1049922482 /nfs/dbraw/zinc/92/24/82/1049922482.db2.gz GGGLOGNNBXPQTD-UHFFFAOYSA-N 1 2 390.256 3.812 20 10 GHCDLO Cn1c(C[NH2+]Cc2cc(Br)cc(F)c2O)nc2cc(F)ccc21 ZINC001308282684 1049936204 /nfs/dbraw/zinc/93/62/04/1049936204.db2.gz VQJXZBCBFBAOEY-UHFFFAOYSA-N 1 2 382.208 3.609 20 10 GHCDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(C)cc(Br)c1O)CCO2 ZINC001308770067 1050088525 /nfs/dbraw/zinc/08/85/25/1050088525.db2.gz MQCMGLUUOXFFEY-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO COc1ccc2c(c1)C[N@H+](Cc1cc(C)cc(Br)c1O)CCO2 ZINC001308770067 1050088531 /nfs/dbraw/zinc/08/85/31/1050088531.db2.gz MQCMGLUUOXFFEY-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000848572222 1057187666 /nfs/dbraw/zinc/18/76/66/1057187666.db2.gz HIWMDXAAFKMTKX-NSHDSACASA-N 1 2 396.256 3.860 20 10 GHCDLO Cc1cc(CNC(=O)NCc2nc(C[NH+](C)C)cs2)c(C)n1-c1ccccc1 ZINC001479101978 1079103239 /nfs/dbraw/zinc/10/32/39/1079103239.db2.gz HTTHFNITDATSGM-UHFFFAOYSA-N 1 2 397.548 3.612 20 10 GHCDLO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001474309600 1074334530 /nfs/dbraw/zinc/33/45/30/1074334530.db2.gz FHQVXFDEMDXTSN-NSHDSACASA-N 1 2 389.721 3.546 20 10 GHCDLO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001474309600 1074334536 /nfs/dbraw/zinc/33/45/36/1074334536.db2.gz FHQVXFDEMDXTSN-NSHDSACASA-N 1 2 389.721 3.546 20 10 GHCDLO Oc1ccc(Br)cc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000120940493 837480200 /nfs/dbraw/zinc/48/02/00/837480200.db2.gz INDIFWKZQHDVFI-UHFFFAOYSA-N 1 2 377.282 3.599 20 10 GHCDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(Br)c1O ZINC000160648840 840226192 /nfs/dbraw/zinc/22/61/92/840226192.db2.gz YPIPPZRVKCNOGC-UHFFFAOYSA-N 1 2 393.281 3.624 20 10 GHCDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(Br)c1O ZINC000160648840 840226203 /nfs/dbraw/zinc/22/62/03/840226203.db2.gz YPIPPZRVKCNOGC-UHFFFAOYSA-N 1 2 393.281 3.624 20 10 GHCDLO O=C(c1ccccc1)N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000171128878 861539603 /nfs/dbraw/zinc/53/96/03/861539603.db2.gz NQBLEWFWMUETDZ-UHFFFAOYSA-N 1 2 389.293 3.549 20 10 GHCDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765421455 859962616 /nfs/dbraw/zinc/96/26/16/859962616.db2.gz SHYCJGXGYZNLAX-MRXNPFEDSA-N 1 2 380.471 3.643 20 10 GHCDLO CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000763881938 860887972 /nfs/dbraw/zinc/88/79/72/860887972.db2.gz WISKEQIIAOGNMI-HXUWFJFHSA-N 1 2 384.480 3.758 20 10 GHCDLO CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000763881938 860887989 /nfs/dbraw/zinc/88/79/89/860887989.db2.gz WISKEQIIAOGNMI-HXUWFJFHSA-N 1 2 384.480 3.758 20 10 GHCDLO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)[C@H](C)O1 ZINC000840963989 867051059 /nfs/dbraw/zinc/05/10/59/867051059.db2.gz PZCYUVBKVXGUHI-KXUCPTDWSA-N 1 2 393.119 3.820 20 10 GHCDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000730228698 867589883 /nfs/dbraw/zinc/58/98/83/867589883.db2.gz WEVVSSVPTDRXPN-SFHVURJKSA-N 1 2 396.579 3.583 20 10 GHCDLO CC[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cc(Br)ccc1O ZINC000775540657 870592358 /nfs/dbraw/zinc/59/23/58/870592358.db2.gz OPLPAYSYAHQTGO-OAHLLOKOSA-N 1 2 380.286 3.541 20 10 GHCDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(N(C)C)cc3C)cn2c1 ZINC000115490359 882499895 /nfs/dbraw/zinc/49/98/95/882499895.db2.gz NNZPMGQWFZZZFW-UHFFFAOYSA-N 1 2 382.533 3.567 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+]3Cc4ccccc4NC(=O)[C@H]3C)cc2)CC1 ZINC000857920957 882638704 /nfs/dbraw/zinc/63/87/04/882638704.db2.gz GRBWNJLGGQBZFG-QGZVFWFLSA-N 1 2 379.504 3.645 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+]3Cc4ccccc4NC(=O)[C@H]3C)cc2)CC1 ZINC000857920957 882638709 /nfs/dbraw/zinc/63/87/09/882638709.db2.gz GRBWNJLGGQBZFG-QGZVFWFLSA-N 1 2 379.504 3.645 20 10 GHCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000768253143 873193032 /nfs/dbraw/zinc/19/30/32/873193032.db2.gz VIRPOVHYKMPPTH-UHFFFAOYSA-N 1 2 395.286 3.666 20 10 GHCDLO CC[N@H+](Cc1nc(CC(F)(F)F)no1)Cc1cc(Br)ccc1O ZINC000743870866 873646322 /nfs/dbraw/zinc/64/63/22/873646322.db2.gz FDDBUCPWOHMVJM-UHFFFAOYSA-N 1 2 394.191 3.665 20 10 GHCDLO CC[N@@H+](Cc1nc(CC(F)(F)F)no1)Cc1cc(Br)ccc1O ZINC000743870866 873646331 /nfs/dbraw/zinc/64/63/31/873646331.db2.gz FDDBUCPWOHMVJM-UHFFFAOYSA-N 1 2 394.191 3.665 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]Cc2ccc(F)c(F)c2O)C1 ZINC000716995176 874489605 /nfs/dbraw/zinc/48/96/05/874489605.db2.gz DWVBZAGAOFVPQT-LBPRGKRZSA-N 1 2 392.393 3.652 20 10 GHCDLO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776175355 875693266 /nfs/dbraw/zinc/69/32/66/875693266.db2.gz ZJYAXZXRDLAZHO-LKFCYVNXSA-N 1 2 395.135 3.804 20 10 GHCDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cccc(Br)c1O)C2 ZINC000179531132 877686129 /nfs/dbraw/zinc/68/61/29/877686129.db2.gz WISSJRIDNUXIPE-UHFFFAOYSA-N 1 2 375.266 3.671 20 10 GHCDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cccc(Br)c1O)C2 ZINC000179531132 877686132 /nfs/dbraw/zinc/68/61/32/877686132.db2.gz WISSJRIDNUXIPE-UHFFFAOYSA-N 1 2 375.266 3.671 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC000852426099 878311525 /nfs/dbraw/zinc/31/15/25/878311525.db2.gz HFYXCRBXGDUHCL-QFIPXVFZSA-N 1 2 381.520 3.921 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC000852426099 878311540 /nfs/dbraw/zinc/31/15/40/878311540.db2.gz HFYXCRBXGDUHCL-QFIPXVFZSA-N 1 2 381.520 3.921 20 10 GHCDLO Cc1nc(N2CC[NH+](Cc3cccc(Br)c3O)CC2)sc1C ZINC000093688967 912386878 /nfs/dbraw/zinc/38/68/78/912386878.db2.gz AKKWWVIHLPTNIM-UHFFFAOYSA-N 1 2 382.327 3.550 20 10 GHCDLO CCOc1cccc(C[NH2+][C@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)c1O ZINC000789582824 879081202 /nfs/dbraw/zinc/08/12/02/879081202.db2.gz ZOONGDGNJDFIAC-FXAWDEMLSA-N 1 2 383.488 3.932 20 10 GHCDLO C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)[C@@H]1CO ZINC001203565209 912465816 /nfs/dbraw/zinc/46/58/16/912465816.db2.gz WMERWMXRGZTOJX-NOZJJQNGSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)[C@@H]1CO ZINC001203565209 912465826 /nfs/dbraw/zinc/46/58/26/912465826.db2.gz WMERWMXRGZTOJX-NOZJJQNGSA-N 1 2 393.119 3.510 20 10 GHCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000776727468 879738021 /nfs/dbraw/zinc/73/80/21/879738021.db2.gz XOSXXBWUPVCNLE-APSNUPSMSA-N 1 2 386.454 3.533 20 10 GHCDLO O=C(NC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1)c1ccc(F)cc1 ZINC000792162091 880930534 /nfs/dbraw/zinc/93/05/34/880930534.db2.gz CBRDJLUMPWFGTF-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)n1-c1ccccn1 ZINC000914847031 884930179 /nfs/dbraw/zinc/93/01/79/884930179.db2.gz JZEOFNJDYCBMFU-UHFFFAOYSA-N 1 2 380.517 3.509 20 10 GHCDLO CC(C)(C)OC(=O)N1CCOC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1 ZINC001184013437 912970095 /nfs/dbraw/zinc/97/00/95/912970095.db2.gz RYWKQNBUHSSIIY-UHFFFAOYSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc(Br)c(F)cc3O)[C@H]2C1 ZINC000808723456 886705726 /nfs/dbraw/zinc/70/57/26/886705726.db2.gz OCRJQIMBTBEZTK-JYWREEKISA-N 1 2 399.304 3.591 20 10 GHCDLO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000809702057 887683901 /nfs/dbraw/zinc/68/39/01/887683901.db2.gz CICKFBFLPMBCKB-CPCISQLKSA-N 1 2 381.133 3.758 20 10 GHCDLO C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794822405 888239027 /nfs/dbraw/zinc/23/90/27/888239027.db2.gz BXRYKPDGDGSSFV-NUYPLMSZSA-N 1 2 387.402 3.756 20 10 GHCDLO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(Br)cc(Cl)c1O ZINC000810243790 888343467 /nfs/dbraw/zinc/34/34/67/888343467.db2.gz UPOBQIBIZZDHGK-JTQLQIEISA-N 1 2 397.700 3.687 20 10 GHCDLO C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000878300066 894177213 /nfs/dbraw/zinc/17/72/13/894177213.db2.gz AOSWREVXXHQQJM-ZACQAIPSSA-N 1 2 383.492 3.884 20 10 GHCDLO C[C@@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000878300062 894177266 /nfs/dbraw/zinc/17/72/66/894177266.db2.gz AOSWREVXXHQQJM-BRWVUGGUSA-N 1 2 383.492 3.884 20 10 GHCDLO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484724 894854134 /nfs/dbraw/zinc/85/41/34/894854134.db2.gz MNHYZVKAVZMGCL-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484724 894854143 /nfs/dbraw/zinc/85/41/43/894854143.db2.gz MNHYZVKAVZMGCL-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816499088 894879358 /nfs/dbraw/zinc/87/93/58/894879358.db2.gz DVIDIJRXCVKRRM-CQSZACIVSA-N 1 2 381.810 3.720 20 10 GHCDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816499088 894879375 /nfs/dbraw/zinc/87/93/75/894879375.db2.gz DVIDIJRXCVKRRM-CQSZACIVSA-N 1 2 381.810 3.720 20 10 GHCDLO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2F)C[C@@H](C)O1 ZINC000816535984 894905629 /nfs/dbraw/zinc/90/56/29/894905629.db2.gz ILDBIGMMMMHIRI-CHWSQXEVSA-N 1 2 380.410 3.713 20 10 GHCDLO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(Br)c(F)cc1O)C2 ZINC001144300040 901650894 /nfs/dbraw/zinc/65/08/94/901650894.db2.gz PIYBMJARAWDTIX-GOSISDBHSA-N 1 2 399.304 3.661 20 10 GHCDLO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cc(Br)c(F)cc1O)C2 ZINC001144300040 901650898 /nfs/dbraw/zinc/65/08/98/901650898.db2.gz PIYBMJARAWDTIX-GOSISDBHSA-N 1 2 399.304 3.661 20 10 GHCDLO CCOC(=O)C1(CC)CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144307926 901699473 /nfs/dbraw/zinc/69/94/73/901699473.db2.gz LVMYWFHGFNBXKJ-UHFFFAOYSA-N 1 2 388.277 3.849 20 10 GHCDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Br)c(F)cc3O)C2)nc1 ZINC001144307948 901701162 /nfs/dbraw/zinc/70/11/62/901701162.db2.gz MPPASYKAKTXBFI-CYBMUJFWSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Br)c(F)cc3O)C2)nc1 ZINC001144307948 901701172 /nfs/dbraw/zinc/70/11/72/901701172.db2.gz MPPASYKAKTXBFI-CYBMUJFWSA-N 1 2 381.245 3.651 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)CC1 ZINC000264537662 903181644 /nfs/dbraw/zinc/18/16/44/903181644.db2.gz LSYBOZOCARSRGC-UHFFFAOYSA-N 1 2 381.524 3.735 20 10 GHCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001147887620 903891409 /nfs/dbraw/zinc/89/14/09/903891409.db2.gz BOSBJAGRUZHBAQ-CALCHBBNSA-N 1 2 380.492 3.544 20 10 GHCDLO OCC1CCN(c2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccc(F)cc3)cc2)CC1 ZINC000187822900 908144133 /nfs/dbraw/zinc/14/41/33/908144133.db2.gz AWKNVCFEVNZHHS-QFIPXVFZSA-N 1 2 394.494 3.637 20 10 GHCDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2cc(OCC)ccc2O)n1 ZINC000191830749 908681114 /nfs/dbraw/zinc/68/11/14/908681114.db2.gz HJCWEXJANRTAKP-INIZCTEOSA-N 1 2 376.478 3.761 20 10 GHCDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2cc(OCC)ccc2O)n1 ZINC000191830749 908681122 /nfs/dbraw/zinc/68/11/22/908681122.db2.gz HJCWEXJANRTAKP-INIZCTEOSA-N 1 2 376.478 3.761 20 10 GHCDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000773809225 909440838 /nfs/dbraw/zinc/44/08/38/909440838.db2.gz MWBCXDXTUWOXIR-IEBWSBKVSA-N 1 2 391.874 3.819 20 10 GHCDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000773809225 909440843 /nfs/dbraw/zinc/44/08/43/909440843.db2.gz MWBCXDXTUWOXIR-IEBWSBKVSA-N 1 2 391.874 3.819 20 10 GHCDLO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(Br)c1O)NC(=O)OC(C)(C)C ZINC000775153894 915609978 /nfs/dbraw/zinc/60/99/78/915609978.db2.gz VTIYKKBXTQOHGB-RYUDHWBXSA-N 1 2 387.318 3.936 20 10 GHCDLO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Br)c1O ZINC000775153890 915610095 /nfs/dbraw/zinc/61/00/95/915610095.db2.gz VTIYKKBXTQOHGB-NEPJUHHUSA-N 1 2 387.318 3.936 20 10 GHCDLO FC(F)Oc1ccc(N2CCC([NH2+][C@H](c3nnc[nH]3)c3ccccc3)CC2)cc1 ZINC000368006896 922421313 /nfs/dbraw/zinc/42/13/13/922421313.db2.gz OVEVXQIJHRDIHM-IBGZPJMESA-N 1 2 399.445 3.754 20 10 GHCDLO C[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(N2CCOCC2)cc1Cl ZINC000903223123 922867908 /nfs/dbraw/zinc/86/79/08/922867908.db2.gz VGYCYJGDLDEKAH-AWEZNQCLSA-N 1 2 394.972 3.546 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+](C)Cc3cnn(-c4ccccc4)n3)cc2)CC1 ZINC000827407042 925450489 /nfs/dbraw/zinc/45/04/89/925450489.db2.gz YQXDXIFPPSIXDY-UHFFFAOYSA-N 1 2 391.519 3.515 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+](C)Cc3cnn(-c4ccccc4)n3)cc2)CC1 ZINC000827407042 925450495 /nfs/dbraw/zinc/45/04/95/925450495.db2.gz YQXDXIFPPSIXDY-UHFFFAOYSA-N 1 2 391.519 3.515 20 10 GHCDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753548910 929407388 /nfs/dbraw/zinc/40/73/88/929407388.db2.gz PLYPTSSJOFIGJR-OAQYLSRUSA-N 1 2 393.487 3.885 20 10 GHCDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753548910 929407395 /nfs/dbraw/zinc/40/73/95/929407395.db2.gz PLYPTSSJOFIGJR-OAQYLSRUSA-N 1 2 393.487 3.885 20 10 GHCDLO C[C@H](Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)c1cc([N+](=O)[O-])ccc1O ZINC000757657114 929761366 /nfs/dbraw/zinc/76/13/66/929761366.db2.gz LPJHEOFOBGCBGJ-AWEZNQCLSA-N 1 2 385.464 3.603 20 10 GHCDLO C[C@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1cc([N+](=O)[O-])ccc1O ZINC000757657114 929761373 /nfs/dbraw/zinc/76/13/73/929761373.db2.gz LPJHEOFOBGCBGJ-AWEZNQCLSA-N 1 2 385.464 3.603 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000781897188 931016406 /nfs/dbraw/zinc/01/64/06/931016406.db2.gz PONYZGDLSPEFRC-UHFFFAOYSA-N 1 2 381.236 3.533 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000781897188 931016416 /nfs/dbraw/zinc/01/64/16/931016416.db2.gz PONYZGDLSPEFRC-UHFFFAOYSA-N 1 2 381.236 3.533 20 10 GHCDLO COC(=O)C[N@H+](CC/C=C/c1cncc(OC)c1)Cc1cc(Cl)ccc1O ZINC000828062934 935571643 /nfs/dbraw/zinc/57/16/43/935571643.db2.gz VNCYOUPGYUPPNX-HWKANZROSA-N 1 2 390.867 3.528 20 10 GHCDLO COC(=O)C[N@@H+](CC/C=C/c1cncc(OC)c1)Cc1cc(Cl)ccc1O ZINC000828062934 935571646 /nfs/dbraw/zinc/57/16/46/935571646.db2.gz VNCYOUPGYUPPNX-HWKANZROSA-N 1 2 390.867 3.528 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](COc4ccccc4)C3)cc2)CC1 ZINC000829171236 935776448 /nfs/dbraw/zinc/77/64/48/935776448.db2.gz SQUDEQSLYNSXSG-XMMPIXPASA-N 1 2 396.531 3.582 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+]3CCO[C@@H](COc4ccccc4)C3)cc2)CC1 ZINC000829171236 935776449 /nfs/dbraw/zinc/77/64/49/935776449.db2.gz SQUDEQSLYNSXSG-XMMPIXPASA-N 1 2 396.531 3.582 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c1O ZINC001204340664 1032784009 /nfs/dbraw/zinc/78/40/09/1032784009.db2.gz XTXHMMBHXYOUAN-LBPRGKRZSA-N 1 2 382.298 3.887 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c1O ZINC001204340664 1032784021 /nfs/dbraw/zinc/78/40/21/1032784021.db2.gz XTXHMMBHXYOUAN-LBPRGKRZSA-N 1 2 382.298 3.887 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1ccc(Cl)cc1O)C[C@@H]2COc1cccnc1 ZINC001140467379 1021762832 /nfs/dbraw/zinc/76/28/32/1021762832.db2.gz OWBSYYJOSCELIU-MRXNPFEDSA-N 1 2 398.894 3.835 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1ccc(Cl)cc1O)C[C@@H]2COc1cccnc1 ZINC001140467379 1021762841 /nfs/dbraw/zinc/76/28/41/1021762841.db2.gz OWBSYYJOSCELIU-MRXNPFEDSA-N 1 2 398.894 3.835 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140581342 1022002112 /nfs/dbraw/zinc/00/21/12/1022002112.db2.gz PAAOFBLVXLFOTP-TZIWHRDSSA-N 1 2 390.430 3.516 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)Cc2c1cnn2CC ZINC001140922513 1022891323 /nfs/dbraw/zinc/89/13/23/1022891323.db2.gz SFMQSYJHARNAAL-MRXNPFEDSA-N 1 2 376.932 3.758 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)Cc2c1cnn2CC ZINC001140922513 1022891329 /nfs/dbraw/zinc/89/13/29/1022891329.db2.gz SFMQSYJHARNAAL-MRXNPFEDSA-N 1 2 376.932 3.758 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(c3ncc(C(F)(F)F)cn3)CC2)c(Cl)c1 ZINC001140925607 1022901972 /nfs/dbraw/zinc/90/19/72/1022901972.db2.gz SPZDLJANXQUPAR-UHFFFAOYSA-N 1 2 399.848 3.537 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1cc(F)ccc1I)CC2 ZINC001140986763 1023090923 /nfs/dbraw/zinc/09/09/23/1023090923.db2.gz AFFFQXDLXQTTAI-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1cc(F)ccc1I)CC2 ZINC001140986763 1023090928 /nfs/dbraw/zinc/09/09/28/1023090928.db2.gz AFFFQXDLXQTTAI-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1 ZINC000755528506 1023284773 /nfs/dbraw/zinc/28/47/73/1023284773.db2.gz DSZQHBXNGLAFDV-CQSZACIVSA-N 1 2 392.459 3.602 20 10 GHCDLO C[C@H]([NH2+]CCCN1CCCCCC1=O)c1cc(Br)c(F)cc1O ZINC000756372052 1023614113 /nfs/dbraw/zinc/61/41/13/1023614113.db2.gz NVEQPKVCEQWBGR-LBPRGKRZSA-N 1 2 387.293 3.737 20 10 GHCDLO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)C2 ZINC000756395078 1023626853 /nfs/dbraw/zinc/62/68/53/1023626853.db2.gz GPSIYLNKEUQLKZ-BXKDBHETSA-N 1 2 380.261 3.600 20 10 GHCDLO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000756563837 1023714549 /nfs/dbraw/zinc/71/45/49/1023714549.db2.gz OHYQUJFTLZYGLP-QWRGUYRKSA-N 1 2 378.694 3.512 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cc(Br)cc(Br)c1O ZINC000756776745 1023811234 /nfs/dbraw/zinc/81/12/34/1023811234.db2.gz CZRJYLREOVOLAL-MRVPVSSYSA-N 1 2 389.091 3.502 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)c(F)cc1O ZINC000756757090 1023802851 /nfs/dbraw/zinc/80/28/51/1023802851.db2.gz BRMGPQQLNLTSGY-MMPTUQATSA-N 1 2 390.318 3.999 20 10 GHCDLO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756774988 1023810259 /nfs/dbraw/zinc/81/02/59/1023810259.db2.gz FSSZWMDGSSELRH-XPUUQOCRSA-N 1 2 376.600 3.772 20 10 GHCDLO CC(C)(C)c1nc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cs1 ZINC000839146696 1025643657 /nfs/dbraw/zinc/64/36/57/1025643657.db2.gz RIWVMOJSVNJFNZ-UHFFFAOYSA-N 1 2 381.492 3.845 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC001139126535 1025939371 /nfs/dbraw/zinc/93/93/71/1025939371.db2.gz IYPNVNRPNGZGJU-UHFFFAOYSA-N 1 2 399.874 3.944 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC001139129677 1025941691 /nfs/dbraw/zinc/94/16/91/1025941691.db2.gz CISFNIDJBUWZAW-UHFFFAOYSA-N 1 2 391.467 3.871 20 10 GHCDLO COC(=O)c1cccc([C@H]2CCC[N@@H+]2Cc2c(O)ccc3c(C)cc(=O)oc32)c1 ZINC001139130170 1025943648 /nfs/dbraw/zinc/94/36/48/1025943648.db2.gz SZQLLNQBXCYLED-LJQANCHMSA-N 1 2 393.439 3.931 20 10 GHCDLO COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2c(O)ccc3c(C)cc(=O)oc32)c1 ZINC001139130170 1025943656 /nfs/dbraw/zinc/94/36/56/1025943656.db2.gz SZQLLNQBXCYLED-LJQANCHMSA-N 1 2 393.439 3.931 20 10 GHCDLO CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1c(O)ccc3c(C)cc(=O)oc31)CC2 ZINC001139133313 1025946047 /nfs/dbraw/zinc/94/60/47/1025946047.db2.gz GYGVQIFOERMUML-KRWDZBQOSA-N 1 2 399.487 3.752 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(c2c(C)cccc2C)CC1 ZINC001139133731 1025946670 /nfs/dbraw/zinc/94/66/70/1025946670.db2.gz NOPTXRZGDFSKPX-UHFFFAOYSA-N 1 2 378.472 3.746 20 10 GHCDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(O)cccc1Br ZINC001140100315 1026878165 /nfs/dbraw/zinc/87/81/65/1026878165.db2.gz KSRKZRYKJUFBOD-LBPRGKRZSA-N 1 2 385.302 3.596 20 10 GHCDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1c(O)cccc1Br ZINC001140100315 1026878170 /nfs/dbraw/zinc/87/81/70/1026878170.db2.gz KSRKZRYKJUFBOD-LBPRGKRZSA-N 1 2 385.302 3.596 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@@H+]2Cc1cc(Br)ccc1O ZINC001203639717 1027498084 /nfs/dbraw/zinc/49/80/84/1027498084.db2.gz IRVLPVIBPOUTDT-CABCVRRESA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@H+]2Cc1cc(Br)ccc1O ZINC001203639717 1027498090 /nfs/dbraw/zinc/49/80/90/1027498090.db2.gz IRVLPVIBPOUTDT-CABCVRRESA-N 1 2 397.313 3.738 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC[C@H]1CCCO1 ZINC001203675984 1027524899 /nfs/dbraw/zinc/52/48/99/1027524899.db2.gz FBZHDMJOQSDGQS-LLVKDONJSA-N 1 2 379.092 3.576 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 ZINC000840939573 1027972885 /nfs/dbraw/zinc/97/28/85/1027972885.db2.gz ZGBREDPEOYBFKO-UHFFFAOYSA-N 1 2 392.834 3.547 20 10 GHCDLO OCC1([C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)c2ccccc2)CCOCC1 ZINC000840973167 1028012172 /nfs/dbraw/zinc/01/21/72/1028012172.db2.gz ZYTMPUQTAJJOQL-LJQANCHMSA-N 1 2 379.859 3.805 20 10 GHCDLO CC(C)(C)OC(=O)NCC1(CC[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000404566222 1029929993 /nfs/dbraw/zinc/92/99/93/1029929993.db2.gz COUBEFXPAFQSED-UHFFFAOYSA-N 1 2 399.329 3.939 20 10 GHCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC001461759561 1069730005 /nfs/dbraw/zinc/73/00/05/1069730005.db2.gz HSEVDFRXEMPUCL-UHFFFAOYSA-N 1 2 394.219 3.908 20 10 GHCDLO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388104 1033485487 /nfs/dbraw/zinc/48/54/87/1033485487.db2.gz SHULKAKURQLMFH-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388104 1033485495 /nfs/dbraw/zinc/48/54/95/1033485495.db2.gz SHULKAKURQLMFH-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001207825117 1034603121 /nfs/dbraw/zinc/60/31/21/1034603121.db2.gz USASNLXRTICSJE-UHFFFAOYSA-N 1 2 397.313 3.516 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001231909880 1034984713 /nfs/dbraw/zinc/98/47/13/1034984713.db2.gz HABBDYQLEZMEKI-LAUBAEHRSA-N 1 2 388.895 3.891 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001231909880 1034984716 /nfs/dbraw/zinc/98/47/16/1034984716.db2.gz HABBDYQLEZMEKI-LAUBAEHRSA-N 1 2 388.895 3.891 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001231911167 1034985330 /nfs/dbraw/zinc/98/53/30/1034985330.db2.gz DUCTYANVRBZTGS-SIXWZSSISA-N 1 2 394.924 3.698 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001231911167 1034985334 /nfs/dbraw/zinc/98/53/34/1034985334.db2.gz DUCTYANVRBZTGS-SIXWZSSISA-N 1 2 394.924 3.698 20 10 GHCDLO COCC[N@H+](Cc1cccc(Cl)c1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231912748 1034987118 /nfs/dbraw/zinc/98/71/18/1034987118.db2.gz WVDJQOGYQRAVIK-UHFFFAOYSA-N 1 2 398.931 3.894 20 10 GHCDLO COCC[N@@H+](Cc1cccc(Cl)c1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231912748 1034987119 /nfs/dbraw/zinc/98/71/19/1034987119.db2.gz WVDJQOGYQRAVIK-UHFFFAOYSA-N 1 2 398.931 3.894 20 10 GHCDLO COc1ccnc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC001231972722 1035016240 /nfs/dbraw/zinc/01/62/40/1035016240.db2.gz MBCMJWAGDNCTCV-UHFFFAOYSA-N 1 2 389.499 3.991 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)cc1Cl ZINC001232265817 1037986262 /nfs/dbraw/zinc/98/62/62/1037986262.db2.gz QXJNLVURZRTEAW-UHFFFAOYSA-N 1 2 391.899 3.583 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)cc1Cl ZINC001232265817 1037986267 /nfs/dbraw/zinc/98/62/67/1037986267.db2.gz QXJNLVURZRTEAW-UHFFFAOYSA-N 1 2 391.899 3.583 20 10 GHCDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(Br)cc(C)c1O)CCO2 ZINC001462264194 1070130557 /nfs/dbraw/zinc/13/05/57/1070130557.db2.gz BZWZSCDLAYEBIF-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO COc1ccc2c(c1)C[N@H+](Cc1cc(Br)cc(C)c1O)CCO2 ZINC001462264194 1070130562 /nfs/dbraw/zinc/13/05/62/1070130562.db2.gz BZWZSCDLAYEBIF-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO CN(C)c1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(O)c1 ZINC001232841685 1038591900 /nfs/dbraw/zinc/59/19/00/1038591900.db2.gz OKPTWQGIKSKRSH-FQEVSTJZSA-N 1 2 393.453 3.707 20 10 GHCDLO CN(C)c1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(O)c1 ZINC001232841685 1038591905 /nfs/dbraw/zinc/59/19/05/1038591905.db2.gz OKPTWQGIKSKRSH-FQEVSTJZSA-N 1 2 393.453 3.707 20 10 GHCDLO COC(C[N@H+](Cc1ccccc1)Cc1c(O)cc(Br)cc1F)OC ZINC001233027250 1038778196 /nfs/dbraw/zinc/77/81/96/1038778196.db2.gz OPNFATLXDVZFKV-UHFFFAOYSA-N 1 2 398.272 3.915 20 10 GHCDLO COC(C[N@@H+](Cc1ccccc1)Cc1c(O)cc(Br)cc1F)OC ZINC001233027250 1038778209 /nfs/dbraw/zinc/77/82/09/1038778209.db2.gz OPNFATLXDVZFKV-UHFFFAOYSA-N 1 2 398.272 3.915 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001233027215 1038778243 /nfs/dbraw/zinc/77/82/43/1038778243.db2.gz NFFQZCGXIYATCT-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001233027215 1038778250 /nfs/dbraw/zinc/77/82/50/1038778250.db2.gz NFFQZCGXIYATCT-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO CC(C)OCc1ncn2c1C[N@H+](Cc1cccc(C(F)(F)F)c1O)CCC2 ZINC001233418062 1039277282 /nfs/dbraw/zinc/27/72/82/1039277282.db2.gz ROEWDEOZPMQJHA-UHFFFAOYSA-N 1 2 383.414 3.938 20 10 GHCDLO CC(C)OCc1ncn2c1C[N@@H+](Cc1cccc(C(F)(F)F)c1O)CCC2 ZINC001233418062 1039277298 /nfs/dbraw/zinc/27/72/98/1039277298.db2.gz ROEWDEOZPMQJHA-UHFFFAOYSA-N 1 2 383.414 3.938 20 10 GHCDLO Oc1c(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cccc1C(F)(F)F ZINC001233417843 1039277774 /nfs/dbraw/zinc/27/77/74/1039277774.db2.gz KNWMSWYGLCUTNQ-UHFFFAOYSA-N 1 2 377.366 3.874 20 10 GHCDLO COc1cccc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3O)CC2)c1 ZINC001233418466 1039279591 /nfs/dbraw/zinc/27/95/91/1039279591.db2.gz IDYRYQRSPRRYSB-UHFFFAOYSA-N 1 2 380.410 3.737 20 10 GHCDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Br)cc(F)c1O ZINC001235056694 1040546531 /nfs/dbraw/zinc/54/65/31/1040546531.db2.gz BZUSTZDMRPPEER-UHFFFAOYSA-N 1 2 382.229 3.697 20 10 GHCDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Br)cc(F)c1O ZINC001235056694 1040546548 /nfs/dbraw/zinc/54/65/48/1040546548.db2.gz BZUSTZDMRPPEER-UHFFFAOYSA-N 1 2 382.229 3.697 20 10 GHCDLO CC(C)N1CC2(CC1=O)CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001235076205 1040564809 /nfs/dbraw/zinc/56/48/09/1040564809.db2.gz TZVMGDQOLULRKQ-UHFFFAOYSA-N 1 2 399.304 3.517 20 10 GHCDLO Oc1c(Br)cc(F)cc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001235294044 1040767325 /nfs/dbraw/zinc/76/73/25/1040767325.db2.gz LWXVKPGOSJDNEA-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1)C1CCCC1 ZINC001235302996 1040775889 /nfs/dbraw/zinc/77/58/89/1040775889.db2.gz XVWVBMJOPAQXCP-UHFFFAOYSA-N 1 2 399.304 3.565 20 10 GHCDLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235309894 1040783076 /nfs/dbraw/zinc/78/30/76/1040783076.db2.gz YKJQFIQLSPZQAB-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235309894 1040783096 /nfs/dbraw/zinc/78/30/96/1040783096.db2.gz YKJQFIQLSPZQAB-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO Oc1cc(F)cc(F)c1CN1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC001235790596 1041284304 /nfs/dbraw/zinc/28/43/04/1041284304.db2.gz IAKPMHMUVOBCAD-MRXNPFEDSA-N 1 2 383.236 3.579 20 10 GHCDLO COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)cc1Br ZINC001236744430 1041869886 /nfs/dbraw/zinc/86/98/86/1041869886.db2.gz BUBDBUJEBBTAFH-UHFFFAOYSA-N 1 2 395.272 3.625 20 10 GHCDLO Cc1ccc([C@@]2(C)C[N@H+](Cc3cc(O)c(Br)cc3O)CCO2)cc1 ZINC001236770250 1041882104 /nfs/dbraw/zinc/88/21/04/1041882104.db2.gz FQRQDTKHCQBMBB-LJQANCHMSA-N 1 2 392.293 3.916 20 10 GHCDLO Cc1ccc([C@@]2(C)C[N@@H+](Cc3cc(O)c(Br)cc3O)CCO2)cc1 ZINC001236770250 1041882106 /nfs/dbraw/zinc/88/21/06/1041882106.db2.gz FQRQDTKHCQBMBB-LJQANCHMSA-N 1 2 392.293 3.916 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC001236795612 1041900825 /nfs/dbraw/zinc/90/08/25/1041900825.db2.gz IEICULFCHZVGRI-UHFFFAOYSA-N 1 2 395.286 3.792 20 10 GHCDLO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c(O)c1Cl ZINC001236806582 1041907366 /nfs/dbraw/zinc/90/73/66/1041907366.db2.gz CRWLMSHCQVKPKC-UHFFFAOYSA-N 1 2 389.883 3.840 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(O)c1Cl ZINC001236806835 1041908061 /nfs/dbraw/zinc/90/80/61/1041908061.db2.gz JRKQHTFXLCYVLS-HIFRSBDPSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(O)c1Cl ZINC001236806835 1041908062 /nfs/dbraw/zinc/90/80/62/1041908062.db2.gz JRKQHTFXLCYVLS-HIFRSBDPSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c(O)c1Cl ZINC001236809383 1041909828 /nfs/dbraw/zinc/90/98/28/1041909828.db2.gz LLTNEDLLNBFAKS-MRXNPFEDSA-N 1 2 386.879 3.675 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c(O)c1Cl ZINC001236809383 1041909832 /nfs/dbraw/zinc/90/98/32/1041909832.db2.gz LLTNEDLLNBFAKS-MRXNPFEDSA-N 1 2 386.879 3.675 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCN(c2cc(Cl)ccn2)CC1 ZINC001237123850 1042051914 /nfs/dbraw/zinc/05/19/14/1042051914.db2.gz UAFBZOZGDZBPKU-UHFFFAOYSA-N 1 2 387.789 3.661 20 10 GHCDLO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001237126038 1042054458 /nfs/dbraw/zinc/05/44/58/1042054458.db2.gz ZKADAYYSESXVFE-HLIPFELVSA-N 1 2 394.874 3.642 20 10 GHCDLO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001237126038 1042054466 /nfs/dbraw/zinc/05/44/66/1042054466.db2.gz ZKADAYYSESXVFE-HLIPFELVSA-N 1 2 394.874 3.642 20 10 GHCDLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001237126038 1042054472 /nfs/dbraw/zinc/05/44/72/1042054472.db2.gz ZKADAYYSESXVFE-HLIPFELVSA-N 1 2 394.874 3.642 20 10 GHCDLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001237126038 1042054477 /nfs/dbraw/zinc/05/44/77/1042054477.db2.gz ZKADAYYSESXVFE-HLIPFELVSA-N 1 2 394.874 3.642 20 10 GHCDLO COc1ccccc1C(=O)NC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237128251 1042054993 /nfs/dbraw/zinc/05/49/93/1042054993.db2.gz NTWMZUFRHQENSB-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cc(Cl)cc(Cl)c2O)c1 ZINC001237438029 1042207935 /nfs/dbraw/zinc/20/79/35/1042207935.db2.gz ZJWWRMFOKFDKRV-KRWDZBQOSA-N 1 2 395.286 3.632 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237619600 1042286251 /nfs/dbraw/zinc/28/62/51/1042286251.db2.gz AKEDIOQSPDRHTG-QMMMGPOBSA-N 1 2 379.741 3.966 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237619600 1042286255 /nfs/dbraw/zinc/28/62/55/1042286255.db2.gz AKEDIOQSPDRHTG-QMMMGPOBSA-N 1 2 379.741 3.966 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001237620647 1042287695 /nfs/dbraw/zinc/28/76/95/1042287695.db2.gz WCWDKABXCFMPPZ-UHFFFAOYSA-N 1 2 384.842 3.638 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001237620647 1042287705 /nfs/dbraw/zinc/28/77/05/1042287705.db2.gz WCWDKABXCFMPPZ-UHFFFAOYSA-N 1 2 384.842 3.638 20 10 GHCDLO O=c1oc2ccccc2n1C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237621171 1042288448 /nfs/dbraw/zinc/28/84/48/1042288448.db2.gz WDNOKHWVOXMKFD-UHFFFAOYSA-N 1 2 376.815 3.930 20 10 GHCDLO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC001237622221 1042288835 /nfs/dbraw/zinc/28/88/35/1042288835.db2.gz OVMQQNQGRJIHDC-ZWKOTPCHSA-N 1 2 376.859 3.808 20 10 GHCDLO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC001237622221 1042288842 /nfs/dbraw/zinc/28/88/42/1042288842.db2.gz OVMQQNQGRJIHDC-ZWKOTPCHSA-N 1 2 376.859 3.808 20 10 GHCDLO Cc1nc(CC[N@@H+](C)Cc2cc(Br)cc(C(F)(F)F)c2O)no1 ZINC001237783558 1042367405 /nfs/dbraw/zinc/36/74/05/1042367405.db2.gz KKNIWHPPWYRRMA-UHFFFAOYSA-N 1 2 394.191 3.539 20 10 GHCDLO Cc1nc(CC[N@H+](C)Cc2cc(Br)cc(C(F)(F)F)c2O)no1 ZINC001237783558 1042367409 /nfs/dbraw/zinc/36/74/09/1042367409.db2.gz KKNIWHPPWYRRMA-UHFFFAOYSA-N 1 2 394.191 3.539 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237801595 1042377390 /nfs/dbraw/zinc/37/73/90/1042377390.db2.gz WGJNLWBZTMOLPT-LRDDRELGSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237801595 1042377392 /nfs/dbraw/zinc/37/73/92/1042377392.db2.gz WGJNLWBZTMOLPT-LRDDRELGSA-N 1 2 381.904 3.738 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1)c1ccc(F)cc1 ZINC001237803131 1042379256 /nfs/dbraw/zinc/37/92/56/1042379256.db2.gz QQQUCIGWVLWJIX-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO Oc1cc(Cl)c(F)cc1CN1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001237937194 1042428227 /nfs/dbraw/zinc/42/82/27/1042428227.db2.gz NFEBMYBUISYEHG-MLGOLLRUSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1cc(Cl)c(F)cc1CN1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001237937194 1042428229 /nfs/dbraw/zinc/42/82/29/1042428229.db2.gz NFEBMYBUISYEHG-MLGOLLRUSA-N 1 2 381.904 3.738 20 10 GHCDLO CCN(Cc1cc(Br)ccc1O)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001294684803 1044762434 /nfs/dbraw/zinc/76/24/34/1044762434.db2.gz JUEIKHIYAZVUBN-UHFFFAOYSA-N 1 2 388.265 3.773 20 10 GHCDLO Cc1cc(CC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC001261727374 1046067978 /nfs/dbraw/zinc/06/79/78/1046067978.db2.gz QUCZPQDOGWRGHW-FQEVSTJZSA-N 1 2 390.531 3.851 20 10 GHCDLO Oc1c(CN2CC3(C2)C[NH+](CCCC(F)(F)F)C3)cccc1C(F)(F)F ZINC001279506223 1047828512 /nfs/dbraw/zinc/82/85/12/1047828512.db2.gz VSIWIARHBYJQNB-UHFFFAOYSA-N 1 2 382.348 3.871 20 10 GHCDLO O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001279685199 1047914984 /nfs/dbraw/zinc/91/49/84/1047914984.db2.gz XBXHHFCVNGXEQZ-OKILXGFUSA-N 1 2 394.899 3.664 20 10 GHCDLO O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001279685199 1047914990 /nfs/dbraw/zinc/91/49/90/1047914990.db2.gz XBXHHFCVNGXEQZ-OKILXGFUSA-N 1 2 394.899 3.664 20 10 GHCDLO CC(C)NC(=O)N1CCC12C[NH+](Cc1cc(Cl)c(C(C)(C)C)cc1O)C2 ZINC001279941040 1047995944 /nfs/dbraw/zinc/99/59/44/1047995944.db2.gz RPESIQHWHURRND-UHFFFAOYSA-N 1 2 379.932 3.721 20 10 GHCDLO Cc1cc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC001305771883 1048240520 /nfs/dbraw/zinc/24/05/20/1048240520.db2.gz RBGJRPHYVOCZAY-UHFFFAOYSA-N 1 2 380.467 3.987 20 10 GHCDLO Cc1ccc(CN(CC[N@H+]2CCOC[C@@H]2C)c2ccc3c(c2)OCCO3)s1 ZINC001307541790 1049385088 /nfs/dbraw/zinc/38/50/88/1049385088.db2.gz PDXFLTLSGNHIMW-INIZCTEOSA-N 1 2 388.533 3.555 20 10 GHCDLO Cc1ccc(CN(CC[N@@H+]2CCOC[C@@H]2C)c2ccc3c(c2)OCCO3)s1 ZINC001307541790 1049385102 /nfs/dbraw/zinc/38/51/02/1049385102.db2.gz PDXFLTLSGNHIMW-INIZCTEOSA-N 1 2 388.533 3.555 20 10 GHCDLO C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC001307590207 1049429116 /nfs/dbraw/zinc/42/91/16/1049429116.db2.gz SPYHPICZRYAVAG-BZUAXINKSA-N 1 2 390.483 3.767 20 10 GHCDLO C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC001307590207 1049429120 /nfs/dbraw/zinc/42/91/20/1049429120.db2.gz SPYHPICZRYAVAG-BZUAXINKSA-N 1 2 390.483 3.767 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(=O)Nc1ccccc1 ZINC001308262421 1049930020 /nfs/dbraw/zinc/93/00/20/1049930020.db2.gz VKAHLTPFCREPKA-JTQLQIEISA-N 1 2 383.673 3.925 20 10 GHCDLO COc1cccc([C@H]2CN(C(=O)c3sccc3-n3c(C)ccc3C)CC[NH2+]2)c1 ZINC001454470628 1061794243 /nfs/dbraw/zinc/79/42/43/1061794243.db2.gz IFGWETMMIOHMNG-LJQANCHMSA-N 1 2 395.528 3.951 20 10 GHCDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001457284829 1063073356 /nfs/dbraw/zinc/07/33/56/1063073356.db2.gz RJBDNFLEWGJLEA-HNNXBMFYSA-N 1 2 382.468 3.820 20 10 GHCDLO CCCC[C@@](C)(CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001474598969 1074477492 /nfs/dbraw/zinc/47/74/92/1074477492.db2.gz KXEMTTJPDBTQQD-AWEZNQCLSA-N 1 2 395.135 3.948 20 10 GHCDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC001474654811 1074501771 /nfs/dbraw/zinc/50/17/71/1074501771.db2.gz ODDIFDSCEDOKQW-UHFFFAOYSA-N 1 2 376.859 3.888 20 10 GHCDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255013433 835861241 /nfs/dbraw/zinc/86/12/41/835861241.db2.gz LYGCAGUJKCHHAN-UHFFFAOYSA-N 1 2 390.447 3.786 20 10 GHCDLO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001167298734 837876324 /nfs/dbraw/zinc/87/63/24/837876324.db2.gz ZDOWNWBRQQPVPS-INIZCTEOSA-N 1 2 390.483 3.911 20 10 GHCDLO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001167298734 837876329 /nfs/dbraw/zinc/87/63/29/837876329.db2.gz ZDOWNWBRQQPVPS-INIZCTEOSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Br)cc(F)c1O ZINC000363862293 839312142 /nfs/dbraw/zinc/31/21/42/839312142.db2.gz YOJOBGBJLPMIOI-NSHDSACASA-N 1 2 391.244 3.725 20 10 GHCDLO COCCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588541076 848076187 /nfs/dbraw/zinc/07/61/87/848076187.db2.gz WSNZRTOTXSJLAF-FQEVSTJZSA-N 1 2 382.464 3.778 20 10 GHCDLO COCCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588541076 848076195 /nfs/dbraw/zinc/07/61/95/848076195.db2.gz WSNZRTOTXSJLAF-FQEVSTJZSA-N 1 2 382.464 3.778 20 10 GHCDLO C[C@@H]1CN(c2ccc(CNc3cc(N4CCCCC4)nc[nH+]3)cc2F)C[C@@H](C)O1 ZINC000731978942 861993580 /nfs/dbraw/zinc/99/35/80/861993580.db2.gz DBTUBIQOHOYUBQ-IAGOWNOFSA-N 1 2 399.514 3.832 20 10 GHCDLO C[C@@H]1CN(c2ccc(CNc3cc(N4CCCCC4)[nH+]cn3)cc2F)C[C@@H](C)O1 ZINC000731978942 861993589 /nfs/dbraw/zinc/99/35/89/861993589.db2.gz DBTUBIQOHOYUBQ-IAGOWNOFSA-N 1 2 399.514 3.832 20 10 GHCDLO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000164494653 854041616 /nfs/dbraw/zinc/04/16/16/854041616.db2.gz LSGQNIJVYYAVAT-HKUYNNGSSA-N 1 2 391.874 3.772 20 10 GHCDLO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000164494653 854041621 /nfs/dbraw/zinc/04/16/21/854041621.db2.gz LSGQNIJVYYAVAT-HKUYNNGSSA-N 1 2 391.874 3.772 20 10 GHCDLO Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000058133526 856180927 /nfs/dbraw/zinc/18/09/27/856180927.db2.gz BAGNTJBUVDHURP-UHFFFAOYSA-N 1 2 378.451 3.591 20 10 GHCDLO C[C@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)c1ccc(N(C)C)cc1 ZINC000907492426 857660443 /nfs/dbraw/zinc/66/04/43/857660443.db2.gz KIFOHNSGKFLJHY-KRWDZBQOSA-N 1 2 377.492 3.552 20 10 GHCDLO COc1cc(N2CC[NH+](Cc3cnc(C(C)C)s3)CC2)cc(OC)c1OC ZINC000761219415 859475594 /nfs/dbraw/zinc/47/55/94/859475594.db2.gz PTHAEOCRCQXUFX-UHFFFAOYSA-N 1 2 391.537 3.615 20 10 GHCDLO Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764853348 859645213 /nfs/dbraw/zinc/64/52/13/859645213.db2.gz ACTLMCICLOLYEQ-MRXNPFEDSA-N 1 2 390.915 3.595 20 10 GHCDLO Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764853348 859645228 /nfs/dbraw/zinc/64/52/28/859645228.db2.gz ACTLMCICLOLYEQ-MRXNPFEDSA-N 1 2 390.915 3.595 20 10 GHCDLO Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764853348 859645234 /nfs/dbraw/zinc/64/52/34/859645234.db2.gz ACTLMCICLOLYEQ-MRXNPFEDSA-N 1 2 390.915 3.595 20 10 GHCDLO Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764853348 859645244 /nfs/dbraw/zinc/64/52/44/859645244.db2.gz ACTLMCICLOLYEQ-MRXNPFEDSA-N 1 2 390.915 3.595 20 10 GHCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccccc2F)ccc1=O ZINC000727420451 860089369 /nfs/dbraw/zinc/08/93/69/860089369.db2.gz OBICMSMDYQNKJU-UHFFFAOYSA-N 1 2 394.494 3.984 20 10 GHCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccccc2F)ccc1=O ZINC000727420451 860089381 /nfs/dbraw/zinc/08/93/81/860089381.db2.gz OBICMSMDYQNKJU-UHFFFAOYSA-N 1 2 394.494 3.984 20 10 GHCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840478668 860558781 /nfs/dbraw/zinc/55/87/81/860558781.db2.gz ASAJMCDPVAHFHM-IBGZPJMESA-N 1 2 399.583 3.873 20 10 GHCDLO CCCc1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)s1 ZINC000856718389 881684897 /nfs/dbraw/zinc/68/48/97/881684897.db2.gz LHPAHHWSUCGLTP-DTQAZKPQSA-N 1 2 396.603 3.624 20 10 GHCDLO Oc1c(I)cccc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC001237778855 864299153 /nfs/dbraw/zinc/29/91/53/864299153.db2.gz CCZHFMIGHQPCAY-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1c(I)cccc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC001237778855 864299166 /nfs/dbraw/zinc/29/91/66/864299166.db2.gz CCZHFMIGHQPCAY-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCC[C@H](CO)C4)nc[nH+]3)cc2)CC1 ZINC000108350147 866523593 /nfs/dbraw/zinc/52/35/93/866523593.db2.gz KCPXOROQGZHEOQ-FQEVSTJZSA-N 1 2 395.551 3.534 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCC[C@H](CO)C4)[nH+]cn3)cc2)CC1 ZINC000108350147 866523601 /nfs/dbraw/zinc/52/36/01/866523601.db2.gz KCPXOROQGZHEOQ-FQEVSTJZSA-N 1 2 395.551 3.534 20 10 GHCDLO C[C@@H]1CCCN(c2cc(NCc3cc(Br)ccc3O)[nH+]cn2)C1 ZINC000804827426 867985426 /nfs/dbraw/zinc/98/54/26/867985426.db2.gz RLPYSVAGQHTPCH-GFCCVEGCSA-N 1 2 377.286 3.793 20 10 GHCDLO C[C@@H]1CCCN(c2cc(NCc3cc(Br)ccc3O)nc[nH+]2)C1 ZINC000804827426 867985577 /nfs/dbraw/zinc/98/55/77/867985577.db2.gz RLPYSVAGQHTPCH-GFCCVEGCSA-N 1 2 377.286 3.793 20 10 GHCDLO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)Nc3c[nH+]cn3C)cc2)cc1 ZINC001194192863 871548112 /nfs/dbraw/zinc/54/81/12/871548112.db2.gz SPJJBDXRZNMRCS-QZQOTICOSA-N 1 2 384.465 3.702 20 10 GHCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000775657679 872425078 /nfs/dbraw/zinc/42/50/78/872425078.db2.gz GFXGYDDRAXYZKI-ZDUSSCGKSA-N 1 2 389.801 3.936 20 10 GHCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000775657679 872425086 /nfs/dbraw/zinc/42/50/86/872425086.db2.gz GFXGYDDRAXYZKI-ZDUSSCGKSA-N 1 2 389.801 3.936 20 10 GHCDLO COC1CCN(c2ccc(C[N@@H+]3Cc4ccccc4NC(=O)[C@@H]3C)cc2)CC1 ZINC000857920955 882638822 /nfs/dbraw/zinc/63/88/22/882638822.db2.gz GRBWNJLGGQBZFG-KRWDZBQOSA-N 1 2 379.504 3.645 20 10 GHCDLO COC1CCN(c2ccc(C[N@H+]3Cc4ccccc4NC(=O)[C@@H]3C)cc2)CC1 ZINC000857920955 882638830 /nfs/dbraw/zinc/63/88/30/882638830.db2.gz GRBWNJLGGQBZFG-KRWDZBQOSA-N 1 2 379.504 3.645 20 10 GHCDLO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768818788 873603416 /nfs/dbraw/zinc/60/34/16/873603416.db2.gz XWOOXOXOMCDIHZ-HNNXBMFYSA-N 1 2 398.894 3.974 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(Br)c(F)cc1O ZINC000528005044 873876566 /nfs/dbraw/zinc/87/65/66/873876566.db2.gz SHHHHCCRZFRMIR-QLJPJBMISA-N 1 2 393.256 3.771 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[N@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000769525206 874132292 /nfs/dbraw/zinc/13/22/92/874132292.db2.gz VOGHTCRDFHETTK-UHFFFAOYSA-N 1 2 386.561 3.722 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000769525206 874132300 /nfs/dbraw/zinc/13/23/00/874132300.db2.gz VOGHTCRDFHETTK-UHFFFAOYSA-N 1 2 386.561 3.722 20 10 GHCDLO COc1ccc([C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)N(C)C)cc1OC ZINC001198927913 874711226 /nfs/dbraw/zinc/71/12/26/874711226.db2.gz WKQNSEZXYGNFJW-INIZCTEOSA-N 1 2 382.863 3.594 20 10 GHCDLO Cc1nc(C[NH2+]Cc2cc(Br)cc(Br)c2O)cs1 ZINC001199118812 874827591 /nfs/dbraw/zinc/82/75/91/874827591.db2.gz RFPDVYWELKYGDL-UHFFFAOYSA-N 1 2 392.116 3.972 20 10 GHCDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000771639398 875375583 /nfs/dbraw/zinc/37/55/83/875375583.db2.gz XYKYSCQBZHADMJ-SFHVURJKSA-N 1 2 395.503 3.941 20 10 GHCDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000771639398 875375593 /nfs/dbraw/zinc/37/55/93/875375593.db2.gz XYKYSCQBZHADMJ-SFHVURJKSA-N 1 2 395.503 3.941 20 10 GHCDLO COCCC1(C[NH2+]Cc2cc(Br)cc(Br)c2O)CC1 ZINC001201097713 875497152 /nfs/dbraw/zinc/49/71/52/875497152.db2.gz WCWXYCABQOFKCS-UHFFFAOYSA-N 1 2 393.119 3.824 20 10 GHCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000776173639 875691669 /nfs/dbraw/zinc/69/16/69/875691669.db2.gz BKGUPQDVEOFKTH-GOSISDBHSA-N 1 2 381.303 3.862 20 10 GHCDLO CN1CCO[C@@H]([C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)c2ccc(Cl)cc2)C1 ZINC000776253210 876032978 /nfs/dbraw/zinc/03/29/78/876032978.db2.gz LCZCHLLUNQJHLK-QZTJIDSGSA-N 1 2 399.293 4.000 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)c(F)cc1O ZINC000850554692 877021441 /nfs/dbraw/zinc/02/14/41/877021441.db2.gz FLCZKIPSQAHILV-MNOVXSKESA-N 1 2 387.293 3.591 20 10 GHCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787334341 877323636 /nfs/dbraw/zinc/32/36/36/877323636.db2.gz INCOETXVGXFVKZ-DLVCFXQMSA-N 1 2 391.475 3.626 20 10 GHCDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787334341 877323641 /nfs/dbraw/zinc/32/36/41/877323641.db2.gz INCOETXVGXFVKZ-DLVCFXQMSA-N 1 2 391.475 3.626 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000179990639 878330520 /nfs/dbraw/zinc/33/05/20/878330520.db2.gz GAGHUVXCBGLTEN-UHFFFAOYSA-N 1 2 385.302 3.598 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000179990639 878330534 /nfs/dbraw/zinc/33/05/34/878330534.db2.gz GAGHUVXCBGLTEN-UHFFFAOYSA-N 1 2 385.302 3.598 20 10 GHCDLO Cc1nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Br)c(C)[nH+]1 ZINC000853232384 878913788 /nfs/dbraw/zinc/91/37/88/878913788.db2.gz BIHMHCFXIIUYNJ-GFCCVEGCSA-N 1 2 391.313 3.866 20 10 GHCDLO CCc1ccc(CNC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000111232725 878957824 /nfs/dbraw/zinc/95/78/24/878957824.db2.gz NQLHYCGWLNDOSQ-UHFFFAOYSA-N 1 2 384.501 3.928 20 10 GHCDLO CCc1ccc(CNC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)s1 ZINC000111232725 878957836 /nfs/dbraw/zinc/95/78/36/878957836.db2.gz NQLHYCGWLNDOSQ-UHFFFAOYSA-N 1 2 384.501 3.928 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Br)cc(F)c1O ZINC000186136524 883615893 /nfs/dbraw/zinc/61/58/93/883615893.db2.gz CGCIUTLVUOVNNM-KANYHAFZSA-N 1 2 390.318 3.999 20 10 GHCDLO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc(Cl)c1O ZINC000806133661 884353251 /nfs/dbraw/zinc/35/32/51/884353251.db2.gz PLBGIRWYBGBKFE-PXAZEXFGSA-N 1 2 382.913 3.756 20 10 GHCDLO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](CC)c3cccc(Cl)c3O)C2)nc1 ZINC000806157027 884412567 /nfs/dbraw/zinc/41/25/67/884412567.db2.gz AHYDIKAXJOGGMP-KRWDZBQOSA-N 1 2 389.883 3.547 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000153409824 885193751 /nfs/dbraw/zinc/19/37/51/885193751.db2.gz PCIUMVKHNMVTRV-UZLBHIALSA-N 1 2 387.503 3.661 20 10 GHCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1F ZINC000862217370 886215246 /nfs/dbraw/zinc/21/52/46/886215246.db2.gz BPNBGRNSWKPUGU-UHFFFAOYSA-N 1 2 379.495 3.645 20 10 GHCDLO CN(C)c1cc(F)c(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1F ZINC000862217370 886215262 /nfs/dbraw/zinc/21/52/62/886215262.db2.gz BPNBGRNSWKPUGU-UHFFFAOYSA-N 1 2 379.495 3.645 20 10 GHCDLO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000809723641 887747832 /nfs/dbraw/zinc/74/78/32/887747832.db2.gz ZHSMSKGQOKSZLO-GFCCVEGCSA-N 1 2 382.785 3.608 20 10 GHCDLO Cc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000015571777 888288940 /nfs/dbraw/zinc/28/89/40/888288940.db2.gz XVRHMBVYZVDROI-UHFFFAOYSA-N 1 2 378.476 3.514 20 10 GHCDLO Cc1ccc(-c2noc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000015571777 888288955 /nfs/dbraw/zinc/28/89/55/888288955.db2.gz XVRHMBVYZVDROI-UHFFFAOYSA-N 1 2 378.476 3.514 20 10 GHCDLO Brc1cncc(Br)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000811477112 889664488 /nfs/dbraw/zinc/66/44/88/889664488.db2.gz GAESDWHSPRIPLB-UHFFFAOYSA-N 1 2 398.098 3.831 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000873862382 891849680 /nfs/dbraw/zinc/84/96/80/891849680.db2.gz PJGLYBDTLDGPSY-KRWDZBQOSA-N 1 2 382.430 3.881 20 10 GHCDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)CC2)cc1 ZINC000917453664 892021492 /nfs/dbraw/zinc/02/14/92/892021492.db2.gz KSCQBEWOUFJHEQ-UHFFFAOYSA-N 1 2 396.531 3.916 20 10 GHCDLO COc1c(O)c(C[N@H+](C)Cc2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000774827631 913628514 /nfs/dbraw/zinc/62/85/14/913628514.db2.gz RLUYXTBLYYNDBX-UHFFFAOYSA-N 1 2 386.326 3.840 20 10 GHCDLO COc1c(O)c(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000774827631 913628533 /nfs/dbraw/zinc/62/85/33/913628533.db2.gz RLUYXTBLYYNDBX-UHFFFAOYSA-N 1 2 386.326 3.840 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O)(Cc3nc(C)cs3)CC2)c1O ZINC000878926839 894727346 /nfs/dbraw/zinc/72/73/46/894727346.db2.gz OQNGKZSLDRYTAF-UHFFFAOYSA-N 1 2 394.924 3.583 20 10 GHCDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)c(C)o1 ZINC000816502473 894880012 /nfs/dbraw/zinc/88/00/12/894880012.db2.gz CFMQNHJZKYPROY-UHFFFAOYSA-N 1 2 380.847 3.789 20 10 GHCDLO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000816516807 894893628 /nfs/dbraw/zinc/89/36/28/894893628.db2.gz RJBFWSVWQYHVLE-UHFFFAOYSA-N 1 2 376.815 3.700 20 10 GHCDLO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000816516807 894893644 /nfs/dbraw/zinc/89/36/44/894893644.db2.gz RJBFWSVWQYHVLE-UHFFFAOYSA-N 1 2 376.815 3.700 20 10 GHCDLO CCc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](C)c3ccccc3O)s2)cc1 ZINC000879651217 895203207 /nfs/dbraw/zinc/20/32/07/895203207.db2.gz NENFBMBTYFRIRV-ZDUSSCGKSA-N 1 2 382.489 3.909 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000883070629 897251111 /nfs/dbraw/zinc/25/11/11/897251111.db2.gz XPPNHZRXVIVGCB-CYBMUJFWSA-N 1 2 390.318 3.828 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000883136197 897313270 /nfs/dbraw/zinc/31/32/70/897313270.db2.gz XBZZJIGLRLKWID-GOEBONIOSA-N 1 2 381.245 3.699 20 10 GHCDLO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883140772 897317570 /nfs/dbraw/zinc/31/75/70/897317570.db2.gz DZVWMJHHRCNMTF-JOCHJYFZSA-N 1 2 389.503 3.724 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000042290306 897398502 /nfs/dbraw/zinc/39/85/02/897398502.db2.gz QCDINBSGTYQUPA-YLJYHZDGSA-N 1 2 399.560 3.631 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001144298807 901646924 /nfs/dbraw/zinc/64/69/24/901646924.db2.gz JNXYSQHVTUFWGJ-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299809 901650718 /nfs/dbraw/zinc/65/07/18/901650718.db2.gz ITZBKYUNJLFCLY-UHFFFAOYSA-N 1 2 388.277 3.848 20 10 GHCDLO Oc1cc(F)c(Br)cc1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001144308829 901703110 /nfs/dbraw/zinc/70/31/10/901703110.db2.gz ZBDLJHVCHFWOIN-HNNXBMFYSA-N 1 2 393.247 3.599 20 10 GHCDLO CC[N@H+](Cc1nccn1CC(F)(F)F)Cc1cc(Br)ccc1O ZINC000174426489 905268543 /nfs/dbraw/zinc/26/85/43/905268543.db2.gz DSPVIXCEZZLHRG-UHFFFAOYSA-N 1 2 392.219 3.936 20 10 GHCDLO CC[N@@H+](Cc1nccn1CC(F)(F)F)Cc1cc(Br)ccc1O ZINC000174426489 905268564 /nfs/dbraw/zinc/26/85/64/905268564.db2.gz DSPVIXCEZZLHRG-UHFFFAOYSA-N 1 2 392.219 3.936 20 10 GHCDLO CCOc1ccc(-c2cn(C3C[NH+](Cc4cc(Cl)ccc4O)C3)nn2)cc1 ZINC000779613147 907884701 /nfs/dbraw/zinc/88/47/01/907884701.db2.gz GLQNVBVVGYRKCZ-UHFFFAOYSA-N 1 2 384.867 3.760 20 10 GHCDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001177128964 908401919 /nfs/dbraw/zinc/40/19/19/908401919.db2.gz TVRKPTIBJURGKN-QGZVFWFLSA-N 1 2 389.927 3.588 20 10 GHCDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001177128964 908401927 /nfs/dbraw/zinc/40/19/27/908401927.db2.gz TVRKPTIBJURGKN-QGZVFWFLSA-N 1 2 389.927 3.588 20 10 GHCDLO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl ZINC001179689321 909648140 /nfs/dbraw/zinc/64/81/40/909648140.db2.gz KWJNFIWTXJAHLH-KZJSRBBCSA-N 1 2 395.286 3.837 20 10 GHCDLO Cc1noc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)n1 ZINC001180157552 909994808 /nfs/dbraw/zinc/99/48/08/909994808.db2.gz KOVPIPJNEMZIDX-JTQLQIEISA-N 1 2 386.677 3.879 20 10 GHCDLO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)n1 ZINC001180157552 909994826 /nfs/dbraw/zinc/99/48/26/909994826.db2.gz KOVPIPJNEMZIDX-JTQLQIEISA-N 1 2 386.677 3.879 20 10 GHCDLO COc1ccc(Cl)c(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)c1 ZINC001137265492 924108825 /nfs/dbraw/zinc/10/88/25/924108825.db2.gz HZVWFJVYJANMSH-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)s1 ZINC000827941461 926346598 /nfs/dbraw/zinc/34/65/98/926346598.db2.gz FBZJCFYGYOQMGC-JTQLQIEISA-N 1 2 384.860 3.807 20 10 GHCDLO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)s1 ZINC000827941461 926346608 /nfs/dbraw/zinc/34/66/08/926346608.db2.gz FBZJCFYGYOQMGC-JTQLQIEISA-N 1 2 384.860 3.807 20 10 GHCDLO Cc1nc2[nH]ccc2c(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[nH+]1 ZINC000751218355 928077580 /nfs/dbraw/zinc/07/75/80/928077580.db2.gz CTOZMWTZCBJPMT-UHFFFAOYSA-N 1 2 391.397 3.734 20 10 GHCDLO CC[C@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)[C@@H](CC)CN1C(C)=O ZINC000781913342 931025039 /nfs/dbraw/zinc/02/50/39/931025039.db2.gz SJADREJMDFHSGK-HOTGVXAUSA-N 1 2 383.330 3.684 20 10 GHCDLO CC[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)[C@@H](CC)CN1C(C)=O ZINC000781913342 931025046 /nfs/dbraw/zinc/02/50/46/931025046.db2.gz SJADREJMDFHSGK-HOTGVXAUSA-N 1 2 383.330 3.684 20 10 GHCDLO C[C@@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1cc2c(cc1O)CCCC2 ZINC000783312895 931517139 /nfs/dbraw/zinc/51/71/39/931517139.db2.gz KJNZDJYFYAFAPS-OAHLLOKOSA-N 1 2 380.467 3.901 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001118814560 934255182 /nfs/dbraw/zinc/25/51/82/934255182.db2.gz BTYOCHLMUVCGFX-IBGZPJMESA-N 1 2 390.487 3.578 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@H+](Cc3c(O)cccc3Cl)[C@H](C)C2)cc1 ZINC001140341246 1021451776 /nfs/dbraw/zinc/45/17/76/1021451776.db2.gz GIMYAXIMFNXWHM-OAHLLOKOSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@@H+](Cc3c(O)cccc3Cl)[C@H](C)C2)cc1 ZINC001140341246 1021451780 /nfs/dbraw/zinc/45/17/80/1021451780.db2.gz GIMYAXIMFNXWHM-OAHLLOKOSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3c(O)cccc3Cl)[C@H](C)C2)cc1 ZINC001140341246 1021451790 /nfs/dbraw/zinc/45/17/90/1021451790.db2.gz GIMYAXIMFNXWHM-OAHLLOKOSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(C[N@H+]2CCN(Cc3c(O)cccc3Cl)[C@H](C)C2)cc1 ZINC001140341246 1021451793 /nfs/dbraw/zinc/45/17/93/1021451793.db2.gz GIMYAXIMFNXWHM-OAHLLOKOSA-N 1 2 388.895 3.539 20 10 GHCDLO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)cc(Cl)c1O ZINC000834913708 1021676464 /nfs/dbraw/zinc/67/64/64/1021676464.db2.gz IWMDULVLFCQJDE-NURSFMCSSA-N 1 2 387.705 3.612 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(Cl)cc1O ZINC001140462527 1021753894 /nfs/dbraw/zinc/75/38/94/1021753894.db2.gz ICTZENJQTONBCL-UHFFFAOYSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@H+]2Cc1ccc(Cl)cc1O ZINC001140462527 1021753905 /nfs/dbraw/zinc/75/39/05/1021753905.db2.gz ICTZENJQTONBCL-UHFFFAOYSA-N 1 2 396.915 3.648 20 10 GHCDLO C[C@]1(c2ccc(F)cc2)C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCO1 ZINC001140664129 1022205663 /nfs/dbraw/zinc/20/56/63/1022205663.db2.gz ZMXPAZAMUMOFPT-JOCHJYFZSA-N 1 2 388.458 3.549 20 10 GHCDLO C[C@]1(c2ccc(F)cc2)C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CCO1 ZINC001140664129 1022205669 /nfs/dbraw/zinc/20/56/69/1022205669.db2.gz ZMXPAZAMUMOFPT-JOCHJYFZSA-N 1 2 388.458 3.549 20 10 GHCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000836781819 1023363170 /nfs/dbraw/zinc/36/31/70/1023363170.db2.gz VIRYNDLOPUDWBC-PKOBYXMFSA-N 1 2 375.472 3.941 20 10 GHCDLO C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000756382895 1023622157 /nfs/dbraw/zinc/62/21/57/1023622157.db2.gz GDMWRCFOVHYWAJ-INIZCTEOSA-N 1 2 375.463 3.533 20 10 GHCDLO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N1CCN(c2ccccc2)CC1 ZINC000756412621 1023634793 /nfs/dbraw/zinc/63/47/93/1023634793.db2.gz VEMZJVMFUUKNQQ-CVEARBPZSA-N 1 2 375.463 3.532 20 10 GHCDLO CC(C)C[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000756495808 1023685114 /nfs/dbraw/zinc/68/51/14/1023685114.db2.gz BHBCBVMXGOTNIY-KOLCDFICSA-N 1 2 395.135 3.975 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1O ZINC000756502686 1023686612 /nfs/dbraw/zinc/68/66/12/1023686612.db2.gz KRGLQJAQJFJRMJ-BDAKNGLRSA-N 1 2 385.199 3.581 20 10 GHCDLO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1cc(Br)c(F)cc1O ZINC000756507596 1023690668 /nfs/dbraw/zinc/69/06/68/1023690668.db2.gz CYSCWANWWBSANM-GFCCVEGCSA-N 1 2 395.272 3.651 20 10 GHCDLO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000756539244 1023704028 /nfs/dbraw/zinc/70/40/28/1023704028.db2.gz KUVYTCLBSGYUPJ-ZWNOBZJWSA-N 1 2 396.256 3.957 20 10 GHCDLO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756539252 1023705245 /nfs/dbraw/zinc/70/52/45/1023705245.db2.gz KYSLESZBVANZPD-QMMMGPOBSA-N 1 2 396.182 3.903 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)c(F)cc1O ZINC000756660334 1023759783 /nfs/dbraw/zinc/75/97/83/1023759783.db2.gz VUOJKWJAOZEXCB-YPMHNXCESA-N 1 2 399.304 3.736 20 10 GHCDLO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(Br)cc(F)c1O ZINC000756704404 1023781154 /nfs/dbraw/zinc/78/11/54/1023781154.db2.gz NCLOLXKZEDEIGL-JTQLQIEISA-N 1 2 382.229 3.916 20 10 GHCDLO C[C@H]([NH2+]Cc1ccn(C)n1)c1cc(Br)cc(Br)c1O ZINC000756776747 1023811486 /nfs/dbraw/zinc/81/14/86/1023811486.db2.gz CZRJYLREOVOLAL-QMMMGPOBSA-N 1 2 389.091 3.502 20 10 GHCDLO CN(C)c1ccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000756922900 1023868251 /nfs/dbraw/zinc/86/82/51/1023868251.db2.gz ZZNOETHVHRVTRP-UHFFFAOYSA-N 1 2 387.487 3.990 20 10 GHCDLO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2cccc(F)c2O)CC1 ZINC001138127786 1024175894 /nfs/dbraw/zinc/17/58/94/1024175894.db2.gz QHSZOUISGHBMCN-UHFFFAOYSA-N 1 2 388.483 3.645 20 10 GHCDLO COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2cccc(F)c2O)CC1 ZINC001138127786 1024175900 /nfs/dbraw/zinc/17/59/00/1024175900.db2.gz QHSZOUISGHBMCN-UHFFFAOYSA-N 1 2 388.483 3.645 20 10 GHCDLO c1nc(COCC2CC2)c2n1CC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138216583 1024383667 /nfs/dbraw/zinc/38/36/67/1024383667.db2.gz CJAQWBRPODBXAU-UHFFFAOYSA-N 1 2 380.536 3.816 20 10 GHCDLO c1nc(COCC2CC2)c2n1CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138216583 1024383691 /nfs/dbraw/zinc/38/36/91/1024383691.db2.gz CJAQWBRPODBXAU-UHFFFAOYSA-N 1 2 380.536 3.816 20 10 GHCDLO O=C1Nc2ccccc2CN1C1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138222163 1024398549 /nfs/dbraw/zinc/39/85/49/1024398549.db2.gz JKAYJOYBQKYQTI-UHFFFAOYSA-N 1 2 376.504 3.909 20 10 GHCDLO OCC[N@H+](Cc1cccs1)Cc1cc(Cl)cc(Br)c1O ZINC001141371495 1024751006 /nfs/dbraw/zinc/75/10/06/1024751006.db2.gz ZCIJNGONDLSWQB-UHFFFAOYSA-N 1 2 376.703 3.864 20 10 GHCDLO OCC[N@@H+](Cc1cccs1)Cc1cc(Cl)cc(Br)c1O ZINC001141371495 1024751015 /nfs/dbraw/zinc/75/10/15/1024751015.db2.gz ZCIJNGONDLSWQB-UHFFFAOYSA-N 1 2 376.703 3.864 20 10 GHCDLO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)C1 ZINC000839147829 1025644503 /nfs/dbraw/zinc/64/45/03/1025644503.db2.gz SCCXNAPDLFHUKI-PHIMTYICSA-N 1 2 379.092 3.574 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001139131456 1025943246 /nfs/dbraw/zinc/94/32/46/1025943246.db2.gz OKZZEDIHJRIYMV-AWEZNQCLSA-N 1 2 383.448 3.693 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001139131456 1025943256 /nfs/dbraw/zinc/94/32/56/1025943256.db2.gz OKZZEDIHJRIYMV-AWEZNQCLSA-N 1 2 383.448 3.693 20 10 GHCDLO CCOC(=O)c1c(C)cc(N2CCc3c(c4cc(OC)ccc4n3C)C2)[nH+]c1C ZINC001166818872 1027094829 /nfs/dbraw/zinc/09/48/29/1027094829.db2.gz XRCYWYOHTZZJKA-UHFFFAOYSA-N 1 2 393.487 3.938 20 10 GHCDLO Cc1cccn2cc(C[NH+]3CCN(c4ccc(OC(F)(F)F)cc4)CC3)nc12 ZINC001209744358 1027137301 /nfs/dbraw/zinc/13/73/01/1027137301.db2.gz PYGTYGXUIUFMLZ-UHFFFAOYSA-N 1 2 390.409 3.864 20 10 GHCDLO Oc1ccc(Br)cc1C[NH+]1CCN(Cc2c(F)cccc2F)CC1 ZINC001203649685 1027504506 /nfs/dbraw/zinc/50/45/06/1027504506.db2.gz ASQWNJMNOVBXDO-UHFFFAOYSA-N 1 2 397.263 3.751 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203651699 1027507649 /nfs/dbraw/zinc/50/76/49/1027507649.db2.gz STYAJUXQRFPYGU-FQEVSTJZSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203651699 1027507661 /nfs/dbraw/zinc/50/76/61/1027507661.db2.gz STYAJUXQRFPYGU-FQEVSTJZSA-N 1 2 396.915 3.648 20 10 GHCDLO Cc1cc(O)c(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)c(Cl)c1 ZINC000840911986 1027948522 /nfs/dbraw/zinc/94/85/22/1027948522.db2.gz FGIMIPRVVAQJMB-UHFFFAOYSA-N 1 2 397.924 3.658 20 10 GHCDLO Cc1cc(O)c(C[N@@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)c(Cl)c1 ZINC000840911986 1027948540 /nfs/dbraw/zinc/94/85/40/1027948540.db2.gz FGIMIPRVVAQJMB-UHFFFAOYSA-N 1 2 397.924 3.658 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@@H](O)C(F)(F)F ZINC001461400820 1069534416 /nfs/dbraw/zinc/53/44/16/1069534416.db2.gz PPXDVNNRPHVECV-MWLCHTKSSA-N 1 2 376.600 3.600 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001142530711 1029034238 /nfs/dbraw/zinc/03/42/38/1029034238.db2.gz KWAIBEGEHLIUOR-NSHDSACASA-N 1 2 389.324 3.523 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001142530711 1029034250 /nfs/dbraw/zinc/03/42/50/1029034250.db2.gz KWAIBEGEHLIUOR-NSHDSACASA-N 1 2 389.324 3.523 20 10 GHCDLO Cc1cc(F)c(F)cc1-c1noc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC001217055873 1030127265 /nfs/dbraw/zinc/12/72/65/1030127265.db2.gz BWFHIDQHXLPBCR-UHFFFAOYSA-N 1 2 387.386 3.528 20 10 GHCDLO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)cc(F)c1O ZINC001276881374 1030525341 /nfs/dbraw/zinc/52/53/41/1030525341.db2.gz QQXUDVFTZOENMH-HZPDHXFCSA-N 1 2 399.304 3.659 20 10 GHCDLO C[C@H]1[NH2+]C[C@@H]1Oc1cc2c(-c3ccccc3)c3cc(O)c(O)cc3oc-2cc1=O ZINC001218386475 1030915534 /nfs/dbraw/zinc/91/55/34/1030915534.db2.gz NFHDFRCOAFMEBV-IPQOISQHSA-N 1 2 389.407 3.715 20 10 GHCDLO COc1ccc(-c2cc(C[NH+]3CCN(c4ccc(OC)cc4)CC3)no2)cc1 ZINC001206823106 1034002509 /nfs/dbraw/zinc/00/25/09/1034002509.db2.gz JNCMQVIVZMOCJO-UHFFFAOYSA-N 1 2 379.460 3.681 20 10 GHCDLO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001461885392 1069835762 /nfs/dbraw/zinc/83/57/62/1069835762.db2.gz PIZFXZCJBUSAJX-LLVKDONJSA-N 1 2 384.705 3.921 20 10 GHCDLO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001461885392 1069835785 /nfs/dbraw/zinc/83/57/85/1069835785.db2.gz PIZFXZCJBUSAJX-LLVKDONJSA-N 1 2 384.705 3.921 20 10 GHCDLO CCN(CC)C(=O)c1nc2c(s1)CC[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC001231910222 1034984220 /nfs/dbraw/zinc/98/42/20/1034984220.db2.gz LFAQSHSWNBBEAA-UHFFFAOYSA-N 1 2 393.940 3.585 20 10 GHCDLO CCN(CC)C(=O)c1nc2c(s1)CC[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC001231910222 1034984225 /nfs/dbraw/zinc/98/42/25/1034984225.db2.gz LFAQSHSWNBBEAA-UHFFFAOYSA-N 1 2 393.940 3.585 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001231910502 1034984329 /nfs/dbraw/zinc/98/43/29/1034984329.db2.gz ROPWRIJXAJGFEL-GHTZIAJQSA-N 1 2 388.895 3.781 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001231910502 1034984334 /nfs/dbraw/zinc/98/43/34/1034984334.db2.gz ROPWRIJXAJGFEL-GHTZIAJQSA-N 1 2 388.895 3.781 20 10 GHCDLO O=C1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)CN1c1ccc(F)c(F)c1 ZINC001231911158 1034985270 /nfs/dbraw/zinc/98/52/70/1034985270.db2.gz DGAFBQBUVWDKHE-HXUWFJFHSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)CN1c1ccc(F)c(F)c1 ZINC001231911158 1034985272 /nfs/dbraw/zinc/98/52/72/1034985272.db2.gz DGAFBQBUVWDKHE-HXUWFJFHSA-N 1 2 392.833 3.953 20 10 GHCDLO CCOC(=O)c1ncn2c1C[N@H+](Cc1ccc(-n3c(C)ccc3C)cc1)CCC2 ZINC001209518565 1035301269 /nfs/dbraw/zinc/30/12/69/1035301269.db2.gz MNTWOKWZTQYFOH-UHFFFAOYSA-N 1 2 392.503 3.873 20 10 GHCDLO CCOC(=O)c1ncn2c1C[N@@H+](Cc1ccc(-n3c(C)ccc3C)cc1)CCC2 ZINC001209518565 1035301273 /nfs/dbraw/zinc/30/12/73/1035301273.db2.gz MNTWOKWZTQYFOH-UHFFFAOYSA-N 1 2 392.503 3.873 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCc3ccccc3C2)cc1I ZINC001248459194 1035880303 /nfs/dbraw/zinc/88/03/03/1035880303.db2.gz RNWRBJGACZVRNW-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO CCOCc1noc2c1C[N@H+](Cc1cc(Br)cc(C)c1O)CC2 ZINC001233110616 1038900950 /nfs/dbraw/zinc/90/09/50/1038900950.db2.gz PQZNPHBDFMIFPW-UHFFFAOYSA-N 1 2 381.270 3.546 20 10 GHCDLO CCOCc1noc2c1C[N@@H+](Cc1cc(Br)cc(C)c1O)CC2 ZINC001233110616 1038900951 /nfs/dbraw/zinc/90/09/51/1038900951.db2.gz PQZNPHBDFMIFPW-UHFFFAOYSA-N 1 2 381.270 3.546 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233333631 1039135395 /nfs/dbraw/zinc/13/53/95/1039135395.db2.gz CNVFJHGMRWNZIU-UHFFFAOYSA-N 1 2 396.441 3.791 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233333631 1039135409 /nfs/dbraw/zinc/13/54/09/1039135409.db2.gz CNVFJHGMRWNZIU-UHFFFAOYSA-N 1 2 396.441 3.791 20 10 GHCDLO Nc1cc(F)c(F)cc1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001233382677 1039209311 /nfs/dbraw/zinc/20/93/11/1039209311.db2.gz DNUZBSJTRKNXHN-UHFFFAOYSA-N 1 2 387.352 3.768 20 10 GHCDLO Oc1c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cccc1OC(F)(F)F ZINC001233776814 1039608032 /nfs/dbraw/zinc/60/80/32/1039608032.db2.gz YTUPLCJYOUSRDU-AWEZNQCLSA-N 1 2 380.357 3.596 20 10 GHCDLO CCCCN1CCC2(CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)C1=O ZINC001277834733 1039880773 /nfs/dbraw/zinc/88/07/73/1039880773.db2.gz UELBTBBCJAXOKD-UHFFFAOYSA-N 1 2 380.916 3.669 20 10 GHCDLO Oc1ccc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)cc1C[NH+]1CCOCC1 ZINC001254705289 1040464477 /nfs/dbraw/zinc/46/44/77/1040464477.db2.gz DCWIYUQFXDEWLK-OALUTQOASA-N 1 2 377.444 3.546 20 10 GHCDLO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235293788 1040765269 /nfs/dbraw/zinc/76/52/69/1040765269.db2.gz BSWWTHBMIJHXAW-QGZVFWFLSA-N 1 2 388.277 3.849 20 10 GHCDLO CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235293788 1040765295 /nfs/dbraw/zinc/76/52/95/1040765295.db2.gz BSWWTHBMIJHXAW-QGZVFWFLSA-N 1 2 388.277 3.849 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC001236671738 1041819646 /nfs/dbraw/zinc/81/96/46/1041819646.db2.gz WYPZWQYIJPMOPC-QGZVFWFLSA-N 1 2 376.294 3.907 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC001236671738 1041819647 /nfs/dbraw/zinc/81/96/47/1041819647.db2.gz WYPZWQYIJPMOPC-QGZVFWFLSA-N 1 2 376.294 3.907 20 10 GHCDLO CCOCc1ncn2c1C[N@H+](Cc1cc(OCc3ccccc3)ccc1O)CC2 ZINC001236784509 1041890262 /nfs/dbraw/zinc/89/02/62/1041890262.db2.gz GJSUKVARZCANRE-UHFFFAOYSA-N 1 2 393.487 3.720 20 10 GHCDLO CCOCc1ncn2c1C[N@@H+](Cc1cc(OCc3ccccc3)ccc1O)CC2 ZINC001236784509 1041890272 /nfs/dbraw/zinc/89/02/72/1041890272.db2.gz GJSUKVARZCANRE-UHFFFAOYSA-N 1 2 393.487 3.720 20 10 GHCDLO COc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801619 1041903969 /nfs/dbraw/zinc/90/39/69/1041903969.db2.gz KRPNADYGKRYYQT-AWEZNQCLSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801619 1041903973 /nfs/dbraw/zinc/90/39/73/1041903973.db2.gz KRPNADYGKRYYQT-AWEZNQCLSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(CN2CC[NH+](C[C@@H](OC)c3ccccc3)CC2)c(O)c1Cl ZINC001236808250 1041909129 /nfs/dbraw/zinc/90/91/29/1041909129.db2.gz WBMQLGKUKASXNG-LJQANCHMSA-N 1 2 390.911 3.560 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023396 1041942052 /nfs/dbraw/zinc/94/20/52/1041942052.db2.gz VGMCRRMIHXWIEJ-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023396 1041942056 /nfs/dbraw/zinc/94/20/56/1041942056.db2.gz VGMCRRMIHXWIEJ-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO CN1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(F)C3)cc2Br)CC1 ZINC001237089021 1042030471 /nfs/dbraw/zinc/03/04/71/1042030471.db2.gz DGRFREJBNFAXOZ-SFHVURJKSA-N 1 2 384.337 3.525 20 10 GHCDLO CN1CCN(c2ccc(C[N@H+]3CCC[C@](C)(F)C3)cc2Br)CC1 ZINC001237089021 1042030478 /nfs/dbraw/zinc/03/04/78/1042030478.db2.gz DGRFREJBNFAXOZ-SFHVURJKSA-N 1 2 384.337 3.525 20 10 GHCDLO CCN(Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1)CC(F)(F)F ZINC001237091463 1042031406 /nfs/dbraw/zinc/03/14/06/1042031406.db2.gz AQWBEAWOZWMOKF-UHFFFAOYSA-N 1 2 394.279 3.585 20 10 GHCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001237121696 1042050132 /nfs/dbraw/zinc/05/01/32/1042050132.db2.gz NTGNBMJZGZMUSX-SWLSCSKDSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001237121696 1042050137 /nfs/dbraw/zinc/05/01/37/1042050137.db2.gz NTGNBMJZGZMUSX-SWLSCSKDSA-N 1 2 381.904 3.738 20 10 GHCDLO CS(=O)(=O)c1ccc(C2CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)cc1 ZINC001237125344 1042052735 /nfs/dbraw/zinc/05/27/35/1042052735.db2.gz CRGJXFAJSNFWBM-UHFFFAOYSA-N 1 2 397.899 3.968 20 10 GHCDLO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237617634 1042283992 /nfs/dbraw/zinc/28/39/92/1042283992.db2.gz BROKMZVRVUFGMQ-KRWDZBQOSA-N 1 2 388.870 3.823 20 10 GHCDLO Oc1c(C[NH+]2CCC3(CC2)OCCO3)cc(Br)cc1C(F)(F)F ZINC001237783461 1042367824 /nfs/dbraw/zinc/36/78/24/1042367824.db2.gz IDJORQAIWAMVIL-UHFFFAOYSA-N 1 2 396.203 3.512 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@H](C)N1CC(F)(F)F ZINC001462633836 1070431509 /nfs/dbraw/zinc/43/15/09/1070431509.db2.gz JCBBMNVWXVLXDZ-PHIMTYICSA-N 1 2 381.236 3.612 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H](C)N1CC(F)(F)F ZINC001462633836 1070431512 /nfs/dbraw/zinc/43/15/12/1070431512.db2.gz JCBBMNVWXVLXDZ-PHIMTYICSA-N 1 2 381.236 3.612 20 10 GHCDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c(O)ccc(F)c1Cl)C2 ZINC001279683258 1047912663 /nfs/dbraw/zinc/91/26/63/1047912663.db2.gz CVQQPFPTASAIJI-OLZOCXBDSA-N 1 2 381.904 3.656 20 10 GHCDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1c(O)ccc(F)c1Cl)C2 ZINC001279683258 1047912671 /nfs/dbraw/zinc/91/26/71/1047912671.db2.gz CVQQPFPTASAIJI-OLZOCXBDSA-N 1 2 381.904 3.656 20 10 GHCDLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001279683258 1047912674 /nfs/dbraw/zinc/91/26/74/1047912674.db2.gz CVQQPFPTASAIJI-OLZOCXBDSA-N 1 2 381.904 3.656 20 10 GHCDLO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001279683258 1047912677 /nfs/dbraw/zinc/91/26/77/1047912677.db2.gz CVQQPFPTASAIJI-OLZOCXBDSA-N 1 2 381.904 3.656 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC001307600017 1049439120 /nfs/dbraw/zinc/43/91/20/1049439120.db2.gz RLPOILIZABRLRT-MRXNPFEDSA-N 1 2 387.911 3.888 20 10 GHCDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)ccc1N1CCCCC1 ZINC000734847565 1049810970 /nfs/dbraw/zinc/81/09/70/1049810970.db2.gz OVTAOZUMMUGCBA-KRWDZBQOSA-N 1 2 391.418 3.687 20 10 GHCDLO COc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2O)cc1 ZINC001308197559 1049908976 /nfs/dbraw/zinc/90/89/76/1049908976.db2.gz WYLIBZLECRNHDZ-OAHLLOKOSA-N 1 2 386.673 3.640 20 10 GHCDLO CCN1CC[NH+](Cc2ccc(NCc3cc(Cl)cc(F)c3O)cc2)CC1 ZINC001308212691 1049914189 /nfs/dbraw/zinc/91/41/89/1049914189.db2.gz VSMAGCVPVOJDOZ-UHFFFAOYSA-N 1 2 377.891 3.934 20 10 GHCDLO Cc1ccc([C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)N2CCOCC2)cc1 ZINC001308216446 1049916366 /nfs/dbraw/zinc/91/63/66/1049916366.db2.gz RSSHQCFDRJILHH-IBGZPJMESA-N 1 2 378.875 3.656 20 10 GHCDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)c1O ZINC001308888928 1050140936 /nfs/dbraw/zinc/14/09/36/1050140936.db2.gz CREJZCOTQYRPAO-UHFFFAOYSA-N 1 2 385.895 3.853 20 10 GHCDLO C[C@@H](c1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1)[NH+]1CCOCC1 ZINC001332822606 1051577675 /nfs/dbraw/zinc/57/76/75/1051577675.db2.gz QHILLORKCLAVHQ-AWEZNQCLSA-N 1 2 389.883 3.761 20 10 GHCDLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001311777551 1052391066 /nfs/dbraw/zinc/39/10/66/1052391066.db2.gz LFHOMQMEUWBXKV-UHFFFAOYSA-N 1 2 382.508 3.649 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)c1 ZINC001457337449 1063097281 /nfs/dbraw/zinc/09/72/81/1063097281.db2.gz KDSMOJWYWWSOOW-UHFFFAOYSA-N 1 2 390.487 3.725 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)cc1 ZINC001473691458 1074089632 /nfs/dbraw/zinc/08/96/32/1074089632.db2.gz SJBXIGWZGDIUTK-UHFFFAOYSA-N 1 2 391.437 3.616 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)cc1 ZINC001473691458 1074089640 /nfs/dbraw/zinc/08/96/40/1074089640.db2.gz SJBXIGWZGDIUTK-UHFFFAOYSA-N 1 2 391.437 3.616 20 10 GHCDLO COCCOc1cc(C)ccc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC001474044605 1074246218 /nfs/dbraw/zinc/24/62/18/1074246218.db2.gz NCRXCHAGAOJCDM-UHFFFAOYSA-N 1 2 398.272 3.917 20 10 GHCDLO COc1ccccc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccn1 ZINC000376470685 837456658 /nfs/dbraw/zinc/45/66/58/837456658.db2.gz GBRLWXTUTQGVHH-IBGZPJMESA-N 1 2 395.415 3.592 20 10 GHCDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])c(OC)c3O)n2)cc1 ZINC000278402125 834970958 /nfs/dbraw/zinc/97/09/58/834970958.db2.gz OHVZCNAFDUWWML-GFCCVEGCSA-N 1 2 398.419 3.772 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1O ZINC000177584330 837982650 /nfs/dbraw/zinc/98/26/50/837982650.db2.gz PKHUYHDVKHATCL-SFHVURJKSA-N 1 2 381.900 3.798 20 10 GHCDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000273197855 847271620 /nfs/dbraw/zinc/27/16/20/847271620.db2.gz QXCJNUFMOVHXBG-OAHLLOKOSA-N 1 2 383.448 3.694 20 10 GHCDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000273197855 847271628 /nfs/dbraw/zinc/27/16/28/847271628.db2.gz QXCJNUFMOVHXBG-OAHLLOKOSA-N 1 2 383.448 3.694 20 10 GHCDLO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000121873986 848223974 /nfs/dbraw/zinc/22/39/74/848223974.db2.gz DIIOGURDKBBLLQ-UHFFFAOYSA-N 1 2 393.846 3.856 20 10 GHCDLO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000121873986 848223980 /nfs/dbraw/zinc/22/39/80/848223980.db2.gz DIIOGURDKBBLLQ-UHFFFAOYSA-N 1 2 393.846 3.856 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)NCC[NH+]3Cc4ccccc4C3)ccc21 ZINC000590705013 855553863 /nfs/dbraw/zinc/55/38/63/855553863.db2.gz HCVXASVYZLNBAZ-UHFFFAOYSA-N 1 2 391.515 3.650 20 10 GHCDLO CC[NH+](CC)Cc1nc(C2(NCc3ccc4c(c3)CCCO4)CCCC2)no1 ZINC000921745934 856267005 /nfs/dbraw/zinc/26/70/05/856267005.db2.gz ACWYGMSUSAPTSX-UHFFFAOYSA-N 1 2 384.524 3.796 20 10 GHCDLO O=C(NCc1nc(C[NH2+]Cc2ccc3c(c2)CCCO3)cs1)c1ccccc1 ZINC000921816460 856543752 /nfs/dbraw/zinc/54/37/52/856543752.db2.gz RNBURXCAGGWGQP-UHFFFAOYSA-N 1 2 393.512 3.688 20 10 GHCDLO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(Br)c1O ZINC000761185797 858962259 /nfs/dbraw/zinc/96/22/59/858962259.db2.gz XZNGMSCPHZUWKA-UHFFFAOYSA-N 1 2 379.298 3.861 20 10 GHCDLO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(Br)c1O ZINC000761185797 858962265 /nfs/dbraw/zinc/96/22/65/858962265.db2.gz XZNGMSCPHZUWKA-UHFFFAOYSA-N 1 2 379.298 3.861 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1 ZINC000761216830 859345577 /nfs/dbraw/zinc/34/55/77/859345577.db2.gz YKPLHDXADXQRBT-UHFFFAOYSA-N 1 2 397.357 3.932 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1 ZINC000761216830 859345580 /nfs/dbraw/zinc/34/55/80/859345580.db2.gz YKPLHDXADXQRBT-UHFFFAOYSA-N 1 2 397.357 3.932 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000071958153 864240255 /nfs/dbraw/zinc/24/02/55/864240255.db2.gz IBEBPKQIFQSWCP-UHFFFAOYSA-N 1 2 380.319 3.808 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000071958153 864240266 /nfs/dbraw/zinc/24/02/66/864240266.db2.gz IBEBPKQIFQSWCP-UHFFFAOYSA-N 1 2 380.319 3.808 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCCC[C@@H]4CO)nc[nH+]3)cc2)CC1 ZINC000302905738 865985781 /nfs/dbraw/zinc/98/57/81/865985781.db2.gz SRJRREBIZQWVQC-OAQYLSRUSA-N 1 2 395.551 3.676 20 10 GHCDLO CC1CCN(c2ccc(CNc3cc(N4CCCC[C@@H]4CO)[nH+]cn3)cc2)CC1 ZINC000302905738 865985791 /nfs/dbraw/zinc/98/57/91/865985791.db2.gz SRJRREBIZQWVQC-OAQYLSRUSA-N 1 2 395.551 3.676 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000182226667 872074104 /nfs/dbraw/zinc/07/41/04/872074104.db2.gz IGYBSLZSZZYGEI-UHFFFAOYSA-N 1 2 399.510 3.606 20 10 GHCDLO O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CCc2[nH+]ccn2CC1 ZINC001197176687 873640094 /nfs/dbraw/zinc/64/00/94/873640094.db2.gz WQTFUZQCYBSAOK-QURGRASLSA-N 1 2 381.461 3.546 20 10 GHCDLO Cc1cc(C(=O)CN2CCC[C@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC000770038342 874418893 /nfs/dbraw/zinc/41/88/93/874418893.db2.gz LWNGBPSNNYNPCZ-IBGZPJMESA-N 1 2 376.504 3.890 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)CCc2cnccn2)c(C)n1-c1ccc(C)c(C)c1 ZINC000771459727 875257002 /nfs/dbraw/zinc/25/70/02/875257002.db2.gz HMOYXTJGVBBZSR-UHFFFAOYSA-N 1 2 376.504 3.858 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)CCc2cnccn2)c(C)n1-c1ccc(C)c(C)c1 ZINC000771459727 875257016 /nfs/dbraw/zinc/25/70/16/875257016.db2.gz HMOYXTJGVBBZSR-UHFFFAOYSA-N 1 2 376.504 3.858 20 10 GHCDLO COc1cc(CNc2ccc[nH+]c2N2CCC(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850223527 876736067 /nfs/dbraw/zinc/73/60/67/876736067.db2.gz GLOXDIRADCVFSZ-UHFFFAOYSA-N 1 2 385.508 3.667 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000858449707 883105027 /nfs/dbraw/zinc/10/50/27/883105027.db2.gz RPXMLDNVPJODLQ-PRHODGIISA-N 1 2 396.182 3.945 20 10 GHCDLO C[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cc(Cl)c(Cl)cc1O ZINC000788610196 878167093 /nfs/dbraw/zinc/16/70/93/878167093.db2.gz RZODRZFLAQOKLD-NSHDSACASA-N 1 2 394.302 3.716 20 10 GHCDLO C[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cc(Cl)c(Cl)cc1O ZINC000788610196 878167097 /nfs/dbraw/zinc/16/70/97/878167097.db2.gz RZODRZFLAQOKLD-NSHDSACASA-N 1 2 394.302 3.716 20 10 GHCDLO COCCOc1ccccc1N1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792170666 880960766 /nfs/dbraw/zinc/96/07/66/880960766.db2.gz UVMPSJAOHFHDHZ-UHFFFAOYSA-N 1 2 394.874 3.532 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000155122715 881095468 /nfs/dbraw/zinc/09/54/68/881095468.db2.gz ZFQYLUDVECIICP-UHFFFAOYSA-N 1 2 375.778 3.633 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000155122715 881095483 /nfs/dbraw/zinc/09/54/83/881095483.db2.gz ZFQYLUDVECIICP-UHFFFAOYSA-N 1 2 375.778 3.633 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+](C)CC(=O)NCCC2=CCCCC2)c1 ZINC001183960119 912927776 /nfs/dbraw/zinc/92/77/76/912927776.db2.gz VYJNWYKNMRECEF-UHFFFAOYSA-N 1 2 395.341 3.902 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)c1 ZINC001183960119 912927789 /nfs/dbraw/zinc/92/77/89/912927789.db2.gz VYJNWYKNMRECEF-UHFFFAOYSA-N 1 2 395.341 3.902 20 10 GHCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@H](C)CCCC(C)C)cc12 ZINC001184362916 913146849 /nfs/dbraw/zinc/14/68/49/913146849.db2.gz WNNXTYPSOWIIDE-MRXNPFEDSA-N 1 2 388.508 3.570 20 10 GHCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@H](C)CCCC(C)C)cc12 ZINC001184362916 913146858 /nfs/dbraw/zinc/14/68/58/913146858.db2.gz WNNXTYPSOWIIDE-MRXNPFEDSA-N 1 2 388.508 3.570 20 10 GHCDLO Oc1ccc(Cl)cc1C[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000119728898 887481640 /nfs/dbraw/zinc/48/16/40/887481640.db2.gz POMUJVDETSBUCM-UHFFFAOYSA-N 1 2 393.672 3.883 20 10 GHCDLO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000809706523 887725269 /nfs/dbraw/zinc/72/52/69/887725269.db2.gz BOTQPZCSGBXAFM-ZJUUUORDSA-N 1 2 393.119 3.679 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Br)cc(F)c1O ZINC000866531011 888921187 /nfs/dbraw/zinc/92/11/87/888921187.db2.gz DHTQGKJHWHEEOH-YPMHNXCESA-N 1 2 388.277 3.530 20 10 GHCDLO CCCC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 ZINC000917109713 891271860 /nfs/dbraw/zinc/27/18/60/891271860.db2.gz DOZBROQIYGBULC-UHFFFAOYSA-N 1 2 395.547 3.966 20 10 GHCDLO COc1cc(C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c(O)c(C(C)(C)C)c1 ZINC000814221746 892400188 /nfs/dbraw/zinc/40/01/88/892400188.db2.gz LNFDHNXGYAEFOF-UHFFFAOYSA-N 1 2 392.503 3.837 20 10 GHCDLO COc1cc(C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c(O)c(C(C)(C)C)c1 ZINC000814221746 892400198 /nfs/dbraw/zinc/40/01/98/892400198.db2.gz LNFDHNXGYAEFOF-UHFFFAOYSA-N 1 2 392.503 3.837 20 10 GHCDLO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000877470628 893627360 /nfs/dbraw/zinc/62/73/60/893627360.db2.gz LDYQGOULZNADPA-INIZCTEOSA-N 1 2 384.524 3.929 20 10 GHCDLO COC(=O)N1CCN(c2ccc(N[C@@H](C)c3cc(Cl)ccc3O)c[nH+]2)CC1 ZINC000815654706 894068892 /nfs/dbraw/zinc/06/88/92/894068892.db2.gz VSYQCKJAHUBTLI-ZDUSSCGKSA-N 1 2 390.871 3.502 20 10 GHCDLO CC[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000817414510 895591150 /nfs/dbraw/zinc/59/11/50/895591150.db2.gz GTJFEQBIDGETBD-VXGBXAGGSA-N 1 2 393.119 3.964 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc([S@@](C)=O)cc1 ZINC000883076167 897256848 /nfs/dbraw/zinc/25/68/48/897256848.db2.gz WDKLORPJNNAGFP-ZQJOYCHOSA-N 1 2 386.286 3.882 20 10 GHCDLO Cc1cc(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(C)n1-c1ccccc1 ZINC000822077349 898211418 /nfs/dbraw/zinc/21/14/18/898211418.db2.gz BWMVHBGNRHQAOJ-UHFFFAOYSA-N 1 2 388.515 3.817 20 10 GHCDLO COc1cc(Br)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1O ZINC000778984914 902557615 /nfs/dbraw/zinc/55/76/15/902557615.db2.gz NIRCEKWGDCRLEA-UHFFFAOYSA-N 1 2 379.298 3.861 20 10 GHCDLO COc1cc(Br)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1O ZINC000778984914 902557625 /nfs/dbraw/zinc/55/76/25/902557625.db2.gz NIRCEKWGDCRLEA-UHFFFAOYSA-N 1 2 379.298 3.861 20 10 GHCDLO COc1cc(OC)cc([C@H]([NH2+][C@H](C)c2cc(F)ccc2O)c2nccn2C)c1 ZINC000184960579 907687392 /nfs/dbraw/zinc/68/73/92/907687392.db2.gz DKDWFOQWNMHDKO-XCLFUZPHSA-N 1 2 385.439 3.722 20 10 GHCDLO N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001175857329 907798043 /nfs/dbraw/zinc/79/80/43/907798043.db2.gz SXXVQXURYDDINL-ALNQNNHBSA-N 1 2 388.475 3.787 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCCOCC1CC1 ZINC001177136418 908420730 /nfs/dbraw/zinc/42/07/30/908420730.db2.gz OHWKQVCVXVFFOV-UHFFFAOYSA-N 1 2 393.119 3.824 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC001179430196 909521913 /nfs/dbraw/zinc/52/19/13/909521913.db2.gz RUBCYHHFBDNPFT-OCCSQVGLSA-N 1 2 391.103 3.718 20 10 GHCDLO Cn1cnc2cc(C[NH2+]Cc3cc(Cl)cc(Br)c3O)ccc21 ZINC001179603070 909605251 /nfs/dbraw/zinc/60/52/51/909605251.db2.gz SRASZHQYZPWDQZ-UHFFFAOYSA-N 1 2 380.673 3.985 20 10 GHCDLO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)s1 ZINC000248129707 911743582 /nfs/dbraw/zinc/74/35/82/911743582.db2.gz PXHXPPHYFJVYBL-UHFFFAOYSA-N 1 2 379.957 3.948 20 10 GHCDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)s1 ZINC000248129707 911743606 /nfs/dbraw/zinc/74/36/06/911743606.db2.gz PXHXPPHYFJVYBL-UHFFFAOYSA-N 1 2 379.957 3.948 20 10 GHCDLO O=C1NC2(CCCC2)C(=O)N1c1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000291457676 915192332 /nfs/dbraw/zinc/19/23/32/915192332.db2.gz CXQCUZLDARWMSU-UHFFFAOYSA-N 1 2 399.878 3.704 20 10 GHCDLO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(Br)c1O)NC(=O)OC(C)(C)C ZINC000775153895 915610163 /nfs/dbraw/zinc/61/01/63/915610163.db2.gz VTIYKKBXTQOHGB-VXGBXAGGSA-N 1 2 387.318 3.936 20 10 GHCDLO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191231947 917867911 /nfs/dbraw/zinc/86/79/11/917867911.db2.gz DXELBIFBOREIRM-CABCVRRESA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001191231947 917867921 /nfs/dbraw/zinc/86/79/21/917867921.db2.gz DXELBIFBOREIRM-CABCVRRESA-N 1 2 376.456 3.521 20 10 GHCDLO COCC1(C[NH2+]Cc2cc(Br)cc(Br)c2O)CCC1 ZINC000800527162 920243850 /nfs/dbraw/zinc/24/38/50/920243850.db2.gz WPMLKAKVEOPKCF-UHFFFAOYSA-N 1 2 393.119 3.824 20 10 GHCDLO O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000298726175 920856309 /nfs/dbraw/zinc/85/63/09/920856309.db2.gz GFXLZLUAHQUXLP-UHFFFAOYSA-N 1 2 389.503 3.531 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1ccc(C)cc1 ZINC000781344294 930804318 /nfs/dbraw/zinc/80/43/18/930804318.db2.gz PAAFKARNJHMBPU-UHFFFAOYSA-N 1 2 395.547 3.776 20 10 GHCDLO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(Br)cc(F)c1O ZINC000799731475 933101326 /nfs/dbraw/zinc/10/13/26/933101326.db2.gz OBOCNFKKTNKBAT-SWLSCSKDSA-N 1 2 382.273 3.938 20 10 GHCDLO C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(N(C)C)cc1 ZINC000799975813 933197951 /nfs/dbraw/zinc/19/79/51/933197951.db2.gz QUWUXJMMYBOAJR-HKUYNNGSSA-N 1 2 395.551 3.936 20 10 GHCDLO CCOC(=O)c1ncn2c1C[N@H+](Cc1cc(C)n(-c3ccccc3)c1C)CCC2 ZINC001137854409 935826766 /nfs/dbraw/zinc/82/67/66/935826766.db2.gz VCCDLARLUMOMNZ-UHFFFAOYSA-N 1 2 392.503 3.873 20 10 GHCDLO CCOC(=O)c1ncn2c1C[N@@H+](Cc1cc(C)n(-c3ccccc3)c1C)CCC2 ZINC001137854409 935826772 /nfs/dbraw/zinc/82/67/72/935826772.db2.gz VCCDLARLUMOMNZ-UHFFFAOYSA-N 1 2 392.503 3.873 20 10 GHCDLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC001204608467 1032992533 /nfs/dbraw/zinc/99/25/33/1032992533.db2.gz IBDOTTAKJNYDTF-MRXNPFEDSA-N 1 2 376.859 3.969 20 10 GHCDLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC001204608467 1032992539 /nfs/dbraw/zinc/99/25/39/1032992539.db2.gz IBDOTTAKJNYDTF-MRXNPFEDSA-N 1 2 376.859 3.969 20 10 GHCDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001204743430 1033059543 /nfs/dbraw/zinc/05/95/43/1033059543.db2.gz GUJOHJHKJTUYBS-QGZVFWFLSA-N 1 2 376.403 3.591 20 10 GHCDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001204743430 1033059545 /nfs/dbraw/zinc/05/95/45/1033059545.db2.gz GUJOHJHKJTUYBS-QGZVFWFLSA-N 1 2 376.403 3.591 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)Cc2cn(CC)nc21 ZINC001140924765 1022901140 /nfs/dbraw/zinc/90/11/40/1022901140.db2.gz UQYLRUBDQSIWCQ-QGZVFWFLSA-N 1 2 376.932 3.758 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)Cc2cn(CC)nc21 ZINC001140924765 1022901141 /nfs/dbraw/zinc/90/11/41/1022901141.db2.gz UQYLRUBDQSIWCQ-QGZVFWFLSA-N 1 2 376.932 3.758 20 10 GHCDLO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C2 ZINC000756395079 1023626395 /nfs/dbraw/zinc/62/63/95/1023626395.db2.gz GPSIYLNKEUQLKZ-CABZTGNLSA-N 1 2 380.261 3.600 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(F)c1O ZINC000756502658 1023686415 /nfs/dbraw/zinc/68/64/15/1023686415.db2.gz KIJQHQWFJSTMBU-BJOHPYRUSA-N 1 2 377.309 3.953 20 10 GHCDLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(Br)c(F)cc1O ZINC000756712488 1023783897 /nfs/dbraw/zinc/78/38/97/1023783897.db2.gz QXGOKTXSLOLPLB-RTHLEPHNSA-N 1 2 390.199 3.956 20 10 GHCDLO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756713099 1023785057 /nfs/dbraw/zinc/78/50/57/1023785057.db2.gz TYSLKGSDODDXLD-BONVTDFDSA-N 1 2 384.245 3.687 20 10 GHCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccccc1I)CCC2 ZINC001138212990 1024376000 /nfs/dbraw/zinc/37/60/00/1024376000.db2.gz OVTXOFMECPPFGN-UHFFFAOYSA-N 1 2 395.240 3.651 20 10 GHCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccccc1I)CCC2 ZINC001138212990 1024376029 /nfs/dbraw/zinc/37/60/29/1024376029.db2.gz OVTXOFMECPPFGN-UHFFFAOYSA-N 1 2 395.240 3.651 20 10 GHCDLO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141377060 1024774354 /nfs/dbraw/zinc/77/43/54/1024774354.db2.gz HZEIVYFDTZWFLT-JTQLQIEISA-N 1 2 376.678 3.583 20 10 GHCDLO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141377060 1024774368 /nfs/dbraw/zinc/77/43/68/1024774368.db2.gz HZEIVYFDTZWFLT-JTQLQIEISA-N 1 2 376.678 3.583 20 10 GHCDLO CCOC(=O)c1noc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000838906578 1025433787 /nfs/dbraw/zinc/43/37/87/1025433787.db2.gz KUKFFARHNVXABJ-OAHLLOKOSA-N 1 2 381.432 3.715 20 10 GHCDLO CCOC(=O)c1noc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000838906578 1025433792 /nfs/dbraw/zinc/43/37/92/1025433792.db2.gz KUKFFARHNVXABJ-OAHLLOKOSA-N 1 2 381.432 3.715 20 10 GHCDLO Cc1cc(C(F)(F)F)c(=O)n(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000839967409 1026379994 /nfs/dbraw/zinc/37/99/94/1026379994.db2.gz GETPJGONBFBNEW-UHFFFAOYSA-N 1 2 382.430 3.505 20 10 GHCDLO Cc1cc(C(F)(F)F)c(=O)n(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000839967409 1026380005 /nfs/dbraw/zinc/38/00/05/1026380005.db2.gz GETPJGONBFBNEW-UHFFFAOYSA-N 1 2 382.430 3.505 20 10 GHCDLO CCOc1ccncc1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001139631270 1026498417 /nfs/dbraw/zinc/49/84/17/1026498417.db2.gz CJOFPJHAXBCYJM-UHFFFAOYSA-N 1 2 381.398 3.701 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000840477909 1027561757 /nfs/dbraw/zinc/56/17/57/1027561757.db2.gz BEKLNHIDNMSYMA-SFHVURJKSA-N 1 2 383.540 3.579 20 10 GHCDLO OC[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)C1 ZINC000840977432 1028018443 /nfs/dbraw/zinc/01/84/43/1028018443.db2.gz HQJFSPKNAASYME-SKDRFNHKSA-N 1 2 393.119 3.558 20 10 GHCDLO Oc1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1C[NH+]1CCOCC1 ZINC001217056041 1030129099 /nfs/dbraw/zinc/12/90/99/1030129099.db2.gz DSFHTGQOKFIVFJ-UHFFFAOYSA-N 1 2 377.400 3.688 20 10 GHCDLO COC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1cccc(OC)c1 ZINC001461614723 1069642149 /nfs/dbraw/zinc/64/21/49/1069642149.db2.gz IOEAQMJOYTZPTH-MRXNPFEDSA-N 1 2 384.245 3.780 20 10 GHCDLO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001217988550 1030706602 /nfs/dbraw/zinc/70/66/02/1030706602.db2.gz OMZRUSNIYMXUQS-GUYCJALGSA-N 1 2 381.428 3.638 20 10 GHCDLO CCn1nc(C)c(C[N@H+](C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)c1C ZINC001207044984 1034068208 /nfs/dbraw/zinc/06/82/08/1034068208.db2.gz QSUANEUEVUZMBX-UHFFFAOYSA-N 1 2 386.471 3.569 20 10 GHCDLO CCn1nc(C)c(C[N@@H+](C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)c1C ZINC001207044984 1034068226 /nfs/dbraw/zinc/06/82/26/1034068226.db2.gz QSUANEUEVUZMBX-UHFFFAOYSA-N 1 2 386.471 3.569 20 10 GHCDLO O=C1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)CCCCCCN1 ZINC001207094790 1034090370 /nfs/dbraw/zinc/09/03/70/1034090370.db2.gz WLHPPSGTKFSZKV-UHFFFAOYSA-N 1 2 389.721 3.690 20 10 GHCDLO O=C1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)CCCCCCN1 ZINC001207094790 1034090380 /nfs/dbraw/zinc/09/03/80/1034090380.db2.gz WLHPPSGTKFSZKV-UHFFFAOYSA-N 1 2 389.721 3.690 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(CC3CC3)c21 ZINC001231852672 1034943732 /nfs/dbraw/zinc/94/37/32/1034943732.db2.gz ZVNBUWXMAZAJKD-IBGZPJMESA-N 1 2 398.551 3.504 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(CC3CC3)c21 ZINC001231852672 1034943736 /nfs/dbraw/zinc/94/37/36/1034943736.db2.gz ZVNBUWXMAZAJKD-IBGZPJMESA-N 1 2 398.551 3.504 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1cccc(Cl)c1O)C[C@H]2COCC1CC1 ZINC001231909528 1034984311 /nfs/dbraw/zinc/98/43/11/1034984311.db2.gz BUJFHBNZRLJMJO-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1cccc(Cl)c1O)C[C@H]2COCC1CC1 ZINC001231909528 1034984313 /nfs/dbraw/zinc/98/43/13/1034984313.db2.gz BUJFHBNZRLJMJO-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)CC1 ZINC001231912257 1034987007 /nfs/dbraw/zinc/98/70/07/1034987007.db2.gz YGNFRYPUOKRYLA-UHFFFAOYSA-N 1 2 385.895 3.569 20 10 GHCDLO O=C(c1cccnc1)N1CCC2(CC[N@H+](Cc3cccc(Cl)c3O)C2)CC1 ZINC001231912257 1034987009 /nfs/dbraw/zinc/98/70/09/1034987009.db2.gz YGNFRYPUOKRYLA-UHFFFAOYSA-N 1 2 385.895 3.569 20 10 GHCDLO COC(=O)c1cc(C[N@H+](C)Cc2cc(Br)cc(F)c2O)oc1C ZINC001462022278 1069950365 /nfs/dbraw/zinc/95/03/65/1069950365.db2.gz RUULKFPGZYIEJQ-UHFFFAOYSA-N 1 2 386.217 3.614 20 10 GHCDLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Br)cc(F)c2O)oc1C ZINC001462022278 1069950367 /nfs/dbraw/zinc/95/03/67/1069950367.db2.gz RUULKFPGZYIEJQ-UHFFFAOYSA-N 1 2 386.217 3.614 20 10 GHCDLO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232269221 1037991927 /nfs/dbraw/zinc/99/19/27/1037991927.db2.gz TYVPJSACWSWQKF-AWEZNQCLSA-N 1 2 384.904 3.886 20 10 GHCDLO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232269221 1037991930 /nfs/dbraw/zinc/99/19/30/1037991930.db2.gz TYVPJSACWSWQKF-AWEZNQCLSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269041 1037991983 /nfs/dbraw/zinc/99/19/83/1037991983.db2.gz ZRADNESHSGFOGJ-CABCVRRESA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269041 1037991987 /nfs/dbraw/zinc/99/19/87/1037991987.db2.gz ZRADNESHSGFOGJ-CABCVRRESA-N 1 2 382.888 3.638 20 10 GHCDLO COc1ccccc1O[C@@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233030643 1038783251 /nfs/dbraw/zinc/78/32/51/1038783251.db2.gz JMMUXCSDDLWRKI-CYBMUJFWSA-N 1 2 396.256 3.956 20 10 GHCDLO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233030643 1038783265 /nfs/dbraw/zinc/78/32/65/1038783265.db2.gz JMMUXCSDDLWRKI-CYBMUJFWSA-N 1 2 396.256 3.956 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)cc1Br ZINC001233139628 1038919648 /nfs/dbraw/zinc/91/96/48/1038919648.db2.gz NAFITMNWPURCMD-KRWDZBQOSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)cc1Br ZINC001233139628 1038919654 /nfs/dbraw/zinc/91/96/54/1038919654.db2.gz NAFITMNWPURCMD-KRWDZBQOSA-N 1 2 391.309 3.652 20 10 GHCDLO CC(C)N1CCOC[C@]2(CCC[N@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452728 1039336579 /nfs/dbraw/zinc/33/65/79/1039336579.db2.gz IQHRCEGCIJWPEE-IBGZPJMESA-N 1 2 386.458 3.734 20 10 GHCDLO CC(C)N1CCOC[C@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452728 1039336598 /nfs/dbraw/zinc/33/65/98/1039336598.db2.gz IQHRCEGCIJWPEE-IBGZPJMESA-N 1 2 386.458 3.734 20 10 GHCDLO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001277833446 1039871911 /nfs/dbraw/zinc/87/19/11/1039871911.db2.gz IYKIPZRBKTUUGC-ZFWWWQNUSA-N 1 2 380.916 3.571 20 10 GHCDLO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235066125 1040555412 /nfs/dbraw/zinc/55/54/12/1040555412.db2.gz WDFHUZMCTLUHKU-SFHVURJKSA-N 1 2 399.304 3.661 20 10 GHCDLO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235066125 1040555429 /nfs/dbraw/zinc/55/54/29/1040555429.db2.gz WDFHUZMCTLUHKU-SFHVURJKSA-N 1 2 399.304 3.661 20 10 GHCDLO CCN(Cc1cc(Br)cc(C(F)(F)F)c1O)[C@H]1CCC[NH2+]C1 ZINC001236011332 1041504830 /nfs/dbraw/zinc/50/48/30/1041504830.db2.gz WYKRIWRSJQPZJC-LBPRGKRZSA-N 1 2 381.236 3.747 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c1 ZINC001236669044 1041815822 /nfs/dbraw/zinc/81/58/22/1041815822.db2.gz LFPPIFLBMLXFRQ-IBGZPJMESA-N 1 2 387.321 3.878 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c1 ZINC001236669044 1041815830 /nfs/dbraw/zinc/81/58/30/1041815830.db2.gz LFPPIFLBMLXFRQ-IBGZPJMESA-N 1 2 387.321 3.878 20 10 GHCDLO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001236789380 1041896058 /nfs/dbraw/zinc/89/60/58/1041896058.db2.gz PDWBPZDETFBSRR-JENIJYKNSA-N 1 2 379.378 3.875 20 10 GHCDLO Oc1ccc(OCc2ccccc2)cc1C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001236789380 1041896062 /nfs/dbraw/zinc/89/60/62/1041896062.db2.gz PDWBPZDETFBSRR-JENIJYKNSA-N 1 2 379.378 3.875 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801554 1041904215 /nfs/dbraw/zinc/90/42/15/1041904215.db2.gz JHRHEKKTVJJJHM-ZFWWWQNUSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801554 1041904221 /nfs/dbraw/zinc/90/42/21/1041904221.db2.gz JHRHEKKTVJJJHM-ZFWWWQNUSA-N 1 2 396.915 3.886 20 10 GHCDLO COc1cc(O)c(C[N@H+](C)Cc2cccc(OC)c2OC)c(Br)c1 ZINC001237069485 1042020723 /nfs/dbraw/zinc/02/07/23/1042020723.db2.gz GMJKRFPHYRDHCQ-UHFFFAOYSA-N 1 2 396.281 3.813 20 10 GHCDLO COc1cc(O)c(C[N@@H+](C)Cc2cccc(OC)c2OC)c(Br)c1 ZINC001237069485 1042020727 /nfs/dbraw/zinc/02/07/27/1042020727.db2.gz GMJKRFPHYRDHCQ-UHFFFAOYSA-N 1 2 396.281 3.813 20 10 GHCDLO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(F)C3)cc2Br)CC1 ZINC001237089020 1042030693 /nfs/dbraw/zinc/03/06/93/1042030693.db2.gz DGRFREJBNFAXOZ-GOSISDBHSA-N 1 2 384.337 3.525 20 10 GHCDLO CN1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(F)C3)cc2Br)CC1 ZINC001237089020 1042030699 /nfs/dbraw/zinc/03/06/99/1042030699.db2.gz DGRFREJBNFAXOZ-GOSISDBHSA-N 1 2 384.337 3.525 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001237126042 1042054559 /nfs/dbraw/zinc/05/45/59/1042054559.db2.gz ZPILQAZSHYWHDR-UHFFFAOYSA-N 1 2 379.863 3.714 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001237126042 1042054574 /nfs/dbraw/zinc/05/45/74/1042054574.db2.gz ZPILQAZSHYWHDR-UHFFFAOYSA-N 1 2 379.863 3.714 20 10 GHCDLO COc1ccc2c(c1)CC[N@@H+](Cc1cccc(I)c1O)C2 ZINC001237778182 1042364889 /nfs/dbraw/zinc/36/48/89/1042364889.db2.gz TVZZSCPHQFWZGC-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO COc1ccc2c(c1)CC[N@H+](Cc1cccc(I)c1O)C2 ZINC001237778182 1042364890 /nfs/dbraw/zinc/36/48/90/1042364890.db2.gz TVZZSCPHQFWZGC-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO Oc1c(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc(Br)cc1C(F)(F)F ZINC001237783312 1042367220 /nfs/dbraw/zinc/36/72/20/1042367220.db2.gz HITBSSURGIFGKD-CQSZACIVSA-N 1 2 380.204 3.786 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@@]3(CCOC3)C2)cc(Br)cc1C(F)(F)F ZINC001237783312 1042367227 /nfs/dbraw/zinc/36/72/27/1042367227.db2.gz HITBSSURGIFGKD-CQSZACIVSA-N 1 2 380.204 3.786 20 10 GHCDLO C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C[C@]1(C)O ZINC001237783474 1042367346 /nfs/dbraw/zinc/36/73/46/1042367346.db2.gz INRXZDQWUPHUJP-OTYXRUKQSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C[C@]1(C)O ZINC001237783474 1042367351 /nfs/dbraw/zinc/36/73/51/1042367351.db2.gz INRXZDQWUPHUJP-OTYXRUKQSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@]1(C)O ZINC001237784920 1042368699 /nfs/dbraw/zinc/36/86/99/1042368699.db2.gz ZIRDZYOHGKHYJH-YMTOWFKASA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@]1(C)O ZINC001237784920 1042368702 /nfs/dbraw/zinc/36/87/02/1042368702.db2.gz ZIRDZYOHGKHYJH-YMTOWFKASA-N 1 2 382.220 3.766 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]2C1 ZINC001237799047 1042375795 /nfs/dbraw/zinc/37/57/95/1042375795.db2.gz NKTOHZNQVUDPBX-OCCSQVGLSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]2C1 ZINC001237799047 1042375797 /nfs/dbraw/zinc/37/57/97/1042375797.db2.gz NKTOHZNQVUDPBX-OCCSQVGLSA-N 1 2 384.879 3.874 20 10 GHCDLO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4cc(F)cc(Cl)c4O)C[C@@H]3C2=O)c1 ZINC001237799323 1042376359 /nfs/dbraw/zinc/37/63/59/1042376359.db2.gz GHXCCXJKMDDYOJ-WMZOPIPTSA-N 1 2 388.870 3.584 20 10 GHCDLO Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cc(F)cc(Cl)c4O)C[C@@H]3C2=O)c1 ZINC001237799323 1042376362 /nfs/dbraw/zinc/37/63/62/1042376362.db2.gz GHXCCXJKMDDYOJ-WMZOPIPTSA-N 1 2 388.870 3.584 20 10 GHCDLO O=C1C[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1cccc(F)c1 ZINC001237813873 1042382258 /nfs/dbraw/zinc/38/22/58/1042382258.db2.gz NKWDSVUCLWRMMV-HXUWFJFHSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1C[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1cccc(F)c1 ZINC001237813873 1042382265 /nfs/dbraw/zinc/38/22/65/1042382265.db2.gz NKWDSVUCLWRMMV-HXUWFJFHSA-N 1 2 392.833 3.953 20 10 GHCDLO COc1ccoc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001237873196 1042404137 /nfs/dbraw/zinc/40/41/37/1042404137.db2.gz PRBDSEJHGWSEHH-UHFFFAOYSA-N 1 2 379.460 3.584 20 10 GHCDLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)c1 ZINC001237939718 1042430084 /nfs/dbraw/zinc/43/00/84/1042430084.db2.gz FJVUNYFWURWJJC-CQSZACIVSA-N 1 2 397.899 3.968 20 10 GHCDLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)c1 ZINC001237939718 1042430088 /nfs/dbraw/zinc/43/00/88/1042430088.db2.gz FJVUNYFWURWJJC-CQSZACIVSA-N 1 2 397.899 3.968 20 10 GHCDLO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)Cc2cc(F)cc(C)c2O)cn1 ZINC001238060516 1042478787 /nfs/dbraw/zinc/47/87/87/1042478787.db2.gz BRIMEFSPONGULD-UHFFFAOYSA-N 1 2 385.487 3.609 20 10 GHCDLO CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)Cc2cc(F)cc(C)c2O)cn1 ZINC001238060516 1042478790 /nfs/dbraw/zinc/47/87/90/1042478790.db2.gz BRIMEFSPONGULD-UHFFFAOYSA-N 1 2 385.487 3.609 20 10 GHCDLO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC001307745726 1049557798 /nfs/dbraw/zinc/55/77/98/1049557798.db2.gz FGHFIIUNQFUYPL-QGZVFWFLSA-N 1 2 380.460 3.567 20 10 GHCDLO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC001307745726 1049557805 /nfs/dbraw/zinc/55/78/05/1049557805.db2.gz FGHFIIUNQFUYPL-QGZVFWFLSA-N 1 2 380.460 3.567 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC001308446945 1049978260 /nfs/dbraw/zinc/97/82/60/1049978260.db2.gz FEPBCDKTNCSINB-GFCCVEGCSA-N 1 2 384.270 3.937 20 10 GHCDLO COC(=O)[C@@H](COC1CCC1)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC001308572091 1050014327 /nfs/dbraw/zinc/01/43/27/1050014327.db2.gz XZQPIPIDUGXVAX-OAQYLSRUSA-N 1 2 399.487 3.514 20 10 GHCDLO COC(=O)[C@@H](COC1CCC1)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC001308572091 1050014335 /nfs/dbraw/zinc/01/43/35/1050014335.db2.gz XZQPIPIDUGXVAX-OAQYLSRUSA-N 1 2 399.487 3.514 20 10 GHCDLO Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c(O)c1 ZINC001308693732 1050061440 /nfs/dbraw/zinc/06/14/40/1050061440.db2.gz VIRUXQVLIFUHER-UHFFFAOYSA-N 1 2 390.325 3.827 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1Cl ZINC001308826715 1050110971 /nfs/dbraw/zinc/11/09/71/1050110971.db2.gz XAIJZYZWFZHAMH-HXUWFJFHSA-N 1 2 384.907 3.903 20 10 GHCDLO CN1CCN(c2ccc(C[N@H+](C)Cc3ccc(Br)o3)cc2F)CC1 ZINC001319691320 1055400448 /nfs/dbraw/zinc/40/04/48/1055400448.db2.gz NIMKOODFLSAWLJ-UHFFFAOYSA-N 1 2 396.304 3.565 20 10 GHCDLO CN1CCN(c2ccc(C[N@@H+](C)Cc3ccc(Br)o3)cc2F)CC1 ZINC001319691320 1055400454 /nfs/dbraw/zinc/40/04/54/1055400454.db2.gz NIMKOODFLSAWLJ-UHFFFAOYSA-N 1 2 396.304 3.565 20 10 GHCDLO Cc1cc(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)n1-c1ccccc1 ZINC001352566748 1065141274 /nfs/dbraw/zinc/14/12/74/1065141274.db2.gz KPMVSPSDFQEKGD-UHFFFAOYSA-N 1 2 388.515 3.948 20 10 GHCDLO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)nc1C ZINC001474687078 1074515254 /nfs/dbraw/zinc/51/52/54/1074515254.db2.gz CJWUIVIPXXGFQS-LBPRGKRZSA-N 1 2 382.432 3.602 20 10 GHCDLO CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nc1C ZINC001474687078 1074515261 /nfs/dbraw/zinc/51/52/61/1074515261.db2.gz CJWUIVIPXXGFQS-LBPRGKRZSA-N 1 2 382.432 3.602 20 10 GHCDLO CC[C@H](C[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1)NC(=O)OC(C)(C)C ZINC001209471030 836619985 /nfs/dbraw/zinc/61/99/85/836619985.db2.gz ZVOAWRHXGLPRLP-OAHLLOKOSA-N 1 2 387.524 3.848 20 10 GHCDLO CC[C@H](C[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1)NC(=O)OC(C)(C)C ZINC001209471030 836619988 /nfs/dbraw/zinc/61/99/88/836619988.db2.gz ZVOAWRHXGLPRLP-OAHLLOKOSA-N 1 2 387.524 3.848 20 10 GHCDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(Br)cc(F)c1O ZINC000894061747 844451396 /nfs/dbraw/zinc/45/13/96/844451396.db2.gz JSKBOSAXNVEIOK-QFIPXVFZSA-N 1 2 386.286 3.663 20 10 GHCDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(Br)cc(F)c1O ZINC000894061747 844451404 /nfs/dbraw/zinc/45/14/04/844451404.db2.gz JSKBOSAXNVEIOK-QFIPXVFZSA-N 1 2 386.286 3.663 20 10 GHCDLO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756616382 840375110 /nfs/dbraw/zinc/37/51/10/840375110.db2.gz ZCMFEMNDKFCIJM-ZJUUUORDSA-N 1 2 384.293 3.926 20 10 GHCDLO CC(C)OCCOC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894932731 854230192 /nfs/dbraw/zinc/23/01/92/854230192.db2.gz IQWQGKZAEGTSTC-UHFFFAOYSA-N 1 2 390.293 3.700 20 10 GHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894569 855124910 /nfs/dbraw/zinc/12/49/10/855124910.db2.gz HIBNAAZKJMOIDI-UHFFFAOYSA-N 1 2 377.492 3.670 20 10 GHCDLO C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3cccc(Cl)c3O)c2)C1=O ZINC000793607689 882319678 /nfs/dbraw/zinc/31/96/78/882319678.db2.gz TVOMPBHQQXOHPI-OAQYLSRUSA-N 1 2 399.878 3.560 20 10 GHCDLO Cn1ccc([C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)c2ccc(F)cc2)n1 ZINC000775622065 872060021 /nfs/dbraw/zinc/06/00/21/872060021.db2.gz PDGVKKVTRLLJDR-JOCHJYFZSA-N 1 2 396.535 3.992 20 10 GHCDLO CCOC(=O)C[N@H+](CCOc1ccc(SC)cc1)Cc1ccccc1O ZINC001195358856 872347305 /nfs/dbraw/zinc/34/73/05/872347305.db2.gz RVWZYWQCROWWGR-UHFFFAOYSA-N 1 2 375.490 3.558 20 10 GHCDLO CCOC(=O)C[N@@H+](CCOc1ccc(SC)cc1)Cc1ccccc1O ZINC001195358856 872347326 /nfs/dbraw/zinc/34/73/26/872347326.db2.gz RVWZYWQCROWWGR-UHFFFAOYSA-N 1 2 375.490 3.558 20 10 GHCDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)s1 ZINC000775666384 872533777 /nfs/dbraw/zinc/53/37/77/872533777.db2.gz XFICTUUJZFPCMW-UHFFFAOYSA-N 1 2 382.888 3.949 20 10 GHCDLO COc1cccc(O)c1C[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000768181518 873151208 /nfs/dbraw/zinc/15/12/08/873151208.db2.gz XIFPEBBQLRYUTM-UHFFFAOYSA-N 1 2 393.281 3.542 20 10 GHCDLO COc1cccc(O)c1C[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000768181518 873151217 /nfs/dbraw/zinc/15/12/17/873151217.db2.gz XIFPEBBQLRYUTM-UHFFFAOYSA-N 1 2 393.281 3.542 20 10 GHCDLO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)o1 ZINC000527587981 873325676 /nfs/dbraw/zinc/32/56/76/873325676.db2.gz PCSHHCXWPZJYJA-UHFFFAOYSA-N 1 2 380.847 3.789 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCOC3(CCOCC3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000769228545 873905668 /nfs/dbraw/zinc/90/56/68/873905668.db2.gz CIAZRZNMKWTDFK-UHFFFAOYSA-N 1 2 396.531 3.857 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCOC3(CCOCC3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000769228545 873905688 /nfs/dbraw/zinc/90/56/88/873905688.db2.gz CIAZRZNMKWTDFK-UHFFFAOYSA-N 1 2 396.531 3.857 20 10 GHCDLO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000775830775 874273083 /nfs/dbraw/zinc/27/30/83/874273083.db2.gz CAURVSFZLGAJDX-GOSISDBHSA-N 1 2 378.875 3.754 20 10 GHCDLO OC[C@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccc(OC(F)(F)F)cc1 ZINC000776247227 876026990 /nfs/dbraw/zinc/02/69/90/876026990.db2.gz BEEWDKVQHXDUDJ-ZDUSSCGKSA-N 1 2 389.801 3.885 20 10 GHCDLO CC(C)(CCCO)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776255814 876061011 /nfs/dbraw/zinc/06/10/11/876061011.db2.gz JDQSEAUTLUPLKY-UHFFFAOYSA-N 1 2 395.135 3.806 20 10 GHCDLO O=C(NCCCSc1nccs1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000151958547 876282493 /nfs/dbraw/zinc/28/24/93/876282493.db2.gz JBTJHVNGBVFMHN-UHFFFAOYSA-N 1 2 391.566 3.510 20 10 GHCDLO OC1CCN(c2ccc(CNc3nc4ccccc4n4c[nH+]cc34)cc2F)CC1 ZINC000858355053 883044028 /nfs/dbraw/zinc/04/40/28/883044028.db2.gz MSAUDEFCNAYIDW-UHFFFAOYSA-N 1 2 391.450 3.595 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cc(Br)c(F)cc1O ZINC000850501266 876976503 /nfs/dbraw/zinc/97/65/03/876976503.db2.gz LOECYSLEVFONHJ-OSSIZCQKSA-N 1 2 378.307 3.634 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cc(Br)cc(F)c1O ZINC000850503238 876977693 /nfs/dbraw/zinc/97/76/93/876977693.db2.gz VFUFMWSOWIYFJD-BIPKQBFHSA-N 1 2 378.307 3.634 20 10 GHCDLO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)cc(F)c1O ZINC000850562708 877028568 /nfs/dbraw/zinc/02/85/68/877028568.db2.gz PENMRTYZQAXYMK-APPDUMDISA-N 1 2 390.293 3.512 20 10 GHCDLO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000858449709 883104680 /nfs/dbraw/zinc/10/46/80/883104680.db2.gz RPXMLDNVPJODLQ-UFBFGSQYSA-N 1 2 396.182 3.945 20 10 GHCDLO COc1cc(N2CC[NH+](Cc3nsc4ccccc43)CC2)cc(OC)c1OC ZINC000851936294 877988175 /nfs/dbraw/zinc/98/81/75/877988175.db2.gz KSCVUOBZPIFBFO-UHFFFAOYSA-N 1 2 399.516 3.644 20 10 GHCDLO C[C@@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cc(Cl)c(Cl)cc1O ZINC000788610190 878166716 /nfs/dbraw/zinc/16/67/16/878166716.db2.gz RZODRZFLAQOKLD-LLVKDONJSA-N 1 2 394.302 3.716 20 10 GHCDLO C[C@@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cc(Cl)c(Cl)cc1O ZINC000788610190 878166722 /nfs/dbraw/zinc/16/67/22/878166722.db2.gz RZODRZFLAQOKLD-LLVKDONJSA-N 1 2 394.302 3.716 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CCC[C@H]1O ZINC001203563862 912404081 /nfs/dbraw/zinc/40/40/81/912404081.db2.gz AHRANBYZCWPQOR-NOZJJQNGSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CCC[C@H]1O ZINC001203563862 912404087 /nfs/dbraw/zinc/40/40/87/912404087.db2.gz AHRANBYZCWPQOR-NOZJJQNGSA-N 1 2 393.119 3.510 20 10 GHCDLO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1)OCc1ccccc1 ZINC001183395381 912476152 /nfs/dbraw/zinc/47/61/52/912476152.db2.gz LUNLRPKTDPELDL-UHFFFAOYSA-N 1 2 376.403 3.561 20 10 GHCDLO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000776809800 880491019 /nfs/dbraw/zinc/49/10/19/880491019.db2.gz VKLKZTAKFIJUPB-TZMCWYRMSA-N 1 2 385.302 3.501 20 10 GHCDLO CCC[N@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000772797141 881118039 /nfs/dbraw/zinc/11/80/39/881118039.db2.gz DEKBAUUMCFONAV-QGZVFWFLSA-N 1 2 395.272 3.732 20 10 GHCDLO CCC[N@@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000772797141 881118051 /nfs/dbraw/zinc/11/80/51/881118051.db2.gz DEKBAUUMCFONAV-QGZVFWFLSA-N 1 2 395.272 3.732 20 10 GHCDLO CNC(=O)CC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)CC1 ZINC000175022122 883189545 /nfs/dbraw/zinc/18/95/45/883189545.db2.gz ZGBRHDFCQVFNJN-UHFFFAOYSA-N 1 2 399.510 3.572 20 10 GHCDLO CC[NH+](CC)CC(=O)Nc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000806181668 884424302 /nfs/dbraw/zinc/42/43/02/884424302.db2.gz GSCUWVSIWIVLGN-CQSZACIVSA-N 1 2 386.452 3.754 20 10 GHCDLO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)c(OC)c1 ZINC000898218855 884636043 /nfs/dbraw/zinc/63/60/43/884636043.db2.gz RACYSBWANBSXPO-GFCCVEGCSA-N 1 2 378.856 3.570 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC001168200129 885555208 /nfs/dbraw/zinc/55/52/08/885555208.db2.gz FUOYUDLUYRPOFF-OWCLPIDISA-N 1 2 390.483 3.767 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC001168200129 885555217 /nfs/dbraw/zinc/55/52/17/885555217.db2.gz FUOYUDLUYRPOFF-OWCLPIDISA-N 1 2 390.483 3.767 20 10 GHCDLO OC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccc(Br)cc1 ZINC000763440299 886067467 /nfs/dbraw/zinc/06/74/67/886067467.db2.gz AYTNRPYNXFNZRM-CYBMUJFWSA-N 1 2 384.701 3.749 20 10 GHCDLO Cc1ccc([C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000862353073 886311804 /nfs/dbraw/zinc/31/18/04/886311804.db2.gz SMKKAFTWDPXKIB-VLIAUNLRSA-N 1 2 396.503 3.603 20 10 GHCDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc(C)ccc3O)c2C1 ZINC000862757615 886585012 /nfs/dbraw/zinc/58/50/12/886585012.db2.gz ZXIIXPOGPZQSLK-UHFFFAOYSA-N 1 2 375.472 3.557 20 10 GHCDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc(C)ccc3O)c2C1 ZINC000862757615 886585027 /nfs/dbraw/zinc/58/50/27/886585027.db2.gz ZXIIXPOGPZQSLK-UHFFFAOYSA-N 1 2 375.472 3.557 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000863546701 887205242 /nfs/dbraw/zinc/20/52/42/887205242.db2.gz MYRFRTYDRKSGGT-WCABBAIRSA-N 1 2 392.135 3.708 20 10 GHCDLO COC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)c(Br)c1 ZINC000809753118 887793858 /nfs/dbraw/zinc/79/38/58/887793858.db2.gz ASDCWEOAUIQTMN-UHFFFAOYSA-N 1 2 384.657 3.885 20 10 GHCDLO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cccc(Cl)c1O ZINC000287876005 913572677 /nfs/dbraw/zinc/57/26/77/913572677.db2.gz YDCGTKNYPBZIGM-INIZCTEOSA-N 1 2 382.913 3.537 20 10 GHCDLO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cccc(Cl)c1O ZINC000287876008 913572908 /nfs/dbraw/zinc/57/29/08/913572908.db2.gz YDCGTKNYPBZIGM-MRXNPFEDSA-N 1 2 382.913 3.537 20 10 GHCDLO CCn1c(-c2ccc(Br)cc2)cnc1SCC[NH+]1CCOCC1 ZINC000918049203 893055041 /nfs/dbraw/zinc/05/50/41/893055041.db2.gz HXSLODGIGZFNER-UHFFFAOYSA-N 1 2 396.354 3.757 20 10 GHCDLO CCN(C)c1ccc([C@@H](C)Nc2ccc(N3CCN(C(=O)OC)CC3)[nH+]c2)cc1 ZINC000815654314 894099003 /nfs/dbraw/zinc/09/90/03/894099003.db2.gz HXXVNBKMOWCWAC-QGZVFWFLSA-N 1 2 397.523 3.599 20 10 GHCDLO CC(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cs1 ZINC000815834853 894247794 /nfs/dbraw/zinc/24/77/94/894247794.db2.gz CJWXVSPNXQVFCM-INIZCTEOSA-N 1 2 392.908 3.704 20 10 GHCDLO CC(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cs1 ZINC000815834853 894247808 /nfs/dbraw/zinc/24/78/08/894247808.db2.gz CJWXVSPNXQVFCM-INIZCTEOSA-N 1 2 392.908 3.704 20 10 GHCDLO O=C(c1ccccc1)N1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816553515 894938459 /nfs/dbraw/zinc/93/84/59/894938459.db2.gz YGVSGTHBYUYILV-UHFFFAOYSA-N 1 2 376.859 3.827 20 10 GHCDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nn1 ZINC000817420696 895597249 /nfs/dbraw/zinc/59/72/49/895597249.db2.gz XUJIWSOQYFQRBV-UHFFFAOYSA-N 1 2 386.500 3.782 20 10 GHCDLO CN(C)C(=O)C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccccc1 ZINC000882919531 897107965 /nfs/dbraw/zinc/10/79/65/897107965.db2.gz LRGKDIIDZWAFIK-INIZCTEOSA-N 1 2 395.272 3.603 20 10 GHCDLO COc1cc(O)c(C[NH2+][C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000289733936 914320173 /nfs/dbraw/zinc/32/01/73/914320173.db2.gz PAHITOBVNAFPSQ-NSHDSACASA-N 1 2 389.839 3.964 20 10 GHCDLO COc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824934106 899895033 /nfs/dbraw/zinc/89/50/33/899895033.db2.gz PUERMCOUKLBOBX-APWZRJJASA-N 1 2 389.492 3.616 20 10 GHCDLO COc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824934106 899895046 /nfs/dbraw/zinc/89/50/46/899895046.db2.gz PUERMCOUKLBOBX-APWZRJJASA-N 1 2 389.492 3.616 20 10 GHCDLO Oc1ccc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)nc1 ZINC001144269226 901543913 /nfs/dbraw/zinc/54/39/13/901543913.db2.gz HCGNZFINJHNBTN-UHFFFAOYSA-N 1 2 375.472 3.688 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001144299541 901649616 /nfs/dbraw/zinc/64/96/16/901649616.db2.gz ABAUXXXTYPUHIP-CQSZACIVSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001144299541 901649623 /nfs/dbraw/zinc/64/96/23/901649623.db2.gz ABAUXXXTYPUHIP-CQSZACIVSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1ccc(Br)cc1CNc1cc[nH+]c(OC2CCOCC2)c1 ZINC001171176230 902093848 /nfs/dbraw/zinc/09/38/48/902093848.db2.gz LHVHZSRQZKNSNJ-UHFFFAOYSA-N 1 2 379.254 3.720 20 10 GHCDLO Nc1ccc2c(c1Nc1ccc(N3CCCC3)[nH+]c1)C(=O)c1ccccc1C2=O ZINC001175351407 907513318 /nfs/dbraw/zinc/51/33/18/907513318.db2.gz KWVDEHXENUTWIU-UHFFFAOYSA-N 1 2 384.439 3.783 20 10 GHCDLO C[C@H]([NH2+]Cc1ccnn1C)c1cc(Br)cc(Br)c1O ZINC000184996207 907693627 /nfs/dbraw/zinc/69/36/27/907693627.db2.gz CHWPTRYKJZNAMW-QMMMGPOBSA-N 1 2 389.091 3.502 20 10 GHCDLO Nc1cc(C(F)(F)F)c(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)c[nH+]1 ZINC001175715525 907700725 /nfs/dbraw/zinc/70/07/25/907700725.db2.gz NXWRENONYUATKF-UHFFFAOYSA-N 1 2 398.344 3.784 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001177323197 908526385 /nfs/dbraw/zinc/52/63/85/908526385.db2.gz GIEXEIPJJXVBOK-LBPRGKRZSA-N 1 2 392.858 3.693 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCc1ccoc1 ZINC001179160501 909407106 /nfs/dbraw/zinc/40/71/06/909407106.db2.gz XSJZEELPXNKRBC-UHFFFAOYSA-N 1 2 375.060 3.843 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC001179338071 909495576 /nfs/dbraw/zinc/49/55/76/909495576.db2.gz AGYWCGHVMPZLRN-UHFFFAOYSA-N 1 2 378.875 3.696 20 10 GHCDLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000269127905 910151561 /nfs/dbraw/zinc/15/15/61/910151561.db2.gz YUMSMRDOVQIUOQ-KBPBESRZSA-N 1 2 379.501 3.677 20 10 GHCDLO CCCc1cccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000773899523 910525510 /nfs/dbraw/zinc/52/55/10/910525510.db2.gz OUKXVEUKUMMNFE-OBGWFSINSA-N 1 2 390.574 3.563 20 10 GHCDLO COc1ccc(N2CCC(Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)[nH+]c3)CC2)cc1 ZINC001181348664 910741040 /nfs/dbraw/zinc/74/10/40/910741040.db2.gz HVNPARUBFCVLTO-ROUUACIJSA-N 1 2 396.535 3.785 20 10 GHCDLO C[NH+](C)[C@H](CNC(=O)CCc1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl ZINC001182157053 911213747 /nfs/dbraw/zinc/21/37/47/911213747.db2.gz FYVGEWZHJSCFHL-MRXNPFEDSA-N 1 2 397.302 3.756 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C1CCN(CC(F)(F)F)CC1 ZINC001182346363 911519713 /nfs/dbraw/zinc/51/97/13/911519713.db2.gz YPJAJVSRCOXOLW-UHFFFAOYSA-N 1 2 399.226 3.752 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C1CCN(CC(F)(F)F)CC1 ZINC001182346363 911519724 /nfs/dbraw/zinc/51/97/24/911519724.db2.gz YPJAJVSRCOXOLW-UHFFFAOYSA-N 1 2 399.226 3.752 20 10 GHCDLO COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(Br)c2O)cc1O ZINC000775152683 915598967 /nfs/dbraw/zinc/59/89/67/915598967.db2.gz OTSJAPATOXIUKB-LBPRGKRZSA-N 1 2 380.282 3.980 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC001191486722 918018100 /nfs/dbraw/zinc/01/81/00/918018100.db2.gz SYVVAHYIGUMOJA-KFWWJZLASA-N 1 2 376.456 3.519 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@H]1C ZINC001191486722 918018109 /nfs/dbraw/zinc/01/81/09/918018109.db2.gz SYVVAHYIGUMOJA-KFWWJZLASA-N 1 2 376.456 3.519 20 10 GHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000298770732 920908417 /nfs/dbraw/zinc/90/84/17/920908417.db2.gz REDLIQGXMQXMSL-UHFFFAOYSA-N 1 2 391.519 3.729 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000750037761 927399750 /nfs/dbraw/zinc/39/97/50/927399750.db2.gz BPCXSZUSTTVZKY-UHFFFAOYSA-N 1 2 382.888 3.691 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000750037761 927399766 /nfs/dbraw/zinc/39/97/66/927399766.db2.gz BPCXSZUSTTVZKY-UHFFFAOYSA-N 1 2 382.888 3.691 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000375170667 928001704 /nfs/dbraw/zinc/00/17/04/928001704.db2.gz ILGBSWFWUGGADB-INIZCTEOSA-N 1 2 378.856 3.644 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000375170667 928001717 /nfs/dbraw/zinc/00/17/17/928001717.db2.gz ILGBSWFWUGGADB-INIZCTEOSA-N 1 2 378.856 3.644 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2C)cc1 ZINC000751409886 928177083 /nfs/dbraw/zinc/17/70/83/928177083.db2.gz BCKJTDTWIMIIIU-UHFFFAOYSA-N 1 2 378.476 3.846 20 10 GHCDLO Cc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C)n1-c1ccc(F)cc1 ZINC000753182645 929240593 /nfs/dbraw/zinc/24/05/93/929240593.db2.gz FWOLISSQGCECCP-GOSISDBHSA-N 1 2 378.451 3.637 20 10 GHCDLO C[N@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1(C(N)=O)CCCC1 ZINC000757641507 929756104 /nfs/dbraw/zinc/75/61/04/929756104.db2.gz JARSRJMPLLIJQS-UHFFFAOYSA-N 1 2 379.464 3.770 20 10 GHCDLO C[N@@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1(C(N)=O)CCCC1 ZINC000757641507 929756108 /nfs/dbraw/zinc/75/61/08/929756108.db2.gz JARSRJMPLLIJQS-UHFFFAOYSA-N 1 2 379.464 3.770 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@@H]1CCCOC1 ZINC000780780095 931270565 /nfs/dbraw/zinc/27/05/65/931270565.db2.gz ICUMEBAVCUBWIC-NXEZZACHSA-N 1 2 393.119 3.822 20 10 GHCDLO O=C1/C(=C/c2cc(-n3cc[nH+]c3)cs2)SC(=S)N1CCc1ccccn1 ZINC000783697246 931621762 /nfs/dbraw/zinc/62/17/62/931621762.db2.gz BQPYUKNFYBDDKC-YBEGLDIGSA-N 1 2 398.538 3.773 20 10 GHCDLO C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cc(C(=O)[O-])ccc1O ZINC001593210188 994244234 /nfs/dbraw/zinc/24/42/34/994244234.db2.gz NIOVNIMUCWODJR-DLBZAZTESA-N 1 2 398.503 3.641 20 10 GHCDLO Nc1ccc(NC(=O)Nc2ccc(NC(=O)c3cccc4[nH+]ccn43)cc2)cc1 ZINC001154523491 1032160153 /nfs/dbraw/zinc/16/01/53/1032160153.db2.gz DDNZMHWZWRXLBD-UHFFFAOYSA-N 1 2 386.415 3.813 20 10 GHCDLO COC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)Cc2nn(CC3CC3)cc21 ZINC001204327690 1032770258 /nfs/dbraw/zinc/77/02/58/1032770258.db2.gz FHMWXJQWSIDBPM-FQEVSTJZSA-N 1 2 380.536 3.639 20 10 GHCDLO COC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)Cc2nn(CC3CC3)cc21 ZINC001204327690 1032770264 /nfs/dbraw/zinc/77/02/64/1032770264.db2.gz FHMWXJQWSIDBPM-FQEVSTJZSA-N 1 2 380.536 3.639 20 10 GHCDLO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000800901113 1021348639 /nfs/dbraw/zinc/34/86/39/1021348639.db2.gz CCULXAQTSOLPQE-OAHLLOKOSA-N 1 2 390.281 3.551 20 10 GHCDLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC001204608241 1032992117 /nfs/dbraw/zinc/99/21/17/1032992117.db2.gz FSVGJNIUBZIDTM-HNNXBMFYSA-N 1 2 376.859 3.969 20 10 GHCDLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC001204608241 1032992127 /nfs/dbraw/zinc/99/21/27/1032992127.db2.gz FSVGJNIUBZIDTM-HNNXBMFYSA-N 1 2 376.859 3.969 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCOC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000754659597 1022814954 /nfs/dbraw/zinc/81/49/54/1022814954.db2.gz ZLWFBHSKELBAQL-INIZCTEOSA-N 1 2 378.419 3.599 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)[C@H]2CCOC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000754659597 1022814970 /nfs/dbraw/zinc/81/49/70/1022814970.db2.gz ZLWFBHSKELBAQL-INIZCTEOSA-N 1 2 378.419 3.599 20 10 GHCDLO CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccccc1OCC(=O)N(C)C ZINC000756434748 1023647727 /nfs/dbraw/zinc/64/77/27/1023647727.db2.gz YQXBFFBHKHFJMV-ACJLOTCBSA-N 1 2 392.446 3.939 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1cc(F)cc(F)c1O ZINC000756474512 1023674145 /nfs/dbraw/zinc/67/41/45/1023674145.db2.gz JAAHMXIHZAAKND-BFUOFWGJSA-N 1 2 380.410 3.534 20 10 GHCDLO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(Br)c(F)cc1O ZINC000756576441 1023718889 /nfs/dbraw/zinc/71/88/89/1023718889.db2.gz UIQJNZKYFIMXBE-LLVKDONJSA-N 1 2 381.245 3.973 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)cc(F)c1O ZINC000756582354 1023720673 /nfs/dbraw/zinc/72/06/73/1023720673.db2.gz HORGAOJNCLBCTO-GMXVVIOVSA-N 1 2 387.293 3.591 20 10 GHCDLO C[C@H]([NH2+]C1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCOCC1)c1ccccc1 ZINC000756594827 1023727565 /nfs/dbraw/zinc/72/75/65/1023727565.db2.gz PLTQOYPTIQLKEO-IRXDYDNUSA-N 1 2 399.491 3.851 20 10 GHCDLO COc1cc(CN2CC[C@H]([NH2+][C@H](C)c3cc(F)cc(F)c3O)C2)cc(OC)c1 ZINC000756647954 1023753267 /nfs/dbraw/zinc/75/32/67/1023753267.db2.gz UHOSWTYWFLZKAU-CJNGLKHVSA-N 1 2 392.446 3.613 20 10 GHCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c1 ZINC000756650273 1023754038 /nfs/dbraw/zinc/75/40/38/1023754038.db2.gz VGNKZWNAFKUWTB-QGZVFWFLSA-N 1 2 393.487 3.859 20 10 GHCDLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(Br)cc(F)c1O ZINC000756743760 1023796145 /nfs/dbraw/zinc/79/61/45/1023796145.db2.gz VSXRXYBKZPYEQG-LLVKDONJSA-N 1 2 391.244 3.725 20 10 GHCDLO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756774985 1023810247 /nfs/dbraw/zinc/81/02/47/1023810247.db2.gz FSSZWMDGSSELRH-SVRRBLITSA-N 1 2 376.600 3.772 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000830733409 1024112826 /nfs/dbraw/zinc/11/28/26/1024112826.db2.gz JGVLSPWZQDJOHT-QUCCMNQESA-N 1 2 377.843 3.548 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000830733409 1024112839 /nfs/dbraw/zinc/11/28/39/1024112839.db2.gz JGVLSPWZQDJOHT-QUCCMNQESA-N 1 2 377.843 3.548 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141373210 1024762837 /nfs/dbraw/zinc/76/28/37/1024762837.db2.gz RWRNXYODEAFEJL-JTQLQIEISA-N 1 2 390.705 3.972 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141373210 1024762855 /nfs/dbraw/zinc/76/28/55/1024762855.db2.gz RWRNXYODEAFEJL-JTQLQIEISA-N 1 2 390.705 3.972 20 10 GHCDLO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141374481 1024767432 /nfs/dbraw/zinc/76/74/32/1024767432.db2.gz JOPOITCRQYQEGS-LLVKDONJSA-N 1 2 390.705 3.973 20 10 GHCDLO CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141374481 1024767437 /nfs/dbraw/zinc/76/74/37/1024767437.db2.gz JOPOITCRQYQEGS-LLVKDONJSA-N 1 2 390.705 3.973 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCn3ncc(Br)c3C2)c(OC)c1 ZINC001138392303 1024769633 /nfs/dbraw/zinc/76/96/33/1024769633.db2.gz UYBCHFMVKYVWHW-UHFFFAOYSA-N 1 2 393.329 3.516 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCn3ncc(Br)c3C2)c(OC)c1 ZINC001138392303 1024769646 /nfs/dbraw/zinc/76/96/46/1024769646.db2.gz UYBCHFMVKYVWHW-UHFFFAOYSA-N 1 2 393.329 3.516 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001139129631 1025941965 /nfs/dbraw/zinc/94/19/65/1025941965.db2.gz BOQDMMWACHHFHX-GOSISDBHSA-N 1 2 379.456 3.988 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001139129631 1025941972 /nfs/dbraw/zinc/94/19/72/1025941972.db2.gz BOQDMMWACHHFHX-GOSISDBHSA-N 1 2 379.456 3.988 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210215754 1027386632 /nfs/dbraw/zinc/38/66/32/1027386632.db2.gz MRRGALPHHWXQFA-MRXNPFEDSA-N 1 2 381.701 3.955 20 10 GHCDLO COc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c(O)c1 ZINC001203634922 1027491845 /nfs/dbraw/zinc/49/18/45/1027491845.db2.gz BKAPHEZFDYKESD-LJQANCHMSA-N 1 2 380.410 3.650 20 10 GHCDLO COc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c(O)c1 ZINC001203634922 1027491856 /nfs/dbraw/zinc/49/18/56/1027491856.db2.gz BKAPHEZFDYKESD-LJQANCHMSA-N 1 2 380.410 3.650 20 10 GHCDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1C ZINC000840488091 1027573737 /nfs/dbraw/zinc/57/37/37/1027573737.db2.gz JAKMPUGMFZKJRT-KRWDZBQOSA-N 1 2 398.551 3.854 20 10 GHCDLO OCC1([C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)c2ccccc2)CCOCC1 ZINC000840973166 1028011345 /nfs/dbraw/zinc/01/13/45/1028011345.db2.gz ZYTMPUQTAJJOQL-IBGZPJMESA-N 1 2 379.859 3.805 20 10 GHCDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461690245 1069681070 /nfs/dbraw/zinc/68/10/70/1069681070.db2.gz YYWGYDLLTMRHIN-LOKDSWTASA-N 1 2 393.119 3.819 20 10 GHCDLO O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3)c-2cc1O[C@H]1CC[NH2+]C1 ZINC001218180147 1030810281 /nfs/dbraw/zinc/81/02/81/1030810281.db2.gz JJLYAFBQXZXVHU-AWEZNQCLSA-N 1 2 389.407 3.717 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277509121 1034536943 /nfs/dbraw/zinc/53/69/43/1034536943.db2.gz AVTKDKHVRSFNEL-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277509121 1034536954 /nfs/dbraw/zinc/53/69/54/1034536954.db2.gz AVTKDKHVRSFNEL-INIZCTEOSA-N 1 2 394.796 3.704 20 10 GHCDLO COc1ccc(Br)c(C[NH+]2CCN(c3ccccc3F)CC2)c1O ZINC001231552858 1034705564 /nfs/dbraw/zinc/70/55/64/1034705564.db2.gz LTGZWRQUMKTYFZ-UHFFFAOYSA-N 1 2 395.272 3.625 20 10 GHCDLO Oc1c(Cl)cccc1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001231909575 1034984834 /nfs/dbraw/zinc/98/48/34/1034984834.db2.gz DIVFZWSRIWDXDJ-UHFFFAOYSA-N 1 2 376.884 3.506 20 10 GHCDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC001231911068 1034986063 /nfs/dbraw/zinc/98/60/63/1034986063.db2.gz AHQXXLIDIYTTSE-RBBKRZOGSA-N 1 2 384.907 3.810 20 10 GHCDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC001231911068 1034986066 /nfs/dbraw/zinc/98/60/66/1034986066.db2.gz AHQXXLIDIYTTSE-RBBKRZOGSA-N 1 2 384.907 3.810 20 10 GHCDLO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)cc1 ZINC001231913208 1034987882 /nfs/dbraw/zinc/98/78/82/1034987882.db2.gz IHAZEFXIRWGGRU-SFHVURJKSA-N 1 2 388.895 3.839 20 10 GHCDLO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)cc1 ZINC001231913208 1034987885 /nfs/dbraw/zinc/98/78/85/1034987885.db2.gz IHAZEFXIRWGGRU-SFHVURJKSA-N 1 2 388.895 3.839 20 10 GHCDLO COc1ccc(C[NH+]2CC3(C2)CCCCC3)c(O)c1I ZINC001248494168 1035913009 /nfs/dbraw/zinc/91/30/09/1035913009.db2.gz LKQVAEGJNLFBAJ-UHFFFAOYSA-N 1 2 387.261 3.772 20 10 GHCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3CCC(=O)C[C@@H]3C)c2)nc1C ZINC001232452682 1038236593 /nfs/dbraw/zinc/23/65/93/1038236593.db2.gz ZCHRKSDTJSGXRI-LBPRGKRZSA-N 1 2 388.489 3.554 20 10 GHCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3CCC(=O)C[C@@H]3C)c2)nc1C ZINC001232452682 1038236597 /nfs/dbraw/zinc/23/65/97/1038236597.db2.gz ZCHRKSDTJSGXRI-LBPRGKRZSA-N 1 2 388.489 3.554 20 10 GHCDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)nc1 ZINC001233031348 1038786274 /nfs/dbraw/zinc/78/62/74/1038786274.db2.gz AABZKDDQUZXTBZ-ZDUSSCGKSA-N 1 2 381.245 3.651 20 10 GHCDLO Oc1c(C[NH+]2CCN(c3noc4ccccc43)CC2)cccc1C(F)(F)F ZINC001233415670 1039269425 /nfs/dbraw/zinc/26/94/25/1039269425.db2.gz FDCJIJYSYVIEDH-UHFFFAOYSA-N 1 2 377.366 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233419201 1039280825 /nfs/dbraw/zinc/28/08/25/1039280825.db2.gz NEFKAVLCGRBKGB-KBPBESRZSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233419201 1039280832 /nfs/dbraw/zinc/28/08/32/1039280832.db2.gz NEFKAVLCGRBKGB-KBPBESRZSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)CC[C@@H]1COCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455296 1039345359 /nfs/dbraw/zinc/34/53/59/1039345359.db2.gz FCJUSRDJHQCDAH-OAHLLOKOSA-N 1 2 389.414 3.734 20 10 GHCDLO CC(C)(C)OC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455296 1039345372 /nfs/dbraw/zinc/34/53/72/1039345372.db2.gz FCJUSRDJHQCDAH-OAHLLOKOSA-N 1 2 389.414 3.734 20 10 GHCDLO O=C(N1CC[N@@H+](Cc2ccc(Cl)cc2O)CC12CCCCC2)C(F)(F)F ZINC001462389953 1070221016 /nfs/dbraw/zinc/22/10/16/1070221016.db2.gz IFBXSFPDQPFVAT-UHFFFAOYSA-N 1 2 390.833 3.955 20 10 GHCDLO O=C(N1CC[N@H+](Cc2ccc(Cl)cc2O)CC12CCCCC2)C(F)(F)F ZINC001462389953 1070221028 /nfs/dbraw/zinc/22/10/28/1070221028.db2.gz IFBXSFPDQPFVAT-UHFFFAOYSA-N 1 2 390.833 3.955 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001235061157 1040549516 /nfs/dbraw/zinc/54/95/16/1040549516.db2.gz OOAHNTXBTWNGPL-UHFFFAOYSA-N 1 2 392.272 3.562 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001235061157 1040549539 /nfs/dbraw/zinc/54/95/39/1040549539.db2.gz OOAHNTXBTWNGPL-UHFFFAOYSA-N 1 2 392.272 3.562 20 10 GHCDLO O=C(C1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1)N1CCCCC1 ZINC001235301388 1040776044 /nfs/dbraw/zinc/77/60/44/1040776044.db2.gz GXRCGSDFDGEQTQ-UHFFFAOYSA-N 1 2 399.304 3.518 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235856742 1041385010 /nfs/dbraw/zinc/38/50/10/1041385010.db2.gz ZYZFYNRBUPHMGK-INIZCTEOSA-N 1 2 381.701 3.955 20 10 GHCDLO O=C1Nc2ccccc2C2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)N1 ZINC001237621565 1042288716 /nfs/dbraw/zinc/28/87/16/1042288716.db2.gz CJQIQMAFAICVGB-UHFFFAOYSA-N 1 2 375.831 3.811 20 10 GHCDLO Oc1c(C[N@@H+]2CC[C@]3(CCOC3)C2)cc(Br)cc1C(F)(F)F ZINC001237783310 1042367620 /nfs/dbraw/zinc/36/76/20/1042367620.db2.gz HITBSSURGIFGKD-AWEZNQCLSA-N 1 2 380.204 3.786 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@]3(CCOC3)C2)cc(Br)cc1C(F)(F)F ZINC001237783310 1042367623 /nfs/dbraw/zinc/36/76/23/1042367623.db2.gz HITBSSURGIFGKD-AWEZNQCLSA-N 1 2 380.204 3.786 20 10 GHCDLO Cc1ncsc1C[N@H+]1[C@@H]2CC[C@H]1CN(Cc1cc(Cl)c(C)cc1O)C2 ZINC001279433671 1047805046 /nfs/dbraw/zinc/80/50/46/1047805046.db2.gz ZOMLWLHUEIKIQO-IYBDPMFKSA-N 1 2 377.941 3.968 20 10 GHCDLO Cc1ncsc1C[N@@H+]1[C@@H]2CC[C@H]1CN(Cc1cc(Cl)c(C)cc1O)C2 ZINC001279433671 1047805051 /nfs/dbraw/zinc/80/50/51/1047805051.db2.gz ZOMLWLHUEIKIQO-IYBDPMFKSA-N 1 2 377.941 3.968 20 10 GHCDLO Cc1ncsc1CN1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001279433671 1047805057 /nfs/dbraw/zinc/80/50/57/1047805057.db2.gz ZOMLWLHUEIKIQO-IYBDPMFKSA-N 1 2 377.941 3.968 20 10 GHCDLO Cc1ncsc1CN1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001279433671 1047805064 /nfs/dbraw/zinc/80/50/64/1047805064.db2.gz ZOMLWLHUEIKIQO-IYBDPMFKSA-N 1 2 377.941 3.968 20 10 GHCDLO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(F)c1[O-] ZINC001279696830 1047920585 /nfs/dbraw/zinc/92/05/85/1047920585.db2.gz BMUYIYIOVHCVJO-GOOCMWNKSA-N 1 2 379.476 3.721 20 10 GHCDLO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(F)c1[O-] ZINC001279696830 1047920589 /nfs/dbraw/zinc/92/05/89/1047920589.db2.gz BMUYIYIOVHCVJO-GOOCMWNKSA-N 1 2 379.476 3.721 20 10 GHCDLO C[C@@H]1COCC[N@@H+]1CCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC001307295528 1049187227 /nfs/dbraw/zinc/18/72/27/1049187227.db2.gz ZARKSAKBLDGZNV-CQSZACIVSA-N 1 2 385.455 3.925 20 10 GHCDLO C[C@@H]1COCC[N@H+]1CCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC001307295528 1049187233 /nfs/dbraw/zinc/18/72/33/1049187233.db2.gz ZARKSAKBLDGZNV-CQSZACIVSA-N 1 2 385.455 3.925 20 10 GHCDLO COc1cc2[nH]c(CCC[NH2+]Cc3cc(F)cc(F)c3O)cc2c(OC)c1 ZINC001308327439 1049949452 /nfs/dbraw/zinc/94/94/52/1049949452.db2.gz KHVLAUUGJZTGRS-UHFFFAOYSA-N 1 2 376.403 3.891 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC001308349975 1049955214 /nfs/dbraw/zinc/95/52/14/1049955214.db2.gz UNABRAHGQJDPJS-GFCCVEGCSA-N 1 2 376.678 3.583 20 10 GHCDLO c1ccc(CN2CCc3cc(C[NH2+]Cc4nc([C@H]5CCCO5)n[nH]4)ccc32)cc1 ZINC000848563235 1057180597 /nfs/dbraw/zinc/18/05/97/1057180597.db2.gz SJMWYNSPPIQQKD-OAQYLSRUSA-N 1 2 389.503 3.509 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC001444668703 1059359433 /nfs/dbraw/zinc/35/94/33/1059359433.db2.gz ZBRIYJSCSJNTJO-UHFFFAOYSA-N 1 2 376.460 3.534 20 10 GHCDLO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)cc1F ZINC001459748212 1064199011 /nfs/dbraw/zinc/19/90/11/1064199011.db2.gz MTFKPKXXNYSMNT-SFHVURJKSA-N 1 2 399.293 3.997 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC001474099799 1074263239 /nfs/dbraw/zinc/26/32/39/1074263239.db2.gz HARQSLBDIXJSGZ-DYEKYZERSA-N 1 2 378.332 3.763 20 10 GHCDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)c(O)c1OC ZINC001474452219 1074412907 /nfs/dbraw/zinc/41/29/07/1074412907.db2.gz KOQJAIUPEYNJRC-QGZVFWFLSA-N 1 2 381.831 3.775 20 10 GHCDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)c(O)c1OC ZINC001474452219 1074412911 /nfs/dbraw/zinc/41/29/11/1074412911.db2.gz KOQJAIUPEYNJRC-QGZVFWFLSA-N 1 2 381.831 3.775 20 10 GHCDLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC001474744936 1074542927 /nfs/dbraw/zinc/54/29/27/1074542927.db2.gz MLAUFNWYXFEQNS-LBPRGKRZSA-N 1 2 376.831 3.780 20 10 GHCDLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000177710566 838868584 /nfs/dbraw/zinc/86/85/84/838868584.db2.gz PGVMDQQDZHDPKT-MRXNPFEDSA-N 1 2 385.483 3.546 20 10 GHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000599523208 861284738 /nfs/dbraw/zinc/28/47/38/861284738.db2.gz OKFNTSZCGXHMNI-SFHVURJKSA-N 1 2 389.503 3.521 20 10 GHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000599523208 861284747 /nfs/dbraw/zinc/28/47/47/861284747.db2.gz OKFNTSZCGXHMNI-SFHVURJKSA-N 1 2 389.503 3.521 20 10 GHCDLO COc1c(O)c(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000279041258 842503581 /nfs/dbraw/zinc/50/35/81/842503581.db2.gz OOPNVTSQXIHURY-SSDOTTSWSA-N 1 2 377.344 3.635 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000732115411 862073453 /nfs/dbraw/zinc/07/34/53/862073453.db2.gz ZPRSMZPYVQLUTH-UHFFFAOYSA-N 1 2 392.503 3.971 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)ccc21 ZINC000590725104 855545563 /nfs/dbraw/zinc/54/55/63/855545563.db2.gz CXOONYZGEXPWPU-IBGZPJMESA-N 1 2 380.492 3.578 20 10 GHCDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)c1C ZINC000057614246 855545753 /nfs/dbraw/zinc/54/57/53/855545753.db2.gz FLXNEPSYPHVVNH-UHFFFAOYSA-N 1 2 382.508 3.649 20 10 GHCDLO CC(C)[C@H](C[NH2+]Cc1cccc(Br)c1O)NC(=O)OC(C)(C)C ZINC000227121410 858445043 /nfs/dbraw/zinc/44/50/43/858445043.db2.gz OASMZGQJDZWQRL-AWEZNQCLSA-N 1 2 387.318 3.794 20 10 GHCDLO COC(=O)Cc1cc[nH+]c(N2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)c1 ZINC000596081443 858775718 /nfs/dbraw/zinc/77/57/18/858775718.db2.gz WYQCMWVIINZTSZ-UHFFFAOYSA-N 1 2 377.444 3.581 20 10 GHCDLO FC(F)Oc1ccc(N2CCC(Nc3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000764806442 859617062 /nfs/dbraw/zinc/61/70/62/859617062.db2.gz JUKBIJQGFCDCDE-UHFFFAOYSA-N 1 2 389.450 3.759 20 10 GHCDLO FC(F)Oc1ccc(N2CCC(Nc3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000764806442 859617067 /nfs/dbraw/zinc/61/70/67/859617067.db2.gz JUKBIJQGFCDCDE-UHFFFAOYSA-N 1 2 389.450 3.759 20 10 GHCDLO CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000282684333 863276662 /nfs/dbraw/zinc/27/66/62/863276662.db2.gz QNZDVYRITRFQMJ-UHFFFAOYSA-N 1 2 398.507 3.766 20 10 GHCDLO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000793610812 882328954 /nfs/dbraw/zinc/32/89/54/882328954.db2.gz POTFCVKEWUYPRL-BBRMVZONSA-N 1 2 392.293 3.665 20 10 GHCDLO CCOc1cccc(C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1O ZINC000182143268 871915669 /nfs/dbraw/zinc/91/56/69/871915669.db2.gz HWKOMBSCZVYAQG-UHFFFAOYSA-N 1 2 377.488 3.788 20 10 GHCDLO CCOc1cccc(C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1O ZINC000182143268 871915674 /nfs/dbraw/zinc/91/56/74/871915674.db2.gz HWKOMBSCZVYAQG-UHFFFAOYSA-N 1 2 377.488 3.788 20 10 GHCDLO CC(=O)N(C)C1CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000103470166 872027042 /nfs/dbraw/zinc/02/70/42/872027042.db2.gz BZPANMCGUUZZJR-UHFFFAOYSA-N 1 2 381.520 3.528 20 10 GHCDLO CCO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775633886 872150841 /nfs/dbraw/zinc/15/08/41/872150841.db2.gz MSAXSCKSWIMQJP-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO CCO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000775633886 872150847 /nfs/dbraw/zinc/15/08/47/872150847.db2.gz MSAXSCKSWIMQJP-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO O=C(N1CC[NH+](Cc2cc(Cl)ccc2O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000768227285 873177607 /nfs/dbraw/zinc/17/76/07/873177607.db2.gz FWMORZKUBFCVPM-UHFFFAOYSA-N 1 2 388.939 3.906 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)[C@H](CO)C(C)(C)C ZINC000775734633 873263007 /nfs/dbraw/zinc/26/30/07/873263007.db2.gz UOUQFBNOLWPPDL-GFCCVEGCSA-N 1 2 395.135 3.756 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@H](CO)C(C)(C)C ZINC000775734633 873263021 /nfs/dbraw/zinc/26/30/21/873263021.db2.gz UOUQFBNOLWPPDL-GFCCVEGCSA-N 1 2 395.135 3.756 20 10 GHCDLO Cc1cc(Br)cc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c1O ZINC000775735171 873267506 /nfs/dbraw/zinc/26/75/06/873267506.db2.gz JZMQUIKJFNKGQU-LLVKDONJSA-N 1 2 381.236 3.532 20 10 GHCDLO COc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4ccc(OC)cc4)CC3)n2)cc1 ZINC000768539179 873370912 /nfs/dbraw/zinc/37/09/12/873370912.db2.gz VSTFRGIVDLSNMG-MRXNPFEDSA-N 1 2 394.475 3.637 20 10 GHCDLO CO[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000769551455 874154371 /nfs/dbraw/zinc/15/43/71/874154371.db2.gz MYNZJPZZNNAFLL-PMACEKPBSA-N 1 2 392.459 3.845 20 10 GHCDLO CO[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000769551455 874154375 /nfs/dbraw/zinc/15/43/75/874154375.db2.gz MYNZJPZZNNAFLL-PMACEKPBSA-N 1 2 392.459 3.845 20 10 GHCDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)Cc1cc(C)ccc1O ZINC000770379988 874621999 /nfs/dbraw/zinc/62/19/99/874621999.db2.gz MEQSGJJUFAEBRS-QGZVFWFLSA-N 1 2 378.266 3.809 20 10 GHCDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)Cc1cc(C)ccc1O ZINC000770379988 874622002 /nfs/dbraw/zinc/62/20/02/874622002.db2.gz MEQSGJJUFAEBRS-QGZVFWFLSA-N 1 2 378.266 3.809 20 10 GHCDLO CCOc1ccc(-n2c(C)cc(C(=O)C[N@H+](C)CCc3cnccn3)c2C)cc1 ZINC000771460510 875257514 /nfs/dbraw/zinc/25/75/14/875257514.db2.gz MFYSAQRJSSJZCX-UHFFFAOYSA-N 1 2 392.503 3.640 20 10 GHCDLO CCOc1ccc(-n2c(C)cc(C(=O)C[N@@H+](C)CCc3cnccn3)c2C)cc1 ZINC000771460510 875257521 /nfs/dbraw/zinc/25/75/21/875257521.db2.gz MFYSAQRJSSJZCX-UHFFFAOYSA-N 1 2 392.503 3.640 20 10 GHCDLO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000850500442 876975481 /nfs/dbraw/zinc/97/54/81/876975481.db2.gz DGOFEQOVDMOLNH-WNCDQNTKSA-N 1 2 390.293 3.511 20 10 GHCDLO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cc(Br)cc(F)c1O ZINC000786936609 877066051 /nfs/dbraw/zinc/06/60/51/877066051.db2.gz GMBTXTDAOWSUJM-NSHDSACASA-N 1 2 391.244 3.725 20 10 GHCDLO O=C(C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852433947 878319703 /nfs/dbraw/zinc/31/97/03/878319703.db2.gz CMIPWXBNXMVQMK-LJQANCHMSA-N 1 2 393.447 3.567 20 10 GHCDLO O=C(C[N@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852433947 878319721 /nfs/dbraw/zinc/31/97/21/878319721.db2.gz CMIPWXBNXMVQMK-LJQANCHMSA-N 1 2 393.447 3.567 20 10 GHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000111232732 878957488 /nfs/dbraw/zinc/95/74/88/878957488.db2.gz MAPUSLKXOUTXST-MRXNPFEDSA-N 1 2 396.409 3.788 20 10 GHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000111232732 878957502 /nfs/dbraw/zinc/95/75/02/878957502.db2.gz MAPUSLKXOUTXST-MRXNPFEDSA-N 1 2 396.409 3.788 20 10 GHCDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)c1O ZINC000789774664 879288763 /nfs/dbraw/zinc/28/87/63/879288763.db2.gz PEHJIEWGPCVXBC-UHFFFAOYSA-N 1 2 396.512 3.964 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cc(Br)cc(F)c1O ZINC000186136558 883615396 /nfs/dbraw/zinc/61/53/96/883615396.db2.gz CGCIUTLVUOVNNM-KNHMANMVSA-N 1 2 390.318 3.999 20 10 GHCDLO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc(Cl)c1O ZINC000806133662 884352789 /nfs/dbraw/zinc/35/27/89/884352789.db2.gz PLBGIRWYBGBKFE-SJCJKPOMSA-N 1 2 382.913 3.756 20 10 GHCDLO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc(Cl)c1O ZINC000806133663 884353706 /nfs/dbraw/zinc/35/37/06/884353706.db2.gz PLBGIRWYBGBKFE-SJKOYZFVSA-N 1 2 382.913 3.756 20 10 GHCDLO COc1cc(C[NH2+]Cc2cccc(Cl)c2O)cc(OC)c1OCC(F)F ZINC000898218947 884635637 /nfs/dbraw/zinc/63/56/37/884635637.db2.gz TXJODSSUZLPYKX-UHFFFAOYSA-N 1 2 387.810 3.997 20 10 GHCDLO CN1CCCc2cc(C[NH2+]Cc3nc4ccccn4c3Br)ccc21 ZINC000809610776 887582639 /nfs/dbraw/zinc/58/26/39/887582639.db2.gz DIFOLEXHRZYRQI-UHFFFAOYSA-N 1 2 385.309 3.769 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1F ZINC000874448566 892133508 /nfs/dbraw/zinc/13/35/08/892133508.db2.gz UZEDBGDVKTUABG-INIZCTEOSA-N 1 2 386.393 3.678 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)c1ccnn1C ZINC000877763170 893801216 /nfs/dbraw/zinc/80/12/16/893801216.db2.gz PNUCZWBDQQRXNK-MRVPVSSYSA-N 1 2 389.091 3.502 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000748049537 894566160 /nfs/dbraw/zinc/56/61/60/894566160.db2.gz GZIDKVPRBRAPBM-SFHVURJKSA-N 1 2 390.842 3.625 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000748049537 894566174 /nfs/dbraw/zinc/56/61/74/894566174.db2.gz GZIDKVPRBRAPBM-SFHVURJKSA-N 1 2 390.842 3.625 20 10 GHCDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)s1 ZINC000816583312 894929826 /nfs/dbraw/zinc/92/98/26/894929826.db2.gz HZQFEBCYWFDTOW-UHFFFAOYSA-N 1 2 392.887 3.820 20 10 GHCDLO COC1([C@H](C)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCOCC1 ZINC000817587793 895757851 /nfs/dbraw/zinc/75/78/51/895757851.db2.gz IDGOBDSRSACGBV-QWRGUYRKSA-N 1 2 376.266 3.529 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc2c(c1)CC(=O)N2C ZINC000882970635 897159631 /nfs/dbraw/zinc/15/96/31/897159631.db2.gz JOPVIJSOFYZINV-JTQLQIEISA-N 1 2 393.256 3.664 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000133692486 898851381 /nfs/dbraw/zinc/85/13/81/898851381.db2.gz YKMLNDKQQLQIMJ-CQSZACIVSA-N 1 2 385.302 3.548 20 10 GHCDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000043862441 898994282 /nfs/dbraw/zinc/99/42/82/898994282.db2.gz JYSDSUPFRFJUOT-ROUUACIJSA-N 1 2 396.535 3.684 20 10 GHCDLO Oc1cc(F)c(Br)cc1CN1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001144308263 901700500 /nfs/dbraw/zinc/70/05/00/901700500.db2.gz UQIFNDVZSRSANS-GOSISDBHSA-N 1 2 391.284 3.709 20 10 GHCDLO Oc1cc(F)c(Br)cc1CN1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001144308263 901700515 /nfs/dbraw/zinc/70/05/15/901700515.db2.gz UQIFNDVZSRSANS-GOSISDBHSA-N 1 2 391.284 3.709 20 10 GHCDLO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000845998726 902578649 /nfs/dbraw/zinc/57/86/49/902578649.db2.gz NUWPLUSVMMWVGV-UHFFFAOYSA-N 1 2 398.931 3.894 20 10 GHCDLO COc1ccc(N(C)CCN(C)C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000846658416 903120425 /nfs/dbraw/zinc/12/04/25/903120425.db2.gz ISJHBRSUARGWNA-OAQYLSRUSA-N 1 2 392.503 3.535 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cc1F ZINC001144978094 903327926 /nfs/dbraw/zinc/32/79/26/903327926.db2.gz OQKWHVAHRMHDJW-QFIPXVFZSA-N 1 2 399.510 3.571 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)cc1F ZINC001144978094 903327933 /nfs/dbraw/zinc/32/79/33/903327933.db2.gz OQKWHVAHRMHDJW-QFIPXVFZSA-N 1 2 399.510 3.571 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC001177081836 908374706 /nfs/dbraw/zinc/37/47/06/908374706.db2.gz RZLIGZJGDDTDDT-HNNXBMFYSA-N 1 2 383.261 3.814 20 10 GHCDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000266697019 909264029 /nfs/dbraw/zinc/26/40/29/909264029.db2.gz BSNHQXHOTWARDN-AEFFLSMTSA-N 1 2 389.496 3.690 20 10 GHCDLO CC(C)CO[C@H](C)c1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000266697019 909264043 /nfs/dbraw/zinc/26/40/43/909264043.db2.gz BSNHQXHOTWARDN-AEFFLSMTSA-N 1 2 389.496 3.690 20 10 GHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)N1CCCc2ccccc21 ZINC000096970795 915312139 /nfs/dbraw/zinc/31/21/39/915312139.db2.gz OGPNARVYDAHPHQ-UHFFFAOYSA-N 1 2 376.456 3.967 20 10 GHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)N1CCCc2ccccc21 ZINC000096970795 915312159 /nfs/dbraw/zinc/31/21/59/915312159.db2.gz OGPNARVYDAHPHQ-UHFFFAOYSA-N 1 2 376.456 3.967 20 10 GHCDLO Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(Br)c2O)c1 ZINC000775150788 915580662 /nfs/dbraw/zinc/58/06/62/915580662.db2.gz BAEPEJORLSIJNW-ZDUSSCGKSA-N 1 2 377.282 3.970 20 10 GHCDLO COc1cccc(O)c1C[N@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000800533100 920247130 /nfs/dbraw/zinc/24/71/30/920247130.db2.gz GXSARMILISEHOT-UHFFFAOYSA-N 1 2 397.302 3.846 20 10 GHCDLO COc1cccc(O)c1C[N@@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000800533100 920247156 /nfs/dbraw/zinc/24/71/56/920247156.db2.gz GXSARMILISEHOT-UHFFFAOYSA-N 1 2 397.302 3.846 20 10 GHCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000802724848 922361172 /nfs/dbraw/zinc/36/11/72/922361172.db2.gz WQJPHERUAWFWCC-HSZRJFAPSA-N 1 2 398.551 3.567 20 10 GHCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000802724848 922361185 /nfs/dbraw/zinc/36/11/85/922361185.db2.gz WQJPHERUAWFWCC-HSZRJFAPSA-N 1 2 398.551 3.567 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1cc(Br)c(F)cc1O ZINC000903341687 922942667 /nfs/dbraw/zinc/94/26/67/922942667.db2.gz QPYJAUWLUQFEOJ-SSDOTTSWSA-N 1 2 396.182 3.897 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)CC1=CCCOC1 ZINC000827188893 924977802 /nfs/dbraw/zinc/97/78/02/924977802.db2.gz DTGMUGBJQVEROC-UHFFFAOYSA-N 1 2 391.103 3.696 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)CC1=CCCOC1 ZINC000827188893 924977810 /nfs/dbraw/zinc/97/78/10/924977810.db2.gz DTGMUGBJQVEROC-UHFFFAOYSA-N 1 2 391.103 3.696 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC1SCCS1 ZINC000827612075 925834966 /nfs/dbraw/zinc/83/49/66/925834966.db2.gz BQJDGEXVTGPBEV-UHFFFAOYSA-N 1 2 399.173 3.813 20 10 GHCDLO COc1ccc(N2C(=O)/C(=C\c3ccc(-n4cc[nH+]c4)cc3)SC2=S)cn1 ZINC000726985883 926972823 /nfs/dbraw/zinc/97/28/23/926972823.db2.gz GMUNTQJSXSAVQT-MHWRWJLKSA-N 1 2 394.481 3.682 20 10 GHCDLO CN(C)c1ccc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1F ZINC000749925851 927353210 /nfs/dbraw/zinc/35/32/10/927353210.db2.gz LZXXKRSOJZZWDL-UHFFFAOYSA-N 1 2 398.507 3.568 20 10 GHCDLO OC[C@]1(C[NH2+]Cc2cccc(Br)c2O)C[C@@H]1c1ccc(F)cc1 ZINC000758531454 930073504 /nfs/dbraw/zinc/07/35/04/930073504.db2.gz ZRLIWVPTZOPWCK-CRAIPNDOSA-N 1 2 380.257 3.550 20 10 GHCDLO OC[C@@]1(C[NH2+]Cc2cccc(Br)c2O)C[C@@H]1c1ccc(F)cc1 ZINC000758531460 930073709 /nfs/dbraw/zinc/07/37/09/930073709.db2.gz ZRLIWVPTZOPWCK-QAPCUYQASA-N 1 2 380.257 3.550 20 10 GHCDLO C[C@@H]([NH2+]CCOC1CCOCC1)c1cc(Br)cc(Cl)c1O ZINC000927079694 932403264 /nfs/dbraw/zinc/40/32/64/932403264.db2.gz OBLWYWZSQAREAE-SNVBAGLBSA-N 1 2 378.694 3.654 20 10 GHCDLO C[C@@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001226646649 1032061165 /nfs/dbraw/zinc/06/11/65/1032061165.db2.gz DKIZPNJGAXIZCF-UTKZUKDTSA-N 1 2 377.492 3.751 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@]1(C)O ZINC001203565313 1027436705 /nfs/dbraw/zinc/43/67/05/1027436705.db2.gz ZXZXHGKYURLWEB-XPTSAGLGSA-N 1 2 393.119 3.510 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)cc2O)[C@H](c2cccs2)C1 ZINC001204281532 1032722933 /nfs/dbraw/zinc/72/29/33/1032722933.db2.gz UTXXLOFUNYHUJR-INIZCTEOSA-N 1 2 390.505 3.953 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)cc2O)[C@H](c2cccs2)C1 ZINC001204281532 1032722951 /nfs/dbraw/zinc/72/29/51/1032722951.db2.gz UTXXLOFUNYHUJR-INIZCTEOSA-N 1 2 390.505 3.953 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cc(Br)cc(F)c1O ZINC000834826578 1021521459 /nfs/dbraw/zinc/52/14/59/1021521459.db2.gz FBZPZCGHFVRGIC-YGRLFVJLSA-N 1 2 386.236 3.687 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1cc(Br)cc(F)c1O ZINC000834915442 1021677941 /nfs/dbraw/zinc/67/79/41/1021677941.db2.gz YRFKBQHCSUYORW-NVBFEUDRSA-N 1 2 398.276 3.598 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1ccc(Cl)cc1O)C[C@H]2COc1cccnc1 ZINC001140467377 1021762179 /nfs/dbraw/zinc/76/21/79/1021762179.db2.gz OWBSYYJOSCELIU-INIZCTEOSA-N 1 2 398.894 3.835 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1ccc(Cl)cc1O)C[C@H]2COc1cccnc1 ZINC001140467377 1021762196 /nfs/dbraw/zinc/76/21/96/1021762196.db2.gz OWBSYYJOSCELIU-INIZCTEOSA-N 1 2 398.894 3.835 20 10 GHCDLO CC[C@@H]1[N@H+](Cc2c(O)cc(F)cc2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001140581252 1022001415 /nfs/dbraw/zinc/00/14/15/1022001415.db2.gz SPMZKFRRUBZTRX-FPOVZHCZSA-N 1 2 378.463 3.816 20 10 GHCDLO CC[C@@H]1[N@@H+](Cc2c(O)cc(F)cc2F)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001140581252 1022001423 /nfs/dbraw/zinc/00/14/23/1022001423.db2.gz SPMZKFRRUBZTRX-FPOVZHCZSA-N 1 2 378.463 3.816 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001140583777 1022005954 /nfs/dbraw/zinc/00/59/54/1022005954.db2.gz SAOKSCRVBWGOKX-UHFFFAOYSA-N 1 2 387.352 3.797 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001140583777 1022005962 /nfs/dbraw/zinc/00/59/62/1022005962.db2.gz SAOKSCRVBWGOKX-UHFFFAOYSA-N 1 2 387.352 3.797 20 10 GHCDLO C[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Br)cc(F)c1O ZINC000756455311 1023660523 /nfs/dbraw/zinc/66/05/23/1023660523.db2.gz QUMRWQYKAMFGSW-JTQLQIEISA-N 1 2 399.235 3.514 20 10 GHCDLO C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O)C(=O)NC(C)(C)C ZINC000756490549 1023683265 /nfs/dbraw/zinc/68/32/65/1023683265.db2.gz VXABULMHCPRTDC-IUCAKERBSA-N 1 2 377.710 3.762 20 10 GHCDLO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000756575831 1023717986 /nfs/dbraw/zinc/71/79/86/1023717986.db2.gz QQFSLEAEGKVCNJ-RWEMILLDSA-N 1 2 395.135 3.975 20 10 GHCDLO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2)c1 ZINC000756650715 1023754837 /nfs/dbraw/zinc/75/48/37/1023754837.db2.gz PIVIDQZSBZZKAC-KBPBESRZSA-N 1 2 392.446 3.865 20 10 GHCDLO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756739888 1023794594 /nfs/dbraw/zinc/79/45/94/1023794594.db2.gz ZYMSSBSATOIFNO-NSHDSACASA-N 1 2 399.260 3.666 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(F)c1O ZINC000756764605 1023805581 /nfs/dbraw/zinc/80/55/81/1023805581.db2.gz JPDFVCJIDNNEQF-DGCLKSJQSA-N 1 2 388.277 3.673 20 10 GHCDLO COc1cc(Cl)cc(C[NH+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC001204915804 1033164618 /nfs/dbraw/zinc/16/46/18/1033164618.db2.gz MBOPHLMULXJFED-CHWSQXEVSA-N 1 2 384.904 3.884 20 10 GHCDLO CCOC(=O)CC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141367494 1024740236 /nfs/dbraw/zinc/74/02/36/1024740236.db2.gz CBVRMLJMZFWHRZ-UHFFFAOYSA-N 1 2 390.705 3.973 20 10 GHCDLO Cc1noc(C2C[NH+](Cc3ccc(N4CCCCC4)c(Br)c3)C2)n1 ZINC000839131573 1025624570 /nfs/dbraw/zinc/62/45/70/1025624570.db2.gz WCWCEUDMALDILM-UHFFFAOYSA-N 1 2 391.313 3.730 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@@H+]2Cc1c(O)cccc1Br ZINC001140100034 1026878374 /nfs/dbraw/zinc/87/83/74/1026878374.db2.gz BQUXNQVZJYSECI-GJZGRUSLSA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@H+]2Cc1c(O)cccc1Br ZINC001140100034 1026878376 /nfs/dbraw/zinc/87/83/76/1026878376.db2.gz BQUXNQVZJYSECI-GJZGRUSLSA-N 1 2 397.313 3.738 20 10 GHCDLO Oc1cccc(Br)c1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC001140101124 1026879020 /nfs/dbraw/zinc/87/90/20/1026879020.db2.gz JZWTUXPJUMWDRQ-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N4CCC(C)CC4)cc3)[nH+]cn2)C1 ZINC000840258696 1027388722 /nfs/dbraw/zinc/38/87/22/1027388722.db2.gz GUMXWFZROUGEBB-AZUAARDMSA-N 1 2 395.551 3.532 20 10 GHCDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N4CCC(C)CC4)cc3)nc[nH+]2)C1 ZINC000840258696 1027388738 /nfs/dbraw/zinc/38/87/38/1027388738.db2.gz GUMXWFZROUGEBB-AZUAARDMSA-N 1 2 395.551 3.532 20 10 GHCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@]1(C)O ZINC001203565313 1027436700 /nfs/dbraw/zinc/43/67/00/1027436700.db2.gz ZXZXHGKYURLWEB-XPTSAGLGSA-N 1 2 393.119 3.510 20 10 GHCDLO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000840808184 1027847089 /nfs/dbraw/zinc/84/70/89/1027847089.db2.gz HOHNRIWCVMDCRB-AAEUAGOBSA-N 1 2 398.272 3.729 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(Br)c(F)cc1O ZINC000840879259 1027916333 /nfs/dbraw/zinc/91/63/33/1027916333.db2.gz CVCLIEOVBOCXKI-JQWIXIFHSA-N 1 2 386.236 3.860 20 10 GHCDLO Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2cc(F)c(F)cc2O)CCO3)c1 ZINC001142517344 1029021608 /nfs/dbraw/zinc/02/16/08/1029021608.db2.gz JXIMBADRTPLIJK-QFIPXVFZSA-N 1 2 388.458 3.850 20 10 GHCDLO Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cc(F)c(F)cc2O)CCO3)c1 ZINC001142517344 1029021622 /nfs/dbraw/zinc/02/16/22/1029021622.db2.gz JXIMBADRTPLIJK-QFIPXVFZSA-N 1 2 388.458 3.850 20 10 GHCDLO CCCOc1ccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)cc1 ZINC001217056947 1030130494 /nfs/dbraw/zinc/13/04/94/1030130494.db2.gz YCHTXIVXOFDXSH-UHFFFAOYSA-N 1 2 395.459 3.730 20 10 GHCDLO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154226101 1031992504 /nfs/dbraw/zinc/99/25/04/1031992504.db2.gz DFITUIMAHWDKHL-GOSISDBHSA-N 1 2 385.533 3.507 20 10 GHCDLO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154226101 1031992511 /nfs/dbraw/zinc/99/25/11/1031992511.db2.gz DFITUIMAHWDKHL-GOSISDBHSA-N 1 2 385.533 3.507 20 10 GHCDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)cc(F)c1O ZINC001206688975 1033945698 /nfs/dbraw/zinc/94/56/98/1033945698.db2.gz IEVDOOVZIFXISI-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)cc(F)c1O ZINC001206688975 1033945700 /nfs/dbraw/zinc/94/57/00/1033945700.db2.gz IEVDOOVZIFXISI-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO COC(=O)c1c(C[N@H+](C)Cc2c(C)cc(C)nc2OC)c2cc(F)ccc2n1C ZINC001206800071 1033988898 /nfs/dbraw/zinc/98/88/98/1033988898.db2.gz HUIVDBKWONFCPR-UHFFFAOYSA-N 1 2 399.466 3.756 20 10 GHCDLO COC(=O)c1c(C[N@@H+](C)Cc2c(C)cc(C)nc2OC)c2cc(F)ccc2n1C ZINC001206800071 1033988903 /nfs/dbraw/zinc/98/89/03/1033988903.db2.gz HUIVDBKWONFCPR-UHFFFAOYSA-N 1 2 399.466 3.756 20 10 GHCDLO CCc1nccc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)n1 ZINC001207090656 1034088004 /nfs/dbraw/zinc/08/80/04/1034088004.db2.gz LTNDQIBJXFHPPX-UHFFFAOYSA-N 1 2 388.515 3.940 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)cc(Cl)c2O)N1CC1CCCC1 ZINC001277509353 1034538030 /nfs/dbraw/zinc/53/80/30/1034538030.db2.gz FCSQENBQLYNDDV-QZTJIDSGSA-N 1 2 380.891 3.940 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001231553599 1034705995 /nfs/dbraw/zinc/70/59/95/1034705995.db2.gz ZGVGMGBXXGVLMU-QGZVFWFLSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1ccc(Br)c(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001231553599 1034706005 /nfs/dbraw/zinc/70/60/05/1034706005.db2.gz ZGVGMGBXXGVLMU-QGZVFWFLSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+]2CCc3ccc(C(C)=O)cc3C2)c1O ZINC001231556372 1034709938 /nfs/dbraw/zinc/70/99/38/1034709938.db2.gz GYKSEGJOINCGPP-UHFFFAOYSA-N 1 2 390.277 3.924 20 10 GHCDLO COc1ccc(Br)c(C[N@H+]2CCc3ccc(C(C)=O)cc3C2)c1O ZINC001231556372 1034709955 /nfs/dbraw/zinc/70/99/55/1034709955.db2.gz GYKSEGJOINCGPP-UHFFFAOYSA-N 1 2 390.277 3.924 20 10 GHCDLO CCOC(=O)/C=C/c1ccc[nH+]c1NCc1cc(Br)ccc1O ZINC001160012840 1034828206 /nfs/dbraw/zinc/82/82/06/1034828206.db2.gz VMEDSBIQHQMMHD-VMPITWQZSA-N 1 2 377.238 3.738 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl ZINC001231871161 1034957374 /nfs/dbraw/zinc/95/73/74/1034957374.db2.gz ZYFLDDSAYULWMB-UHFFFAOYSA-N 1 2 379.287 3.965 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001231909991 1034984346 /nfs/dbraw/zinc/98/43/46/1034984346.db2.gz ISXSIOUJMCQGFK-NQIIRXRSSA-N 1 2 388.895 3.891 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001231909991 1034984352 /nfs/dbraw/zinc/98/43/52/1034984352.db2.gz ISXSIOUJMCQGFK-NQIIRXRSSA-N 1 2 388.895 3.891 20 10 GHCDLO Cc1ccnc(N2CC[NH+](Cc3ccc(N(C)C)cc3C(F)(F)F)CC2)c1 ZINC001461972468 1069922996 /nfs/dbraw/zinc/92/29/96/1069922996.db2.gz WIDWHGUWHCCQDI-UHFFFAOYSA-N 1 2 378.442 3.797 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CC[C@H]2c2ccccc2)cc1I ZINC001248472210 1035899699 /nfs/dbraw/zinc/89/96/99/1035899699.db2.gz SBIFLKRDRATWEB-HNNXBMFYSA-N 1 2 395.240 3.952 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CC[C@H]2c2ccccc2)cc1I ZINC001248472210 1035899722 /nfs/dbraw/zinc/89/97/22/1035899722.db2.gz SBIFLKRDRATWEB-HNNXBMFYSA-N 1 2 395.240 3.952 20 10 GHCDLO CN(CC[N@H+](C)Cc1c(O)cc(Br)cc1F)C(=O)OC(C)(C)C ZINC001233026677 1038778155 /nfs/dbraw/zinc/77/81/55/1038778155.db2.gz CHSOZEWECZNSMT-UHFFFAOYSA-N 1 2 391.281 3.593 20 10 GHCDLO CN(CC[N@@H+](C)Cc1c(O)cc(Br)cc1F)C(=O)OC(C)(C)C ZINC001233026677 1038778167 /nfs/dbraw/zinc/77/81/67/1038778167.db2.gz CHSOZEWECZNSMT-UHFFFAOYSA-N 1 2 391.281 3.593 20 10 GHCDLO CC(C)OCC[NH+](CCOC(C)C)Cc1c(O)cc(Br)cc1F ZINC001233029724 1038780381 /nfs/dbraw/zinc/78/03/81/1038780381.db2.gz HEWUANRDKKGTPI-UHFFFAOYSA-N 1 2 392.309 3.946 20 10 GHCDLO Oc1c(C[N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc(F)c1F ZINC001233079924 1038848126 /nfs/dbraw/zinc/84/81/26/1038848126.db2.gz NSVWYBSBFGZRDP-NSHDSACASA-N 1 2 389.324 3.523 20 10 GHCDLO Oc1c(C[N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc(F)c1F ZINC001233079924 1038848146 /nfs/dbraw/zinc/84/81/46/1038848146.db2.gz NSVWYBSBFGZRDP-NSHDSACASA-N 1 2 389.324 3.523 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)cc1Br ZINC001233141210 1038920365 /nfs/dbraw/zinc/92/03/65/1038920365.db2.gz FERLEMXNOPSIOL-LBPRGKRZSA-N 1 2 382.298 3.887 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)cc1Br ZINC001233141210 1038920367 /nfs/dbraw/zinc/92/03/67/1038920367.db2.gz FERLEMXNOPSIOL-LBPRGKRZSA-N 1 2 382.298 3.887 20 10 GHCDLO CCOC(=O)c1c(C[NH+]2CC3(C2)CC(F)(F)CS3)c2ccccc2n1C ZINC001233272867 1039040558 /nfs/dbraw/zinc/04/05/58/1039040558.db2.gz FMXKHFKHZLBNDI-UHFFFAOYSA-N 1 2 380.460 3.682 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233287782 1039064468 /nfs/dbraw/zinc/06/44/68/1039064468.db2.gz HKBWDSXCXYWZGV-GJZGRUSLSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233287782 1039064505 /nfs/dbraw/zinc/06/45/05/1039064505.db2.gz HKBWDSXCXYWZGV-GJZGRUSLSA-N 1 2 382.888 3.638 20 10 GHCDLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)CCN1C(=O)OC(C)(C)C ZINC001233289584 1039072065 /nfs/dbraw/zinc/07/20/65/1039072065.db2.gz AQPSOOLKFDHTLJ-HNNXBMFYSA-N 1 2 384.904 3.886 20 10 GHCDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CCN1C(=O)OC(C)(C)C ZINC001233289584 1039072077 /nfs/dbraw/zinc/07/20/77/1039072077.db2.gz AQPSOOLKFDHTLJ-HNNXBMFYSA-N 1 2 384.904 3.886 20 10 GHCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001233333935 1039134385 /nfs/dbraw/zinc/13/43/85/1039134385.db2.gz NDKQJSYCLSPRRZ-YCRPNKLZSA-N 1 2 390.430 3.516 20 10 GHCDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829526 1039804623 /nfs/dbraw/zinc/80/46/23/1039804623.db2.gz FWXXDTBMXJEFDW-INIZCTEOSA-N 1 2 379.234 3.531 20 10 GHCDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829526 1039804636 /nfs/dbraw/zinc/80/46/36/1039804636.db2.gz FWXXDTBMXJEFDW-INIZCTEOSA-N 1 2 379.234 3.531 20 10 GHCDLO COc1ccc2ccc(O)c(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)c2c1 ZINC001234569098 1040137216 /nfs/dbraw/zinc/13/72/16/1040137216.db2.gz JKVLOUOUMOQEMQ-HXUWFJFHSA-N 1 2 376.447 3.859 20 10 GHCDLO CCOC(=O)C1(CC)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235067715 1040559135 /nfs/dbraw/zinc/55/91/35/1040559135.db2.gz YVQMHTYWRZGZQK-UHFFFAOYSA-N 1 2 388.277 3.849 20 10 GHCDLO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001462480999 1070288711 /nfs/dbraw/zinc/28/87/11/1070288711.db2.gz LUGXSUNIEJDGRA-LLVKDONJSA-N 1 2 389.721 3.545 20 10 GHCDLO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001462480999 1070288728 /nfs/dbraw/zinc/28/87/28/1070288728.db2.gz LUGXSUNIEJDGRA-LLVKDONJSA-N 1 2 389.721 3.545 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001235297466 1040769101 /nfs/dbraw/zinc/76/91/01/1040769101.db2.gz MLWOGLXKGYXVMA-UHFFFAOYSA-N 1 2 395.272 3.980 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(F)cc(Br)c2O)C[C@H]1c1ccccc1 ZINC001235302653 1040775121 /nfs/dbraw/zinc/77/51/21/1040775121.db2.gz SFHJPMJBHFGRCX-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO CCc1ccc(C[N@H+]2CCN[C@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235802342 1041310183 /nfs/dbraw/zinc/31/01/83/1041310183.db2.gz ZKTZMWAMVYXAIJ-SFHVURJKSA-N 1 2 375.310 3.864 20 10 GHCDLO COc1cc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c(O)cc1Br ZINC001236752689 1041873393 /nfs/dbraw/zinc/87/33/93/1041873393.db2.gz FFNIPXZWXOLDBO-KRWDZBQOSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c(O)cc1Br ZINC001236752689 1041873395 /nfs/dbraw/zinc/87/33/95/1041873395.db2.gz FFNIPXZWXOLDBO-KRWDZBQOSA-N 1 2 391.309 3.652 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001236794674 1041899718 /nfs/dbraw/zinc/89/97/18/1041899718.db2.gz UGDAGUQUYHGRQL-CHWSQXEVSA-N 1 2 376.177 3.926 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001236794674 1041899724 /nfs/dbraw/zinc/89/97/24/1041899724.db2.gz UGDAGUQUYHGRQL-CHWSQXEVSA-N 1 2 376.177 3.926 20 10 GHCDLO COc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1Cl ZINC001236808690 1041909391 /nfs/dbraw/zinc/90/93/91/1041909391.db2.gz IJCRSVRDHAXERQ-AWEZNQCLSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1Cl ZINC001236808690 1041909394 /nfs/dbraw/zinc/90/93/94/1041909394.db2.gz IJCRSVRDHAXERQ-AWEZNQCLSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)c1OC ZINC001236919180 1041958603 /nfs/dbraw/zinc/95/86/03/1041958603.db2.gz LUZXEIDAMIEYRO-UHFFFAOYSA-N 1 2 390.911 3.826 20 10 GHCDLO COc1cccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)c1OC ZINC001236919180 1041958605 /nfs/dbraw/zinc/95/86/05/1041958605.db2.gz LUZXEIDAMIEYRO-UHFFFAOYSA-N 1 2 390.911 3.826 20 10 GHCDLO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236931296 1041963680 /nfs/dbraw/zinc/96/36/80/1041963680.db2.gz SCTUBTXDYXJRGT-NRFANRHFSA-N 1 2 399.922 3.780 20 10 GHCDLO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236931296 1041963681 /nfs/dbraw/zinc/96/36/81/1041963681.db2.gz SCTUBTXDYXJRGT-NRFANRHFSA-N 1 2 399.922 3.780 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001237081110 1042026828 /nfs/dbraw/zinc/02/68/28/1042026828.db2.gz RMQOLIUXCIDYLT-UHFFFAOYSA-N 1 2 395.334 3.897 20 10 GHCDLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)c1 ZINC001237131645 1042055896 /nfs/dbraw/zinc/05/58/96/1042055896.db2.gz WBYWMYPOFVPXHQ-CQSZACIVSA-N 1 2 397.899 3.968 20 10 GHCDLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)c1 ZINC001237131645 1042055904 /nfs/dbraw/zinc/05/59/04/1042055904.db2.gz WBYWMYPOFVPXHQ-CQSZACIVSA-N 1 2 397.899 3.968 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)c1O ZINC001237680043 1042321554 /nfs/dbraw/zinc/32/15/54/1042321554.db2.gz OCVHKOANVUOGRY-MRXNPFEDSA-N 1 2 398.894 3.661 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)c1O ZINC001237680043 1042321561 /nfs/dbraw/zinc/32/15/61/1042321561.db2.gz OCVHKOANVUOGRY-MRXNPFEDSA-N 1 2 398.894 3.661 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2CCc3onc(C(=O)Nc4cccnc4)c3C2)c1O ZINC001237686268 1042326483 /nfs/dbraw/zinc/32/64/83/1042326483.db2.gz HJPXVXINMNIEJL-UHFFFAOYSA-N 1 2 398.850 3.548 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2CCc3onc(C(=O)Nc4cccnc4)c3C2)c1O ZINC001237686268 1042326488 /nfs/dbraw/zinc/32/64/88/1042326488.db2.gz HJPXVXINMNIEJL-UHFFFAOYSA-N 1 2 398.850 3.548 20 10 GHCDLO C[C@@]1(O)CCCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783496 1042367769 /nfs/dbraw/zinc/36/77/69/1042367769.db2.gz JIPBWIUUZATHRD-CQSZACIVSA-N 1 2 382.220 3.910 20 10 GHCDLO C[C@@]1(O)CCCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783496 1042367776 /nfs/dbraw/zinc/36/77/76/1042367776.db2.gz JIPBWIUUZATHRD-CQSZACIVSA-N 1 2 382.220 3.910 20 10 GHCDLO COc1cccc2c1CC[N@H+](Cc1cccc(I)c1O)C2 ZINC001237784696 1042368266 /nfs/dbraw/zinc/36/82/66/1042368266.db2.gz XBTDWEYHGLEQJS-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO COc1cccc2c1CC[N@@H+](Cc1cccc(I)c1O)C2 ZINC001237784696 1042368269 /nfs/dbraw/zinc/36/82/69/1042368269.db2.gz XBTDWEYHGLEQJS-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(Br)cc(C(F)(F)F)c3O)C[C@H]12 ZINC001237792186 1042372848 /nfs/dbraw/zinc/37/28/48/1042372848.db2.gz QBZMWSQXKDQQCC-XTWCZFFVSA-N 1 2 380.204 3.640 20 10 GHCDLO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc(Br)cc(C(F)(F)F)c3O)C[C@H]12 ZINC001237792186 1042372851 /nfs/dbraw/zinc/37/28/51/1042372851.db2.gz QBZMWSQXKDQQCC-XTWCZFFVSA-N 1 2 380.204 3.640 20 10 GHCDLO C[N@@H+](Cc1cc(F)cc(Cl)c1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237800825 1042377085 /nfs/dbraw/zinc/37/70/85/1042377085.db2.gz BXAPPGREUYMVBH-SFHVURJKSA-N 1 2 378.875 3.518 20 10 GHCDLO C[N@H+](Cc1cc(F)cc(Cl)c1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237800825 1042377091 /nfs/dbraw/zinc/37/70/91/1042377091.db2.gz BXAPPGREUYMVBH-SFHVURJKSA-N 1 2 378.875 3.518 20 10 GHCDLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237800955 1042377140 /nfs/dbraw/zinc/37/71/40/1042377140.db2.gz PXWQVMZGVNSUOC-SJCJKPOMSA-N 1 2 392.833 3.670 20 10 GHCDLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237800955 1042377147 /nfs/dbraw/zinc/37/71/47/1042377147.db2.gz PXWQVMZGVNSUOC-SJCJKPOMSA-N 1 2 392.833 3.670 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001237800954 1042377589 /nfs/dbraw/zinc/37/75/89/1042377589.db2.gz PXFJMULOIHKFMP-QXAKKESOSA-N 1 2 392.858 3.781 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001237800954 1042377596 /nfs/dbraw/zinc/37/75/96/1042377596.db2.gz PXFJMULOIHKFMP-QXAKKESOSA-N 1 2 392.858 3.781 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(OC(C)C)c3F)CC2)c(OC)c1 ZINC001238431520 1042594150 /nfs/dbraw/zinc/59/41/50/1042594150.db2.gz AWKDIBUGMAUCCY-UHFFFAOYSA-N 1 2 388.483 3.952 20 10 GHCDLO CC[C@@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)[N@@H+]1CCO[C@@H](CC)C1 ZINC001302263873 1046891301 /nfs/dbraw/zinc/89/13/01/1046891301.db2.gz YPMUDXGXYIBYIG-GOTSBHOMSA-N 1 2 397.563 3.908 20 10 GHCDLO CC[C@@H](C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)[N@H+]1CCO[C@@H](CC)C1 ZINC001302263873 1046891318 /nfs/dbraw/zinc/89/13/18/1046891318.db2.gz YPMUDXGXYIBYIG-GOTSBHOMSA-N 1 2 397.563 3.908 20 10 GHCDLO Cc1ncsc1CN1C[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3Cl)[C@@H]2C1 ZINC001279333423 1047771624 /nfs/dbraw/zinc/77/16/24/1047771624.db2.gz AXHNXNXLKPGNPO-QFBILLFUSA-N 1 2 390.984 3.877 20 10 GHCDLO Cc1ncsc1CN1C[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3Cl)[C@@H]2C1 ZINC001279333423 1047771630 /nfs/dbraw/zinc/77/16/30/1047771630.db2.gz AXHNXNXLKPGNPO-QFBILLFUSA-N 1 2 390.984 3.877 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3c4ccccc4C[N@H+]3C)ccc21 ZINC001287948155 1048954581 /nfs/dbraw/zinc/95/45/81/1048954581.db2.gz QVHJZBALYSQJDL-QHCPKHFHSA-N 1 2 391.515 3.821 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)ccc21 ZINC001287948155 1048954584 /nfs/dbraw/zinc/95/45/84/1048954584.db2.gz QVHJZBALYSQJDL-QHCPKHFHSA-N 1 2 391.515 3.821 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCN1CCCc2ccccc21 ZINC001308228797 1049920471 /nfs/dbraw/zinc/92/04/71/1049920471.db2.gz FRBROCWQGSKHQJ-UHFFFAOYSA-N 1 2 379.273 3.836 20 10 GHCDLO C[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)N1CCc2ccccc2C1 ZINC001308236381 1049922230 /nfs/dbraw/zinc/92/22/30/1049922230.db2.gz YGFTVHQXIBZEKX-CYBMUJFWSA-N 1 2 393.300 3.830 20 10 GHCDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001308270124 1049932681 /nfs/dbraw/zinc/93/26/81/1049932681.db2.gz WBEMPYXDLQPKOZ-CYBMUJFWSA-N 1 2 388.336 3.938 20 10 GHCDLO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001308757480 1050084259 /nfs/dbraw/zinc/08/42/59/1050084259.db2.gz CJQQAQDFOFSWIZ-LJQANCHMSA-N 1 2 388.458 3.774 20 10 GHCDLO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001308757480 1050084262 /nfs/dbraw/zinc/08/42/62/1050084262.db2.gz CJQQAQDFOFSWIZ-LJQANCHMSA-N 1 2 388.458 3.774 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001472691993 1073622159 /nfs/dbraw/zinc/62/21/59/1073622159.db2.gz GYDNDCZPXDXSIW-UHFFFAOYSA-N 1 2 376.439 3.941 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC[C@H]1CCCCO1 ZINC001474083445 1074258312 /nfs/dbraw/zinc/25/83/12/1074258312.db2.gz BPQAHORJTWTNLJ-GFCCVEGCSA-N 1 2 393.119 3.966 20 10 GHCDLO COc1cc(C[N@H+](C)Cc2cnn(-c3ccccc3)n2)c(O)c(C(C)(C)C)c1 ZINC001474361400 1074363304 /nfs/dbraw/zinc/36/33/04/1074363304.db2.gz QDKGMLJKBAGYDP-UHFFFAOYSA-N 1 2 380.492 3.911 20 10 GHCDLO COc1cc(C[N@@H+](C)Cc2cnn(-c3ccccc3)n2)c(O)c(C(C)(C)C)c1 ZINC001474361400 1074363307 /nfs/dbraw/zinc/36/33/07/1074363307.db2.gz QDKGMLJKBAGYDP-UHFFFAOYSA-N 1 2 380.492 3.911 20 10 GHCDLO O=C(N[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001474634400 1074492523 /nfs/dbraw/zinc/49/25/23/1074492523.db2.gz FTTPRCRIYFRSQQ-IAGOWNOFSA-N 1 2 396.384 3.568 20 10 GHCDLO O=C(N[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001474634400 1074492525 /nfs/dbraw/zinc/49/25/25/1074492525.db2.gz FTTPRCRIYFRSQQ-IAGOWNOFSA-N 1 2 396.384 3.568 20 10 GHCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC000052466943 834761040 /nfs/dbraw/zinc/76/10/40/834761040.db2.gz QTMQNGOLJVRFCW-OAHLLOKOSA-N 1 2 389.446 3.513 20 10 GHCDLO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC000052466943 834761047 /nfs/dbraw/zinc/76/10/47/834761047.db2.gz QTMQNGOLJVRFCW-OAHLLOKOSA-N 1 2 389.446 3.513 20 10 GHCDLO C[C@H]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)O1 ZINC000835086091 844214257 /nfs/dbraw/zinc/21/42/57/844214257.db2.gz CGXNBXFEKUCREB-KWQFWETISA-N 1 2 379.092 3.574 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000376737184 838672743 /nfs/dbraw/zinc/67/27/43/838672743.db2.gz AICFNLVIFZEVFR-UHFFFAOYSA-N 1 2 391.103 3.672 20 10 GHCDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(OC)c2O)sc1C ZINC000279622075 843172073 /nfs/dbraw/zinc/17/20/73/843172073.db2.gz GYHZANRHVHDKKT-ZDUSSCGKSA-N 1 2 396.896 3.943 20 10 GHCDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(OC)c2O)sc1C ZINC000279622075 843172076 /nfs/dbraw/zinc/17/20/76/843172076.db2.gz GYHZANRHVHDKKT-ZDUSSCGKSA-N 1 2 396.896 3.943 20 10 GHCDLO O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000255558337 848767264 /nfs/dbraw/zinc/76/72/64/848767264.db2.gz ILTMMKJQCSTKKE-XDJHFCHBSA-N 1 2 398.553 3.763 20 10 GHCDLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cc2c(cc1O)CCCC2 ZINC000186430415 855236756 /nfs/dbraw/zinc/23/67/56/855236756.db2.gz ZRPWRRFOXWPYKS-HNNXBMFYSA-N 1 2 378.476 3.819 20 10 GHCDLO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715793081 859708725 /nfs/dbraw/zinc/70/87/25/859708725.db2.gz VHYGEEAFDGAEHP-UWVGGRQHSA-N 1 2 391.281 3.685 20 10 GHCDLO CCCC[N@H+](Cc1noc(CNC(=O)OC(C)(C)C)n1)Cc1ccccc1O ZINC000282365883 860386291 /nfs/dbraw/zinc/38/62/91/860386291.db2.gz DPSQBOHYXBTKKC-UHFFFAOYSA-N 1 2 390.484 3.602 20 10 GHCDLO CCCC[N@@H+](Cc1noc(CNC(=O)OC(C)(C)C)n1)Cc1ccccc1O ZINC000282365883 860386300 /nfs/dbraw/zinc/38/63/00/860386300.db2.gz DPSQBOHYXBTKKC-UHFFFAOYSA-N 1 2 390.484 3.602 20 10 GHCDLO CCOc1ccc(O)c(C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000184742976 864896787 /nfs/dbraw/zinc/89/67/87/864896787.db2.gz JWQYSEBLFXOYNT-UHFFFAOYSA-N 1 2 377.488 3.788 20 10 GHCDLO CCOc1ccc(O)c(C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000184742976 864896802 /nfs/dbraw/zinc/89/68/02/864896802.db2.gz JWQYSEBLFXOYNT-UHFFFAOYSA-N 1 2 377.488 3.788 20 10 GHCDLO COc1ccccc1CN(C)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975183 866251626 /nfs/dbraw/zinc/25/16/26/866251626.db2.gz XRNADQBEKIXDKA-UHFFFAOYSA-N 1 2 394.471 3.655 20 10 GHCDLO COc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975183 866251635 /nfs/dbraw/zinc/25/16/35/866251635.db2.gz XRNADQBEKIXDKA-UHFFFAOYSA-N 1 2 394.471 3.655 20 10 GHCDLO CCOc1ccc(CNC2(c3noc(C[NH+](CC)CC)n3)CCCC2)c(O)c1 ZINC000742384774 867251117 /nfs/dbraw/zinc/25/11/17/867251117.db2.gz NCTFFLMJUFTDOP-UHFFFAOYSA-N 1 2 388.512 3.575 20 10 GHCDLO COc1cc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)cc(OC)c1OC ZINC000183703333 867323180 /nfs/dbraw/zinc/32/31/80/867323180.db2.gz TXNAQZBDPCFXHD-AWEZNQCLSA-N 1 2 392.446 3.874 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+](CCO)Cc2cccnc2Cl)c1 ZINC000793365031 882129248 /nfs/dbraw/zinc/12/92/48/882129248.db2.gz FGNOQGIYTHPMFD-UHFFFAOYSA-N 1 2 385.689 3.506 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+](CCO)Cc2cccnc2Cl)c1 ZINC000793365031 882129254 /nfs/dbraw/zinc/12/92/54/882129254.db2.gz FGNOQGIYTHPMFD-UHFFFAOYSA-N 1 2 385.689 3.506 20 10 GHCDLO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc(Br)cc(Cl)c1O ZINC000793576816 882282504 /nfs/dbraw/zinc/28/25/04/882282504.db2.gz ZDEAIUCEBKYCGW-PXWWUCIGSA-N 1 2 394.737 3.617 20 10 GHCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(COc3cc(C)cc(C)c3)no2)c1 ZINC000182471775 872405413 /nfs/dbraw/zinc/40/54/13/872405413.db2.gz SRCSEWJJUZIPHL-OAHLLOKOSA-N 1 2 383.448 3.830 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000775695003 872950754 /nfs/dbraw/zinc/95/07/54/872950754.db2.gz REEYPSVZFIKSKA-UHFFFAOYSA-N 1 2 388.668 3.981 20 10 GHCDLO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000769414835 874031851 /nfs/dbraw/zinc/03/18/51/874031851.db2.gz KVYQKOKEJSOKNO-NXEZZACHSA-N 1 2 391.281 3.858 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1F ZINC000769476170 874095944 /nfs/dbraw/zinc/09/59/44/874095944.db2.gz WVMXOTRRGUFBGS-UHFFFAOYSA-N 1 2 378.513 3.707 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1F ZINC000769476170 874095963 /nfs/dbraw/zinc/09/59/63/874095963.db2.gz WVMXOTRRGUFBGS-UHFFFAOYSA-N 1 2 378.513 3.707 20 10 GHCDLO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000770382523 874623562 /nfs/dbraw/zinc/62/35/62/874623562.db2.gz WPASVIKAIVGEKZ-LBPRGKRZSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000770382523 874623568 /nfs/dbraw/zinc/62/35/68/874623568.db2.gz WPASVIKAIVGEKZ-LBPRGKRZSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCCSC1 ZINC000776230933 875955153 /nfs/dbraw/zinc/95/51/53/875955153.db2.gz CMZAZYROGVJFDP-JTQLQIEISA-N 1 2 381.133 3.902 20 10 GHCDLO COCC[N@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCOC1 ZINC000786190596 876510060 /nfs/dbraw/zinc/51/00/60/876510060.db2.gz NHSOZWAKJUBEPH-HXUWFJFHSA-N 1 2 382.464 3.778 20 10 GHCDLO COCC[N@@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCOC1 ZINC000786190596 876510071 /nfs/dbraw/zinc/51/00/71/876510071.db2.gz NHSOZWAKJUBEPH-HXUWFJFHSA-N 1 2 382.464 3.778 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1 ZINC000007354577 876776236 /nfs/dbraw/zinc/77/62/36/876776236.db2.gz JPINFTHDBAMRIC-KRWDZBQOSA-N 1 2 378.476 3.937 20 10 GHCDLO C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(Br)cc(F)c1O ZINC000850485587 876959680 /nfs/dbraw/zinc/95/96/80/876959680.db2.gz LLXLAKKKQVBQKI-SSDOTTSWSA-N 1 2 394.166 3.953 20 10 GHCDLO Cc1ccccc1Cc1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000175660037 877403695 /nfs/dbraw/zinc/40/36/95/877403695.db2.gz WYFMSKVBKBZTCP-FQEVSTJZSA-N 1 2 393.487 3.856 20 10 GHCDLO Cc1ccccc1Cc1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000175660037 877403696 /nfs/dbraw/zinc/40/36/96/877403696.db2.gz WYFMSKVBKBZTCP-FQEVSTJZSA-N 1 2 393.487 3.856 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606393 912359692 /nfs/dbraw/zinc/35/96/92/912359692.db2.gz FOROBTUYUDYCRV-OPAMFIHVSA-N 1 2 388.458 3.763 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000093606393 912359698 /nfs/dbraw/zinc/35/96/98/912359698.db2.gz FOROBTUYUDYCRV-OPAMFIHVSA-N 1 2 388.458 3.763 20 10 GHCDLO C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)[C@H]1CO ZINC001203565210 912465913 /nfs/dbraw/zinc/46/59/13/912465913.db2.gz WMERWMXRGZTOJX-RNCFNFMXSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)[C@H]1CO ZINC001203565210 912465921 /nfs/dbraw/zinc/46/59/21/912465921.db2.gz WMERWMXRGZTOJX-RNCFNFMXSA-N 1 2 393.119 3.510 20 10 GHCDLO CCC[N@H+](Cc1ccccc1O)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000772797139 881117490 /nfs/dbraw/zinc/11/74/90/881117490.db2.gz DEKBAUUMCFONAV-KRWDZBQOSA-N 1 2 395.272 3.732 20 10 GHCDLO CCC[N@@H+](Cc1ccccc1O)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000772797139 881117499 /nfs/dbraw/zinc/11/74/99/881117499.db2.gz DEKBAUUMCFONAV-KRWDZBQOSA-N 1 2 395.272 3.732 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000859945393 884195772 /nfs/dbraw/zinc/19/57/72/884195772.db2.gz QEOHZGBCAHYPOA-UHFFFAOYSA-N 1 2 376.460 3.650 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000859945393 884195781 /nfs/dbraw/zinc/19/57/81/884195781.db2.gz QEOHZGBCAHYPOA-UHFFFAOYSA-N 1 2 376.460 3.650 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000860043096 884284401 /nfs/dbraw/zinc/28/44/01/884284401.db2.gz NWULWVASKABUEB-ZHRRBRCNSA-N 1 2 390.487 3.826 20 10 GHCDLO CC[N@H+](CC(=O)NCCCSc1nccs1)Cc1ccccc1Cl ZINC000806851147 885029839 /nfs/dbraw/zinc/02/98/39/885029839.db2.gz IBCQUPRJBRJTGX-UHFFFAOYSA-N 1 2 383.970 3.917 20 10 GHCDLO CC[N@@H+](CC(=O)NCCCSc1nccs1)Cc1ccccc1Cl ZINC000806851147 885029858 /nfs/dbraw/zinc/02/98/58/885029858.db2.gz IBCQUPRJBRJTGX-UHFFFAOYSA-N 1 2 383.970 3.917 20 10 GHCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000807838433 885804094 /nfs/dbraw/zinc/80/40/94/885804094.db2.gz RKLRYAHIGZNHJH-KRWDZBQOSA-N 1 2 379.287 3.980 20 10 GHCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000807838433 885804100 /nfs/dbraw/zinc/80/41/00/885804100.db2.gz RKLRYAHIGZNHJH-KRWDZBQOSA-N 1 2 379.287 3.980 20 10 GHCDLO C[N@H+](Cc1ccsc1Br)Cc1ccc(N2CCOCC2)cc1 ZINC000862214161 886213567 /nfs/dbraw/zinc/21/35/67/886213567.db2.gz IIJNHDFRCKSBSV-UHFFFAOYSA-N 1 2 381.339 3.979 20 10 GHCDLO C[N@@H+](Cc1ccsc1Br)Cc1ccc(N2CCOCC2)cc1 ZINC000862214161 886213586 /nfs/dbraw/zinc/21/35/86/886213586.db2.gz IIJNHDFRCKSBSV-UHFFFAOYSA-N 1 2 381.339 3.979 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(N3CCCCC3=O)CC2)c(C)n1-c1ccccc1 ZINC000120151144 887890720 /nfs/dbraw/zinc/89/07/20/887890720.db2.gz YMWKISWPDFKSSY-UHFFFAOYSA-N 1 2 393.531 3.754 20 10 GHCDLO CN(Cc1ccc(N2CCCCC2)cc1)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000917016526 890748487 /nfs/dbraw/zinc/74/84/87/890748487.db2.gz VCKADMBTXCZDNY-UHFFFAOYSA-N 1 2 391.519 3.661 20 10 GHCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000874108550 891997450 /nfs/dbraw/zinc/99/74/50/891997450.db2.gz YFBZYNGPMQOPCS-QGZVFWFLSA-N 1 2 382.430 3.880 20 10 GHCDLO NC(=O)c1ccc(C[N@H+](Cc2cccc(Br)c2O)C2CC2)c(F)c1 ZINC000814171251 892322415 /nfs/dbraw/zinc/32/24/15/892322415.db2.gz MMTPEUAYBOQLDE-UHFFFAOYSA-N 1 2 393.256 3.557 20 10 GHCDLO NC(=O)c1ccc(C[N@@H+](Cc2cccc(Br)c2O)C2CC2)c(F)c1 ZINC000814171251 892322429 /nfs/dbraw/zinc/32/24/29/892322429.db2.gz MMTPEUAYBOQLDE-UHFFFAOYSA-N 1 2 393.256 3.557 20 10 GHCDLO CCOc1ccc(O)c(C[NH+]2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000877779382 893808901 /nfs/dbraw/zinc/80/89/01/893808901.db2.gz HPJMRSXDHXQRTC-UHFFFAOYSA-N 1 2 389.517 3.538 20 10 GHCDLO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816609534 894971624 /nfs/dbraw/zinc/97/16/24/894971624.db2.gz FHLMJTKCZZISKZ-LLVKDONJSA-N 1 2 382.785 3.608 20 10 GHCDLO CC(C)[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1nnc2ccccn21 ZINC000882957074 897144445 /nfs/dbraw/zinc/14/44/45/897144445.db2.gz VSKUQSNAWAXHKZ-HNNXBMFYSA-N 1 2 393.260 3.823 20 10 GHCDLO CN(C)c1nc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)cs1 ZINC000883027740 897213290 /nfs/dbraw/zinc/21/32/90/897213290.db2.gz MTPRKKCOCDPPME-UHFFFAOYSA-N 1 2 376.707 3.620 20 10 GHCDLO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883140132 897316012 /nfs/dbraw/zinc/31/60/12/897316012.db2.gz KIZLRJQRIOIPJQ-JTQLQIEISA-N 1 2 398.688 3.628 20 10 GHCDLO CCc1ncc(C[NH2+]Cc2cc(Br)cc(Br)c2O)o1 ZINC000825078926 899966532 /nfs/dbraw/zinc/96/65/32/899966532.db2.gz FWRUCNGHXCTIHB-UHFFFAOYSA-N 1 2 390.075 3.757 20 10 GHCDLO O=C(NCc1cc(Cl)ccc1O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000844489424 900919575 /nfs/dbraw/zinc/91/95/75/900919575.db2.gz KGYLLJSZDXWJOK-UHFFFAOYSA-N 1 2 380.901 3.810 20 10 GHCDLO Oc1ccc(F)cc1C[NH+]1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000778996393 902609250 /nfs/dbraw/zinc/60/92/50/902609250.db2.gz ZSCRNYAPDIFGEJ-UHFFFAOYSA-N 1 2 376.300 3.549 20 10 GHCDLO COc1cc(OC)cc([C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)c2nccn2C)c1 ZINC000128905538 902732320 /nfs/dbraw/zinc/73/23/20/902732320.db2.gz VZKHNEZNZZLAOL-KSFYIVLOSA-N 1 2 394.519 3.944 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000846824121 903216196 /nfs/dbraw/zinc/21/61/96/903216196.db2.gz ICXCHXSFYGCPSU-UHFFFAOYSA-N 1 2 393.365 3.919 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000846824121 903216201 /nfs/dbraw/zinc/21/62/01/903216201.db2.gz ICXCHXSFYGCPSU-UHFFFAOYSA-N 1 2 393.365 3.919 20 10 GHCDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133647134 903403953 /nfs/dbraw/zinc/40/39/53/903403953.db2.gz RSVBYNOWTAOXNZ-SFHVURJKSA-N 1 2 392.503 3.690 20 10 GHCDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133647134 903403958 /nfs/dbraw/zinc/40/39/58/903403958.db2.gz RSVBYNOWTAOXNZ-SFHVURJKSA-N 1 2 392.503 3.690 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2COc3cccc(OC)c3C2)C1 ZINC001173160495 906245921 /nfs/dbraw/zinc/24/59/21/906245921.db2.gz JISLIUKGGJOGDR-HNNXBMFYSA-N 1 2 378.472 3.557 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@@H]2COc3cccc(OC)c3C2)C1 ZINC001173160495 906245934 /nfs/dbraw/zinc/24/59/34/906245934.db2.gz JISLIUKGGJOGDR-HNNXBMFYSA-N 1 2 378.472 3.557 20 10 GHCDLO COc1cccc2c(NCc3ccc(N4CCN(C(C)=O)CC4)cc3)cc[nH+]c12 ZINC000191857428 907284303 /nfs/dbraw/zinc/28/43/03/907284303.db2.gz OSXMITSIFKMNSL-UHFFFAOYSA-N 1 2 390.487 3.524 20 10 GHCDLO COc1cc(OC)cc([C@H]([NH2+][C@H](C)c2ccc(F)cc2O)c2nccn2C)c1 ZINC000184960273 907686048 /nfs/dbraw/zinc/68/60/48/907686048.db2.gz JJWDXNLZGPIECM-XCLFUZPHSA-N 1 2 385.439 3.722 20 10 GHCDLO Nc1cc(C(F)(F)F)c(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c[nH+]1 ZINC001175713806 907698755 /nfs/dbraw/zinc/69/87/55/907698755.db2.gz DRWPHAIUMOOATI-UHFFFAOYSA-N 1 2 399.328 3.907 20 10 GHCDLO C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)cc(Br)c1O ZINC000185113049 907714969 /nfs/dbraw/zinc/71/49/69/907714969.db2.gz FUUZARPXUOEKIQ-MRVPVSSYSA-N 1 2 389.091 3.502 20 10 GHCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001177911227 908798032 /nfs/dbraw/zinc/79/80/32/908798032.db2.gz HLKBQPUKUHNVGB-QFBILLFUSA-N 1 2 395.330 3.672 20 10 GHCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001177911227 908798042 /nfs/dbraw/zinc/79/80/42/908798042.db2.gz HLKBQPUKUHNVGB-QFBILLFUSA-N 1 2 395.330 3.672 20 10 GHCDLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000269127933 910151312 /nfs/dbraw/zinc/15/13/12/910151312.db2.gz YUMSMRDOVQIUOQ-ZIAGYGMSSA-N 1 2 379.501 3.677 20 10 GHCDLO COc1ccc(C)cc1C[NH+]1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC001180574071 910220569 /nfs/dbraw/zinc/22/05/69/910220569.db2.gz JJAFPIANBAOXAE-UHFFFAOYSA-N 1 2 378.875 3.820 20 10 GHCDLO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2O)C1 ZINC001181622218 910885606 /nfs/dbraw/zinc/88/56/06/910885606.db2.gz RPQKDWDXGJGLOS-HOCLYGCPSA-N 1 2 382.451 3.893 20 10 GHCDLO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2O)C1 ZINC001181622218 910885614 /nfs/dbraw/zinc/88/56/14/910885614.db2.gz RPQKDWDXGJGLOS-HOCLYGCPSA-N 1 2 382.451 3.893 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC000796339229 914891071 /nfs/dbraw/zinc/89/10/71/914891071.db2.gz SUGIRFWXSMTPSB-VQIMIIECSA-N 1 2 394.437 3.770 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC000796339229 914891088 /nfs/dbraw/zinc/89/10/88/914891088.db2.gz SUGIRFWXSMTPSB-VQIMIIECSA-N 1 2 394.437 3.770 20 10 GHCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCC1 ZINC000651255205 917553618 /nfs/dbraw/zinc/55/36/18/917553618.db2.gz KSCSLHLZBVMMSF-KRWDZBQOSA-N 1 2 392.503 3.589 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000802642972 922287628 /nfs/dbraw/zinc/28/76/28/922287628.db2.gz IBFDPDQNJBNWEA-UHFFFAOYSA-N 1 2 391.471 3.815 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N[C@H](C)c3ccccc3C)CC2)cc1F ZINC000753857497 929565554 /nfs/dbraw/zinc/56/55/54/929565554.db2.gz MQVNOGBYFAOKLC-MSOLQXFVSA-N 1 2 399.510 3.531 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCc3c(Br)ccc(F)c3C2)cc1OC ZINC000758014147 929888686 /nfs/dbraw/zinc/88/86/86/929888686.db2.gz MFDYVWFVDLSTDY-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCc3c(Br)ccc(F)c3C2)cc1OC ZINC000758014147 929888689 /nfs/dbraw/zinc/88/86/89/929888689.db2.gz MFDYVWFVDLSTDY-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000781913733 931027302 /nfs/dbraw/zinc/02/73/02/931027302.db2.gz SBNVTVQBKGEYKP-UHFFFAOYSA-N 1 2 399.235 3.812 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000781913733 931027310 /nfs/dbraw/zinc/02/73/10/931027310.db2.gz SBNVTVQBKGEYKP-UHFFFAOYSA-N 1 2 399.235 3.812 20 10 GHCDLO C[C@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1cc2c(cc1O)CCCC2 ZINC000783312893 931517341 /nfs/dbraw/zinc/51/73/41/931517341.db2.gz KJNZDJYFYAFAPS-HNNXBMFYSA-N 1 2 380.467 3.901 20 10 GHCDLO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)[C@@H](C)C1 ZINC000799738029 933106033 /nfs/dbraw/zinc/10/60/33/933106033.db2.gz RADDCKLJYHTKBL-CABZTGNLSA-N 1 2 393.119 3.917 20 10 GHCDLO CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)[C@@H](C)C1 ZINC000799738029 933106038 /nfs/dbraw/zinc/10/60/38/933106038.db2.gz RADDCKLJYHTKBL-CABZTGNLSA-N 1 2 393.119 3.917 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C[C@H]1C(F)(F)F ZINC001137840353 935817798 /nfs/dbraw/zinc/81/77/98/935817798.db2.gz YMZBWTHHMDNOGZ-TZMCWYRMSA-N 1 2 392.393 3.809 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C[C@H]1C(F)(F)F ZINC001137840353 935817802 /nfs/dbraw/zinc/81/78/02/935817802.db2.gz YMZBWTHHMDNOGZ-TZMCWYRMSA-N 1 2 392.393 3.809 20 10 GHCDLO O=C(NCC1CCCC1)[C@@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232694 1032520920 /nfs/dbraw/zinc/52/09/20/1032520920.db2.gz XHOZQENWGSGTEF-KRWDZBQOSA-N 1 2 376.928 3.954 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@H+](Cc3c(O)cccc3Cl)[C@@H](C)C2)cc1 ZINC001140341245 1021452112 /nfs/dbraw/zinc/45/21/12/1021452112.db2.gz GIMYAXIMFNXWHM-HNNXBMFYSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@@H+](Cc3c(O)cccc3Cl)[C@@H](C)C2)cc1 ZINC001140341245 1021452115 /nfs/dbraw/zinc/45/21/15/1021452115.db2.gz GIMYAXIMFNXWHM-HNNXBMFYSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3c(O)cccc3Cl)[C@@H](C)C2)cc1 ZINC001140341245 1021452118 /nfs/dbraw/zinc/45/21/18/1021452118.db2.gz GIMYAXIMFNXWHM-HNNXBMFYSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(C[N@H+]2CCN(Cc3c(O)cccc3Cl)[C@@H](C)C2)cc1 ZINC001140341245 1021452121 /nfs/dbraw/zinc/45/21/21/1021452121.db2.gz GIMYAXIMFNXWHM-HNNXBMFYSA-N 1 2 388.895 3.539 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001140580425 1022000977 /nfs/dbraw/zinc/00/09/77/1022000977.db2.gz BNLNGVAXANRQLJ-UHFFFAOYSA-N 1 2 385.389 3.867 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001140580425 1022000982 /nfs/dbraw/zinc/00/09/82/1022000982.db2.gz BNLNGVAXANRQLJ-UHFFFAOYSA-N 1 2 385.389 3.867 20 10 GHCDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001204743429 1033059650 /nfs/dbraw/zinc/05/96/50/1033059650.db2.gz GUJOHJHKJTUYBS-KRWDZBQOSA-N 1 2 376.403 3.591 20 10 GHCDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001204743429 1033059659 /nfs/dbraw/zinc/05/96/59/1033059659.db2.gz GUJOHJHKJTUYBS-KRWDZBQOSA-N 1 2 376.403 3.591 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)Cc2cnn(CC)c21 ZINC001140924017 1022901439 /nfs/dbraw/zinc/90/14/39/1022901439.db2.gz KCAVYKTYUAJCRQ-KRWDZBQOSA-N 1 2 376.932 3.758 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)Cc2cnn(CC)c21 ZINC001140924017 1022901442 /nfs/dbraw/zinc/90/14/42/1022901442.db2.gz KCAVYKTYUAJCRQ-KRWDZBQOSA-N 1 2 376.932 3.758 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1O ZINC000756433721 1023646788 /nfs/dbraw/zinc/64/67/88/1023646788.db2.gz XZHXDCBDYHDGPT-ZJUUUORDSA-N 1 2 399.226 3.829 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)cc(F)c1O ZINC000756582356 1023720924 /nfs/dbraw/zinc/72/09/24/1023720924.db2.gz HORGAOJNCLBCTO-LOWVWBTDSA-N 1 2 387.293 3.591 20 10 GHCDLO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2)c1 ZINC000756639058 1023748756 /nfs/dbraw/zinc/74/87/56/1023748756.db2.gz VZEASUMSBRZPJV-JSGCOSHPSA-N 1 2 378.419 3.617 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(Br)cc(F)c1O ZINC000756660200 1023760233 /nfs/dbraw/zinc/76/02/33/1023760233.db2.gz KZZQROARMRNYSI-BDJLRTHQSA-N 1 2 393.256 3.750 20 10 GHCDLO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Br)cc(Br)c1O ZINC000756770653 1023808848 /nfs/dbraw/zinc/80/88/48/1023808848.db2.gz ZKMICIGAJAHJTK-GZMMTYOYSA-N 1 2 393.119 3.729 20 10 GHCDLO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756784616 1023815299 /nfs/dbraw/zinc/81/52/99/1023815299.db2.gz PJDYRIUXSIJDSE-UPONEAKYSA-N 1 2 376.600 3.772 20 10 GHCDLO CN1CCOc2cc(C[NH+]3CCN(c4ncc(Cl)cc4Cl)CC3)ccc21 ZINC001141145088 1023964911 /nfs/dbraw/zinc/96/49/11/1023964911.db2.gz PSNYGBBBUHUNGN-UHFFFAOYSA-N 1 2 393.318 3.539 20 10 GHCDLO CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141374482 1024767720 /nfs/dbraw/zinc/76/77/20/1024767720.db2.gz JOPOITCRQYQEGS-NSHDSACASA-N 1 2 390.705 3.973 20 10 GHCDLO CCOC(=O)[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141374482 1024767726 /nfs/dbraw/zinc/76/77/26/1024767726.db2.gz JOPOITCRQYQEGS-NSHDSACASA-N 1 2 390.705 3.973 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(Cl)cc(OC)c3OC)CC2)c(C)c1 ZINC001138749162 1025291616 /nfs/dbraw/zinc/29/16/16/1025291616.db2.gz IOERGRXANUUOND-UHFFFAOYSA-N 1 2 390.911 3.996 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C ZINC001139129663 1025941799 /nfs/dbraw/zinc/94/17/99/1025941799.db2.gz BWFQIVKMNMXFDQ-UHFFFAOYSA-N 1 2 390.480 3.542 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](CCNC(=O)OC(C)(C)C)C(C)C ZINC001139129663 1025941808 /nfs/dbraw/zinc/94/18/08/1025941808.db2.gz BWFQIVKMNMXFDQ-UHFFFAOYSA-N 1 2 390.480 3.542 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000839921502 1026348038 /nfs/dbraw/zinc/34/80/38/1026348038.db2.gz KBWMFKKYEZVZLP-LJQANCHMSA-N 1 2 390.531 3.596 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2Cc1c(O)cccc1Br ZINC001140100036 1026877225 /nfs/dbraw/zinc/87/72/25/1026877225.db2.gz BQUXNQVZJYSECI-LSDHHAIUSA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2Cc1c(O)cccc1Br ZINC001140100036 1026877235 /nfs/dbraw/zinc/87/72/35/1026877235.db2.gz BQUXNQVZJYSECI-LSDHHAIUSA-N 1 2 397.313 3.738 20 10 GHCDLO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1Cc1c(O)cccc1Br ZINC001140102421 1026882471 /nfs/dbraw/zinc/88/24/71/1026882471.db2.gz QHKCFRCKEARPNW-CQSZACIVSA-N 1 2 389.293 3.501 20 10 GHCDLO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1Cc1c(O)cccc1Br ZINC001140102421 1026882480 /nfs/dbraw/zinc/88/24/80/1026882480.db2.gz QHKCFRCKEARPNW-CQSZACIVSA-N 1 2 389.293 3.501 20 10 GHCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)[C@@H](C)O1 ZINC001203370394 1027296883 /nfs/dbraw/zinc/29/68/83/1027296883.db2.gz ZKEUCMDJHGALLU-DNSOKLHBSA-N 1 2 379.092 3.573 20 10 GHCDLO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001203429057 1027330866 /nfs/dbraw/zinc/33/08/66/1027330866.db2.gz VTHAXIBENVFGPG-GZMMTYOYSA-N 1 2 381.108 3.556 20 10 GHCDLO C[N@H+](Cc1ccno1)Cc1cc(Br)cc(Br)c1O ZINC001203572009 1027441394 /nfs/dbraw/zinc/44/13/94/1027441394.db2.gz UASRAAUHNGYQED-UHFFFAOYSA-N 1 2 376.048 3.537 20 10 GHCDLO C[N@@H+](Cc1ccno1)Cc1cc(Br)cc(Br)c1O ZINC001203572009 1027441400 /nfs/dbraw/zinc/44/14/00/1027441400.db2.gz UASRAAUHNGYQED-UHFFFAOYSA-N 1 2 376.048 3.537 20 10 GHCDLO COc1ccc(O)c(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001203684554 1027530049 /nfs/dbraw/zinc/53/00/49/1027530049.db2.gz ZFVAMPCXDUZQLF-IBGZPJMESA-N 1 2 380.410 3.650 20 10 GHCDLO COc1ccc(O)c(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001203684554 1027530061 /nfs/dbraw/zinc/53/00/61/1027530061.db2.gz ZFVAMPCXDUZQLF-IBGZPJMESA-N 1 2 380.410 3.650 20 10 GHCDLO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000840808198 1027848590 /nfs/dbraw/zinc/84/85/90/1027848590.db2.gz HOHNRIWCVMDCRB-YPMHNXCESA-N 1 2 398.272 3.729 20 10 GHCDLO OC[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)C[C@@H]1c1ccccc1 ZINC001461540353 1069599315 /nfs/dbraw/zinc/59/93/15/1069599315.db2.gz OPNFGFHAHVHGFU-QAPCUYQASA-N 1 2 380.257 3.550 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC001205493232 1033438426 /nfs/dbraw/zinc/43/84/26/1033438426.db2.gz RSKMJDMKTTUISO-GOSISDBHSA-N 1 2 378.241 3.925 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC001205493232 1033438437 /nfs/dbraw/zinc/43/84/37/1033438437.db2.gz RSKMJDMKTTUISO-GOSISDBHSA-N 1 2 378.241 3.925 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)cc(F)c2O)N1CC1CCCC1 ZINC001277388115 1033485599 /nfs/dbraw/zinc/48/55/99/1033485599.db2.gz SIZJIZNTGKOIOH-QZTJIDSGSA-N 1 2 380.891 3.940 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001231553598 1034705343 /nfs/dbraw/zinc/70/53/43/1034705343.db2.gz ZGVGMGBXXGVLMU-KRWDZBQOSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1ccc(Br)c(C[N@H+]2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001231553598 1034705350 /nfs/dbraw/zinc/70/53/50/1034705350.db2.gz ZGVGMGBXXGVLMU-KRWDZBQOSA-N 1 2 391.309 3.652 20 10 GHCDLO CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231638483 1034795354 /nfs/dbraw/zinc/79/53/54/1034795354.db2.gz CDVZSYBVBBNJHD-MSOLQXFVSA-N 1 2 385.460 3.765 20 10 GHCDLO CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231638483 1034795366 /nfs/dbraw/zinc/79/53/66/1034795366.db2.gz CDVZSYBVBBNJHD-MSOLQXFVSA-N 1 2 385.460 3.765 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1Cl ZINC001231869973 1034956010 /nfs/dbraw/zinc/95/60/10/1034956010.db2.gz CTGCLNFJHLYGHH-UHFFFAOYSA-N 1 2 379.287 3.965 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC001231870092 1034957184 /nfs/dbraw/zinc/95/71/84/1034957184.db2.gz JBDNMMBKXPGCKY-UHFFFAOYSA-N 1 2 379.287 3.965 20 10 GHCDLO COc1ccc(N2C[C@]3(CC[N@H+](Cc4cccc(Cl)c4O)C3)CC2=O)cc1 ZINC001231909473 1034984201 /nfs/dbraw/zinc/98/42/01/1034984201.db2.gz FHGLVYJKFDQEPW-OAQYLSRUSA-N 1 2 386.879 3.683 20 10 GHCDLO COc1ccc(N2C[C@]3(CC[N@@H+](Cc4cccc(Cl)c4O)C3)CC2=O)cc1 ZINC001231909473 1034984204 /nfs/dbraw/zinc/98/42/04/1034984204.db2.gz FHGLVYJKFDQEPW-OAQYLSRUSA-N 1 2 386.879 3.683 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001231910907 1034985381 /nfs/dbraw/zinc/98/53/81/1034985381.db2.gz ZAECASOSYKAAOH-MISYRCLQSA-N 1 2 388.895 3.779 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001231910907 1034985384 /nfs/dbraw/zinc/98/53/84/1034985384.db2.gz ZAECASOSYKAAOH-MISYRCLQSA-N 1 2 388.895 3.779 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001231911169 1034985521 /nfs/dbraw/zinc/98/55/21/1034985521.db2.gz DUCTYANVRBZTGS-ZSZQSSIHSA-N 1 2 394.924 3.698 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001231911169 1034985529 /nfs/dbraw/zinc/98/55/29/1034985529.db2.gz DUCTYANVRBZTGS-ZSZQSSIHSA-N 1 2 394.924 3.698 20 10 GHCDLO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4cccc(Cl)c4O)C3)C2)n1 ZINC001231911837 1034987097 /nfs/dbraw/zinc/98/70/97/1034987097.db2.gz QXUQIPCTQQMQGI-NQIIRXRSSA-N 1 2 388.895 3.699 20 10 GHCDLO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4cccc(Cl)c4O)C3)C2)n1 ZINC001231911837 1034987101 /nfs/dbraw/zinc/98/71/01/1034987101.db2.gz QXUQIPCTQQMQGI-NQIIRXRSSA-N 1 2 388.895 3.699 20 10 GHCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ncc(C(F)(F)F)cc1F ZINC001248789297 1036150490 /nfs/dbraw/zinc/15/04/90/1036150490.db2.gz UQSDZHOKDHRFCZ-UHFFFAOYSA-N 1 2 383.389 3.708 20 10 GHCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ncc(C(F)(F)F)cc1F ZINC001248789297 1036150500 /nfs/dbraw/zinc/15/05/00/1036150500.db2.gz UQSDZHOKDHRFCZ-UHFFFAOYSA-N 1 2 383.389 3.708 20 10 GHCDLO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2O)C1=O ZINC001462265300 1070130643 /nfs/dbraw/zinc/13/06/43/1070130643.db2.gz CZVGTDASOVGXBJ-PXAZEXFGSA-N 1 2 378.394 3.651 20 10 GHCDLO COc1cc(O)c(C[NH+]2CCN(c3ccccc3F)CC2)cc1Br ZINC001233139695 1038918825 /nfs/dbraw/zinc/91/88/25/1038918825.db2.gz PEABPWCYIJSYCT-UHFFFAOYSA-N 1 2 395.272 3.625 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)Cc2c1cnn2CC ZINC001233416730 1039271872 /nfs/dbraw/zinc/27/18/72/1039271872.db2.gz TWSGRVQELFIULS-CQSZACIVSA-N 1 2 383.414 3.763 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)Cc2c1cnn2CC ZINC001233416730 1039271887 /nfs/dbraw/zinc/27/18/87/1039271887.db2.gz TWSGRVQELFIULS-CQSZACIVSA-N 1 2 383.414 3.763 20 10 GHCDLO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233419953 1039282967 /nfs/dbraw/zinc/28/29/67/1039282967.db2.gz SRTANAVAJFWGNT-CQSZACIVSA-N 1 2 378.394 3.758 20 10 GHCDLO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233419953 1039282978 /nfs/dbraw/zinc/28/29/78/1039282978.db2.gz SRTANAVAJFWGNT-CQSZACIVSA-N 1 2 378.394 3.758 20 10 GHCDLO O=C1N(CC(F)F)CC[C@]12CCC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829527 1039805678 /nfs/dbraw/zinc/80/56/78/1039805678.db2.gz FWXXDTBMXJEFDW-MRXNPFEDSA-N 1 2 379.234 3.531 20 10 GHCDLO O=C1N(CC(F)F)CC[C@]12CCC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277829527 1039805695 /nfs/dbraw/zinc/80/56/95/1039805695.db2.gz FWXXDTBMXJEFDW-MRXNPFEDSA-N 1 2 379.234 3.531 20 10 GHCDLO Cc1cc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)n1-c1ccccc1 ZINC001234328559 1039970416 /nfs/dbraw/zinc/97/04/16/1039970416.db2.gz VURPMJNXUATYKT-GOSISDBHSA-N 1 2 377.492 3.906 20 10 GHCDLO Oc1ccc(-c2nnc(Cc3ccc(Cl)cc3)o2)cc1C[NH+]1CCOCC1 ZINC001254318200 1040169971 /nfs/dbraw/zinc/16/99/71/1040169971.db2.gz VOGRBBHKYNINRR-UHFFFAOYSA-N 1 2 385.851 3.519 20 10 GHCDLO COc1ccc(C[N@H+](C)Cc2cc(Br)cc(F)c2O)cc1OC ZINC001235063859 1040552119 /nfs/dbraw/zinc/55/21/19/1040552119.db2.gz BTOSEHTZBVSWSV-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1ccc(C[N@@H+](C)Cc2cc(Br)cc(F)c2O)cc1OC ZINC001235063859 1040552138 /nfs/dbraw/zinc/55/21/38/1040552138.db2.gz BTOSEHTZBVSWSV-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO CC(=O)N1CCCCC12CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001235064461 1040552436 /nfs/dbraw/zinc/55/24/36/1040552436.db2.gz FAWKLTAZLQNKJN-UHFFFAOYSA-N 1 2 399.304 3.661 20 10 GHCDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)nc1 ZINC001235076162 1040564606 /nfs/dbraw/zinc/56/46/06/1040564606.db2.gz SMUAFFHSOGBFFI-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)nc1 ZINC001235076162 1040564619 /nfs/dbraw/zinc/56/46/19/1040564619.db2.gz SMUAFFHSOGBFFI-AWEZNQCLSA-N 1 2 381.245 3.651 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001235310045 1040785047 /nfs/dbraw/zinc/78/50/47/1040785047.db2.gz ZTOHYFUMWLTDIE-HUUCEWRRSA-N 1 2 391.284 3.862 20 10 GHCDLO CC(C)(C)c1csc(CC2(O)CC[NH+](Cc3ccc(F)c(F)c3O)CC2)n1 ZINC001462510238 1070313078 /nfs/dbraw/zinc/31/30/78/1070313078.db2.gz CWKVSTVQHLILTJ-UHFFFAOYSA-N 1 2 396.503 3.994 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255601377 1041159546 /nfs/dbraw/zinc/15/95/46/1041159546.db2.gz DNMIEPZRONQIHF-HNNXBMFYSA-N 1 2 385.508 3.554 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255601377 1041159555 /nfs/dbraw/zinc/15/95/55/1041159555.db2.gz DNMIEPZRONQIHF-HNNXBMFYSA-N 1 2 385.508 3.554 20 10 GHCDLO COc1cc(C)c(C[N@@H+]2CCN[C@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235797534 1041299268 /nfs/dbraw/zinc/29/92/68/1041299268.db2.gz VXEQHOYPLRRFNP-SFHVURJKSA-N 1 2 391.309 3.618 20 10 GHCDLO COc1cc(C)c(C[N@H+]2CCN[C@H](c3cccc(Br)c3)C2)c(O)c1 ZINC001235797534 1041299282 /nfs/dbraw/zinc/29/92/82/1041299282.db2.gz VXEQHOYPLRRFNP-SFHVURJKSA-N 1 2 391.309 3.618 20 10 GHCDLO Oc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(O)cc1Br ZINC001236766258 1041880181 /nfs/dbraw/zinc/88/01/81/1041880181.db2.gz NTKHYUIHCLFXFH-UHFFFAOYSA-N 1 2 397.700 3.836 20 10 GHCDLO COCCN1CC[N@H+](Cc2cc(Cl)c(Cl)cc2O)Cc2cccnc21 ZINC001236793016 1041898084 /nfs/dbraw/zinc/89/80/84/1041898084.db2.gz KVOOSRMSZGVJFQ-UHFFFAOYSA-N 1 2 382.291 3.563 20 10 GHCDLO COCCN1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)Cc2cccnc21 ZINC001236793016 1041898089 /nfs/dbraw/zinc/89/80/89/1041898089.db2.gz KVOOSRMSZGVJFQ-UHFFFAOYSA-N 1 2 382.291 3.563 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c(O)c1Cl ZINC001236803073 1041905095 /nfs/dbraw/zinc/90/50/95/1041905095.db2.gz DXKHXEVJKLUBHK-LJQANCHMSA-N 1 2 392.908 3.745 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c(O)c1Cl ZINC001236803073 1041905097 /nfs/dbraw/zinc/90/50/97/1041905097.db2.gz DXKHXEVJKLUBHK-LJQANCHMSA-N 1 2 392.908 3.745 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(O)c1Cl ZINC001236802979 1041905271 /nfs/dbraw/zinc/90/52/71/1041905271.db2.gz XHBRLUUYDHYTGU-HIFRSBDPSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(O)c1Cl ZINC001236802979 1041905274 /nfs/dbraw/zinc/90/52/74/1041905274.db2.gz XHBRLUUYDHYTGU-HIFRSBDPSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236803522 1041905847 /nfs/dbraw/zinc/90/58/47/1041905847.db2.gz VAWNKZGTXINEKA-IBGZPJMESA-N 1 2 384.904 3.933 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236803522 1041905849 /nfs/dbraw/zinc/90/58/49/1041905849.db2.gz VAWNKZGTXINEKA-IBGZPJMESA-N 1 2 384.904 3.933 20 10 GHCDLO COc1ccc(C[NH+]2CCC3(CC[C@H](COC(C)=O)C3)CC2)c(O)c1Cl ZINC001236810316 1041910642 /nfs/dbraw/zinc/91/06/42/1041910642.db2.gz SPBABEMKMQVIPZ-HNNXBMFYSA-N 1 2 381.900 4.000 20 10 GHCDLO COc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236811871 1041911450 /nfs/dbraw/zinc/91/14/50/1041911450.db2.gz QJUYIDUOYLFFFC-CYBMUJFWSA-N 1 2 384.904 3.743 20 10 GHCDLO COc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236811871 1041911454 /nfs/dbraw/zinc/91/14/54/1041911454.db2.gz QJUYIDUOYLFFFC-CYBMUJFWSA-N 1 2 384.904 3.743 20 10 GHCDLO COc1cc(O)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c(Br)c1 ZINC001237073913 1042023068 /nfs/dbraw/zinc/02/30/68/1042023068.db2.gz XFIGDXYXSFXANR-UHFFFAOYSA-N 1 2 396.203 3.507 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001237081420 1042026696 /nfs/dbraw/zinc/02/66/96/1042026696.db2.gz XKVPCBHFHHJTJY-KBPBESRZSA-N 1 2 378.303 3.658 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001237124249 1042052061 /nfs/dbraw/zinc/05/20/61/1042052061.db2.gz LEDGDVOLYUBCJW-UHFFFAOYSA-N 1 2 389.780 3.921 20 10 GHCDLO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237142865 1042061615 /nfs/dbraw/zinc/06/16/15/1042061615.db2.gz JOQBGVMZUPOAMN-CQSZACIVSA-N 1 2 378.394 3.758 20 10 GHCDLO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237142865 1042061620 /nfs/dbraw/zinc/06/16/20/1042061620.db2.gz JOQBGVMZUPOAMN-CQSZACIVSA-N 1 2 378.394 3.758 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237791292 1042371879 /nfs/dbraw/zinc/37/18/79/1042371879.db2.gz IMBMWROFIMEYKO-ONGXEEELSA-N 1 2 380.204 3.642 20 10 GHCDLO C[N@H+](Cc1cnccn1)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237791042 1042371980 /nfs/dbraw/zinc/37/19/80/1042371980.db2.gz GIJAJWIAOYCBGE-UHFFFAOYSA-N 1 2 376.176 3.596 20 10 GHCDLO C[N@@H+](Cc1cnccn1)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237791042 1042371986 /nfs/dbraw/zinc/37/19/86/1042371986.db2.gz GIJAJWIAOYCBGE-UHFFFAOYSA-N 1 2 376.176 3.596 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]2C1 ZINC001237799045 1042375594 /nfs/dbraw/zinc/37/55/94/1042375594.db2.gz NKTOHZNQVUDPBX-JSGCOSHPSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]2C1 ZINC001237799045 1042375597 /nfs/dbraw/zinc/37/55/97/1042375597.db2.gz NKTOHZNQVUDPBX-JSGCOSHPSA-N 1 2 384.879 3.874 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1)c1ccccc1F ZINC001237803071 1042378852 /nfs/dbraw/zinc/37/88/52/1042378852.db2.gz QFSRKBOWEFMUPB-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO CO[C@@H](C[NH+]1CCN(Cc2cc(F)cc(Cl)c2O)CC1)c1ccccc1 ZINC001237805293 1042379870 /nfs/dbraw/zinc/37/98/70/1042379870.db2.gz LIETWQAVRZZRAM-IBGZPJMESA-N 1 2 378.875 3.690 20 10 GHCDLO O=C(NCCCSc1nccs1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001292997998 1043977220 /nfs/dbraw/zinc/97/72/20/1043977220.db2.gz XNBGWXNUBZKWOM-GASCZTMLSA-N 1 2 376.551 3.807 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)cc1 ZINC000728688797 1048243878 /nfs/dbraw/zinc/24/38/78/1048243878.db2.gz XXYOFXJVMFHONL-UHFFFAOYSA-N 1 2 385.414 3.951 20 10 GHCDLO C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC001307590208 1049428947 /nfs/dbraw/zinc/42/89/47/1049428947.db2.gz SPYHPICZRYAVAG-OAGGEKHMSA-N 1 2 390.483 3.767 20 10 GHCDLO C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC001307590208 1049428951 /nfs/dbraw/zinc/42/89/51/1049428951.db2.gz SPYHPICZRYAVAG-OAGGEKHMSA-N 1 2 390.483 3.767 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(c3ncccc3F)CC2)c(C(F)(F)F)c1 ZINC001308567456 1050012572 /nfs/dbraw/zinc/01/25/72/1050012572.db2.gz GRCSALGZBLFOSY-UHFFFAOYSA-N 1 2 382.405 3.628 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cc(Br)cc(F)c2O)cc1 ZINC001308851308 1050124052 /nfs/dbraw/zinc/12/40/52/1050124052.db2.gz URJRWTVFRSPWBQ-UHFFFAOYSA-N 1 2 397.288 3.871 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cc(Br)cc(F)c2O)cc1 ZINC001308851308 1050124057 /nfs/dbraw/zinc/12/40/57/1050124057.db2.gz URJRWTVFRSPWBQ-UHFFFAOYSA-N 1 2 397.288 3.871 20 10 GHCDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)c(F)c1)C2 ZINC001330017004 1050940375 /nfs/dbraw/zinc/94/03/75/1050940375.db2.gz SYBHSBHJZRXKNB-UHFFFAOYSA-N 1 2 395.522 3.634 20 10 GHCDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)c(F)c1)C2 ZINC001330017004 1050940379 /nfs/dbraw/zinc/94/03/79/1050940379.db2.gz SYBHSBHJZRXKNB-UHFFFAOYSA-N 1 2 395.522 3.634 20 10 GHCDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(N3CCN(C)CC3)c(F)c1)C2 ZINC001330017004 1050940382 /nfs/dbraw/zinc/94/03/82/1050940382.db2.gz SYBHSBHJZRXKNB-UHFFFAOYSA-N 1 2 395.522 3.634 20 10 GHCDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(N3CCN(C)CC3)c(F)c1)C2 ZINC001330017004 1050940385 /nfs/dbraw/zinc/94/03/85/1050940385.db2.gz SYBHSBHJZRXKNB-UHFFFAOYSA-N 1 2 395.522 3.634 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001311946107 1052492151 /nfs/dbraw/zinc/49/21/51/1052492151.db2.gz ZODJTHQSZSHMMC-UHFFFAOYSA-N 1 2 397.910 3.900 20 10 GHCDLO COC(=O)C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc(Cl)ccc1O ZINC001319823873 1055491245 /nfs/dbraw/zinc/49/12/45/1055491245.db2.gz UWQDKGPRNZFQJJ-UHFFFAOYSA-N 1 2 388.895 3.821 20 10 GHCDLO COC(=O)C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc(Cl)ccc1O ZINC001319823873 1055491255 /nfs/dbraw/zinc/49/12/55/1055491255.db2.gz UWQDKGPRNZFQJJ-UHFFFAOYSA-N 1 2 388.895 3.821 20 10 GHCDLO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC001319841594 1055499596 /nfs/dbraw/zinc/49/95/96/1055499596.db2.gz NHWXVWHYMJRSRW-MRXNPFEDSA-N 1 2 389.293 3.549 20 10 GHCDLO COc1cccc(Cl)c1CNCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321029254 1056063889 /nfs/dbraw/zinc/06/38/89/1056063889.db2.gz PQQRBWPEJVPGEF-UHFFFAOYSA-N 1 2 377.891 3.529 20 10 GHCDLO C[C@]1(CO)CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001323451310 1056971961 /nfs/dbraw/zinc/97/19/61/1056971961.db2.gz FNIOHDCXGXXBBQ-AWEZNQCLSA-N 1 2 393.119 3.512 20 10 GHCDLO C[C@]1(CO)CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001323451310 1056971963 /nfs/dbraw/zinc/97/19/63/1056971963.db2.gz FNIOHDCXGXXBBQ-AWEZNQCLSA-N 1 2 393.119 3.512 20 10 GHCDLO C[C@H]1COCC[N@@H+]1CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC001472972245 1057163429 /nfs/dbraw/zinc/16/34/29/1057163429.db2.gz YIKQYXPHEMKMLH-PKOBYXMFSA-N 1 2 387.549 3.542 20 10 GHCDLO C[C@H]1COCC[N@H+]1CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC001472972245 1057163432 /nfs/dbraw/zinc/16/34/32/1057163432.db2.gz YIKQYXPHEMKMLH-PKOBYXMFSA-N 1 2 387.549 3.542 20 10 GHCDLO COc1ccc(O)c([C@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2F)c1 ZINC001458172327 1063628316 /nfs/dbraw/zinc/62/83/16/1063628316.db2.gz MJLKOQDWVABINO-LBPRGKRZSA-N 1 2 379.395 3.842 20 10 GHCDLO CCOC(=O)C[N@H+](CCOc1ccc(F)cc1Cl)Cc1ccccc1O ZINC001473572488 1074023225 /nfs/dbraw/zinc/02/32/25/1074023225.db2.gz XJTKBIOGJNJSAZ-UHFFFAOYSA-N 1 2 381.831 3.629 20 10 GHCDLO CCOC(=O)C[N@@H+](CCOc1ccc(F)cc1Cl)Cc1ccccc1O ZINC001473572488 1074023233 /nfs/dbraw/zinc/02/32/33/1074023233.db2.gz XJTKBIOGJNJSAZ-UHFFFAOYSA-N 1 2 381.831 3.629 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC001474366920 1074366219 /nfs/dbraw/zinc/36/62/19/1074366219.db2.gz HMZRRYRTSAYJAB-MRXNPFEDSA-N 1 2 393.256 3.531 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC001474366920 1074366231 /nfs/dbraw/zinc/36/62/31/1074366231.db2.gz HMZRRYRTSAYJAB-MRXNPFEDSA-N 1 2 393.256 3.531 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)[C@@H]1CCCC[C@H]1O ZINC001474658548 1074503713 /nfs/dbraw/zinc/50/37/13/1074503713.db2.gz QCXQPXGETPASOH-CHWSQXEVSA-N 1 2 393.119 3.653 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@@H]1CCCC[C@H]1O ZINC001474658548 1074503715 /nfs/dbraw/zinc/50/37/15/1074503715.db2.gz QCXQPXGETPASOH-CHWSQXEVSA-N 1 2 393.119 3.653 20 10 GHCDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(C)n1-c1ccccn1 ZINC000120226019 834948855 /nfs/dbraw/zinc/94/88/55/834948855.db2.gz GFDNNSDIGFRNKD-UHFFFAOYSA-N 1 2 389.503 3.804 20 10 GHCDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])c(OC)c3O)n2)cc1 ZINC000278402127 834971465 /nfs/dbraw/zinc/97/14/65/834971465.db2.gz OHVZCNAFDUWWML-LBPRGKRZSA-N 1 2 398.419 3.772 20 10 GHCDLO C[N@H+](Cc1nnc(-c2ccccc2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000155081139 836349174 /nfs/dbraw/zinc/34/91/74/836349174.db2.gz YATHHXOFOARLGI-UHFFFAOYSA-N 1 2 380.517 3.674 20 10 GHCDLO C[N@@H+](Cc1nnc(-c2ccccc2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000155081139 836349186 /nfs/dbraw/zinc/34/91/86/836349186.db2.gz YATHHXOFOARLGI-UHFFFAOYSA-N 1 2 380.517 3.674 20 10 GHCDLO COc1cc(Cl)cc(C[NH+]2CC3(CN(CCCC(F)(F)F)C3)C2)c1O ZINC001279474656 840392971 /nfs/dbraw/zinc/39/29/71/840392971.db2.gz QSPFVJSNJPZXPR-UHFFFAOYSA-N 1 2 378.822 3.514 20 10 GHCDLO C[C@]1(NCc2c(O)cccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000706872895 841035431 /nfs/dbraw/zinc/03/54/31/841035431.db2.gz SNQQKXOHTFFJLR-IBGZPJMESA-N 1 2 375.310 3.909 20 10 GHCDLO C[C@]1(NCc2c(O)cccc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000706872895 841035441 /nfs/dbraw/zinc/03/54/41/841035441.db2.gz SNQQKXOHTFFJLR-IBGZPJMESA-N 1 2 375.310 3.909 20 10 GHCDLO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001167582901 847532219 /nfs/dbraw/zinc/53/22/19/847532219.db2.gz XEAFSFNGXVHUJL-CVEARBPZSA-N 1 2 390.483 3.911 20 10 GHCDLO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001167582901 847532224 /nfs/dbraw/zinc/53/22/24/847532224.db2.gz XEAFSFNGXVHUJL-CVEARBPZSA-N 1 2 390.483 3.911 20 10 GHCDLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)[C@]12CCCO2 ZINC000760882757 856214504 /nfs/dbraw/zinc/21/45/04/856214504.db2.gz ZTYLRSZAPHTGEE-PMKSDBMWSA-N 1 2 388.277 3.671 20 10 GHCDLO Cc1ccc(NC(=O)Cc2nc(C[N@@H+](C)Cc3ccccc3O)cs2)cc1 ZINC000173359233 864646788 /nfs/dbraw/zinc/64/67/88/864646788.db2.gz AJOVUEFTNFPFEA-UHFFFAOYSA-N 1 2 381.501 3.970 20 10 GHCDLO Cc1ccc(NC(=O)Cc2nc(C[N@H+](C)Cc3ccccc3O)cs2)cc1 ZINC000173359233 864646790 /nfs/dbraw/zinc/64/67/90/864646790.db2.gz AJOVUEFTNFPFEA-UHFFFAOYSA-N 1 2 381.501 3.970 20 10 GHCDLO COc1cc(N2CC[NH+]([C@H](C)c3ccc(F)c(F)c3)CC2)cc(OC)c1OC ZINC000183698221 867291029 /nfs/dbraw/zinc/29/10/29/867291029.db2.gz LHFIOZJHRQTKGS-CQSZACIVSA-N 1 2 392.446 3.874 20 10 GHCDLO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Br)cc(Cl)c1O ZINC000793576814 882282806 /nfs/dbraw/zinc/28/28/06/882282806.db2.gz ZDEAIUCEBKYCGW-DRCTWCGVSA-N 1 2 394.737 3.617 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2COC(=O)N2CCCC2)c1O ZINC001194213711 871559682 /nfs/dbraw/zinc/55/96/82/871559682.db2.gz SFFJAGXULDKIOT-KRWDZBQOSA-N 1 2 394.899 3.835 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2COC(=O)N2CCCC2)c1O ZINC001194213711 871559699 /nfs/dbraw/zinc/55/96/99/871559699.db2.gz SFFJAGXULDKIOT-KRWDZBQOSA-N 1 2 394.899 3.835 20 10 GHCDLO COc1ccc([N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC2CC2)cc1 ZINC001194467569 871707052 /nfs/dbraw/zinc/70/70/52/871707052.db2.gz RRZWFOWNWLYROU-UHFFFAOYSA-N 1 2 397.431 3.818 20 10 GHCDLO COc1ccc([N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC2CC2)cc1 ZINC001194467569 871707062 /nfs/dbraw/zinc/70/70/62/871707062.db2.gz RRZWFOWNWLYROU-UHFFFAOYSA-N 1 2 397.431 3.818 20 10 GHCDLO COc1ccc(N2CCC[N@H+](Cc3nc(Cc4ccc(F)cc4)no3)CC2)cc1 ZINC000159451662 872321075 /nfs/dbraw/zinc/32/10/75/872321075.db2.gz MXESZWOLGFIAJO-UHFFFAOYSA-N 1 2 396.466 3.520 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](Cc3nc(Cc4ccc(F)cc4)no3)CC2)cc1 ZINC000159451662 872321083 /nfs/dbraw/zinc/32/10/83/872321083.db2.gz MXESZWOLGFIAJO-UHFFFAOYSA-N 1 2 396.466 3.520 20 10 GHCDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000775653662 872367701 /nfs/dbraw/zinc/36/77/01/872367701.db2.gz MBZYGIAJKCLCAK-CYBMUJFWSA-N 1 2 377.847 3.739 20 10 GHCDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000775653662 872367717 /nfs/dbraw/zinc/36/77/17/872367717.db2.gz MBZYGIAJKCLCAK-CYBMUJFWSA-N 1 2 377.847 3.739 20 10 GHCDLO O=C(C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)N1CCc2ccccc21 ZINC000775665037 872527906 /nfs/dbraw/zinc/52/79/06/872527906.db2.gz XBYSNHXRRNBABQ-UHFFFAOYSA-N 1 2 388.870 3.986 20 10 GHCDLO Cc1cc(C(=O)CN2CC[NH+](CCOC(C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000746494541 873096899 /nfs/dbraw/zinc/09/68/99/873096899.db2.gz IVLDDZNONCCWFF-UHFFFAOYSA-N 1 2 397.563 3.628 20 10 GHCDLO CO[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000769551459 874154609 /nfs/dbraw/zinc/15/46/09/874154609.db2.gz MYNZJPZZNNAFLL-WOJBJXKFSA-N 1 2 392.459 3.845 20 10 GHCDLO CO[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000769551459 874154614 /nfs/dbraw/zinc/15/46/14/874154614.db2.gz MYNZJPZZNNAFLL-WOJBJXKFSA-N 1 2 392.459 3.845 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000776176102 875693145 /nfs/dbraw/zinc/69/31/45/875693145.db2.gz YHMDVESHZKNIJE-GDBMZVCRSA-N 1 2 377.765 3.809 20 10 GHCDLO COc1ccnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1F ZINC000850537603 877007061 /nfs/dbraw/zinc/00/70/61/877007061.db2.gz SGXDQBHZGJINKU-CYBMUJFWSA-N 1 2 379.863 3.570 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000746775536 878468305 /nfs/dbraw/zinc/46/83/05/878468305.db2.gz GKWLSWBTQHTMND-UHFFFAOYSA-N 1 2 393.535 3.873 20 10 GHCDLO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000776809798 880491093 /nfs/dbraw/zinc/49/10/93/880491093.db2.gz VKLKZTAKFIJUPB-OCCSQVGLSA-N 1 2 385.302 3.501 20 10 GHCDLO COc1cc(N2CCN(c3[nH+]ccc4ccccc43)CC2)cc(OC)c1OC ZINC000858480746 883132099 /nfs/dbraw/zinc/13/20/99/883132099.db2.gz BPVVDQGDUHRMSX-UHFFFAOYSA-N 1 2 379.460 3.587 20 10 GHCDLO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc(Cl)c1O ZINC000806146868 884406396 /nfs/dbraw/zinc/40/63/96/884406396.db2.gz RKOMDKKJKPJBCP-RBUKOAKNSA-N 1 2 388.895 3.896 20 10 GHCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC001142520318 884475607 /nfs/dbraw/zinc/47/56/07/884475607.db2.gz FYAQIYLAKVTFMJ-UHFFFAOYSA-N 1 2 397.263 3.751 20 10 GHCDLO Cc1cc(CC(=O)NC[C@H](C)Cn2cc[nH+]c2)c(C)n1-c1ccc(Cl)cc1 ZINC000747400716 885506061 /nfs/dbraw/zinc/50/60/61/885506061.db2.gz LKANWOCEXJRGCZ-HNNXBMFYSA-N 1 2 384.911 3.939 20 10 GHCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1F ZINC000862217573 886214838 /nfs/dbraw/zinc/21/48/38/886214838.db2.gz JJTGMXQAFPSLRW-UHFFFAOYSA-N 1 2 391.437 3.518 20 10 GHCDLO CN(C)c1cc(F)c(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1F ZINC000862217573 886214858 /nfs/dbraw/zinc/21/48/58/886214858.db2.gz JJTGMXQAFPSLRW-UHFFFAOYSA-N 1 2 391.437 3.518 20 10 GHCDLO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000810256763 888360473 /nfs/dbraw/zinc/36/04/73/888360473.db2.gz GDFINOGXSFAOFK-IWSPIJDZSA-N 1 2 381.108 3.991 20 10 GHCDLO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(Br)cc(F)c1O ZINC000866565706 888939686 /nfs/dbraw/zinc/93/96/86/888939686.db2.gz PPPVYMQZHZNDIO-ZETCQYMHSA-N 1 2 378.192 3.816 20 10 GHCDLO CC[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(Cl)c1O ZINC000287527682 913389315 /nfs/dbraw/zinc/38/93/15/913389315.db2.gz DMADNGDRGXBVLP-SFHVURJKSA-N 1 2 376.884 3.754 20 10 GHCDLO CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc(Cl)c1O ZINC000287811240 913547934 /nfs/dbraw/zinc/54/79/34/913547934.db2.gz USKSSELXUUCKHE-SJKOYZFVSA-N 1 2 382.913 3.756 20 10 GHCDLO Cc1cc(C[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)ccc1N(C)C ZINC000815053292 893372470 /nfs/dbraw/zinc/37/24/70/893372470.db2.gz OTXKTAQCNDWAHW-UHFFFAOYSA-N 1 2 383.517 3.827 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000815148971 893521133 /nfs/dbraw/zinc/52/11/33/893521133.db2.gz SNFFNCWIHVAMKZ-UHFFFAOYSA-N 1 2 375.188 3.901 20 10 GHCDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)Cc1ccc(F)cc1Cl ZINC000774880075 913904612 /nfs/dbraw/zinc/90/46/12/913904612.db2.gz FLIWYCJVIDRQTG-UHFFFAOYSA-N 1 2 398.818 3.750 20 10 GHCDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)Cc1ccc(F)cc1Cl ZINC000774880075 913904620 /nfs/dbraw/zinc/90/46/20/913904620.db2.gz FLIWYCJVIDRQTG-UHFFFAOYSA-N 1 2 398.818 3.750 20 10 GHCDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816499087 894878392 /nfs/dbraw/zinc/87/83/92/894878392.db2.gz DVIDIJRXCVKRRM-AWEZNQCLSA-N 1 2 381.810 3.720 20 10 GHCDLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816499087 894878398 /nfs/dbraw/zinc/87/83/98/894878398.db2.gz DVIDIJRXCVKRRM-AWEZNQCLSA-N 1 2 381.810 3.720 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000127973430 895267393 /nfs/dbraw/zinc/26/73/93/895267393.db2.gz QOQYSAPZFSTISB-QGZVFWFLSA-N 1 2 378.476 3.937 20 10 GHCDLO Cc1cc(Br)c(O)c(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000823538921 899078812 /nfs/dbraw/zinc/07/88/12/899078812.db2.gz TXTITEVSVGNWKF-UHFFFAOYSA-N 1 2 391.309 3.907 20 10 GHCDLO COc1ccccc1O[C@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299728 901651712 /nfs/dbraw/zinc/65/17/12/901651712.db2.gz HMNMGDGBHYQFPB-ZDUSSCGKSA-N 1 2 396.256 3.956 20 10 GHCDLO COc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299728 901651717 /nfs/dbraw/zinc/65/17/17/901651717.db2.gz HMNMGDGBHYQFPB-ZDUSSCGKSA-N 1 2 396.256 3.956 20 10 GHCDLO COc1c(O)c(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)ccc1[N+](=O)[O-] ZINC000775031192 914635326 /nfs/dbraw/zinc/63/53/26/914635326.db2.gz ZFEMQXSGXGOCQH-LLVKDONJSA-N 1 2 385.203 3.839 20 10 GHCDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133647276 903403848 /nfs/dbraw/zinc/40/38/48/903403848.db2.gz RSVBYNOWTAOXNZ-GOSISDBHSA-N 1 2 392.503 3.690 20 10 GHCDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133647276 903403856 /nfs/dbraw/zinc/40/38/56/903403856.db2.gz RSVBYNOWTAOXNZ-GOSISDBHSA-N 1 2 392.503 3.690 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC001171728714 904955485 /nfs/dbraw/zinc/95/54/85/904955485.db2.gz BGUFTQQHOVMGJH-UHFFFAOYSA-N 1 2 399.926 3.712 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC001171728714 904955498 /nfs/dbraw/zinc/95/54/98/904955498.db2.gz BGUFTQQHOVMGJH-UHFFFAOYSA-N 1 2 399.926 3.712 20 10 GHCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172815984 905847195 /nfs/dbraw/zinc/84/71/95/905847195.db2.gz AKNHVDIONVWNOM-UUKMXZOPSA-N 1 2 383.488 3.573 20 10 GHCDLO O=C(NCCc1cccs1)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179899209 906628152 /nfs/dbraw/zinc/62/81/52/906628152.db2.gz DHJBXBXTDNDITR-UHFFFAOYSA-N 1 2 378.925 3.678 20 10 GHCDLO COc1cccc(C[N@@H+]2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1O ZINC000779611522 907885231 /nfs/dbraw/zinc/88/52/31/907885231.db2.gz KHQKGFPHUHWNBZ-FQEVSTJZSA-N 1 2 393.487 3.777 20 10 GHCDLO COc1cccc(C[N@H+]2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1O ZINC000779611522 907885243 /nfs/dbraw/zinc/88/52/43/907885243.db2.gz KHQKGFPHUHWNBZ-FQEVSTJZSA-N 1 2 393.487 3.777 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001179158974 909405534 /nfs/dbraw/zinc/40/55/34/909405534.db2.gz FIPCSEPRTIDYBP-INIZCTEOSA-N 1 2 385.266 3.833 20 10 GHCDLO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl ZINC001179689322 909647956 /nfs/dbraw/zinc/64/79/56/909647956.db2.gz KWJNFIWTXJAHLH-YCOJEUHLSA-N 1 2 395.286 3.837 20 10 GHCDLO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)cc(OC)c1 ZINC001179887697 909778802 /nfs/dbraw/zinc/77/88/02/909778802.db2.gz NQBSTPDXGNDZDV-AWEZNQCLSA-N 1 2 378.419 3.764 20 10 GHCDLO COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)cc(OC)c1 ZINC001179887697 909778809 /nfs/dbraw/zinc/77/88/09/909778809.db2.gz NQBSTPDXGNDZDV-AWEZNQCLSA-N 1 2 378.419 3.764 20 10 GHCDLO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(N(C)C)cc3C(F)(F)F)CC2)n1 ZINC001180305167 910059620 /nfs/dbraw/zinc/05/96/20/910059620.db2.gz IONPGGLQJGOUAO-UHFFFAOYSA-N 1 2 393.457 3.500 20 10 GHCDLO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246563139 910375799 /nfs/dbraw/zinc/37/57/99/910375799.db2.gz LSGQNIJVYYAVAT-IEBWSBKVSA-N 1 2 391.874 3.772 20 10 GHCDLO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246563139 910375808 /nfs/dbraw/zinc/37/58/08/910375808.db2.gz LSGQNIJVYYAVAT-IEBWSBKVSA-N 1 2 391.874 3.772 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(Br)cc(Br)c1[O-] ZINC000817950090 911187472 /nfs/dbraw/zinc/18/74/72/911187472.db2.gz RREYQOFUFFJMSW-KOLCDFICSA-N 1 2 392.135 3.710 20 10 GHCDLO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3Br)C2)c1O ZINC000092592377 911637895 /nfs/dbraw/zinc/63/78/95/911637895.db2.gz ZVTUTPUFAPCCFO-QGZVFWFLSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3Br)C2)c1O ZINC000092592377 911637899 /nfs/dbraw/zinc/63/78/99/911637899.db2.gz ZVTUTPUFAPCCFO-QGZVFWFLSA-N 1 2 378.266 3.737 20 10 GHCDLO Cc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1 ZINC000800540846 920259043 /nfs/dbraw/zinc/25/90/43/920259043.db2.gz OAXZGOZVPDGVSG-IBGZPJMESA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1 ZINC000800540846 920259057 /nfs/dbraw/zinc/25/90/57/920259057.db2.gz OAXZGOZVPDGVSG-IBGZPJMESA-N 1 2 383.492 3.890 20 10 GHCDLO COc1cc(Br)cc(C[NH2+]C2(c3noc(C)n3)CCCCC2)c1O ZINC000725851495 926467249 /nfs/dbraw/zinc/46/72/49/926467249.db2.gz SHAUTTUXJWMHQO-UHFFFAOYSA-N 1 2 396.285 3.804 20 10 GHCDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000750047705 927403940 /nfs/dbraw/zinc/40/39/40/927403940.db2.gz UZODOAUCPRZKIO-UHFFFAOYSA-N 1 2 391.851 3.626 20 10 GHCDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000750047705 927403945 /nfs/dbraw/zinc/40/39/45/927403945.db2.gz UZODOAUCPRZKIO-UHFFFAOYSA-N 1 2 391.851 3.626 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3C)CC2)cc1F ZINC000753857504 929565245 /nfs/dbraw/zinc/56/52/45/929565245.db2.gz MQVNOGBYFAOKLC-ROUUACIJSA-N 1 2 399.510 3.531 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)c1O ZINC000781342847 930803631 /nfs/dbraw/zinc/80/36/31/930803631.db2.gz FJULHWRBMGIISV-KRWDZBQOSA-N 1 2 385.357 3.659 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)c1O ZINC000781342847 930803638 /nfs/dbraw/zinc/80/36/38/930803638.db2.gz FJULHWRBMGIISV-KRWDZBQOSA-N 1 2 385.357 3.659 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783229336 931468325 /nfs/dbraw/zinc/46/83/25/931468325.db2.gz JAJWUBRPKYVOTR-UHFFFAOYSA-N 1 2 383.540 3.660 20 10 GHCDLO Cc1cccc(CNc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c[nH+]2)c1O ZINC000798272212 932586743 /nfs/dbraw/zinc/58/67/43/932586743.db2.gz HIVUBDZQVGVZHB-UHFFFAOYSA-N 1 2 398.507 3.765 20 10 GHCDLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(N(C)C)cc1 ZINC000799975816 933197737 /nfs/dbraw/zinc/19/77/37/933197737.db2.gz QUWUXJMMYBOAJR-PKOBYXMFSA-N 1 2 395.551 3.936 20 10 GHCDLO COc1cc(C)cc(C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1O ZINC000929068357 933225855 /nfs/dbraw/zinc/22/58/55/933225855.db2.gz YUQAFSLUKDTICL-UHFFFAOYSA-N 1 2 377.488 3.707 20 10 GHCDLO COc1cc(C)cc(C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1O ZINC000929068357 933225859 /nfs/dbraw/zinc/22/58/59/933225859.db2.gz YUQAFSLUKDTICL-UHFFFAOYSA-N 1 2 377.488 3.707 20 10 GHCDLO Cn1cc(-c2ccnc(C3CC[NH+](Cc4cccc(Cl)c4O)CC3)n2)cn1 ZINC000828074859 935574019 /nfs/dbraw/zinc/57/40/19/935574019.db2.gz XTJFLTPQXBDPJJ-UHFFFAOYSA-N 1 2 383.883 3.616 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c1O ZINC001204340663 1032783851 /nfs/dbraw/zinc/78/38/51/1032783851.db2.gz XTXHMMBHXYOUAN-GFCCVEGCSA-N 1 2 382.298 3.887 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)c1O ZINC001204340663 1032783864 /nfs/dbraw/zinc/78/38/64/1032783864.db2.gz XTXHMMBHXYOUAN-GFCCVEGCSA-N 1 2 382.298 3.887 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc1 ZINC001204438728 1032876764 /nfs/dbraw/zinc/87/67/64/1032876764.db2.gz JHLBBFUZVGWFQA-UHFFFAOYSA-N 1 2 378.875 3.827 20 10 GHCDLO O=C(NC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC001204608242 1032992337 /nfs/dbraw/zinc/99/23/37/1032992337.db2.gz FSVGJNIUBZIDTM-OAHLLOKOSA-N 1 2 376.859 3.969 20 10 GHCDLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC001204608242 1032992344 /nfs/dbraw/zinc/99/23/44/1032992344.db2.gz FSVGJNIUBZIDTM-OAHLLOKOSA-N 1 2 376.859 3.969 20 10 GHCDLO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)cc(Cl)c1O ZINC000834913705 1021676394 /nfs/dbraw/zinc/67/63/94/1021676394.db2.gz IWMDULVLFCQJDE-DRCTWCGVSA-N 1 2 387.705 3.612 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1cc(Br)cc(F)c1O ZINC000834915444 1021678423 /nfs/dbraw/zinc/67/84/23/1021678423.db2.gz YRFKBQHCSUYORW-WBIUFABUSA-N 1 2 398.276 3.598 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)cc1 ZINC001140542177 1021942577 /nfs/dbraw/zinc/94/25/77/1021942577.db2.gz GGGLHXRPWSVFTM-UHFFFAOYSA-N 1 2 378.875 3.827 20 10 GHCDLO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Br)cc(F)c1O ZINC000756380134 1023619701 /nfs/dbraw/zinc/61/97/01/1023619701.db2.gz STEAOTQJVSVAKT-LLVKDONJSA-N 1 2 395.272 3.846 20 10 GHCDLO Cc1ccc([C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2O)N2CCOCC2)cc1 ZINC000756434169 1023646912 /nfs/dbraw/zinc/64/69/12/1023646912.db2.gz IYDJTVIVEHWNSR-QRWLVFNGSA-N 1 2 376.447 3.703 20 10 GHCDLO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(Br)c(F)cc1O ZINC000756528732 1023700111 /nfs/dbraw/zinc/70/01/11/1023700111.db2.gz WCYISOKPGBLQGL-VIFPVBQESA-N 1 2 399.226 3.971 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)c(F)cc1O ZINC000756660326 1023760283 /nfs/dbraw/zinc/76/02/83/1023760283.db2.gz VUOJKWJAOZEXCB-AAEUAGOBSA-N 1 2 399.304 3.736 20 10 GHCDLO C[C@H]([NH2+][C@H](CO)CC1CC1)c1cc(Br)cc(Br)c1O ZINC000756770701 1023807043 /nfs/dbraw/zinc/80/70/43/1023807043.db2.gz ZKMICIGAJAHJTK-KWQFWETISA-N 1 2 393.119 3.729 20 10 GHCDLO Oc1c(F)cccc1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC001138127826 1024175607 /nfs/dbraw/zinc/17/56/07/1024175607.db2.gz RAHBHQYDWKZVQB-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001141374225 1024767757 /nfs/dbraw/zinc/76/77/57/1024767757.db2.gz CBKACUSQSRVBPL-LBPRGKRZSA-N 1 2 378.669 3.901 20 10 GHCDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C[C@H]2CCCC[C@@H]12 ZINC001139124712 1025937724 /nfs/dbraw/zinc/93/77/24/1025937724.db2.gz DIASMSCMKDDLJM-NXHRZFHOSA-N 1 2 399.487 3.608 20 10 GHCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C[C@H]2CCCC[C@@H]12 ZINC001139124712 1025937731 /nfs/dbraw/zinc/93/77/31/1025937731.db2.gz DIASMSCMKDDLJM-NXHRZFHOSA-N 1 2 399.487 3.608 20 10 GHCDLO CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001139123809 1025937831 /nfs/dbraw/zinc/93/78/31/1025937831.db2.gz KKQQZSQQBCAZQO-OAQYLSRUSA-N 1 2 382.504 3.804 20 10 GHCDLO CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001139123809 1025937841 /nfs/dbraw/zinc/93/78/41/1025937841.db2.gz KKQQZSQQBCAZQO-OAQYLSRUSA-N 1 2 382.504 3.804 20 10 GHCDLO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2c(O)ccc3c(C)cc(=O)oc32)o1 ZINC001139125403 1025937965 /nfs/dbraw/zinc/93/79/65/1025937965.db2.gz UANFVLBVIZUAQY-VQTJNVASSA-N 1 2 394.471 3.557 20 10 GHCDLO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2c(O)ccc3c(C)cc(=O)oc32)o1 ZINC001139125403 1025937973 /nfs/dbraw/zinc/93/79/73/1025937973.db2.gz UANFVLBVIZUAQY-VQTJNVASSA-N 1 2 394.471 3.557 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000839916265 1026345116 /nfs/dbraw/zinc/34/51/16/1026345116.db2.gz QKUKGCMMVHNDBR-SFHVURJKSA-N 1 2 376.504 3.667 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(Cl)c(OC)c3)CC2)c(OC)c1 ZINC001139615738 1026479084 /nfs/dbraw/zinc/47/90/84/1026479084.db2.gz MPLHFUQVSOJSKK-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)cc(F)c1O ZINC000841763042 1028920863 /nfs/dbraw/zinc/92/08/63/1028920863.db2.gz UIYHSOKGXVXWHD-NSHDSACASA-N 1 2 390.293 3.512 20 10 GHCDLO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)[C@@H]1SC ZINC000842925133 1029691151 /nfs/dbraw/zinc/69/11/51/1029691151.db2.gz VNKGEZMTHIDWIN-QFKGGZDISA-N 1 2 378.307 3.853 20 10 GHCDLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)[C@@H]1SC ZINC000842925132 1029691356 /nfs/dbraw/zinc/69/13/56/1029691356.db2.gz VNKGEZMTHIDWIN-QBVOZJPGSA-N 1 2 378.307 3.853 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Br)cc(Br)c1O ZINC000842927228 1029693006 /nfs/dbraw/zinc/69/30/06/1029693006.db2.gz DFFFXBWIELZHQF-WEDXCCLWSA-N 1 2 379.092 3.745 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967940 1030981600 /nfs/dbraw/zinc/98/16/00/1030981600.db2.gz VYAJDNAMRDZKQK-FQEVSTJZSA-N 1 2 380.891 3.942 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967940 1030981605 /nfs/dbraw/zinc/98/16/05/1030981605.db2.gz VYAJDNAMRDZKQK-FQEVSTJZSA-N 1 2 380.891 3.942 20 10 GHCDLO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)c(F)cc1O ZINC001276517652 1034212072 /nfs/dbraw/zinc/21/20/72/1034212072.db2.gz GLCPSERNYLDCEN-HZPDHXFCSA-N 1 2 399.304 3.659 20 10 GHCDLO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c(F)cc1O ZINC001276517652 1034212087 /nfs/dbraw/zinc/21/20/87/1034212087.db2.gz GLCPSERNYLDCEN-HZPDHXFCSA-N 1 2 399.304 3.659 20 10 GHCDLO O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001159033154 1034392538 /nfs/dbraw/zinc/39/25/38/1034392538.db2.gz CHOYUPRKLBAAGD-SFHVURJKSA-N 1 2 376.859 3.856 20 10 GHCDLO O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001159033154 1034392547 /nfs/dbraw/zinc/39/25/47/1034392547.db2.gz CHOYUPRKLBAAGD-SFHVURJKSA-N 1 2 376.859 3.856 20 10 GHCDLO COC(=O)[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)CC1CCCC1 ZINC001207748748 1034555974 /nfs/dbraw/zinc/55/59/74/1034555974.db2.gz OGRVKSXIIPCHEJ-ZDUSSCGKSA-N 1 2 388.277 3.753 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+]2CCc3cc(F)c(F)cc3C2)c1O ZINC001231555932 1034708258 /nfs/dbraw/zinc/70/82/58/1034708258.db2.gz UQKXKKUKNLHIIF-UHFFFAOYSA-N 1 2 384.220 4.000 20 10 GHCDLO COc1ccc(Br)c(C[N@H+]2CCc3cc(F)c(F)cc3C2)c1O ZINC001231555932 1034708265 /nfs/dbraw/zinc/70/82/65/1034708265.db2.gz UQKXKKUKNLHIIF-UHFFFAOYSA-N 1 2 384.220 4.000 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c1 ZINC001277540386 1034754575 /nfs/dbraw/zinc/75/45/75/1034754575.db2.gz LADJHPBLDCABNP-IBGZPJMESA-N 1 2 395.341 3.686 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c1 ZINC001277540386 1034754582 /nfs/dbraw/zinc/75/45/82/1034754582.db2.gz LADJHPBLDCABNP-IBGZPJMESA-N 1 2 395.341 3.686 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)Cc2c1cnn2CC1CC1 ZINC001231910263 1034984179 /nfs/dbraw/zinc/98/41/79/1034984179.db2.gz MAARKTYPIGNTMR-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)Cc2c1cnn2CC1CC1 ZINC001231910263 1034984187 /nfs/dbraw/zinc/98/41/87/1034984187.db2.gz MAARKTYPIGNTMR-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001231910730 1034985284 /nfs/dbraw/zinc/98/52/84/1034985284.db2.gz VBITYICEEJVHDJ-DFQSSKMNSA-N 1 2 388.895 3.779 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001231910730 1034985287 /nfs/dbraw/zinc/98/52/87/1034985287.db2.gz VBITYICEEJVHDJ-DFQSSKMNSA-N 1 2 388.895 3.779 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001231911309 1034985467 /nfs/dbraw/zinc/98/54/67/1034985467.db2.gz JFRRCMRPVGDKEJ-UHFFFAOYSA-N 1 2 387.867 3.958 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001231911309 1034985474 /nfs/dbraw/zinc/98/54/74/1034985474.db2.gz JFRRCMRPVGDKEJ-UHFFFAOYSA-N 1 2 387.867 3.958 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001231911647 1034986733 /nfs/dbraw/zinc/98/67/33/1034986733.db2.gz OCFQWBNCEFEBHH-LAUBAEHRSA-N 1 2 388.895 3.891 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001231911647 1034986738 /nfs/dbraw/zinc/98/67/38/1034986738.db2.gz OCFQWBNCEFEBHH-LAUBAEHRSA-N 1 2 388.895 3.891 20 10 GHCDLO O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231912139 1034987139 /nfs/dbraw/zinc/98/71/39/1034987139.db2.gz WWYDBCOWRDPZKU-MRXNPFEDSA-N 1 2 376.928 3.954 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@@](C)(F)C2)cc1I ZINC001248461967 1035887073 /nfs/dbraw/zinc/88/70/73/1035887073.db2.gz IQCUWCSRFNPPQG-OAHLLOKOSA-N 1 2 393.240 3.720 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCCC[C@@](C)(F)C2)cc1I ZINC001248461967 1035887099 /nfs/dbraw/zinc/88/70/99/1035887099.db2.gz IQCUWCSRFNPPQG-OAHLLOKOSA-N 1 2 393.240 3.720 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c(O)c1I ZINC001248481821 1035908728 /nfs/dbraw/zinc/90/87/28/1035908728.db2.gz HKXCRCZSJNBEKN-OAHLLOKOSA-N 1 2 393.240 3.720 20 10 GHCDLO COc1ccc(C[N@H+]2CCCC[C@@](C)(F)C2)c(O)c1I ZINC001248481821 1035908730 /nfs/dbraw/zinc/90/87/30/1035908730.db2.gz HKXCRCZSJNBEKN-OAHLLOKOSA-N 1 2 393.240 3.720 20 10 GHCDLO Fc1ccnc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001232498137 1038271865 /nfs/dbraw/zinc/27/18/65/1038271865.db2.gz QXDDVGNKGZNSOB-UHFFFAOYSA-N 1 2 378.451 3.517 20 10 GHCDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(Br)c1 ZINC001232726233 1038519965 /nfs/dbraw/zinc/51/99/65/1038519965.db2.gz CAOVEXSRMAVYAM-UHFFFAOYSA-N 1 2 391.309 3.934 20 10 GHCDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(Br)c1 ZINC001232726233 1038519982 /nfs/dbraw/zinc/51/99/82/1038519982.db2.gz CAOVEXSRMAVYAM-UHFFFAOYSA-N 1 2 391.309 3.934 20 10 GHCDLO Oc1cc(I)ccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC001232980781 1038749177 /nfs/dbraw/zinc/74/91/77/1038749177.db2.gz WEUXWEWXSGSDMO-UHFFFAOYSA-N 1 2 387.261 3.532 20 10 GHCDLO Oc1cc(I)ccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001232980781 1038749182 /nfs/dbraw/zinc/74/91/82/1038749182.db2.gz WEUXWEWXSGSDMO-UHFFFAOYSA-N 1 2 387.261 3.532 20 10 GHCDLO C[N@@H+]1CCN(Cc2c(O)cc(Br)cc2F)[C@H](c2ccccc2)C1 ZINC001233027238 1038779106 /nfs/dbraw/zinc/77/91/06/1038779106.db2.gz OJADMHGSUZIQDX-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2c(O)cc(Br)cc2F)[C@H](c2ccccc2)C1 ZINC001233027238 1038779115 /nfs/dbraw/zinc/77/91/15/1038779115.db2.gz OJADMHGSUZIQDX-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C[C@@H]1C ZINC001233033439 1038788430 /nfs/dbraw/zinc/78/84/30/1038788430.db2.gz OBCCAEFYLPIDNN-NWDGAFQWSA-N 1 2 388.277 3.705 20 10 GHCDLO CCOC(=O)C[C@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C[C@@H]1C ZINC001233033439 1038788441 /nfs/dbraw/zinc/78/84/41/1038788441.db2.gz OBCCAEFYLPIDNN-NWDGAFQWSA-N 1 2 388.277 3.705 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)c(OC)c1 ZINC001233419195 1039280066 /nfs/dbraw/zinc/28/00/66/1039280066.db2.gz MYXLJMWBEPWEAV-UHFFFAOYSA-N 1 2 396.409 3.750 20 10 GHCDLO Oc1c(F)cc(Br)cc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001235058437 1040547963 /nfs/dbraw/zinc/54/79/63/1040547963.db2.gz MEQAIUUXNIRVSI-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235850115 1041374731 /nfs/dbraw/zinc/37/47/31/1041374731.db2.gz RFPHYISTBFRFJY-INIZCTEOSA-N 1 2 395.728 3.825 20 10 GHCDLO COc1cc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(O)cc1Br ZINC001236752693 1041873255 /nfs/dbraw/zinc/87/32/55/1041873255.db2.gz FFNIPXZWXOLDBO-QGZVFWFLSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(O)cc1Br ZINC001236752693 1041873258 /nfs/dbraw/zinc/87/32/58/1041873258.db2.gz FFNIPXZWXOLDBO-QGZVFWFLSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236795039 1041899950 /nfs/dbraw/zinc/89/99/50/1041899950.db2.gz ICTLSQZYVJLXOU-BETUJISGSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236795039 1041899954 /nfs/dbraw/zinc/89/99/54/1041899954.db2.gz ICTLSQZYVJLXOU-BETUJISGSA-N 1 2 382.888 3.638 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237080504 1042026557 /nfs/dbraw/zinc/02/65/57/1042026557.db2.gz DLPBGBNGQNUZFZ-RYUDHWBXSA-N 1 2 381.259 3.639 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237080504 1042026565 /nfs/dbraw/zinc/02/65/65/1042026565.db2.gz DLPBGBNGQNUZFZ-RYUDHWBXSA-N 1 2 381.259 3.639 20 10 GHCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237084590 1042028604 /nfs/dbraw/zinc/02/86/04/1042028604.db2.gz LMXAIDPDTFXZFN-LBPRGKRZSA-N 1 2 389.323 3.595 20 10 GHCDLO C[N@H+](CCc1ccc(F)cc1)Cc1cccc(I)c1O ZINC001237779484 1042365800 /nfs/dbraw/zinc/36/58/00/1042365800.db2.gz HBYPJTGGTKMFRM-UHFFFAOYSA-N 1 2 385.220 3.810 20 10 GHCDLO C[N@@H+](CCc1ccc(F)cc1)Cc1cccc(I)c1O ZINC001237779484 1042365804 /nfs/dbraw/zinc/36/58/04/1042365804.db2.gz HBYPJTGGTKMFRM-UHFFFAOYSA-N 1 2 385.220 3.810 20 10 GHCDLO Oc1c(I)cccc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC001237784605 1042368251 /nfs/dbraw/zinc/36/82/51/1042368251.db2.gz UZPPCWXUGDXVGZ-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1c(I)cccc1C[N@H+]1CCc2c(F)cccc2C1 ZINC001237784605 1042368256 /nfs/dbraw/zinc/36/82/56/1042368256.db2.gz UZPPCWXUGDXVGZ-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)N1 ZINC001237800257 1042376314 /nfs/dbraw/zinc/37/63/14/1042376314.db2.gz MRNYTARFBBTHPE-QGZVFWFLSA-N 1 2 388.870 3.823 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237938250 1042429013 /nfs/dbraw/zinc/42/90/13/1042429013.db2.gz ZXXYQPINEBQNTO-QMMMGPOBSA-N 1 2 379.741 3.966 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237938250 1042429014 /nfs/dbraw/zinc/42/90/14/1042429014.db2.gz ZXXYQPINEBQNTO-QMMMGPOBSA-N 1 2 379.741 3.966 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1)c1ccc(F)cc1 ZINC001237941468 1042430708 /nfs/dbraw/zinc/43/07/08/1042430708.db2.gz WTZNXRNAQZYSJM-UHFFFAOYSA-N 1 2 380.822 3.718 20 10 GHCDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(C(F)(F)F)c1O ZINC001279503906 1047826954 /nfs/dbraw/zinc/82/69/54/1047826954.db2.gz AZALRAKRZZLIGW-OKILXGFUSA-N 1 2 383.439 3.635 20 10 GHCDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(C(F)(F)F)c1O ZINC001279503906 1047826962 /nfs/dbraw/zinc/82/69/62/1047826962.db2.gz AZALRAKRZZLIGW-OKILXGFUSA-N 1 2 383.439 3.635 20 10 GHCDLO CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3cc(Cl)c(Cl)cc3O)[C@@H]2C1 ZINC001279665531 1047906021 /nfs/dbraw/zinc/90/60/21/1047906021.db2.gz QDNPRLRAJLIWRE-SUMWQHHRSA-N 1 2 395.334 3.622 20 10 GHCDLO CCn1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3cc(Cl)c(Cl)cc3O)[C@@H]2C1 ZINC001279665531 1047906024 /nfs/dbraw/zinc/90/60/24/1047906024.db2.gz QDNPRLRAJLIWRE-SUMWQHHRSA-N 1 2 395.334 3.622 20 10 GHCDLO C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@@H+]1CCC[C@H](C)CC1 ZINC001307439907 1049277512 /nfs/dbraw/zinc/27/75/12/1049277512.db2.gz CHOMKCOLHLCABM-JKSUJKDBSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@H+]1CCC[C@H](C)CC1 ZINC001307439907 1049277521 /nfs/dbraw/zinc/27/75/21/1049277521.db2.gz CHOMKCOLHLCABM-JKSUJKDBSA-N 1 2 390.483 3.911 20 10 GHCDLO C[N@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCS(=O)CC1 ZINC001307532570 1049377983 /nfs/dbraw/zinc/37/79/83/1049377983.db2.gz BCZUGKALWOGBNL-UHFFFAOYSA-N 1 2 384.505 3.883 20 10 GHCDLO C[N@@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCS(=O)CC1 ZINC001307532570 1049377993 /nfs/dbraw/zinc/37/79/93/1049377993.db2.gz BCZUGKALWOGBNL-UHFFFAOYSA-N 1 2 384.505 3.883 20 10 GHCDLO C[C@H]1COCC[N@@H+]1CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC001472972242 1057163485 /nfs/dbraw/zinc/16/34/85/1057163485.db2.gz YIKQYXPHEMKMLH-HKUYNNGSSA-N 1 2 387.549 3.542 20 10 GHCDLO C[C@H]1COCC[N@H+]1CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC001472972242 1057163486 /nfs/dbraw/zinc/16/34/86/1057163486.db2.gz YIKQYXPHEMKMLH-HKUYNNGSSA-N 1 2 387.549 3.542 20 10 GHCDLO CCNc1cc(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc[nH+]1 ZINC001470969389 1072857255 /nfs/dbraw/zinc/85/72/55/1072857255.db2.gz UWUKMGZISWQKNR-UHFFFAOYSA-N 1 2 391.519 3.963 20 10 GHCDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)ccc1N1CCCCC1 ZINC001473245399 1073885890 /nfs/dbraw/zinc/88/58/90/1073885890.db2.gz QAEXVYSFWZAFFM-UHFFFAOYSA-N 1 2 393.531 3.649 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000782636756 836676823 /nfs/dbraw/zinc/67/68/23/836676823.db2.gz YKUXIUCEOJSNDM-OXJNMPFZSA-N 1 2 392.421 3.610 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000782636756 836676826 /nfs/dbraw/zinc/67/68/26/836676826.db2.gz YKUXIUCEOJSNDM-OXJNMPFZSA-N 1 2 392.421 3.610 20 10 GHCDLO CSC1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CCOCC1 ZINC000756734274 841850166 /nfs/dbraw/zinc/85/01/66/841850166.db2.gz VMILDMIZDCOMHT-SNVBAGLBSA-N 1 2 378.307 3.857 20 10 GHCDLO C[C@H]([NH2+]Cc1nccn1C)c1cc(Br)cc(Br)c1O ZINC000273557674 847370250 /nfs/dbraw/zinc/37/02/50/847370250.db2.gz HDWFZDGEOFPKCU-QMMMGPOBSA-N 1 2 389.091 3.502 20 10 GHCDLO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000164494793 854041786 /nfs/dbraw/zinc/04/17/86/854041786.db2.gz LSGQNIJVYYAVAT-MJGOQNOKSA-N 1 2 391.874 3.772 20 10 GHCDLO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000164494793 854041791 /nfs/dbraw/zinc/04/17/91/854041791.db2.gz LSGQNIJVYYAVAT-MJGOQNOKSA-N 1 2 391.874 3.772 20 10 GHCDLO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(Br)cc(F)c3O)C2)n1 ZINC000922863124 860687993 /nfs/dbraw/zinc/68/79/93/860687993.db2.gz YVFAKUSWWAVDHV-BXKDBHETSA-N 1 2 384.249 3.665 20 10 GHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)Nc1ccnn1C1CCCC1 ZINC000070975185 866250973 /nfs/dbraw/zinc/25/09/73/866250973.db2.gz ZMRNCKPZCTZZJO-UHFFFAOYSA-N 1 2 394.475 3.938 20 10 GHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)Nc1ccnn1C1CCCC1 ZINC000070975185 866250980 /nfs/dbraw/zinc/25/09/80/866250980.db2.gz ZMRNCKPZCTZZJO-UHFFFAOYSA-N 1 2 394.475 3.938 20 10 GHCDLO Cc1cccn2cc(CC(=O)N(Cc3ccco3)Cc3ccccc3O)[nH+]c12 ZINC000743428945 868178149 /nfs/dbraw/zinc/17/81/49/868178149.db2.gz SNJFAQLYCLRDLM-UHFFFAOYSA-N 1 2 375.428 3.713 20 10 GHCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000745785968 869810312 /nfs/dbraw/zinc/81/03/12/869810312.db2.gz OUMOHMKZNVGDNA-UHFFFAOYSA-N 1 2 380.536 3.688 20 10 GHCDLO Cc1cc(Br)cc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c1O ZINC000775648940 872308249 /nfs/dbraw/zinc/30/82/49/872308249.db2.gz JHKOVZZMMXELTC-UHFFFAOYSA-N 1 2 383.330 3.544 20 10 GHCDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000768151856 873134426 /nfs/dbraw/zinc/13/44/26/873134426.db2.gz PPJOTBOUUDSBHY-UHFFFAOYSA-N 1 2 396.491 3.964 20 10 GHCDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000768151856 873134440 /nfs/dbraw/zinc/13/44/40/873134440.db2.gz PPJOTBOUUDSBHY-UHFFFAOYSA-N 1 2 396.491 3.964 20 10 GHCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(Cl)c(Cl)c3)C1)[C@@H](O)CO2 ZINC000768452746 873313060 /nfs/dbraw/zinc/31/30/60/873313060.db2.gz SEEKNOMGYROWGT-PKOBYXMFSA-N 1 2 396.270 3.698 20 10 GHCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(Cl)c(Cl)c3)C1)[C@@H](O)CO2 ZINC000768452746 873313072 /nfs/dbraw/zinc/31/30/72/873313072.db2.gz SEEKNOMGYROWGT-PKOBYXMFSA-N 1 2 396.270 3.698 20 10 GHCDLO O=S(=O)(NCc1c[nH+]cn1CCF)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197197004 873645359 /nfs/dbraw/zinc/64/53/59/873645359.db2.gz PZDCAGNBDOIESW-GHVJWSGMSA-N 1 2 387.440 3.747 20 10 GHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000105177268 875108542 /nfs/dbraw/zinc/10/85/42/875108542.db2.gz XYQKMJXPHQZZSO-UHFFFAOYSA-N 1 2 393.447 3.509 20 10 GHCDLO COC(=O)Nc1cccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC001202357384 876159652 /nfs/dbraw/zinc/15/96/52/876159652.db2.gz SPODSJKRGVRHKT-UHFFFAOYSA-N 1 2 383.217 3.762 20 10 GHCDLO COCC[N@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCOC1 ZINC000786190591 876510209 /nfs/dbraw/zinc/51/02/09/876510209.db2.gz NHSOZWAKJUBEPH-FQEVSTJZSA-N 1 2 382.464 3.778 20 10 GHCDLO COCC[N@@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCOC1 ZINC000786190591 876510223 /nfs/dbraw/zinc/51/02/23/876510223.db2.gz NHSOZWAKJUBEPH-FQEVSTJZSA-N 1 2 382.464 3.778 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000007215884 876591924 /nfs/dbraw/zinc/59/19/24/876591924.db2.gz CMGMLFLLQBHQKY-IBGZPJMESA-N 1 2 394.544 3.816 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000007215884 876591932 /nfs/dbraw/zinc/59/19/32/876591932.db2.gz CMGMLFLLQBHQKY-IBGZPJMESA-N 1 2 394.544 3.816 20 10 GHCDLO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000850484102 876957137 /nfs/dbraw/zinc/95/71/37/876957137.db2.gz CGMYTEASXSXUIU-NSHDSACASA-N 1 2 395.272 3.781 20 10 GHCDLO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)cc(F)c1O ZINC000850562711 877028484 /nfs/dbraw/zinc/02/84/84/877028484.db2.gz PENMRTYZQAXYMK-PIGZYNQJSA-N 1 2 390.293 3.512 20 10 GHCDLO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(Br)cc(F)c1O ZINC000858452603 883109340 /nfs/dbraw/zinc/10/93/40/883109340.db2.gz MLCIIDLPTMRUGJ-ZETCQYMHSA-N 1 2 396.182 3.897 20 10 GHCDLO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787288156 877297267 /nfs/dbraw/zinc/29/72/67/877297267.db2.gz IJOPTROCLPEVDD-CYBMUJFWSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787288156 877297281 /nfs/dbraw/zinc/29/72/81/877297281.db2.gz IJOPTROCLPEVDD-CYBMUJFWSA-N 1 2 381.245 3.732 20 10 GHCDLO Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000789728824 879203027 /nfs/dbraw/zinc/20/30/27/879203027.db2.gz ZAYQITYYGKFGJZ-UHFFFAOYSA-N 1 2 387.530 3.981 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000790267833 879580143 /nfs/dbraw/zinc/58/01/43/879580143.db2.gz LEXDQYXCMDTUFQ-UHFFFAOYSA-N 1 2 378.513 3.578 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000790267833 879580152 /nfs/dbraw/zinc/58/01/52/879580152.db2.gz LEXDQYXCMDTUFQ-UHFFFAOYSA-N 1 2 378.513 3.578 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3conc3Cc3ccccc3)CC2)c(OC)c1 ZINC001183420137 912506276 /nfs/dbraw/zinc/50/62/76/912506276.db2.gz WNORDZBOGSUXNE-UHFFFAOYSA-N 1 2 393.487 3.605 20 10 GHCDLO COc1ccc(O)c(C[NH2+]Cc2noc(-c3cccc(Br)c3)n2)c1 ZINC000790941234 880117082 /nfs/dbraw/zinc/11/70/82/880117082.db2.gz SZWOTTSGZUAVFV-UHFFFAOYSA-N 1 2 390.237 3.503 20 10 GHCDLO COCCC1([NH2+]Cc2cccc(Cl)c2O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001183472054 912560872 /nfs/dbraw/zinc/56/08/72/912560872.db2.gz LDVQIPGAHSIAMS-UHFFFAOYSA-N 1 2 398.931 3.941 20 10 GHCDLO COCCN(Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccc(OC)c(OC)c1 ZINC000792254227 881018786 /nfs/dbraw/zinc/01/87/86/881018786.db2.gz GKJOXCZEXWYREJ-UHFFFAOYSA-N 1 2 381.476 3.851 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C)n1-c1cccc(C)c1 ZINC000859885919 884149203 /nfs/dbraw/zinc/14/92/03/884149203.db2.gz XHHAFZLFELFRDT-IOKPGSKQSA-N 1 2 384.545 3.571 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C)n1-c1cccc(C)c1 ZINC000859885919 884149215 /nfs/dbraw/zinc/14/92/15/884149215.db2.gz XHHAFZLFELFRDT-IOKPGSKQSA-N 1 2 384.545 3.571 20 10 GHCDLO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(Cl)c1O ZINC000806134589 884355288 /nfs/dbraw/zinc/35/52/88/884355288.db2.gz LQDMHLCEWYUTLE-LJQANCHMSA-N 1 2 388.895 3.759 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1C(F)(F)F ZINC001183853567 912856881 /nfs/dbraw/zinc/85/68/81/912856881.db2.gz BPJFXEFVATZXHA-DGCLKSJQSA-N 1 2 394.821 3.933 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1C(F)(F)F ZINC001183853567 912856898 /nfs/dbraw/zinc/85/68/98/912856898.db2.gz BPJFXEFVATZXHA-DGCLKSJQSA-N 1 2 394.821 3.933 20 10 GHCDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807029440 885194889 /nfs/dbraw/zinc/19/48/89/885194889.db2.gz DUWHPWJHCKOWMR-INIZCTEOSA-N 1 2 380.275 3.685 20 10 GHCDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807029440 885194897 /nfs/dbraw/zinc/19/48/97/885194897.db2.gz DUWHPWJHCKOWMR-INIZCTEOSA-N 1 2 380.275 3.685 20 10 GHCDLO COc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)c(OC)n1 ZINC000810260773 888324286 /nfs/dbraw/zinc/32/42/86/888324286.db2.gz PHGFZAQWEVIGDG-SECBINFHSA-N 1 2 385.233 3.557 20 10 GHCDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000123328625 890521573 /nfs/dbraw/zinc/52/15/73/890521573.db2.gz SXVRSKVZIYVPLO-UHFFFAOYSA-N 1 2 382.435 3.785 20 10 GHCDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000123328625 890521581 /nfs/dbraw/zinc/52/15/81/890521581.db2.gz SXVRSKVZIYVPLO-UHFFFAOYSA-N 1 2 382.435 3.785 20 10 GHCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000812772340 890947902 /nfs/dbraw/zinc/94/79/02/890947902.db2.gz KYIRZACTHOZKIN-CYBMUJFWSA-N 1 2 379.273 3.910 20 10 GHCDLO COc1ccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c(O)c1 ZINC000812969293 891170763 /nfs/dbraw/zinc/17/07/63/891170763.db2.gz PQPZFLJBWOPLDY-UHFFFAOYSA-N 1 2 392.459 3.922 20 10 GHCDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)c(F)cc1O ZINC000816481369 894850520 /nfs/dbraw/zinc/85/05/20/894850520.db2.gz SLFMPYGUMWRILV-UHFFFAOYSA-N 1 2 393.846 3.604 20 10 GHCDLO COc1c(O)c(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774906622 913991796 /nfs/dbraw/zinc/99/17/96/913991796.db2.gz CJCBKTGVIPVNJZ-BEFAXECRSA-N 1 2 386.448 3.888 20 10 GHCDLO COc1c(O)c(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774906622 913991808 /nfs/dbraw/zinc/99/18/08/913991808.db2.gz CJCBKTGVIPVNJZ-BEFAXECRSA-N 1 2 386.448 3.888 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)cc1 ZINC001136956031 899846258 /nfs/dbraw/zinc/84/62/58/899846258.db2.gz FAQCBQZKUAGUSN-UHFFFAOYSA-N 1 2 383.517 3.644 20 10 GHCDLO Oc1cc(Br)ccc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000825096571 899972868 /nfs/dbraw/zinc/97/28/68/899972868.db2.gz IBIZLDRNHLGMRG-UHFFFAOYSA-N 1 2 389.337 3.951 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001144298396 901646490 /nfs/dbraw/zinc/64/64/90/901646490.db2.gz CVQMYRKBMZDYNZ-UHFFFAOYSA-N 1 2 394.284 3.863 20 10 GHCDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000845080244 901732612 /nfs/dbraw/zinc/73/26/12/901732612.db2.gz NGTFWQGVAAAOIG-AEFFLSMTSA-N 1 2 395.837 3.568 20 10 GHCDLO C[N@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000845080244 901732626 /nfs/dbraw/zinc/73/26/26/901732626.db2.gz NGTFWQGVAAAOIG-AEFFLSMTSA-N 1 2 395.837 3.568 20 10 GHCDLO COc1c(O)c(C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000365806261 921177150 /nfs/dbraw/zinc/17/71/50/921177150.db2.gz OHBWNMNEEWNNNT-IBGZPJMESA-N 1 2 379.416 3.892 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@@H](O)Cc1ccccc1 ZINC001178249342 908951827 /nfs/dbraw/zinc/95/18/27/908951827.db2.gz NHWZKOIWRUVJON-BZNIZROVSA-N 1 2 384.701 3.890 20 10 GHCDLO CCS[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775254122 916652611 /nfs/dbraw/zinc/65/26/11/916652611.db2.gz HCRWNGVCPFUJNQ-LSDHHAIUSA-N 1 2 376.526 3.571 20 10 GHCDLO COC1CCN(c2ccc(CN3CC[NH+]([C@@H](C)c4cccnc4)CC3)cc2)CC1 ZINC000295088768 917136297 /nfs/dbraw/zinc/13/62/97/917136297.db2.gz RYZWPQYLPYXWNI-FQEVSTJZSA-N 1 2 394.563 3.576 20 10 GHCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000651240080 917540815 /nfs/dbraw/zinc/54/08/15/917540815.db2.gz QAMHPIGVDVFXCY-INIZCTEOSA-N 1 2 392.503 3.658 20 10 GHCDLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)Cc1cc(F)ccc1O ZINC000800533232 920247562 /nfs/dbraw/zinc/24/75/62/920247562.db2.gz LHTVHNJSDYTSPY-UHFFFAOYSA-N 1 2 385.266 3.976 20 10 GHCDLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)Cc1cc(F)ccc1O ZINC000800533232 920247578 /nfs/dbraw/zinc/24/75/78/920247578.db2.gz LHTVHNJSDYTSPY-UHFFFAOYSA-N 1 2 385.266 3.976 20 10 GHCDLO Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c1O ZINC000800540599 920260307 /nfs/dbraw/zinc/26/03/07/920260307.db2.gz KQDCLWMKWIRHDF-LJQANCHMSA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)c1O ZINC000800540599 920260320 /nfs/dbraw/zinc/26/03/20/920260320.db2.gz KQDCLWMKWIRHDF-LJQANCHMSA-N 1 2 383.492 3.890 20 10 GHCDLO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000367721109 922282028 /nfs/dbraw/zinc/28/20/28/922282028.db2.gz NIVDRMONZSBJTE-FQEVSTJZSA-N 1 2 382.508 3.901 20 10 GHCDLO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000367721109 922282038 /nfs/dbraw/zinc/28/20/38/922282038.db2.gz NIVDRMONZSBJTE-FQEVSTJZSA-N 1 2 382.508 3.901 20 10 GHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2Cl)C1 ZINC000374373975 927070253 /nfs/dbraw/zinc/07/02/53/927070253.db2.gz UTYDGYXRALDBFZ-WBVHZDCISA-N 1 2 386.927 3.652 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)c1 ZINC000781895849 931016285 /nfs/dbraw/zinc/01/62/85/931016285.db2.gz FNJFNYGQXSFCBT-UHFFFAOYSA-N 1 2 383.330 3.686 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+](C)CC(=O)N(C)C2CCCCC2)c1 ZINC000781895849 931016302 /nfs/dbraw/zinc/01/63/02/931016302.db2.gz FNJFNYGQXSFCBT-UHFFFAOYSA-N 1 2 383.330 3.686 20 10 GHCDLO CCn1cc(N2C(=O)/C(=C\c3cc(-n4cc[nH+]c4)cs3)SC2=S)cn1 ZINC000783698130 931621667 /nfs/dbraw/zinc/62/16/67/931621667.db2.gz HNNVJKBMKCCGPA-MKMNVTDBSA-N 1 2 387.515 3.556 20 10 GHCDLO Cc1ccc([C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000798088783 932525326 /nfs/dbraw/zinc/52/53/26/932525326.db2.gz VHFRHKMGZBQGCR-SGTLLEGYSA-N 1 2 385.888 3.757 20 10 GHCDLO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(Br)c(F)cc1O ZINC000799730385 933101573 /nfs/dbraw/zinc/10/15/73/933101573.db2.gz FBBMMGMQUUQUKC-JSGCOSHPSA-N 1 2 382.273 3.938 20 10 GHCDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C3 ZINC001119517102 934363645 /nfs/dbraw/zinc/36/36/45/934363645.db2.gz OHAMDGOGVSKSEE-UHFFFAOYSA-N 1 2 391.515 3.696 20 10 GHCDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C3 ZINC001119517102 934363656 /nfs/dbraw/zinc/36/36/56/934363656.db2.gz OHAMDGOGVSKSEE-UHFFFAOYSA-N 1 2 391.515 3.696 20 10 GHCDLO Cc1cc(CC(=O)N2CCC([N@H+](C)CC(F)F)CC2)c(C)n1-c1ccccc1 ZINC000829048690 935759128 /nfs/dbraw/zinc/75/91/28/935759128.db2.gz OWYQXEVQQVFWSH-UHFFFAOYSA-N 1 2 389.490 3.825 20 10 GHCDLO Cc1cc(CC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c(C)n1-c1ccccc1 ZINC000829048690 935759129 /nfs/dbraw/zinc/75/91/29/935759129.db2.gz OWYQXEVQQVFWSH-UHFFFAOYSA-N 1 2 389.490 3.825 20 10 GHCDLO O=C(NCc1ccccc1O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001545682086 1014916637 /nfs/dbraw/zinc/91/66/37/1014916637.db2.gz POZQZXYTWFLSIV-GOSISDBHSA-N 1 2 389.293 3.608 20 10 GHCDLO O=C1CCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)CN1CC(F)(F)F ZINC001277231372 1032516254 /nfs/dbraw/zinc/51/62/54/1032516254.db2.gz BIOBKQVIFCQJBG-UHFFFAOYSA-N 1 2 390.833 3.813 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000801573185 1021412700 /nfs/dbraw/zinc/41/27/00/1021412700.db2.gz CWOPWSJUEVPKJE-HXUWFJFHSA-N 1 2 396.915 3.985 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000801573185 1021412707 /nfs/dbraw/zinc/41/27/07/1021412707.db2.gz CWOPWSJUEVPKJE-HXUWFJFHSA-N 1 2 396.915 3.985 20 10 GHCDLO CCN(CC)c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001140857462 1022715331 /nfs/dbraw/zinc/71/53/31/1022715331.db2.gz YTVIGOLQBCYMLG-FQEVSTJZSA-N 1 2 381.511 3.934 20 10 GHCDLO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000756394383 1023626715 /nfs/dbraw/zinc/62/67/15/1023626715.db2.gz CVWXDGFIGMDGKL-JTQLQIEISA-N 1 2 381.245 3.504 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(Br)cc(F)c1O ZINC000756455490 1023660555 /nfs/dbraw/zinc/66/05/55/1023660555.db2.gz DAJGDULGFAWWMW-TZMCWYRMSA-N 1 2 382.273 3.796 20 10 GHCDLO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756532236 1023700991 /nfs/dbraw/zinc/70/09/91/1023700991.db2.gz FJLHWAXJOBBFHI-SNVBAGLBSA-N 1 2 391.281 3.859 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)c(F)cc1O ZINC000756582071 1023720619 /nfs/dbraw/zinc/72/06/19/1023720619.db2.gz FMCAXODUIHTPAH-TUAOUCFPSA-N 1 2 387.293 3.591 20 10 GHCDLO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Br)cc(F)c1O ZINC000756637857 1023748722 /nfs/dbraw/zinc/74/87/22/1023748722.db2.gz JUZTUVQHNIRFMH-LLVKDONJSA-N 1 2 387.293 3.736 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)cc(F)c1O ZINC000756660443 1023760252 /nfs/dbraw/zinc/76/02/52/1023760252.db2.gz XIWSPWLIIYGZMV-RISCZKNCSA-N 1 2 399.304 3.736 20 10 GHCDLO Oc1cc(O)cc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC001138333683 1024693439 /nfs/dbraw/zinc/69/34/39/1024693439.db2.gz LORHFPHMHRBLHD-UHFFFAOYSA-N 1 2 390.483 3.999 20 10 GHCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(OC)c1 ZINC001138391062 1024767170 /nfs/dbraw/zinc/76/71/70/1024767170.db2.gz BCNPOYNIYIOGDP-UHFFFAOYSA-N 1 2 387.568 3.766 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)c1ccn(C)n1 ZINC000839190894 1025711689 /nfs/dbraw/zinc/71/16/89/1025711689.db2.gz KRAWQUSHFOORCQ-QMMMGPOBSA-N 1 2 389.091 3.502 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001139129044 1025940084 /nfs/dbraw/zinc/94/00/84/1025940084.db2.gz MAPFXYPDNHDCFJ-UHFFFAOYSA-N 1 2 396.462 3.654 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001139129044 1025940088 /nfs/dbraw/zinc/94/00/88/1025940088.db2.gz MAPFXYPDNHDCFJ-UHFFFAOYSA-N 1 2 396.462 3.654 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC001139127613 1025940409 /nfs/dbraw/zinc/94/04/09/1025940409.db2.gz ZBMMBVLXQYEEEX-MRXNPFEDSA-N 1 2 396.462 3.652 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC001139127613 1025940424 /nfs/dbraw/zinc/94/04/24/1025940424.db2.gz ZBMMBVLXQYEEEX-MRXNPFEDSA-N 1 2 396.462 3.652 20 10 GHCDLO Cc1cccnc1O[C@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132812 1025945253 /nfs/dbraw/zinc/94/52/53/1025945253.db2.gz APHPKXCSSLMAQW-INIZCTEOSA-N 1 2 380.444 3.554 20 10 GHCDLO Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132812 1025945257 /nfs/dbraw/zinc/94/52/57/1025945257.db2.gz APHPKXCSSLMAQW-INIZCTEOSA-N 1 2 380.444 3.554 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(Cl)c3OC)CC2)c(OC)c1 ZINC001140063663 1026843741 /nfs/dbraw/zinc/84/37/41/1026843741.db2.gz ZWNAMDCGKMNKGN-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCN1C(=O)OC(C)(C)C ZINC001140098872 1026875300 /nfs/dbraw/zinc/87/53/00/1026875300.db2.gz PYNLNIIOOJOFNY-GFCCVEGCSA-N 1 2 385.302 3.596 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CCN1C(=O)OC(C)(C)C ZINC001140098872 1026875310 /nfs/dbraw/zinc/87/53/10/1026875310.db2.gz PYNLNIIOOJOFNY-GFCCVEGCSA-N 1 2 385.302 3.596 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc(NC(N)=O)cc1 ZINC001461197206 1069437187 /nfs/dbraw/zinc/43/71/87/1069437187.db2.gz UEFXDWSOGFMQMC-SECBINFHSA-N 1 2 382.233 3.635 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CCN(c2nc(NCC3CC3)c(C)c[nH+]2)C1 ZINC001166819046 1027095374 /nfs/dbraw/zinc/09/53/74/1027095374.db2.gz MGZXLMTUJHWQOU-UHFFFAOYSA-N 1 2 377.492 3.670 20 10 GHCDLO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc(Br)cc(F)c2O)cn1 ZINC001203161727 1027221140 /nfs/dbraw/zinc/22/11/40/1027221140.db2.gz RBJVKHRYKBLILF-MLGOLLRUSA-N 1 2 382.277 3.528 20 10 GHCDLO Oc1c(F)cccc1Nc1cc[nH+]c2ccc(I)cc12 ZINC001210196396 1027380744 /nfs/dbraw/zinc/38/07/44/1027380744.db2.gz DLCWYNPLJFDIDO-UHFFFAOYSA-N 1 2 380.160 3.850 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001203634019 1027491690 /nfs/dbraw/zinc/49/16/90/1027491690.db2.gz NNAGANMEEHFCOW-JQWIXIFHSA-N 1 2 386.183 3.883 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC3CCCC3)nc21 ZINC001203877906 1027676017 /nfs/dbraw/zinc/67/60/17/1027676017.db2.gz ZHGXHWFSRFZETK-IBGZPJMESA-N 1 2 385.508 3.620 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC3CCCC3)nc21 ZINC001203877906 1027676022 /nfs/dbraw/zinc/67/60/22/1027676022.db2.gz ZHGXHWFSRFZETK-IBGZPJMESA-N 1 2 385.508 3.620 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(Br)c(F)cc1O ZINC000840879262 1027917249 /nfs/dbraw/zinc/91/72/49/1027917249.db2.gz CVCLIEOVBOCXKI-ZYHUDNBSSA-N 1 2 386.236 3.860 20 10 GHCDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1c(O)cc(C)cc1Cl ZINC000840907431 1027942580 /nfs/dbraw/zinc/94/25/80/1027942580.db2.gz DOQMYHLZTHZQSN-UHFFFAOYSA-N 1 2 389.883 3.773 20 10 GHCDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1c(O)cc(C)cc1Cl ZINC000840907431 1027942585 /nfs/dbraw/zinc/94/25/85/1027942585.db2.gz DOQMYHLZTHZQSN-UHFFFAOYSA-N 1 2 389.883 3.773 20 10 GHCDLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000840979088 1028019297 /nfs/dbraw/zinc/01/92/97/1028019297.db2.gz RISVYJQFUJIOGB-NXEZZACHSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000840979088 1028019313 /nfs/dbraw/zinc/01/93/13/1028019313.db2.gz RISVYJQFUJIOGB-NXEZZACHSA-N 1 2 393.119 3.510 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001142517641 1029021812 /nfs/dbraw/zinc/02/18/12/1029021812.db2.gz UWVLEZBRDVJOPT-UHFFFAOYSA-N 1 2 389.402 3.583 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001142517641 1029021832 /nfs/dbraw/zinc/02/18/32/1029021832.db2.gz UWVLEZBRDVJOPT-UHFFFAOYSA-N 1 2 389.402 3.583 20 10 GHCDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc3ccccc3c2/N=N/c2nccs2)C[NH2+]1 ZINC001218172386 1030806294 /nfs/dbraw/zinc/80/62/94/1030806294.db2.gz IUDJFHSTDMSGQJ-UHOYSILGSA-N 1 2 382.445 3.994 20 10 GHCDLO Oc1cccc(Br)c1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC001205642822 1033508419 /nfs/dbraw/zinc/50/84/19/1033508419.db2.gz PEGXYAZKCLFVOH-UHFFFAOYSA-N 1 2 383.236 3.755 20 10 GHCDLO C[C@@H](C[NH+]1CCOCC1)OC1=CC(=O)C=CC1=NNc1ccc([N+](=O)[O-])cc1 ZINC001230208505 1033945258 /nfs/dbraw/zinc/94/52/58/1033945258.db2.gz OLLZFZGOKWEUAX-PXKHIBQASA-N 1 2 386.408 3.815 20 10 GHCDLO CCOC(=O)[C@@]1(F)C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1CC ZINC001207535574 1034439266 /nfs/dbraw/zinc/43/92/66/1034439266.db2.gz JPTJJKBICLPWJZ-KBXCAEBGSA-N 1 2 390.421 3.885 20 10 GHCDLO CCOC(=O)[C@@]1(F)C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1CC ZINC001207535574 1034439272 /nfs/dbraw/zinc/43/92/72/1034439272.db2.gz JPTJJKBICLPWJZ-KBXCAEBGSA-N 1 2 390.421 3.885 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277510887 1034549126 /nfs/dbraw/zinc/54/91/26/1034549126.db2.gz SKFINVXCVAYYIY-HXUWFJFHSA-N 1 2 380.891 3.799 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@@]12CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277510887 1034549131 /nfs/dbraw/zinc/54/91/31/1034549131.db2.gz SKFINVXCVAYYIY-HXUWFJFHSA-N 1 2 380.891 3.799 20 10 GHCDLO CCOCc1ncn2c1C[N@H+](Cc1ccc(OCc3ccccc3)cc1O)CC2 ZINC001231466643 1034612440 /nfs/dbraw/zinc/61/24/40/1034612440.db2.gz DZZZGDLPYIGMOF-UHFFFAOYSA-N 1 2 393.487 3.720 20 10 GHCDLO CCOCc1ncn2c1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1O)CC2 ZINC001231466643 1034612446 /nfs/dbraw/zinc/61/24/46/1034612446.db2.gz DZZZGDLPYIGMOF-UHFFFAOYSA-N 1 2 393.487 3.720 20 10 GHCDLO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001232257367 1037980159 /nfs/dbraw/zinc/98/01/59/1037980159.db2.gz DBMJLAPWJDLMLH-UHFFFAOYSA-N 1 2 382.888 3.727 20 10 GHCDLO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@H+]2Cc1cc(Cl)c(O)cc1O ZINC001232257367 1037980165 /nfs/dbraw/zinc/98/01/65/1037980165.db2.gz DBMJLAPWJDLMLH-UHFFFAOYSA-N 1 2 382.888 3.727 20 10 GHCDLO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014916 1038768311 /nfs/dbraw/zinc/76/83/11/1038768311.db2.gz FGRFDTGVUFPVRK-UHFFFAOYSA-N 1 2 386.448 3.709 20 10 GHCDLO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014916 1038768314 /nfs/dbraw/zinc/76/83/14/1038768314.db2.gz FGRFDTGVUFPVRK-UHFFFAOYSA-N 1 2 386.448 3.709 20 10 GHCDLO Oc1cc(Br)cc(F)c1CN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001233031949 1038785060 /nfs/dbraw/zinc/78/50/60/1038785060.db2.gz QNHXSGHAIUGQOM-UHFFFAOYSA-N 1 2 391.284 3.754 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001233034008 1038787817 /nfs/dbraw/zinc/78/78/17/1038787817.db2.gz ZIGUQLQQYSDXCC-KBPBESRZSA-N 1 2 391.284 3.862 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1F ZINC001233418553 1039279367 /nfs/dbraw/zinc/27/93/67/1039279367.db2.gz LVAFGZBBIDZSKA-KGLIPLIRSA-N 1 2 392.393 3.848 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1F ZINC001233418553 1039279378 /nfs/dbraw/zinc/27/93/78/1039279378.db2.gz LVAFGZBBIDZSKA-KGLIPLIRSA-N 1 2 392.393 3.848 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1)c1ccccc1F ZINC001233419796 1039281677 /nfs/dbraw/zinc/28/16/77/1039281677.db2.gz MUMLUUNNJBJFHN-CQSZACIVSA-N 1 2 396.384 3.945 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1)c1ccccc1F ZINC001233419796 1039281688 /nfs/dbraw/zinc/28/16/88/1039281688.db2.gz MUMLUUNNJBJFHN-CQSZACIVSA-N 1 2 396.384 3.945 20 10 GHCDLO Oc1cc(O)c(C[NH+]2CCN(c3ccc(F)c(Cl)c3Cl)CC2)cc1O ZINC001233487769 1039381107 /nfs/dbraw/zinc/38/11/07/1039381107.db2.gz RKEKOAKOLUDWFE-UHFFFAOYSA-N 1 2 387.238 3.572 20 10 GHCDLO COC(C[N@H+](Cc1ccccc1)Cc1cc(Br)cc(F)c1O)OC ZINC001235056978 1040546726 /nfs/dbraw/zinc/54/67/26/1040546726.db2.gz KVHHOMWVUZPOMF-UHFFFAOYSA-N 1 2 398.272 3.915 20 10 GHCDLO COC(C[N@@H+](Cc1ccccc1)Cc1cc(Br)cc(F)c1O)OC ZINC001235056978 1040546732 /nfs/dbraw/zinc/54/67/32/1040546732.db2.gz KVHHOMWVUZPOMF-UHFFFAOYSA-N 1 2 398.272 3.915 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001235058060 1040547495 /nfs/dbraw/zinc/54/74/95/1040547495.db2.gz VJUNKXQTPFUKOZ-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001235058060 1040547506 /nfs/dbraw/zinc/54/75/06/1040547506.db2.gz VJUNKXQTPFUKOZ-ZDUSSCGKSA-N 1 2 386.183 3.573 20 10 GHCDLO CC[C@@H]1[N@H+](Cc2cc(Br)cc(F)c2O)CCC[C@]12CCC(=O)N2C ZINC001235059282 1040549684 /nfs/dbraw/zinc/54/96/84/1040549684.db2.gz BDUPKVHVYRWDAR-YJBOKZPZSA-N 1 2 399.304 3.659 20 10 GHCDLO CC[C@@H]1[N@@H+](Cc2cc(Br)cc(F)c2O)CCC[C@]12CCC(=O)N2C ZINC001235059282 1040549700 /nfs/dbraw/zinc/54/97/00/1040549700.db2.gz BDUPKVHVYRWDAR-YJBOKZPZSA-N 1 2 399.304 3.659 20 10 GHCDLO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235293785 1040765623 /nfs/dbraw/zinc/76/56/23/1040765623.db2.gz BSWWTHBMIJHXAW-KRWDZBQOSA-N 1 2 388.277 3.849 20 10 GHCDLO CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235293785 1040765645 /nfs/dbraw/zinc/76/56/45/1040765645.db2.gz BSWWTHBMIJHXAW-KRWDZBQOSA-N 1 2 388.277 3.849 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001235306494 1040780274 /nfs/dbraw/zinc/78/02/74/1040780274.db2.gz GYZIHZVXPBROJE-UHFFFAOYSA-N 1 2 399.235 3.871 20 10 GHCDLO Oc1c(F)ccc(F)c1CN1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC001235792156 1041286522 /nfs/dbraw/zinc/28/65/22/1041286522.db2.gz LWHPKBYGKROBKW-INIZCTEOSA-N 1 2 383.236 3.579 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235850123 1041375263 /nfs/dbraw/zinc/37/52/63/1041375263.db2.gz RFPHYISTBFRFJY-MRXNPFEDSA-N 1 2 395.728 3.825 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001236664539 1041812410 /nfs/dbraw/zinc/81/24/10/1041812410.db2.gz VLNSTFUSDDEHQR-KBPBESRZSA-N 1 2 397.313 3.657 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001236664539 1041812414 /nfs/dbraw/zinc/81/24/14/1041812414.db2.gz VLNSTFUSDDEHQR-KBPBESRZSA-N 1 2 397.313 3.657 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN(C)c3nc(C)ccc3C2)c1 ZINC001236667131 1041814366 /nfs/dbraw/zinc/81/43/66/1041814366.db2.gz SIZBNVHUVSCZGK-UHFFFAOYSA-N 1 2 376.298 3.619 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN(C)c3nc(C)ccc3C2)c1 ZINC001236667131 1041814368 /nfs/dbraw/zinc/81/43/68/1041814368.db2.gz SIZBNVHUVSCZGK-UHFFFAOYSA-N 1 2 376.298 3.619 20 10 GHCDLO COC(=O)c1cccc2c1C[N@H+](Cc1cc(C)cc(Br)c1O)CC2 ZINC001236671072 1041818118 /nfs/dbraw/zinc/81/81/18/1041818118.db2.gz SCCCWRYJPAQSCW-UHFFFAOYSA-N 1 2 390.277 3.808 20 10 GHCDLO COC(=O)c1cccc2c1C[N@@H+](Cc1cc(C)cc(Br)c1O)CC2 ZINC001236671072 1041818126 /nfs/dbraw/zinc/81/81/26/1041818126.db2.gz SCCCWRYJPAQSCW-UHFFFAOYSA-N 1 2 390.277 3.808 20 10 GHCDLO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001236778716 1041887177 /nfs/dbraw/zinc/88/71/77/1041887177.db2.gz MFQDCDODQYGTFS-MOPGFXCFSA-N 1 2 399.384 3.808 20 10 GHCDLO Oc1ccc(OCc2ccccc2)cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001236778716 1041887187 /nfs/dbraw/zinc/88/71/87/1041887187.db2.gz MFQDCDODQYGTFS-MOPGFXCFSA-N 1 2 399.384 3.808 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1Cl ZINC001236801343 1041903666 /nfs/dbraw/zinc/90/36/66/1041903666.db2.gz HENLRKQYZZEESL-OKILXGFUSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1Cl ZINC001236801343 1041903667 /nfs/dbraw/zinc/90/36/67/1041903667.db2.gz HENLRKQYZZEESL-OKILXGFUSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1cc(OC2CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)ccn1 ZINC001236809232 1041909617 /nfs/dbraw/zinc/90/96/17/1041909617.db2.gz KKJOOXSCBGQRHP-UHFFFAOYSA-N 1 2 378.856 3.501 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001237111574 1042044216 /nfs/dbraw/zinc/04/42/16/1042044216.db2.gz SLJDPDHPVXUALI-UHFFFAOYSA-N 1 2 384.373 3.748 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237128582 1042055126 /nfs/dbraw/zinc/05/51/26/1042055126.db2.gz SCRPXOLGNHSDGH-LLVKDONJSA-N 1 2 378.806 3.554 20 10 GHCDLO O=C1c2cccc(F)c2CN1[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237128582 1042055133 /nfs/dbraw/zinc/05/51/33/1042055133.db2.gz SCRPXOLGNHSDGH-LLVKDONJSA-N 1 2 378.806 3.554 20 10 GHCDLO Cc1nc(COCc2cnc3n2CC[N@@H+](Cc2c(C)cccc2O)[C@@H]3C)cs1 ZINC001237486759 1042230332 /nfs/dbraw/zinc/23/03/32/1042230332.db2.gz UDQXAILYAGAQRM-OAHLLOKOSA-N 1 2 398.532 3.956 20 10 GHCDLO Cc1nc(COCc2cnc3n2CC[N@H+](Cc2c(C)cccc2O)[C@@H]3C)cs1 ZINC001237486759 1042230335 /nfs/dbraw/zinc/23/03/35/1042230335.db2.gz UDQXAILYAGAQRM-OAHLLOKOSA-N 1 2 398.532 3.956 20 10 GHCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237623168 1042289421 /nfs/dbraw/zinc/28/94/21/1042289421.db2.gz JECRPLRZHVLIPW-GOSISDBHSA-N 1 2 378.875 3.518 20 10 GHCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237623168 1042289432 /nfs/dbraw/zinc/28/94/32/1042289432.db2.gz JECRPLRZHVLIPW-GOSISDBHSA-N 1 2 378.875 3.518 20 10 GHCDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1cc(Br)c(C)cc1O ZINC001237682774 1042324191 /nfs/dbraw/zinc/32/41/91/1042324191.db2.gz SLMAMALDJOWEHL-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(Br)c(C)cc1O ZINC001237682774 1042324198 /nfs/dbraw/zinc/32/41/98/1042324198.db2.gz SLMAMALDJOWEHL-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)Cc2c1cnn2CC1CC1 ZINC001237936488 1042428215 /nfs/dbraw/zinc/42/82/15/1042428215.db2.gz CVSRZNNYFDWVIA-OAHLLOKOSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)Cc2c1cnn2CC1CC1 ZINC001237936488 1042428216 /nfs/dbraw/zinc/42/82/16/1042428216.db2.gz CVSRZNNYFDWVIA-OAHLLOKOSA-N 1 2 393.890 3.927 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2scnc2C)c1O ZINC001279473820 1047818796 /nfs/dbraw/zinc/81/87/96/1047818796.db2.gz CVCVDNMBJCYIBM-IYBDPMFKSA-N 1 2 393.940 3.668 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2scnc2C)c1O ZINC001279473820 1047818803 /nfs/dbraw/zinc/81/88/03/1047818803.db2.gz CVCVDNMBJCYIBM-IYBDPMFKSA-N 1 2 393.940 3.668 20 10 GHCDLO CC(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001307529158 1049375024 /nfs/dbraw/zinc/37/50/24/1049375024.db2.gz HOJBAMDFCXASOM-HOTGVXAUSA-N 1 2 390.483 3.767 20 10 GHCDLO CC(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001307529158 1049375037 /nfs/dbraw/zinc/37/50/37/1049375037.db2.gz HOJBAMDFCXASOM-HOTGVXAUSA-N 1 2 390.483 3.767 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001308190099 1049906626 /nfs/dbraw/zinc/90/66/26/1049906626.db2.gz IMHJWCJRILCWQZ-UHFFFAOYSA-N 1 2 384.657 3.869 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(F)c(F)c3N(C)C)CC2)cc1F ZINC001308581302 1050018620 /nfs/dbraw/zinc/01/86/20/1050018620.db2.gz AWXGCFBWFYHIGP-UHFFFAOYSA-N 1 2 379.426 3.501 20 10 GHCDLO Cc1cccc(NC(=O)N2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)c1 ZINC001308600114 1050026313 /nfs/dbraw/zinc/02/63/13/1050026313.db2.gz RFMMUBYBFLDHHA-FNORWQNLSA-N 1 2 378.520 3.924 20 10 GHCDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001308665116 1050052629 /nfs/dbraw/zinc/05/26/29/1050052629.db2.gz XCKFQXQYBQNHCR-GFCCVEGCSA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001308665116 1050052635 /nfs/dbraw/zinc/05/26/35/1050052635.db2.gz XCKFQXQYBQNHCR-GFCCVEGCSA-N 1 2 388.277 3.848 20 10 GHCDLO COC(=O)N1CCN(c2ccc(N[C@@H]3C[C@@H](C)c4c3c(O)ccc4C)c[nH+]2)CC1 ZINC001324967439 1057255095 /nfs/dbraw/zinc/25/50/95/1057255095.db2.gz DTWSUHXDQAUBQR-NVXWUHKLSA-N 1 2 396.491 3.644 20 10 GHCDLO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001474355847 1074360240 /nfs/dbraw/zinc/36/02/40/1074360240.db2.gz PFQKWWAIGFUMMI-GFCCVEGCSA-N 1 2 388.277 3.849 20 10 GHCDLO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001474355847 1074360245 /nfs/dbraw/zinc/36/02/45/1074360245.db2.gz PFQKWWAIGFUMMI-GFCCVEGCSA-N 1 2 388.277 3.849 20 10 GHCDLO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(Br)c(F)cc1O ZINC000756405284 839073543 /nfs/dbraw/zinc/07/35/43/839073543.db2.gz ZFBZKDWUECLQER-LLVKDONJSA-N 1 2 382.277 3.720 20 10 GHCDLO C[C@H]([NH2+]Cc1cncn1C)c1cc(Br)cc(Br)c1O ZINC000289630162 839452708 /nfs/dbraw/zinc/45/27/08/839452708.db2.gz FDZKHJLFSJUSHB-QMMMGPOBSA-N 1 2 389.091 3.502 20 10 GHCDLO C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000756530514 841023707 /nfs/dbraw/zinc/02/37/07/841023707.db2.gz YXYUFNQARTYCLG-SNVBAGLBSA-N 1 2 391.281 3.811 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000224062949 842560732 /nfs/dbraw/zinc/56/07/32/842560732.db2.gz DSINTRURYWMPBX-ZDUSSCGKSA-N 1 2 385.302 3.644 20 10 GHCDLO C[C@@H]([NH2+]Cc1nccn1C)c1cc(Br)cc(Br)c1O ZINC000273557671 847370565 /nfs/dbraw/zinc/37/05/65/847370565.db2.gz HDWFZDGEOFPKCU-MRVPVSSYSA-N 1 2 389.091 3.502 20 10 GHCDLO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(Br)cc(F)c3O)C2)n1 ZINC000922863127 860688151 /nfs/dbraw/zinc/68/81/51/860688151.db2.gz YVFAKUSWWAVDHV-SKDRFNHKSA-N 1 2 384.249 3.665 20 10 GHCDLO C[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000301893401 865591651 /nfs/dbraw/zinc/59/16/51/865591651.db2.gz OXWHQULFOBWJET-HNNXBMFYSA-N 1 2 380.496 3.591 20 10 GHCDLO CCO[C@@H](C)c1noc(C[N@H+](CC)Cc2cc(Br)ccc2O)n1 ZINC000174422537 865789585 /nfs/dbraw/zinc/78/95/85/865789585.db2.gz YJTQKUYLYWEIMZ-NSHDSACASA-N 1 2 384.274 3.657 20 10 GHCDLO CCO[C@@H](C)c1noc(C[N@@H+](CC)Cc2cc(Br)ccc2O)n1 ZINC000174422537 865789594 /nfs/dbraw/zinc/78/95/94/865789594.db2.gz YJTQKUYLYWEIMZ-NSHDSACASA-N 1 2 384.274 3.657 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)CC[C@@H](C)O)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000744406691 868815819 /nfs/dbraw/zinc/81/58/19/868815819.db2.gz MUUAFRFFUACYGF-CQSZACIVSA-N 1 2 380.435 3.581 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)CC[C@@H](C)O)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000744406691 868815841 /nfs/dbraw/zinc/81/58/41/868815841.db2.gz MUUAFRFFUACYGF-CQSZACIVSA-N 1 2 380.435 3.581 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1O ZINC000775642337 872212738 /nfs/dbraw/zinc/21/27/38/872212738.db2.gz DNNBLACDNWVVIT-UHFFFAOYSA-N 1 2 388.265 3.744 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1O ZINC000775642337 872212759 /nfs/dbraw/zinc/21/27/59/872212759.db2.gz DNNBLACDNWVVIT-UHFFFAOYSA-N 1 2 388.265 3.744 20 10 GHCDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775651975 872378835 /nfs/dbraw/zinc/37/88/35/872378835.db2.gz DGPUVGJDNINGKQ-UHFFFAOYSA-N 1 2 376.859 3.888 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCc3sc(Br)cc3C2)cc1OC ZINC000768463067 873328608 /nfs/dbraw/zinc/32/86/08/873328608.db2.gz QTHCJVDSFUCFEE-UHFFFAOYSA-N 1 2 384.295 3.792 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCc3sc(Br)cc3C2)cc1OC ZINC000768463067 873328625 /nfs/dbraw/zinc/32/86/25/873328625.db2.gz QTHCJVDSFUCFEE-UHFFFAOYSA-N 1 2 384.295 3.792 20 10 GHCDLO CC(C)[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nc(-c2ccncc2)no1 ZINC000858122769 882863128 /nfs/dbraw/zinc/86/31/28/882863128.db2.gz QZRSYAZYFHZMFR-GOSISDBHSA-N 1 2 387.434 3.963 20 10 GHCDLO CN1C(=O)C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@@H]1c1ccc(Cl)cc1 ZINC000776252000 876030893 /nfs/dbraw/zinc/03/08/93/876030893.db2.gz IBJZFZJOVPYMJN-RDJZCZTQSA-N 1 2 383.250 3.900 20 10 GHCDLO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000850500439 876975229 /nfs/dbraw/zinc/97/52/29/876975229.db2.gz DGOFEQOVDMOLNH-GKSGUAPZSA-N 1 2 390.293 3.511 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)cc(F)c1O ZINC000850558315 877024542 /nfs/dbraw/zinc/02/45/42/877024542.db2.gz PYCIYAUKSIDSHZ-MNOVXSKESA-N 1 2 387.293 3.591 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CCC[C@@H]1O ZINC001203563863 912404540 /nfs/dbraw/zinc/40/45/40/912404540.db2.gz AHRANBYZCWPQOR-RNCFNFMXSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CCC[C@@H]1O ZINC001203563863 912404556 /nfs/dbraw/zinc/40/45/56/912404556.db2.gz AHRANBYZCWPQOR-RNCFNFMXSA-N 1 2 393.119 3.510 20 10 GHCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccccc3C(F)(F)F)C1)OCO2 ZINC000180575425 879062081 /nfs/dbraw/zinc/06/20/81/879062081.db2.gz SARNESGHAAZCGL-GOSISDBHSA-N 1 2 381.350 3.713 20 10 GHCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccccc3C(F)(F)F)C1)OCO2 ZINC000180575425 879062087 /nfs/dbraw/zinc/06/20/87/879062087.db2.gz SARNESGHAAZCGL-GOSISDBHSA-N 1 2 381.350 3.713 20 10 GHCDLO CCc1ccc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)CCO2)cc1 ZINC000792191201 880978961 /nfs/dbraw/zinc/97/89/61/880978961.db2.gz XLWQSOPUDRREAI-HSZRJFAPSA-N 1 2 384.495 3.798 20 10 GHCDLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)CCO2)cc1 ZINC000792191201 880978971 /nfs/dbraw/zinc/97/89/71/880978971.db2.gz XLWQSOPUDRREAI-HSZRJFAPSA-N 1 2 384.495 3.798 20 10 GHCDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2ccc(OCC)cc2O)n1 ZINC000792195855 880981926 /nfs/dbraw/zinc/98/19/26/880981926.db2.gz GDWFXDSXSFEEQI-MRXNPFEDSA-N 1 2 376.478 3.761 20 10 GHCDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2ccc(OCC)cc2O)n1 ZINC000792195855 880981938 /nfs/dbraw/zinc/98/19/38/880981938.db2.gz GDWFXDSXSFEEQI-MRXNPFEDSA-N 1 2 376.478 3.761 20 10 GHCDLO CC[C@@H]([NH2+]C[C@H](CO)Cc1cc(OC)cc(OC)c1)c1cccc(Cl)c1O ZINC000806140995 884400145 /nfs/dbraw/zinc/40/01/45/884400145.db2.gz FCQUPCDHRQZFPI-FOIQADDNSA-N 1 2 393.911 3.955 20 10 GHCDLO CCC1(N2CCOCC2)CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000862536654 886440718 /nfs/dbraw/zinc/44/07/18/886440718.db2.gz RCJUJGNQQKMXKK-UHFFFAOYSA-N 1 2 397.357 3.540 20 10 GHCDLO CCC1([NH+]2CCOCC2)CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC000862536654 886440725 /nfs/dbraw/zinc/44/07/25/886440725.db2.gz RCJUJGNQQKMXKK-UHFFFAOYSA-N 1 2 397.357 3.540 20 10 GHCDLO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc(Br)cc(F)c3O)[C@@H]2C1 ZINC000808723723 886707411 /nfs/dbraw/zinc/70/74/11/886707411.db2.gz PZCXHNQHKJUXQP-ZDXROJMESA-N 1 2 399.304 3.591 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000863546700 887205662 /nfs/dbraw/zinc/20/56/62/887205662.db2.gz MYRFRTYDRKSGGT-KKZNHRDASA-N 1 2 392.135 3.708 20 10 GHCDLO C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000863546703 887205972 /nfs/dbraw/zinc/20/59/72/887205972.db2.gz MYRFRTYDRKSGGT-YWVKMMECSA-N 1 2 392.135 3.708 20 10 GHCDLO NC(=O)C[N@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCCC1 ZINC000917116761 891283963 /nfs/dbraw/zinc/28/39/63/891283963.db2.gz YVSDJBPWZUSNJP-UHFFFAOYSA-N 1 2 379.464 3.770 20 10 GHCDLO NC(=O)C[N@@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCCC1 ZINC000917116761 891283979 /nfs/dbraw/zinc/28/39/79/891283979.db2.gz YVSDJBPWZUSNJP-UHFFFAOYSA-N 1 2 379.464 3.770 20 10 GHCDLO CCOCc1cc(C[NH2+][C@@H](C)c2ncc(Br)cn2)ccc1OC ZINC000814302300 892529984 /nfs/dbraw/zinc/52/99/84/892529984.db2.gz RMSURQDQMAXAGW-LBPRGKRZSA-N 1 2 380.286 3.635 20 10 GHCDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000774854618 913801764 /nfs/dbraw/zinc/80/17/64/913801764.db2.gz YEISRVIZCDRENW-QFBILLFUSA-N 1 2 399.491 3.966 20 10 GHCDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000774854618 913801783 /nfs/dbraw/zinc/80/17/83/913801783.db2.gz YEISRVIZCDRENW-QFBILLFUSA-N 1 2 399.491 3.966 20 10 GHCDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000878154602 894056169 /nfs/dbraw/zinc/05/61/69/894056169.db2.gz ZOCYRWSLGFOYAW-JTQLQIEISA-N 1 2 383.242 3.512 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000878154602 894056182 /nfs/dbraw/zinc/05/61/82/894056182.db2.gz ZOCYRWSLGFOYAW-JTQLQIEISA-N 1 2 383.242 3.512 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1O ZINC000748049790 894555010 /nfs/dbraw/zinc/55/50/10/894555010.db2.gz RHGGKDOUZSHSQU-UHFFFAOYSA-N 1 2 392.927 3.909 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000816664752 895011018 /nfs/dbraw/zinc/01/10/18/895011018.db2.gz DLRODWSNNXRSPT-UHFFFAOYSA-N 1 2 386.455 3.842 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(Br)cc(F)c1O ZINC000817973968 895989588 /nfs/dbraw/zinc/98/95/88/895989588.db2.gz HVKMNBQBFXYWOC-GTNSWQLSSA-N 1 2 379.273 3.831 20 10 GHCDLO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(F)c2O)cc1C ZINC001202676796 899176349 /nfs/dbraw/zinc/17/63/49/899176349.db2.gz QGDKYYZEVMLCSS-INIZCTEOSA-N 1 2 382.273 3.604 20 10 GHCDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428338 900137679 /nfs/dbraw/zinc/13/76/79/900137679.db2.gz JYWRURMUJYKNNZ-NSHDSACASA-N 1 2 375.835 3.948 20 10 GHCDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428338 900137690 /nfs/dbraw/zinc/13/76/90/900137690.db2.gz JYWRURMUJYKNNZ-NSHDSACASA-N 1 2 375.835 3.948 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000890266434 900953911 /nfs/dbraw/zinc/95/39/11/900953911.db2.gz PSIAYZPRHJAUAX-OAQYLSRUSA-N 1 2 377.492 3.532 20 10 GHCDLO CCCN(Cc1ccccc1O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000066698747 901018683 /nfs/dbraw/zinc/01/86/83/901018683.db2.gz HSRLAPCPGQJCFH-UHFFFAOYSA-N 1 2 382.508 3.899 20 10 GHCDLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307807 901699639 /nfs/dbraw/zinc/69/96/39/901699639.db2.gz CJUKAPVTKUWFIV-CYBMUJFWSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307807 901699644 /nfs/dbraw/zinc/69/96/44/901699644.db2.gz CJUKAPVTKUWFIV-CYBMUJFWSA-N 1 2 381.245 3.651 20 10 GHCDLO Oc1cc(F)c(Br)cc1CN1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001144308266 901700823 /nfs/dbraw/zinc/70/08/23/901700823.db2.gz UQIFNDVZSRSANS-SFHVURJKSA-N 1 2 391.284 3.709 20 10 GHCDLO Oc1cc(F)c(Br)cc1CN1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001144308266 901700831 /nfs/dbraw/zinc/70/08/31/901700831.db2.gz UQIFNDVZSRSANS-SFHVURJKSA-N 1 2 391.284 3.709 20 10 GHCDLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1noc(-c2ccccc2)n1 ZINC000124248016 902043360 /nfs/dbraw/zinc/04/33/60/902043360.db2.gz XYGHGFVOYMTDET-IAGOWNOFSA-N 1 2 378.476 3.985 20 10 GHCDLO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCn2cc[nH+]c2)cc1 ZINC000264715336 903333978 /nfs/dbraw/zinc/33/39/78/903333978.db2.gz FHXXKVNRINRQOB-UHFFFAOYSA-N 1 2 378.476 3.581 20 10 GHCDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001148680344 904151938 /nfs/dbraw/zinc/15/19/38/904151938.db2.gz OBAVCMOZDSXYCV-HNNXBMFYSA-N 1 2 393.468 3.760 20 10 GHCDLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000779165337 905090156 /nfs/dbraw/zinc/09/01/56/905090156.db2.gz PMYOQSXJIYWVEG-LIRRHRJNSA-N 1 2 387.528 3.701 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccnn1C)c1cc(Br)cc(Br)c1O ZINC000184996224 907694177 /nfs/dbraw/zinc/69/41/77/907694177.db2.gz CHWPTRYKJZNAMW-MRVPVSSYSA-N 1 2 389.091 3.502 20 10 GHCDLO CCC[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1O)OC ZINC001178791220 909229742 /nfs/dbraw/zinc/22/97/42/909229742.db2.gz UCQYTVSDCJVCAI-LLVKDONJSA-N 1 2 381.108 3.822 20 10 GHCDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000773809228 909440669 /nfs/dbraw/zinc/44/06/69/909440669.db2.gz MWBCXDXTUWOXIR-PKOBYXMFSA-N 1 2 391.874 3.819 20 10 GHCDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000773809228 909440678 /nfs/dbraw/zinc/44/06/78/909440678.db2.gz MWBCXDXTUWOXIR-PKOBYXMFSA-N 1 2 391.874 3.819 20 10 GHCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC001179966350 909873656 /nfs/dbraw/zinc/87/36/56/909873656.db2.gz KMQMFTZJGJADKZ-GFCCVEGCSA-N 1 2 391.336 3.561 20 10 GHCDLO C[N@H+](Cc1ccc(F)c(F)c1O)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC001179966350 909873659 /nfs/dbraw/zinc/87/36/59/909873659.db2.gz KMQMFTZJGJADKZ-GFCCVEGCSA-N 1 2 391.336 3.561 20 10 GHCDLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC001180092795 909913123 /nfs/dbraw/zinc/91/31/23/909913123.db2.gz NXAAPFFSHQOZSZ-KRWDZBQOSA-N 1 2 376.859 3.969 20 10 GHCDLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC001180092795 909913128 /nfs/dbraw/zinc/91/31/28/909913128.db2.gz NXAAPFFSHQOZSZ-KRWDZBQOSA-N 1 2 376.859 3.969 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001180787899 910341694 /nfs/dbraw/zinc/34/16/94/910341694.db2.gz RMMHVXGIQFJFBN-OLZOCXBDSA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001180787899 910341681 /nfs/dbraw/zinc/34/16/81/910341681.db2.gz RMMHVXGIQFJFBN-OLZOCXBDSA-N 1 2 384.904 3.884 20 10 GHCDLO CCCOc1ccc(C[N@H+](C)Cc2nc([C@@H](C)OCC(C)C)no2)c(O)c1 ZINC000271185839 910808293 /nfs/dbraw/zinc/80/82/93/910808293.db2.gz DNDLDRUFACMYMN-OAHLLOKOSA-N 1 2 377.485 3.930 20 10 GHCDLO CCCOc1ccc(C[N@@H+](C)Cc2nc([C@@H](C)OCC(C)C)no2)c(O)c1 ZINC000271185839 910808305 /nfs/dbraw/zinc/80/83/05/910808305.db2.gz DNDLDRUFACMYMN-OAHLLOKOSA-N 1 2 377.485 3.930 20 10 GHCDLO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 ZINC000093007796 912004663 /nfs/dbraw/zinc/00/46/63/912004663.db2.gz IIAFZGFBUWTMKG-UHFFFAOYSA-N 1 2 392.858 3.541 20 10 GHCDLO COc1c(O)c(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000364757476 919952812 /nfs/dbraw/zinc/95/28/12/919952812.db2.gz HFJBRQBGURRHAA-GOSISDBHSA-N 1 2 383.379 3.722 20 10 GHCDLO C[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1cc(Br)cc(F)c1O ZINC000903222972 922868186 /nfs/dbraw/zinc/86/81/86/922868186.db2.gz QMQWFSOVUNDEEQ-VIFPVBQESA-N 1 2 388.306 3.663 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000750039667 927399586 /nfs/dbraw/zinc/39/95/86/927399586.db2.gz CUAKOJMQMVMTCB-CQSZACIVSA-N 1 2 396.915 3.985 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000750039667 927399597 /nfs/dbraw/zinc/39/95/97/927399597.db2.gz CUAKOJMQMVMTCB-CQSZACIVSA-N 1 2 396.915 3.985 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000375170668 928002002 /nfs/dbraw/zinc/00/20/02/928002002.db2.gz ILGBSWFWUGGADB-MRXNPFEDSA-N 1 2 378.856 3.644 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000375170668 928002016 /nfs/dbraw/zinc/00/20/16/928002016.db2.gz ILGBSWFWUGGADB-MRXNPFEDSA-N 1 2 378.856 3.644 20 10 GHCDLO C[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)c(F)c1 ZINC000753764160 929523881 /nfs/dbraw/zinc/52/38/81/929523881.db2.gz RUYMKVROJLWVNO-PXAZEXFGSA-N 1 2 378.394 3.725 20 10 GHCDLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000780892268 930629996 /nfs/dbraw/zinc/62/99/96/930629996.db2.gz IVSDXELWYAQVDS-NXEZZACHSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000780892268 930629999 /nfs/dbraw/zinc/62/99/99/930629999.db2.gz IVSDXELWYAQVDS-NXEZZACHSA-N 1 2 393.119 3.510 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2nnc3n2CCCCC3)c1 ZINC000781626153 930912793 /nfs/dbraw/zinc/91/27/93/930912793.db2.gz FMDMOXWCKPCNHF-GFCCVEGCSA-N 1 2 379.302 3.632 20 10 GHCDLO C[C@@H]1CN(C2CCOCC2)CC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000782915013 931365229 /nfs/dbraw/zinc/36/52/29/931365229.db2.gz ZCXVYDJHNKWURY-MRXNPFEDSA-N 1 2 380.488 3.977 20 10 GHCDLO C[C@@H]1CN(C2CCOCC2)CC[N@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000782915013 931365236 /nfs/dbraw/zinc/36/52/36/931365236.db2.gz ZCXVYDJHNKWURY-MRXNPFEDSA-N 1 2 380.488 3.977 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1ncc(Br)s1)C[C@H]1CCCO1 ZINC000783381707 931530507 /nfs/dbraw/zinc/53/05/07/931530507.db2.gz QLUOTUJIKUQKLF-CYBMUJFWSA-N 1 2 383.311 3.792 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1ncc(Br)s1)C[C@H]1CCCO1 ZINC000783381707 931530514 /nfs/dbraw/zinc/53/05/14/931530514.db2.gz QLUOTUJIKUQKLF-CYBMUJFWSA-N 1 2 383.311 3.792 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000798955889 932838520 /nfs/dbraw/zinc/83/85/20/932838520.db2.gz YDINNIZCVHNQPR-UHFFFAOYSA-N 1 2 385.266 3.965 20 10 GHCDLO COc1ccc(O)c(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000374333864 1015070246 /nfs/dbraw/zinc/07/02/46/1015070246.db2.gz SLZANGURTBJXFQ-UHFFFAOYSA-N 1 2 390.443 3.638 20 10 GHCDLO COC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)Cc2nn(CC3CC3)cc21 ZINC001204327691 1032769902 /nfs/dbraw/zinc/76/99/02/1032769902.db2.gz FHMWXJQWSIDBPM-HXUWFJFHSA-N 1 2 380.536 3.639 20 10 GHCDLO COC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)Cc2nn(CC3CC3)cc21 ZINC001204327691 1032769919 /nfs/dbraw/zinc/76/99/19/1032769919.db2.gz FHMWXJQWSIDBPM-HXUWFJFHSA-N 1 2 380.536 3.639 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000195659804 1020971290 /nfs/dbraw/zinc/97/12/90/1020971290.db2.gz WWMVOBACONTUGL-UHFFFAOYSA-N 1 2 395.482 3.857 20 10 GHCDLO Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)c1O ZINC000800531652 1021316592 /nfs/dbraw/zinc/31/65/92/1021316592.db2.gz FBCFXLZBMRLRAT-LJQANCHMSA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)c1O ZINC000800531652 1021316610 /nfs/dbraw/zinc/31/66/10/1021316610.db2.gz FBCFXLZBMRLRAT-LJQANCHMSA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1cc(C[N@@H+]2CCc3c(Cl)c(O)c(O)cc3[C@@H](c3ccc(O)cc3)C2)n[nH]1 ZINC001203081548 1022965408 /nfs/dbraw/zinc/96/54/08/1022965408.db2.gz WQDPNPNGSSZSLS-GOSISDBHSA-N 1 2 399.878 3.679 20 10 GHCDLO Cc1cc(C[N@H+]2CCc3c(Cl)c(O)c(O)cc3[C@@H](c3ccc(O)cc3)C2)n[nH]1 ZINC001203081548 1022965414 /nfs/dbraw/zinc/96/54/14/1022965414.db2.gz WQDPNPNGSSZSLS-GOSISDBHSA-N 1 2 399.878 3.679 20 10 GHCDLO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756395084 1023626437 /nfs/dbraw/zinc/62/64/37/1023626437.db2.gz GTYOHRSECOXYBM-LLVKDONJSA-N 1 2 387.293 3.591 20 10 GHCDLO CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1OCC(=O)N(C)C ZINC000756434754 1023647855 /nfs/dbraw/zinc/64/78/55/1023647855.db2.gz YQXBFFBHKHFJMV-UGSOOPFHSA-N 1 2 392.446 3.939 20 10 GHCDLO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)c(F)cc2O)cc1 ZINC000756445470 1023654487 /nfs/dbraw/zinc/65/44/87/1023654487.db2.gz NYSKXKLKSBJTKU-GFCCVEGCSA-N 1 2 395.272 3.683 20 10 GHCDLO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cc(F)cc(F)c1O ZINC000756459533 1023662731 /nfs/dbraw/zinc/66/27/31/1023662731.db2.gz OGRSBXVZXSAMSG-SNVBAGLBSA-N 1 2 399.235 3.514 20 10 GHCDLO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cc(Br)c(F)cc1O ZINC000756483177 1023679160 /nfs/dbraw/zinc/67/91/60/1023679160.db2.gz PBEGPZLRFHXXGQ-LLVKDONJSA-N 1 2 378.245 3.994 20 10 GHCDLO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2)c1 ZINC000756639056 1023748952 /nfs/dbraw/zinc/74/89/52/1023748952.db2.gz VZEASUMSBRZPJV-GXTWGEPZSA-N 1 2 378.419 3.617 20 10 GHCDLO C[C@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)c(F)cc1O ZINC000756733406 1023791970 /nfs/dbraw/zinc/79/19/70/1023791970.db2.gz OUQIECLSQMZCQI-NSHDSACASA-N 1 2 376.266 3.530 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(O)ccc2O)[C@@H](c2cccs2)C1 ZINC001141162524 1023987054 /nfs/dbraw/zinc/98/70/54/1023987054.db2.gz VQPCMSCVHFDYPO-MRXNPFEDSA-N 1 2 390.505 3.953 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(O)ccc2O)[C@@H](c2cccs2)C1 ZINC001141162524 1023987056 /nfs/dbraw/zinc/98/70/56/1023987056.db2.gz VQPCMSCVHFDYPO-MRXNPFEDSA-N 1 2 390.505 3.953 20 10 GHCDLO Oc1c(F)cccc1C[N@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001138124843 1024169249 /nfs/dbraw/zinc/16/92/49/1024169249.db2.gz AHKQFINBMZHSIW-SFHVURJKSA-N 1 2 385.483 3.664 20 10 GHCDLO Oc1c(F)cccc1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001138124843 1024169255 /nfs/dbraw/zinc/16/92/55/1024169255.db2.gz AHKQFINBMZHSIW-SFHVURJKSA-N 1 2 385.483 3.664 20 10 GHCDLO Cc1c(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c2ccccc2n1C ZINC001138253956 1024475730 /nfs/dbraw/zinc/47/57/30/1024475730.db2.gz MAYJSGADJRFYTM-QZNHQXDQSA-N 1 2 377.488 3.693 20 10 GHCDLO Cc1c(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c2ccccc2n1C ZINC001138253956 1024475739 /nfs/dbraw/zinc/47/57/39/1024475739.db2.gz MAYJSGADJRFYTM-QZNHQXDQSA-N 1 2 377.488 3.693 20 10 GHCDLO CCOc1ccc(C[NH+]2CCN(Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC001205032643 1033219735 /nfs/dbraw/zinc/21/97/35/1033219735.db2.gz KQKSPRCKRJWIAH-UHFFFAOYSA-N 1 2 378.875 3.901 20 10 GHCDLO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141374946 1024767645 /nfs/dbraw/zinc/76/76/45/1024767645.db2.gz SOYUQCMBNWWVSH-CWSCBRNRSA-N 1 2 388.689 3.582 20 10 GHCDLO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141374946 1024767661 /nfs/dbraw/zinc/76/76/61/1024767661.db2.gz SOYUQCMBNWWVSH-CWSCBRNRSA-N 1 2 388.689 3.582 20 10 GHCDLO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139132031 1025944898 /nfs/dbraw/zinc/94/48/98/1025944898.db2.gz SPXMSOJSHHWMAF-INIZCTEOSA-N 1 2 397.471 3.853 20 10 GHCDLO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139132031 1025944902 /nfs/dbraw/zinc/94/49/02/1025944902.db2.gz SPXMSOJSHHWMAF-INIZCTEOSA-N 1 2 397.471 3.853 20 10 GHCDLO Oc1cccc(Br)c1CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001140102235 1026882178 /nfs/dbraw/zinc/88/21/78/1026882178.db2.gz MRLUVNDFONJFLQ-MRXNPFEDSA-N 1 2 389.284 3.850 20 10 GHCDLO CCc1cc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)on1 ZINC001203232508 1027241416 /nfs/dbraw/zinc/24/14/16/1027241416.db2.gz UIGAGLVEJRQRMW-UHFFFAOYSA-N 1 2 378.476 3.533 20 10 GHCDLO C[C@@H]1C[N@H+](CCSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CCO1 ZINC000840157430 1027292286 /nfs/dbraw/zinc/29/22/86/1027292286.db2.gz VDPINSADINCXMW-IEBWSBKVSA-N 1 2 387.549 3.542 20 10 GHCDLO C[C@@H]1C[N@@H+](CCSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CCO1 ZINC000840157430 1027292303 /nfs/dbraw/zinc/29/23/03/1027292303.db2.gz VDPINSADINCXMW-IEBWSBKVSA-N 1 2 387.549 3.542 20 10 GHCDLO CC(C)(C)OC(=O)N1CCCC12C[NH+](Cc1cc(Br)ccc1O)C2 ZINC001203635677 1027493669 /nfs/dbraw/zinc/49/36/69/1027493669.db2.gz COZWXIXBBALCET-UHFFFAOYSA-N 1 2 397.313 3.740 20 10 GHCDLO OC[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)C[C@@H]1c1ccc(F)cc1 ZINC001461436950 1069549831 /nfs/dbraw/zinc/54/98/31/1069549831.db2.gz SDLLIZVXKZCDSP-CRAIPNDOSA-N 1 2 398.247 3.689 20 10 GHCDLO C[NH+](C)[C@@H](CNC(=O)NCc1cccc(Cl)c1O)c1ccccc1Cl ZINC001223556790 1030635279 /nfs/dbraw/zinc/63/52/79/1030635279.db2.gz JDUVEUWJGOFGLQ-INIZCTEOSA-N 1 2 382.291 3.801 20 10 GHCDLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O)Nc1ccccc1 ZINC001461885566 1069836542 /nfs/dbraw/zinc/83/65/42/1069836542.db2.gz FUUTVOBMDAWQGW-KRWDZBQOSA-N 1 2 375.419 3.847 20 10 GHCDLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O)Nc1ccccc1 ZINC001461885566 1069836562 /nfs/dbraw/zinc/83/65/62/1069836562.db2.gz FUUTVOBMDAWQGW-KRWDZBQOSA-N 1 2 375.419 3.847 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277509971 1034544069 /nfs/dbraw/zinc/54/40/69/1034544069.db2.gz KYLHGCLHCNJUPG-MRXNPFEDSA-N 1 2 394.796 3.562 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277509971 1034544071 /nfs/dbraw/zinc/54/40/71/1034544071.db2.gz KYLHGCLHCNJUPG-MRXNPFEDSA-N 1 2 394.796 3.562 20 10 GHCDLO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)cc(Br)c2O)C1=O ZINC001277541431 1034761654 /nfs/dbraw/zinc/76/16/54/1034761654.db2.gz XERRDJNEBGBBQB-IBGZPJMESA-N 1 2 395.341 3.830 20 10 GHCDLO CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C)cc(Br)c2O)C1=O ZINC001277541431 1034761660 /nfs/dbraw/zinc/76/16/60/1034761660.db2.gz XERRDJNEBGBBQB-IBGZPJMESA-N 1 2 395.341 3.830 20 10 GHCDLO CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231638486 1034794317 /nfs/dbraw/zinc/79/43/17/1034794317.db2.gz CDVZSYBVBBNJHD-ZWKOTPCHSA-N 1 2 385.460 3.765 20 10 GHCDLO CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231638486 1034794333 /nfs/dbraw/zinc/79/43/33/1034794333.db2.gz CDVZSYBVBBNJHD-ZWKOTPCHSA-N 1 2 385.460 3.765 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001231909992 1034984120 /nfs/dbraw/zinc/98/41/20/1034984120.db2.gz ISXSIOUJMCQGFK-RXVVDRJESA-N 1 2 388.895 3.891 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001231909992 1034984123 /nfs/dbraw/zinc/98/41/23/1034984123.db2.gz ISXSIOUJMCQGFK-RXVVDRJESA-N 1 2 388.895 3.891 20 10 GHCDLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)c1 ZINC001231912847 1034987164 /nfs/dbraw/zinc/98/71/64/1034987164.db2.gz BGZHEJMSPDDWIG-OAHLLOKOSA-N 1 2 379.909 3.829 20 10 GHCDLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)c1 ZINC001231912847 1034987167 /nfs/dbraw/zinc/98/71/67/1034987167.db2.gz BGZHEJMSPDDWIG-OAHLLOKOSA-N 1 2 379.909 3.829 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001231911988 1034987186 /nfs/dbraw/zinc/98/71/86/1034987186.db2.gz VGYJJDNXLVQYNA-MISYRCLQSA-N 1 2 395.927 3.611 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001231911988 1034987188 /nfs/dbraw/zinc/98/71/88/1034987188.db2.gz VGYJJDNXLVQYNA-MISYRCLQSA-N 1 2 395.927 3.611 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCc3onc(C(=O)NC(C)C)c3C2)cc1 ZINC001209519182 1035301084 /nfs/dbraw/zinc/30/10/84/1035301084.db2.gz YEYFUJSIOOUHKV-UHFFFAOYSA-N 1 2 392.503 3.779 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCc3onc(C(=O)NC(C)C)c3C2)cc1 ZINC001209519182 1035301092 /nfs/dbraw/zinc/30/10/92/1035301092.db2.gz YEYFUJSIOOUHKV-UHFFFAOYSA-N 1 2 392.503 3.779 20 10 GHCDLO Oc1c(F)cc(Br)cc1CN1CC[NH+](Cc2cccs2)CC1 ZINC001462035987 1069960251 /nfs/dbraw/zinc/96/02/51/1069960251.db2.gz SNDMMUURBNNCOR-UHFFFAOYSA-N 1 2 385.302 3.673 20 10 GHCDLO CS(=O)(=O)c1ccc(C2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)cc1 ZINC001232264038 1037984627 /nfs/dbraw/zinc/98/46/27/1037984627.db2.gz GDDPLLPLKQQBBY-UHFFFAOYSA-N 1 2 395.908 3.534 20 10 GHCDLO CN(C)c1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c(O)c1 ZINC001232841686 1038592111 /nfs/dbraw/zinc/59/21/11/1038592111.db2.gz OKPTWQGIKSKRSH-HXUWFJFHSA-N 1 2 393.453 3.707 20 10 GHCDLO CN(C)c1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c(O)c1 ZINC001232841686 1038592117 /nfs/dbraw/zinc/59/21/17/1038592117.db2.gz OKPTWQGIKSKRSH-HXUWFJFHSA-N 1 2 393.453 3.707 20 10 GHCDLO CC1(C(=O)N2CCCC2)CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233031417 1038784483 /nfs/dbraw/zinc/78/44/83/1038784483.db2.gz DCSVZKAGTFVDBN-UHFFFAOYSA-N 1 2 399.304 3.518 20 10 GHCDLO CCOC(=O)c1c(C[N@@H+]2CCc3cnc(C4CC4)nc3C2)c2ccccc2n1C ZINC001233273587 1039041812 /nfs/dbraw/zinc/04/18/12/1039041812.db2.gz JDYCNDXFSFYSDN-UHFFFAOYSA-N 1 2 390.487 3.581 20 10 GHCDLO CCOC(=O)c1c(C[N@H+]2CCc3cnc(C4CC4)nc3C2)c2ccccc2n1C ZINC001233273587 1039041832 /nfs/dbraw/zinc/04/18/32/1039041832.db2.gz JDYCNDXFSFYSDN-UHFFFAOYSA-N 1 2 390.487 3.581 20 10 GHCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001233336236 1039138173 /nfs/dbraw/zinc/13/81/73/1039138173.db2.gz DOXGWGITVRPLKK-UHFFFAOYSA-N 1 2 388.336 3.891 20 10 GHCDLO Oc1c(C[NH+]2CC(Oc3ccc(F)c(F)c3)C2)cccc1OC(F)(F)F ZINC001233755440 1039591811 /nfs/dbraw/zinc/59/18/11/1039591811.db2.gz UQSSXYDKBAJCMA-UHFFFAOYSA-N 1 2 375.293 3.832 20 10 GHCDLO Oc1ccc(-c2nnc(Cc3cccc(Cl)c3)o2)cc1C[NH+]1CCOCC1 ZINC001254496029 1040283165 /nfs/dbraw/zinc/28/31/65/1040283165.db2.gz OVGDDJNAQZPIHP-UHFFFAOYSA-N 1 2 385.851 3.519 20 10 GHCDLO CCc1nnc(C2CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)o1 ZINC001235066773 1040556804 /nfs/dbraw/zinc/55/68/04/1040556804.db2.gz MYGMICURBZIWKU-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1cccc(F)c1I)CC2 ZINC001235165469 1040658236 /nfs/dbraw/zinc/65/82/36/1040658236.db2.gz RAMIPCPOWCIQQD-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1cccc(F)c1I)CC2 ZINC001235165469 1040658247 /nfs/dbraw/zinc/65/82/47/1040658247.db2.gz RAMIPCPOWCIQQD-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO CCc1noc([C@H]2CCC[N@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235303613 1040779541 /nfs/dbraw/zinc/77/95/41/1040779541.db2.gz PJJCRYYGKORNBH-JTQLQIEISA-N 1 2 384.249 3.619 20 10 GHCDLO CCc1noc([C@H]2CCC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235303613 1040779558 /nfs/dbraw/zinc/77/95/58/1040779558.db2.gz PJJCRYYGKORNBH-JTQLQIEISA-N 1 2 384.249 3.619 20 10 GHCDLO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C[C@H]1C ZINC001235307106 1040781270 /nfs/dbraw/zinc/78/12/70/1040781270.db2.gz KWGYTFLZLPMWLN-VXGBXAGGSA-N 1 2 388.277 3.705 20 10 GHCDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993105 1041801563 /nfs/dbraw/zinc/80/15/63/1041801563.db2.gz SMIWBQKSUGJRDE-BLVKFPJESA-N 1 2 399.318 3.634 20 10 GHCDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993105 1041801568 /nfs/dbraw/zinc/80/15/68/1041801568.db2.gz SMIWBQKSUGJRDE-BLVKFPJESA-N 1 2 399.318 3.634 20 10 GHCDLO CCOCc1noc2c1C[N@H+](Cc1cc(C)cc(Br)c1O)CC2 ZINC001236664896 1041811990 /nfs/dbraw/zinc/81/19/90/1041811990.db2.gz HCTWCOCHFIOXCN-UHFFFAOYSA-N 1 2 381.270 3.546 20 10 GHCDLO CCOCc1noc2c1C[N@@H+](Cc1cc(C)cc(Br)c1O)CC2 ZINC001236664896 1041811998 /nfs/dbraw/zinc/81/19/98/1041811998.db2.gz HCTWCOCHFIOXCN-UHFFFAOYSA-N 1 2 381.270 3.546 20 10 GHCDLO Oc1cc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)ccc1F ZINC001236713139 1041849207 /nfs/dbraw/zinc/84/92/07/1041849207.db2.gz MUMRKATWWBGSEI-UHFFFAOYSA-N 1 2 393.462 3.828 20 10 GHCDLO CCOc1cncc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001236842760 1041925867 /nfs/dbraw/zinc/92/58/67/1041925867.db2.gz HZBWWDQGDLCNBN-UHFFFAOYSA-N 1 2 381.398 3.701 20 10 GHCDLO Oc1cc(OCC(F)(F)F)ccc1CN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001237056027 1042013297 /nfs/dbraw/zinc/01/32/97/1042013297.db2.gz KRIJLLKCVUTRAF-UHFFFAOYSA-N 1 2 392.421 3.794 20 10 GHCDLO Oc1cc(OCC(F)(F)F)ccc1CN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001237056027 1042013302 /nfs/dbraw/zinc/01/33/02/1042013302.db2.gz KRIJLLKCVUTRAF-UHFFFAOYSA-N 1 2 392.421 3.794 20 10 GHCDLO COc1cc(O)c(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(Br)c1 ZINC001237058366 1042013906 /nfs/dbraw/zinc/01/39/06/1042013906.db2.gz DDPIRRYYBQEYLW-GOSISDBHSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(O)c(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(Br)c1 ZINC001237058366 1042013916 /nfs/dbraw/zinc/01/39/16/1042013916.db2.gz DDPIRRYYBQEYLW-GOSISDBHSA-N 1 2 391.309 3.652 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(Br)c1 ZINC001237058366 1042013929 /nfs/dbraw/zinc/01/39/29/1042013929.db2.gz DDPIRRYYBQEYLW-GOSISDBHSA-N 1 2 391.309 3.652 20 10 GHCDLO CN(CC1C[NH+](Cc2c(O)ccc(Cl)c2Cl)C1)C(=O)OC(C)(C)C ZINC001237077873 1042023886 /nfs/dbraw/zinc/02/38/86/1042023886.db2.gz LLDZTMOKUXCHEB-UHFFFAOYSA-N 1 2 375.296 3.998 20 10 GHCDLO COc1ccccc1C[NH+]1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237111591 1042044650 /nfs/dbraw/zinc/04/46/50/1042044650.db2.gz SSHZVGGMYGQNHS-UHFFFAOYSA-N 1 2 396.409 3.617 20 10 GHCDLO O=C1CCc2cc(N3CC[NH+](Cc4cc(C(F)(F)F)ccc4O)CC3)ccc21 ZINC001237144850 1042062538 /nfs/dbraw/zinc/06/25/38/1042062538.db2.gz ULYXONPVJUNSLX-UHFFFAOYSA-N 1 2 390.405 3.862 20 10 GHCDLO CN1CC[C@@]2(C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2c2ccccc2)C1=O ZINC001237618643 1042285521 /nfs/dbraw/zinc/28/55/21/1042285521.db2.gz KEOVMXZQDPABOW-UTKZUKDTSA-N 1 2 388.870 3.633 20 10 GHCDLO CN1CC[C@@]2(C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2c2ccccc2)C1=O ZINC001237618643 1042285525 /nfs/dbraw/zinc/28/55/25/1042285525.db2.gz KEOVMXZQDPABOW-UTKZUKDTSA-N 1 2 388.870 3.633 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001237620992 1042287075 /nfs/dbraw/zinc/28/70/75/1042287075.db2.gz ZRRZJTSFZQQJFF-LIRRHRJNSA-N 1 2 396.821 3.531 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001237620992 1042287082 /nfs/dbraw/zinc/28/70/82/1042287082.db2.gz ZRRZJTSFZQQJFF-LIRRHRJNSA-N 1 2 396.821 3.531 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1 ZINC001237621620 1042288936 /nfs/dbraw/zinc/28/89/36/1042288936.db2.gz DEKKYUSVTAPYCK-GXTWGEPZSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1 ZINC001237621620 1042288937 /nfs/dbraw/zinc/28/89/37/1042288937.db2.gz DEKKYUSVTAPYCK-GXTWGEPZSA-N 1 2 384.879 3.874 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1O ZINC001237681525 1042323110 /nfs/dbraw/zinc/32/31/10/1042323110.db2.gz ZGNNYZZMHOSNDV-IRXDYDNUSA-N 1 2 396.915 3.564 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1O ZINC001237681525 1042323118 /nfs/dbraw/zinc/32/31/18/1042323118.db2.gz ZGNNYZZMHOSNDV-IRXDYDNUSA-N 1 2 396.915 3.564 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2CCc3onc(COc4ccccn4)c3C2)c1O ZINC001237686466 1042326878 /nfs/dbraw/zinc/32/68/78/1042326878.db2.gz IZGYICHKHZGETA-UHFFFAOYSA-N 1 2 385.851 3.874 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2CCc3onc(COc4ccccn4)c3C2)c1O ZINC001237686466 1042326883 /nfs/dbraw/zinc/32/68/83/1042326883.db2.gz IZGYICHKHZGETA-UHFFFAOYSA-N 1 2 385.851 3.874 20 10 GHCDLO Oc1c(C[N@@H+]2CCCC3(COC3)C2)cc(Br)cc1C(F)(F)F ZINC001237784135 1042367429 /nfs/dbraw/zinc/36/74/29/1042367429.db2.gz QPCSEOUFHRRGEC-UHFFFAOYSA-N 1 2 380.204 3.786 20 10 GHCDLO Oc1c(C[N@H+]2CCCC3(COC3)C2)cc(Br)cc1C(F)(F)F ZINC001237784135 1042367434 /nfs/dbraw/zinc/36/74/34/1042367434.db2.gz QPCSEOUFHRRGEC-UHFFFAOYSA-N 1 2 380.204 3.786 20 10 GHCDLO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(Br)cc(C(F)(F)F)c3O)C[C@@H]12 ZINC001237786674 1042369138 /nfs/dbraw/zinc/36/91/38/1042369138.db2.gz PAULCXNDEPZRIV-BXKDBHETSA-N 1 2 392.215 3.975 20 10 GHCDLO O=C1CCC[C@@H]2C[N@H+](Cc3cc(Br)cc(C(F)(F)F)c3O)C[C@@H]12 ZINC001237786674 1042369142 /nfs/dbraw/zinc/36/91/42/1042369142.db2.gz PAULCXNDEPZRIV-BXKDBHETSA-N 1 2 392.215 3.975 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237798846 1042375613 /nfs/dbraw/zinc/37/56/13/1042375613.db2.gz BTVPKZTXZPIIGC-OXJNMPFZSA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237798846 1042375617 /nfs/dbraw/zinc/37/56/17/1042375617.db2.gz BTVPKZTXZPIIGC-OXJNMPFZSA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1cc(Cl)c(F)cc1CN1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001237937187 1042428256 /nfs/dbraw/zinc/42/82/56/1042428256.db2.gz NFEBMYBUISYEHG-LRDDRELGSA-N 1 2 381.904 3.738 20 10 GHCDLO Oc1cc(Cl)c(F)cc1CN1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001237937187 1042428260 /nfs/dbraw/zinc/42/82/60/1042428260.db2.gz NFEBMYBUISYEHG-LRDDRELGSA-N 1 2 381.904 3.738 20 10 GHCDLO C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@@H+]1CCC[C@@H](C)CC1 ZINC001307439906 1049276612 /nfs/dbraw/zinc/27/66/12/1049276612.db2.gz CHOMKCOLHLCABM-HZPDHXFCSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@H+]1CCC[C@@H](C)CC1 ZINC001307439906 1049276628 /nfs/dbraw/zinc/27/66/28/1049276628.db2.gz CHOMKCOLHLCABM-HZPDHXFCSA-N 1 2 390.483 3.911 20 10 GHCDLO COCCN(Cc1c[nH+]c(N(C)C)c2ccccc12)c1ccc(OC)c(OC)c1 ZINC001307533626 1049379270 /nfs/dbraw/zinc/37/92/70/1049379270.db2.gz JYAOGEJDABSCFT-UHFFFAOYSA-N 1 2 395.503 3.971 20 10 GHCDLO CN(C)c1ccc(/C=C/C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC001308592997 1050023495 /nfs/dbraw/zinc/02/34/95/1050023495.db2.gz YTICRPUFUPUPEB-ONEGZZNKSA-N 1 2 385.458 3.502 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]21 ZINC000757997389 1051787331 /nfs/dbraw/zinc/78/73/31/1051787331.db2.gz IYBUGQFAPMJADF-SGIREYDYSA-N 1 2 384.879 3.920 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]21 ZINC000757997389 1051787346 /nfs/dbraw/zinc/78/73/46/1051787346.db2.gz IYBUGQFAPMJADF-SGIREYDYSA-N 1 2 384.879 3.920 20 10 GHCDLO C[C@@H]1COCC[N@@H+]1CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC001472972243 1057163569 /nfs/dbraw/zinc/16/35/69/1057163569.db2.gz YIKQYXPHEMKMLH-IEBWSBKVSA-N 1 2 387.549 3.542 20 10 GHCDLO C[C@@H]1COCC[N@H+]1CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC001472972243 1057163573 /nfs/dbraw/zinc/16/35/73/1057163573.db2.gz YIKQYXPHEMKMLH-IEBWSBKVSA-N 1 2 387.549 3.542 20 10 GHCDLO C[N@@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C[C@@H]1CC=CCC1 ZINC001459809344 1064226728 /nfs/dbraw/zinc/22/67/28/1064226728.db2.gz XVHUORZJJLYWGH-MRXNPFEDSA-N 1 2 388.467 3.689 20 10 GHCDLO C[N@H+](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C[C@@H]1CC=CCC1 ZINC001459809344 1064226732 /nfs/dbraw/zinc/22/67/32/1064226732.db2.gz XVHUORZJJLYWGH-MRXNPFEDSA-N 1 2 388.467 3.689 20 10 GHCDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)(C)C1 ZINC001460705861 1069103325 /nfs/dbraw/zinc/10/33/25/1069103325.db2.gz FZONKSOISVPQAJ-CQSZACIVSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)(C)C1 ZINC001460705861 1069103334 /nfs/dbraw/zinc/10/33/34/1069103334.db2.gz FZONKSOISVPQAJ-CQSZACIVSA-N 1 2 376.456 3.521 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1O ZINC001460770084 1069167877 /nfs/dbraw/zinc/16/78/77/1069167877.db2.gz ATKQCWNWTUPSGB-MRXNPFEDSA-N 1 2 396.915 3.983 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1O ZINC001460770084 1069167883 /nfs/dbraw/zinc/16/78/83/1069167883.db2.gz ATKQCWNWTUPSGB-MRXNPFEDSA-N 1 2 396.915 3.983 20 10 GHCDLO COc1cccc(OCC[NH+]2CCN(Cc3c(O)cc(C)cc3Cl)CC2)c1 ZINC001474315004 1074338275 /nfs/dbraw/zinc/33/82/75/1074338275.db2.gz ZGLCVTZOZVQYQN-UHFFFAOYSA-N 1 2 390.911 3.559 20 10 GHCDLO COc1cccc(OCCN2CC[NH+](Cc3c(O)cc(C)cc3Cl)CC2)c1 ZINC001474315004 1074338282 /nfs/dbraw/zinc/33/82/82/1074338282.db2.gz ZGLCVTZOZVQYQN-UHFFFAOYSA-N 1 2 390.911 3.559 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCC1CSC1 ZINC001474756415 1074547309 /nfs/dbraw/zinc/54/73/09/1074547309.db2.gz FRBGHHOXGUEHJP-UHFFFAOYSA-N 1 2 381.133 3.760 20 10 GHCDLO COc1cc(OC)cc([C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)c2nccn2C)c1 ZINC000128905757 834771959 /nfs/dbraw/zinc/77/19/59/834771959.db2.gz VZKHNEZNZZLAOL-OPAMFIHVSA-N 1 2 394.519 3.944 20 10 GHCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000471584308 839681687 /nfs/dbraw/zinc/68/16/87/839681687.db2.gz GCQSZSZQVGVRJJ-UHFFFAOYSA-N 1 2 387.487 3.731 20 10 GHCDLO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756616381 840369150 /nfs/dbraw/zinc/36/91/50/840369150.db2.gz ZCMFEMNDKFCIJM-VHSXEESVSA-N 1 2 384.293 3.926 20 10 GHCDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970831 841651273 /nfs/dbraw/zinc/65/12/73/841651273.db2.gz JHRFBMSUWKDWPR-UHFFFAOYSA-N 1 2 395.415 3.843 20 10 GHCDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970831 841651280 /nfs/dbraw/zinc/65/12/80/841651280.db2.gz JHRFBMSUWKDWPR-UHFFFAOYSA-N 1 2 395.415 3.843 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCc1ccco1 ZINC000123563153 841788522 /nfs/dbraw/zinc/78/85/22/841788522.db2.gz NZTOASQYQUEOGM-UHFFFAOYSA-N 1 2 375.060 3.843 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)NCc3[nH+]cc(C)c(OC)c3C)ccc21 ZINC000728471388 846334419 /nfs/dbraw/zinc/33/44/19/846334419.db2.gz KQEOOCAZZBDXRQ-UHFFFAOYSA-N 1 2 395.503 3.855 20 10 GHCDLO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000729449259 851221100 /nfs/dbraw/zinc/22/11/00/851221100.db2.gz OVZCUEONIFRPMJ-HOTGVXAUSA-N 1 2 389.927 3.587 20 10 GHCDLO CCC(CC)(C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C(=O)OC ZINC000760870129 856220929 /nfs/dbraw/zinc/22/09/29/856220929.db2.gz PODLKIOWRNQSDT-JTQLQIEISA-N 1 2 376.266 3.924 20 10 GHCDLO CCOc1ccc(C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)c(O)c1 ZINC000761217979 859351959 /nfs/dbraw/zinc/35/19/59/859351959.db2.gz ZPQYQCKEBKRSQI-UHFFFAOYSA-N 1 2 377.488 3.788 20 10 GHCDLO CCOc1ccc(C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)c(O)c1 ZINC000761217979 859351964 /nfs/dbraw/zinc/35/19/64/859351964.db2.gz ZPQYQCKEBKRSQI-UHFFFAOYSA-N 1 2 377.488 3.788 20 10 GHCDLO COc1cc(N2CC[NH+](Cc3cscc3Cl)CC2)cc(OC)c1OC ZINC000761218887 859391736 /nfs/dbraw/zinc/39/17/36/859391736.db2.gz LFGPYMXKWCWLAC-UHFFFAOYSA-N 1 2 382.913 3.750 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922806655 860631454 /nfs/dbraw/zinc/63/14/54/860631454.db2.gz ZNXISIWCBGMNMJ-ZDUSSCGKSA-N 1 2 390.705 3.626 20 10 GHCDLO COc1cc(N2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)cc(OC)c1OC ZINC000183697059 867288099 /nfs/dbraw/zinc/28/80/99/867288099.db2.gz BRIMRCNIGFRNEF-CQSZACIVSA-N 1 2 392.446 3.874 20 10 GHCDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001170442453 882554617 /nfs/dbraw/zinc/55/46/17/882554617.db2.gz DXOFXXRRFVPPGY-LJQANCHMSA-N 1 2 393.325 3.689 20 10 GHCDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001170442453 882554630 /nfs/dbraw/zinc/55/46/30/882554630.db2.gz DXOFXXRRFVPPGY-LJQANCHMSA-N 1 2 393.325 3.689 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000857874819 882603180 /nfs/dbraw/zinc/60/31/80/882603180.db2.gz RVIVKZFIVPXGJO-QVKFZJNVSA-N 1 2 399.922 3.541 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1O)C[C@H]1CCCO1 ZINC000775664173 872507425 /nfs/dbraw/zinc/50/74/25/872507425.db2.gz UTHHCKKUZKBFBS-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO CC[N@H+](Cc1cc(Br)cc(Br)c1O)C[C@H]1CCCO1 ZINC000775664173 872507433 /nfs/dbraw/zinc/50/74/33/872507433.db2.gz UTHHCKKUZKBFBS-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)cc1 ZINC001195875998 872731803 /nfs/dbraw/zinc/73/18/03/872731803.db2.gz DJQSUYRGIFMVQE-UHFFFAOYSA-N 1 2 389.499 3.687 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)cc1 ZINC001195875998 872731815 /nfs/dbraw/zinc/73/18/15/872731815.db2.gz DJQSUYRGIFMVQE-UHFFFAOYSA-N 1 2 389.499 3.687 20 10 GHCDLO CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1O)C[C@H](C)O ZINC000775680208 872811303 /nfs/dbraw/zinc/81/13/03/872811303.db2.gz DEVCEAVSYGPJEU-VIFPVBQESA-N 1 2 381.108 3.508 20 10 GHCDLO CC(C)[N@H+](Cc1cc(Br)cc(Br)c1O)C[C@H](C)O ZINC000775680208 872811307 /nfs/dbraw/zinc/81/13/07/872811307.db2.gz DEVCEAVSYGPJEU-VIFPVBQESA-N 1 2 381.108 3.508 20 10 GHCDLO Cc1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(C)c[nH+]1 ZINC000767949850 872980677 /nfs/dbraw/zinc/98/06/77/872980677.db2.gz NGDQIBUXBDHAQS-HNNXBMFYSA-N 1 2 390.434 3.512 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775716114 873103294 /nfs/dbraw/zinc/10/32/94/873103294.db2.gz PXSTYLKSOXPRTK-GOSISDBHSA-N 1 2 386.879 3.974 20 10 GHCDLO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775716114 873103302 /nfs/dbraw/zinc/10/33/02/873103302.db2.gz PXSTYLKSOXPRTK-GOSISDBHSA-N 1 2 386.879 3.974 20 10 GHCDLO O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001197174284 873637816 /nfs/dbraw/zinc/63/78/16/873637816.db2.gz NTRMYNDQKHFXOT-XJUMHSELSA-N 1 2 384.505 3.961 20 10 GHCDLO O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC001197174284 873637825 /nfs/dbraw/zinc/63/78/25/873637825.db2.gz NTRMYNDQKHFXOT-XJUMHSELSA-N 1 2 384.505 3.961 20 10 GHCDLO CC(=O)c1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000771059048 875015672 /nfs/dbraw/zinc/01/56/72/875015672.db2.gz PFBARSSBMNVVER-LJQANCHMSA-N 1 2 386.879 3.643 20 10 GHCDLO CC(=O)c1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000771059048 875015680 /nfs/dbraw/zinc/01/56/80/875015680.db2.gz PFBARSSBMNVVER-LJQANCHMSA-N 1 2 386.879 3.643 20 10 GHCDLO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776257640 876052254 /nfs/dbraw/zinc/05/22/54/876052254.db2.gz ZLYSCUIDTUASLH-NOZJJQNGSA-N 1 2 393.119 3.822 20 10 GHCDLO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000776256954 876064207 /nfs/dbraw/zinc/06/42/07/876064207.db2.gz UQKSIOJUXVWWIT-ZJUUUORDSA-N 1 2 393.119 3.822 20 10 GHCDLO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000529640670 876431297 /nfs/dbraw/zinc/43/12/97/876431297.db2.gz CPVWHKJVIMHBKY-LKFCYVNXSA-N 1 2 391.103 3.574 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001202475280 876440010 /nfs/dbraw/zinc/44/00/10/876440010.db2.gz RPLKOCOHOBWYKG-UHFFFAOYSA-N 1 2 379.151 3.997 20 10 GHCDLO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cc(Br)cc(F)c1O ZINC000786936608 877066445 /nfs/dbraw/zinc/06/64/45/877066445.db2.gz GMBTXTDAOWSUJM-LLVKDONJSA-N 1 2 391.244 3.725 20 10 GHCDLO CCS[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000121706964 877672332 /nfs/dbraw/zinc/67/23/32/877672332.db2.gz SYNYFNSPPVMNFG-OAHLLOKOSA-N 1 2 376.526 3.605 20 10 GHCDLO CCS[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000121706964 877672338 /nfs/dbraw/zinc/67/23/38/877672338.db2.gz SYNYFNSPPVMNFG-OAHLLOKOSA-N 1 2 376.526 3.605 20 10 GHCDLO CC(C)c1cccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000853001248 878745587 /nfs/dbraw/zinc/74/55/87/878745587.db2.gz XVLIERYAZSTFBA-NBVRZTHBSA-N 1 2 390.574 3.734 20 10 GHCDLO C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(N(C)C)cc1 ZINC000789213373 878746885 /nfs/dbraw/zinc/74/68/85/878746885.db2.gz PDPRDUGPVAYZSQ-QGZVFWFLSA-N 1 2 395.551 3.936 20 10 GHCDLO O=C(NCC[NH+]1Cc2ccccc2C1)NCc1cc(Cl)cc(Cl)c1O ZINC000805016020 883533920 /nfs/dbraw/zinc/53/39/20/883533920.db2.gz HGYWQVQVWBVQKF-UHFFFAOYSA-N 1 2 380.275 3.514 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1O ZINC000859580593 883912644 /nfs/dbraw/zinc/91/26/44/883912644.db2.gz SVVFWJBBJZCJAR-QFIPXVFZSA-N 1 2 383.419 3.734 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1O ZINC000859580593 883912655 /nfs/dbraw/zinc/91/26/55/883912655.db2.gz SVVFWJBBJZCJAR-QFIPXVFZSA-N 1 2 383.419 3.734 20 10 GHCDLO CC[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1O ZINC000806140311 884400441 /nfs/dbraw/zinc/40/04/41/884400441.db2.gz JFIUAPBWXDFWHU-QFBILLFUSA-N 1 2 388.943 3.692 20 10 GHCDLO CC[C@@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cccc(Cl)c1O ZINC000806140244 884402032 /nfs/dbraw/zinc/40/20/32/884402032.db2.gz HZAVSQQHHQEAHY-MJGOQNOKSA-N 1 2 385.895 3.925 20 10 GHCDLO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1cc(Br)cc(Cl)c1O ZINC000808728930 886744584 /nfs/dbraw/zinc/74/45/84/886744584.db2.gz HEQKTXUQLBHGBR-UNLTUULFSA-N 1 2 398.684 3.953 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1O ZINC000287304409 913249562 /nfs/dbraw/zinc/24/95/62/913249562.db2.gz CNVHVYVFFHEDNZ-QGZVFWFLSA-N 1 2 379.863 3.657 20 10 GHCDLO CC(=O)Nc1cccc(NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000123024543 890280998 /nfs/dbraw/zinc/28/09/98/890280998.db2.gz PSBANMUKEKODDO-UHFFFAOYSA-N 1 2 393.443 3.585 20 10 GHCDLO CC(=O)Nc1cccc(NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000123024543 890281006 /nfs/dbraw/zinc/28/10/06/890281006.db2.gz PSBANMUKEKODDO-UHFFFAOYSA-N 1 2 393.443 3.585 20 10 GHCDLO Cc1ccccc1CN(C)C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000123404542 890586296 /nfs/dbraw/zinc/58/62/96/890586296.db2.gz IPNWGBJPUWMAAV-UHFFFAOYSA-N 1 2 378.472 3.954 20 10 GHCDLO Cc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000123404542 890586308 /nfs/dbraw/zinc/58/63/08/890586308.db2.gz IPNWGBJPUWMAAV-UHFFFAOYSA-N 1 2 378.472 3.954 20 10 GHCDLO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1O ZINC000287738984 913513997 /nfs/dbraw/zinc/51/39/97/913513997.db2.gz POOBXHZWXKMEFP-GOSISDBHSA-N 1 2 394.924 3.826 20 10 GHCDLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1c(O)ccc2c1CCCC2 ZINC000816938974 895225550 /nfs/dbraw/zinc/22/55/50/895225550.db2.gz PJRPYOYIZXBPFB-LJQANCHMSA-N 1 2 375.472 3.833 20 10 GHCDLO CO[C@H](C)c1nc(C[NH2+]Cc2cc(Br)cc(F)c2O)cs1 ZINC000883032632 897218025 /nfs/dbraw/zinc/21/80/25/897218025.db2.gz PHIGOQCHWWWOJK-MRVPVSSYSA-N 1 2 375.263 3.748 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000883136196 897313606 /nfs/dbraw/zinc/31/36/06/897313606.db2.gz XBZZJIGLRLKWID-GDBMZVCRSA-N 1 2 381.245 3.699 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc4ccccc4nc3OC)CC2)c(OC)c1 ZINC001137208125 899833694 /nfs/dbraw/zinc/83/36/94/899833694.db2.gz OHKFSAQCIRVKGV-UHFFFAOYSA-N 1 2 393.487 3.583 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000824861005 899842079 /nfs/dbraw/zinc/84/20/79/899842079.db2.gz CUURSYBGOFLHRW-CQSZACIVSA-N 1 2 379.737 3.907 20 10 GHCDLO CN(c1ccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)cc1)C1CCCCC1 ZINC000845312200 902064849 /nfs/dbraw/zinc/06/48/49/902064849.db2.gz OAUJEGMOFCEARH-UHFFFAOYSA-N 1 2 380.536 3.847 20 10 GHCDLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000269127922 910151988 /nfs/dbraw/zinc/15/19/88/910151988.db2.gz YUMSMRDOVQIUOQ-UONOGXRCSA-N 1 2 379.501 3.677 20 10 GHCDLO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 ZINC000092589703 911636305 /nfs/dbraw/zinc/63/63/05/911636305.db2.gz VLOPTVOJKWIVBT-UHFFFAOYSA-N 1 2 392.858 3.541 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2cc(Br)cn2C)c1O ZINC000758823698 930182101 /nfs/dbraw/zinc/18/21/01/930182101.db2.gz VMLLPPMICOBLKV-UHFFFAOYSA-N 1 2 385.689 3.981 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2cc(Br)cn2C)c1O ZINC000758823698 930182105 /nfs/dbraw/zinc/18/21/05/930182105.db2.gz VMLLPPMICOBLKV-UHFFFAOYSA-N 1 2 385.689 3.981 20 10 GHCDLO COc1cccc2c(NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc[nH+]c12 ZINC000780529991 930542304 /nfs/dbraw/zinc/54/23/04/930542304.db2.gz PZRVDESMGVMRRY-QGZVFWFLSA-N 1 2 390.487 3.557 20 10 GHCDLO CN(C)c1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1F ZINC000780904048 930634194 /nfs/dbraw/zinc/63/41/94/930634194.db2.gz MBPPHBXVRLEECH-UHFFFAOYSA-N 1 2 378.495 3.889 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000781896636 931015523 /nfs/dbraw/zinc/01/55/23/931015523.db2.gz LVIFYOWSGUCGOY-UHFFFAOYSA-N 1 2 399.329 3.906 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000781896636 931015533 /nfs/dbraw/zinc/01/55/33/931015533.db2.gz LVIFYOWSGUCGOY-UHFFFAOYSA-N 1 2 399.329 3.906 20 10 GHCDLO CC[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)[C@@H](CC)CN1C(C)=O ZINC000781913346 931025541 /nfs/dbraw/zinc/02/55/41/931025541.db2.gz SJADREJMDFHSGK-JKSUJKDBSA-N 1 2 383.330 3.684 20 10 GHCDLO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)[C@@H](CC)CN1C(C)=O ZINC000781913346 931025550 /nfs/dbraw/zinc/02/55/50/931025550.db2.gz SJADREJMDFHSGK-JKSUJKDBSA-N 1 2 383.330 3.684 20 10 GHCDLO O=C(C[NH+]1CCC2(COC(=O)N2)CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000784468924 931905921 /nfs/dbraw/zinc/90/59/21/931905921.db2.gz JRBWFEWHGXHHGL-UHFFFAOYSA-N 1 2 393.447 3.615 20 10 GHCDLO CO[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@H]1C ZINC000784668409 931971898 /nfs/dbraw/zinc/97/18/98/931971898.db2.gz OVAFKKBTHIVAKI-NOZJJQNGSA-N 1 2 393.119 3.774 20 10 GHCDLO CO[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@H]1C ZINC000784668409 931971905 /nfs/dbraw/zinc/97/19/05/931971905.db2.gz OVAFKKBTHIVAKI-NOZJJQNGSA-N 1 2 393.119 3.774 20 10 GHCDLO CO[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CC[C@H]1C ZINC000784668414 931972017 /nfs/dbraw/zinc/97/20/17/931972017.db2.gz OVAFKKBTHIVAKI-RNCFNFMXSA-N 1 2 393.119 3.774 20 10 GHCDLO CO[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CC[C@H]1C ZINC000784668414 931972024 /nfs/dbraw/zinc/97/20/24/931972024.db2.gz OVAFKKBTHIVAKI-RNCFNFMXSA-N 1 2 393.119 3.774 20 10 GHCDLO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277231852 1032516725 /nfs/dbraw/zinc/51/67/25/1032516725.db2.gz GKUKNKTXMJPSTE-INIZCTEOSA-N 1 2 376.806 3.565 20 10 GHCDLO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277231852 1032516729 /nfs/dbraw/zinc/51/67/29/1032516729.db2.gz GKUKNKTXMJPSTE-INIZCTEOSA-N 1 2 376.806 3.565 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(O)cc2O)[C@@H](c2cccs2)C1 ZINC001204281533 1032723513 /nfs/dbraw/zinc/72/35/13/1032723513.db2.gz UTXXLOFUNYHUJR-MRXNPFEDSA-N 1 2 390.505 3.953 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(O)cc2O)[C@@H](c2cccs2)C1 ZINC001204281533 1032723527 /nfs/dbraw/zinc/72/35/27/1032723527.db2.gz UTXXLOFUNYHUJR-MRXNPFEDSA-N 1 2 390.505 3.953 20 10 GHCDLO OC1CCN(c2ccc(C[NH+](Cc3ccccn3)Cc3ccccn3)cc2)CC1 ZINC001140281440 1021309886 /nfs/dbraw/zinc/30/98/86/1021309886.db2.gz GIESCDYBENEMHS-UHFFFAOYSA-N 1 2 388.515 3.640 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2c(O)cccc2Cl)C2COC2)CC1 ZINC001140341398 1021452494 /nfs/dbraw/zinc/45/24/94/1021452494.db2.gz MKWUDZZXIMCNCJ-UHFFFAOYSA-N 1 2 396.915 3.646 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2c(O)cccc2Cl)C2COC2)CC1 ZINC001140341398 1021452499 /nfs/dbraw/zinc/45/24/99/1021452499.db2.gz MKWUDZZXIMCNCJ-UHFFFAOYSA-N 1 2 396.915 3.646 20 10 GHCDLO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(Cl)c1O ZINC000834882329 1021607334 /nfs/dbraw/zinc/60/73/34/1021607334.db2.gz NPEYGISQWOXJOV-KRWDZBQOSA-N 1 2 382.913 3.537 20 10 GHCDLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(C(F)(F)F)c1O ZINC000834884419 1021612556 /nfs/dbraw/zinc/61/25/56/1021612556.db2.gz LMBYDIGQLRPWLR-QMMMGPOBSA-N 1 2 378.192 3.758 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1cc(Br)cc(F)c1O ZINC000834896782 1021639190 /nfs/dbraw/zinc/63/91/90/1021639190.db2.gz CRVWGNUTJKYREX-PKWAYOAASA-N 1 2 398.276 3.598 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140925491 1022902297 /nfs/dbraw/zinc/90/22/97/1022902297.db2.gz BXSHAPVSQLWPSC-IBGZPJMESA-N 1 2 385.911 3.845 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140925491 1022902303 /nfs/dbraw/zinc/90/23/03/1022902303.db2.gz BXSHAPVSQLWPSC-IBGZPJMESA-N 1 2 385.911 3.845 20 10 GHCDLO c1nc(COCC2CC2)c2n1CC[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141077641 1023442197 /nfs/dbraw/zinc/44/21/97/1023442197.db2.gz VFKSOYLVKYIFHU-UHFFFAOYSA-N 1 2 392.547 3.524 20 10 GHCDLO c1nc(COCC2CC2)c2n1CC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141077641 1023442203 /nfs/dbraw/zinc/44/22/03/1023442203.db2.gz VFKSOYLVKYIFHU-UHFFFAOYSA-N 1 2 392.547 3.524 20 10 GHCDLO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756420804 1023639133 /nfs/dbraw/zinc/63/91/33/1023639133.db2.gz WVTUCNDBULSXST-SECBINFHSA-N 1 2 387.215 3.829 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(Br)cc(F)c1O ZINC000756455484 1023660485 /nfs/dbraw/zinc/66/04/85/1023660485.db2.gz DAJGDULGFAWWMW-OCCSQVGLSA-N 1 2 382.273 3.796 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(F)cc(F)c1O ZINC000756474516 1023674205 /nfs/dbraw/zinc/67/42/05/1023674205.db2.gz JAAHMXIHZAAKND-DJJJIMSYSA-N 1 2 380.410 3.534 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Br)c(F)cc1O ZINC000756764379 1023805607 /nfs/dbraw/zinc/80/56/07/1023805607.db2.gz HYPJFOIAWUAKSW-NWDGAFQWSA-N 1 2 388.277 3.673 20 10 GHCDLO CCN(C(=O)C1=CC(=O)CS1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000828477611 1023949222 /nfs/dbraw/zinc/94/92/22/1023949222.db2.gz FXAMVTGFAIHJIV-UHFFFAOYSA-N 1 2 388.537 3.807 20 10 GHCDLO Cc1ccnc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1Br ZINC001205033967 1033221353 /nfs/dbraw/zinc/22/13/53/1033221353.db2.gz ZZGHRRSVCGUGTP-UHFFFAOYSA-N 1 2 390.325 3.621 20 10 GHCDLO Cc1ccnc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1Br ZINC001205033967 1033221365 /nfs/dbraw/zinc/22/13/65/1033221365.db2.gz ZZGHRRSVCGUGTP-UHFFFAOYSA-N 1 2 390.325 3.621 20 10 GHCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC001138392096 1024769312 /nfs/dbraw/zinc/76/93/12/1024769312.db2.gz QBKWCUKCWSDVKI-UHFFFAOYSA-N 1 2 395.547 3.808 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001139128836 1025940504 /nfs/dbraw/zinc/94/05/04/1025940504.db2.gz GEOLCBSTNJZIFE-UHFFFAOYSA-N 1 2 387.439 3.551 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001139128836 1025940507 /nfs/dbraw/zinc/94/05/07/1025940507.db2.gz GEOLCBSTNJZIFE-UHFFFAOYSA-N 1 2 387.439 3.551 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC2(CC(OCc3ccccc3)C2)C1 ZINC001139132373 1025944311 /nfs/dbraw/zinc/94/43/11/1025944311.db2.gz VUVRGSVLLJPBOC-UHFFFAOYSA-N 1 2 391.467 3.988 20 10 GHCDLO COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139133599 1025946607 /nfs/dbraw/zinc/94/66/07/1025946607.db2.gz IVIRDBQCTMEDMQ-INIZCTEOSA-N 1 2 395.455 3.761 20 10 GHCDLO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139133599 1025946620 /nfs/dbraw/zinc/94/66/20/1025946620.db2.gz IVIRDBQCTMEDMQ-INIZCTEOSA-N 1 2 395.455 3.761 20 10 GHCDLO COC(=O)c1c(C)cc(C)[nH+]c1N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001166815979 1027092962 /nfs/dbraw/zinc/09/29/62/1027092962.db2.gz NTXIPGMCRUORTJ-UHFFFAOYSA-N 1 2 379.460 3.548 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C1 ZINC001166818917 1027095293 /nfs/dbraw/zinc/09/52/93/1027095293.db2.gz YOCCCQJTZIFUBL-MRXNPFEDSA-N 1 2 391.519 3.776 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)C1 ZINC001166818917 1027095306 /nfs/dbraw/zinc/09/53/06/1027095306.db2.gz YOCCCQJTZIFUBL-MRXNPFEDSA-N 1 2 391.519 3.776 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCC1(F)F ZINC001203664690 1027515662 /nfs/dbraw/zinc/51/56/62/1027515662.db2.gz QADYFFJFFHOFNF-CQSZACIVSA-N 1 2 376.831 3.780 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)Cc2nnn(CC3CC3)c21 ZINC001203940005 1027733230 /nfs/dbraw/zinc/73/32/30/1027733230.db2.gz HQOVPPKYPVFRAT-FQEVSTJZSA-N 1 2 397.567 3.670 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)Cc2nnn(CC3CC3)c21 ZINC001203940005 1027733246 /nfs/dbraw/zinc/73/32/46/1027733246.db2.gz HQOVPPKYPVFRAT-FQEVSTJZSA-N 1 2 397.567 3.670 20 10 GHCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001142530498 1029034109 /nfs/dbraw/zinc/03/41/09/1029034109.db2.gz IGOJCFQOAIHQTK-UHFFFAOYSA-N 1 2 388.336 3.891 20 10 GHCDLO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001217988545 1030707293 /nfs/dbraw/zinc/70/72/93/1030707293.db2.gz OMZRUSNIYMXUQS-DYVFJYSZSA-N 1 2 381.428 3.638 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224263290 1030946867 /nfs/dbraw/zinc/94/68/67/1030946867.db2.gz RAUFOHAYNXRPAX-WFASDCNBSA-N 1 2 377.257 3.935 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224263290 1030946869 /nfs/dbraw/zinc/94/68/69/1030946869.db2.gz RAUFOHAYNXRPAX-WFASDCNBSA-N 1 2 377.257 3.935 20 10 GHCDLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1O)Nc1ccccc1 ZINC001461885437 1069836278 /nfs/dbraw/zinc/83/62/78/1069836278.db2.gz DYYMLTLZGUDBGR-MRXNPFEDSA-N 1 2 375.419 3.847 20 10 GHCDLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1O)Nc1ccccc1 ZINC001461885437 1069836303 /nfs/dbraw/zinc/83/63/03/1069836303.db2.gz DYYMLTLZGUDBGR-MRXNPFEDSA-N 1 2 375.419 3.847 20 10 GHCDLO CC1=CC(=O)C=C(OC[C@@H]2C[N@H+](C)CCO2)C1=NNc1ccc([N+](=O)[O-])cc1 ZINC001231292417 1034505618 /nfs/dbraw/zinc/50/56/18/1034505618.db2.gz VWEYNRLMCXPSKW-UAFUQJIBSA-N 1 2 386.408 3.734 20 10 GHCDLO CC1=CC(=O)C=C(OC[C@@H]2C[N@@H+](C)CCO2)C1=NNc1ccc([N+](=O)[O-])cc1 ZINC001231292417 1034505635 /nfs/dbraw/zinc/50/56/35/1034505635.db2.gz VWEYNRLMCXPSKW-UAFUQJIBSA-N 1 2 386.408 3.734 20 10 GHCDLO COC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)Cc2nn(CC3CC3)cc21 ZINC001231868581 1034955277 /nfs/dbraw/zinc/95/52/77/1034955277.db2.gz UVBKCJWWBXRREQ-INIZCTEOSA-N 1 2 375.900 3.706 20 10 GHCDLO COC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)Cc2nn(CC3CC3)cc21 ZINC001231868581 1034955283 /nfs/dbraw/zinc/95/52/83/1034955283.db2.gz UVBKCJWWBXRREQ-INIZCTEOSA-N 1 2 375.900 3.706 20 10 GHCDLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccc(Cl)c2O)n1 ZINC001231910105 1034984441 /nfs/dbraw/zinc/98/44/41/1034984441.db2.gz LAVGTHNTXFSUEZ-QKNQBKEWSA-N 1 2 388.895 3.698 20 10 GHCDLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccc(Cl)c2O)n1 ZINC001231910105 1034984447 /nfs/dbraw/zinc/98/44/47/1034984447.db2.gz LAVGTHNTXFSUEZ-QKNQBKEWSA-N 1 2 388.895 3.698 20 10 GHCDLO Cc1nc(C[N@@H+]2CCc3c(Cl)c(O)c(O)cc3[C@H](c3ccc(O)cc3)C2)c[nH]1 ZINC001232465223 1038249390 /nfs/dbraw/zinc/24/93/90/1038249390.db2.gz YUUAOPVNUUDGLZ-SFHVURJKSA-N 1 2 399.878 3.679 20 10 GHCDLO Cc1nc(C[N@H+]2CCc3c(Cl)c(O)c(O)cc3[C@H](c3ccc(O)cc3)C2)c[nH]1 ZINC001232465223 1038249397 /nfs/dbraw/zinc/24/93/97/1038249397.db2.gz YUUAOPVNUUDGLZ-SFHVURJKSA-N 1 2 399.878 3.679 20 10 GHCDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(I)cc1O)C2 ZINC001232974418 1038745636 /nfs/dbraw/zinc/74/56/36/1038745636.db2.gz NKUCDQXGUAMNIF-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc(I)cc1O)C2 ZINC001232974418 1038745644 /nfs/dbraw/zinc/74/56/44/1038745644.db2.gz NKUCDQXGUAMNIF-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO CC(C)N1CCC2(CC[NH+](Cc3c(O)cc(Br)cc3F)CC2)C1=O ZINC001233033941 1038788902 /nfs/dbraw/zinc/78/89/02/1038788902.db2.gz YVNSTBJKTDHIFK-UHFFFAOYSA-N 1 2 399.304 3.517 20 10 GHCDLO O=C1OC[C@@H](c2ccccc2)N1C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC001233074705 1038838601 /nfs/dbraw/zinc/83/86/01/1038838601.db2.gz TWPQXFXOZZWTOM-SFHVURJKSA-N 1 2 388.414 3.828 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3cccc(C(F)(F)F)c3O)C2)C1 ZINC001233416769 1039272122 /nfs/dbraw/zinc/27/21/22/1039272122.db2.gz VRRGIUBVGRDPEU-UHFFFAOYSA-N 1 2 386.414 3.854 20 10 GHCDLO O=C(Cc1ccccc1)N1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233419390 1039279554 /nfs/dbraw/zinc/27/95/54/1039279554.db2.gz WKQFPZIWEUCJIJ-UHFFFAOYSA-N 1 2 392.421 3.688 20 10 GHCDLO O=C(Cc1ccccc1)N1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233419390 1039279565 /nfs/dbraw/zinc/27/95/65/1039279565.db2.gz WKQFPZIWEUCJIJ-UHFFFAOYSA-N 1 2 392.421 3.688 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001235064034 1040551748 /nfs/dbraw/zinc/55/17/48/1040551748.db2.gz DFEJITFVNWSDGV-UHFFFAOYSA-N 1 2 398.247 3.917 20 10 GHCDLO COc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235066171 1040555102 /nfs/dbraw/zinc/55/51/02/1040555102.db2.gz XXZATYSEFNVPJQ-CQSZACIVSA-N 1 2 396.256 3.956 20 10 GHCDLO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235066171 1040555119 /nfs/dbraw/zinc/55/51/19/1040555119.db2.gz XXZATYSEFNVPJQ-CQSZACIVSA-N 1 2 396.256 3.956 20 10 GHCDLO CCOC(=O)CCC1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235300919 1040770805 /nfs/dbraw/zinc/77/08/05/1040770805.db2.gz CLZKCAUBHRVNNU-UHFFFAOYSA-N 1 2 388.277 3.849 20 10 GHCDLO Cc1cc(F)ccc1N1CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236762891 1041877508 /nfs/dbraw/zinc/87/75/08/1041877508.db2.gz SJXPDGGBQBPIFF-UHFFFAOYSA-N 1 2 395.272 3.630 20 10 GHCDLO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c(O)c1Cl ZINC001236802091 1041903776 /nfs/dbraw/zinc/90/37/76/1041903776.db2.gz OHXVNIOIQZDMEB-ZDUSSCGKSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c(O)c1Cl ZINC001236802091 1041903778 /nfs/dbraw/zinc/90/37/78/1041903778.db2.gz OHXVNIOIQZDMEB-ZDUSSCGKSA-N 1 2 384.904 3.886 20 10 GHCDLO CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001236813260 1041911960 /nfs/dbraw/zinc/91/19/60/1041911960.db2.gz KXQYVEFPYHQWCV-INIZCTEOSA-N 1 2 383.916 3.709 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001237078956 1042024704 /nfs/dbraw/zinc/02/47/04/1042024704.db2.gz DVPRSYXMACHTHK-UHFFFAOYSA-N 1 2 381.307 3.507 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001237080062 1042025956 /nfs/dbraw/zinc/02/59/56/1042025956.db2.gz RJBBFHXPRZSYJD-GASCZTMLSA-N 1 2 378.303 3.658 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001237080062 1042025961 /nfs/dbraw/zinc/02/59/61/1042025961.db2.gz RJBBFHXPRZSYJD-GASCZTMLSA-N 1 2 378.303 3.658 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)Cc2cn(CC3CC3)nc21 ZINC001237120464 1042048445 /nfs/dbraw/zinc/04/84/45/1042048445.db2.gz DQERLHHSAYLZJR-HNNXBMFYSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)Cc2cn(CC3CC3)nc21 ZINC001237120464 1042048452 /nfs/dbraw/zinc/04/84/52/1042048452.db2.gz DQERLHHSAYLZJR-HNNXBMFYSA-N 1 2 393.890 3.927 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001237121046 1042048906 /nfs/dbraw/zinc/04/89/06/1042048906.db2.gz IJLZQXMVBHVZMR-QANKJYHBSA-N 1 2 392.858 3.638 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001237121046 1042048908 /nfs/dbraw/zinc/04/89/08/1042048908.db2.gz IJLZQXMVBHVZMR-QANKJYHBSA-N 1 2 392.858 3.638 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)cc1 ZINC001237131738 1042055991 /nfs/dbraw/zinc/05/59/91/1042055991.db2.gz WXSVEKCQVAHLGC-UHFFFAOYSA-N 1 2 394.874 3.532 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(O)c(C)cc3Br)CC2)cc1 ZINC001237294032 1042128330 /nfs/dbraw/zinc/12/83/30/1042128330.db2.gz FFQZHXSLYHYVLE-UHFFFAOYSA-N 1 2 391.309 3.794 20 10 GHCDLO CCn1nnc2c1CC[N@H+](Cc1c(C)cccc1O)[C@H]2COCc1ccccc1 ZINC001237487294 1042230572 /nfs/dbraw/zinc/23/05/72/1042230572.db2.gz XQKWWTCGFROQAQ-NRFANRHFSA-N 1 2 392.503 3.628 20 10 GHCDLO CCn1nnc2c1CC[N@@H+](Cc1c(C)cccc1O)[C@H]2COCc1ccccc1 ZINC001237487294 1042230575 /nfs/dbraw/zinc/23/05/75/1042230575.db2.gz XQKWWTCGFROQAQ-NRFANRHFSA-N 1 2 392.503 3.628 20 10 GHCDLO C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@H]1O ZINC001237784065 1042367111 /nfs/dbraw/zinc/36/71/11/1042367111.db2.gz PEUTYPBTNFUGOV-NOZJJQNGSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@H]1O ZINC001237784065 1042367115 /nfs/dbraw/zinc/36/71/15/1042367115.db2.gz PEUTYPBTNFUGOV-NOZJJQNGSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C[C@@]1(C)O ZINC001237783475 1042367642 /nfs/dbraw/zinc/36/76/42/1042367642.db2.gz INRXZDQWUPHUJP-YMTOWFKASA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C[C@@]1(C)O ZINC001237783475 1042367646 /nfs/dbraw/zinc/36/76/46/1042367646.db2.gz INRXZDQWUPHUJP-YMTOWFKASA-N 1 2 382.220 3.766 20 10 GHCDLO OCC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237791596 1042372052 /nfs/dbraw/zinc/37/20/52/1042372052.db2.gz KGCJOHVWUKHSTO-SNVBAGLBSA-N 1 2 382.220 3.768 20 10 GHCDLO CCOC(=O)CC[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237792226 1042372519 /nfs/dbraw/zinc/37/25/19/1042372519.db2.gz QNLAVFPJGYDKGL-UHFFFAOYSA-N 1 2 384.192 3.559 20 10 GHCDLO CCOC(=O)CC[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237792226 1042372523 /nfs/dbraw/zinc/37/25/23/1042372523.db2.gz QNLAVFPJGYDKGL-UHFFFAOYSA-N 1 2 384.192 3.559 20 10 GHCDLO O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237802125 1042378130 /nfs/dbraw/zinc/37/81/30/1042378130.db2.gz LBAAVZKMWAXDTJ-HNNXBMFYSA-N 1 2 375.831 3.807 20 10 GHCDLO O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237802125 1042378136 /nfs/dbraw/zinc/37/81/36/1042378136.db2.gz LBAAVZKMWAXDTJ-HNNXBMFYSA-N 1 2 375.831 3.807 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001237801963 1042378148 /nfs/dbraw/zinc/37/81/48/1042378148.db2.gz YDBQTGODTGAQOK-UHFFFAOYSA-N 1 2 384.842 3.638 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001237801963 1042378152 /nfs/dbraw/zinc/37/81/52/1042378152.db2.gz YDBQTGODTGAQOK-UHFFFAOYSA-N 1 2 384.842 3.638 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)Cc2cnn(CC3CC3)c21 ZINC001237936701 1042428239 /nfs/dbraw/zinc/42/82/39/1042428239.db2.gz LIWMYUHJBOGARX-INIZCTEOSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)Cc2cnn(CC3CC3)c21 ZINC001237936701 1042428242 /nfs/dbraw/zinc/42/82/42/1042428242.db2.gz LIWMYUHJBOGARX-INIZCTEOSA-N 1 2 393.890 3.927 20 10 GHCDLO O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CC[NH2+]C[C@H]1C(F)(F)F ZINC001239170928 1042778620 /nfs/dbraw/zinc/77/86/20/1042778620.db2.gz QAQZNMRNABUYKI-LSJZCYCUSA-N 1 2 398.410 3.627 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279663716 1047904095 /nfs/dbraw/zinc/90/40/95/1047904095.db2.gz BVJANVDKZLWAPD-LJQANCHMSA-N 1 2 395.334 3.910 20 10 GHCDLO Oc1cc(Cl)c(Cl)cc1CN1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279663716 1047904101 /nfs/dbraw/zinc/90/41/01/1047904101.db2.gz BVJANVDKZLWAPD-LJQANCHMSA-N 1 2 395.334 3.910 20 10 GHCDLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001279686332 1047915085 /nfs/dbraw/zinc/91/50/85/1047915085.db2.gz VMIOLODXBQCQGW-UHFFFAOYSA-N 1 2 383.439 3.636 20 10 GHCDLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001279686332 1047915088 /nfs/dbraw/zinc/91/50/88/1047915088.db2.gz VMIOLODXBQCQGW-UHFFFAOYSA-N 1 2 383.439 3.636 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c1O ZINC001279700286 1047923212 /nfs/dbraw/zinc/92/32/12/1047923212.db2.gz YJLLWLNKJWGMBP-HDICACEKSA-N 1 2 390.325 3.640 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c1O ZINC001279700286 1047923215 /nfs/dbraw/zinc/92/32/15/1047923215.db2.gz YJLLWLNKJWGMBP-HDICACEKSA-N 1 2 390.325 3.640 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1ncccc1Br)C[C@H]1CCCO1 ZINC001307565994 1049405606 /nfs/dbraw/zinc/40/56/06/1049405606.db2.gz FOQIYHQVONNOSF-OAHLLOKOSA-N 1 2 377.282 3.731 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1ncccc1Br)C[C@H]1CCCO1 ZINC001307565994 1049405609 /nfs/dbraw/zinc/40/56/09/1049405609.db2.gz FOQIYHQVONNOSF-OAHLLOKOSA-N 1 2 377.282 3.731 20 10 GHCDLO COc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2O)cc1 ZINC001308197556 1049909299 /nfs/dbraw/zinc/90/92/99/1049909299.db2.gz WYLIBZLECRNHDZ-HNNXBMFYSA-N 1 2 386.673 3.640 20 10 GHCDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](c4ccc(Cl)s4)C3)cc2)CC1 ZINC001336721630 1052315430 /nfs/dbraw/zinc/31/54/30/1052315430.db2.gz MSVCUUGZBAKWSK-GOSISDBHSA-N 1 2 392.952 3.936 20 10 GHCDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@@H](c4ccc(Cl)s4)C3)cc2)CC1 ZINC001336721630 1052315435 /nfs/dbraw/zinc/31/54/35/1052315435.db2.gz MSVCUUGZBAKWSK-GOSISDBHSA-N 1 2 392.952 3.936 20 10 GHCDLO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)c(F)c1 ZINC001319798864 1055475135 /nfs/dbraw/zinc/47/51/35/1055475135.db2.gz OYDIUEMAYMMDJB-UHFFFAOYSA-N 1 2 381.495 3.951 20 10 GHCDLO COc1cc[nH+]cc1Cn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001300697388 1056905185 /nfs/dbraw/zinc/90/51/85/1056905185.db2.gz RGNFGALPKPPLQA-UHFFFAOYSA-N 1 2 393.491 3.730 20 10 GHCDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001460065405 1064392331 /nfs/dbraw/zinc/39/23/31/1064392331.db2.gz NNMQTHHEHWNFOP-MRXNPFEDSA-N 1 2 382.888 3.739 20 10 GHCDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001460065405 1064392336 /nfs/dbraw/zinc/39/23/36/1064392336.db2.gz NNMQTHHEHWNFOP-MRXNPFEDSA-N 1 2 382.888 3.739 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C ZINC001351376969 1064415016 /nfs/dbraw/zinc/41/50/16/1064415016.db2.gz YBXXIYURQWDWCS-LJQANCHMSA-N 1 2 390.487 3.958 20 10 GHCDLO Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3cccc4c3CC[N@H+](C)C4)cc12 ZINC001463903197 1064707391 /nfs/dbraw/zinc/70/73/91/1064707391.db2.gz JDHXMRQAMOJWHN-UHFFFAOYSA-N 1 2 384.501 3.551 20 10 GHCDLO Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)cc12 ZINC001463903197 1064707401 /nfs/dbraw/zinc/70/74/01/1064707401.db2.gz JDHXMRQAMOJWHN-UHFFFAOYSA-N 1 2 384.501 3.551 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC001471141774 1072939259 /nfs/dbraw/zinc/93/92/59/1072939259.db2.gz WPIYOSRNOIPCLE-UHFFFAOYSA-N 1 2 389.499 3.758 20 10 GHCDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001472818923 1073679797 /nfs/dbraw/zinc/67/97/97/1073679797.db2.gz GBBKLHURDGYIIW-ZACQAIPSSA-N 1 2 397.475 3.735 20 10 GHCDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001472818923 1073679803 /nfs/dbraw/zinc/67/98/03/1073679803.db2.gz GBBKLHURDGYIIW-ZACQAIPSSA-N 1 2 397.475 3.735 20 10 GHCDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC001474316338 1074339418 /nfs/dbraw/zinc/33/94/18/1074339418.db2.gz OWEZPHQDQGJCGA-SNVBAGLBSA-N 1 2 391.281 3.639 20 10 GHCDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC001474316338 1074339423 /nfs/dbraw/zinc/33/94/23/1074339423.db2.gz OWEZPHQDQGJCGA-SNVBAGLBSA-N 1 2 391.281 3.639 20 10 GHCDLO CCCC[C@](C)(CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001474598971 1074477209 /nfs/dbraw/zinc/47/72/09/1074477209.db2.gz KXEMTTJPDBTQQD-CQSZACIVSA-N 1 2 395.135 3.948 20 10 GHCDLO COC(=O)c1c(C[NH2+]Cc2nc3c(s2)CCCC3)c2cc(F)ccc2n1C ZINC001474699638 1074523428 /nfs/dbraw/zinc/52/34/28/1074523428.db2.gz JNYRFKWGUFPYNX-UHFFFAOYSA-N 1 2 387.480 3.729 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)C[C@H]1CCCO1 ZINC000278506991 835258615 /nfs/dbraw/zinc/25/86/15/835258615.db2.gz MHFWQBHACBBJEV-LJQANCHMSA-N 1 2 397.450 3.686 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)C[C@H]1CCCO1 ZINC000278506991 835258622 /nfs/dbraw/zinc/25/86/22/835258622.db2.gz MHFWQBHACBBJEV-LJQANCHMSA-N 1 2 397.450 3.686 20 10 GHCDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCc1c(O)ccc2c1CCCC2 ZINC000175899996 838901956 /nfs/dbraw/zinc/90/19/56/838901956.db2.gz OYMXWKYYRKQXNP-UHFFFAOYSA-N 1 2 394.450 3.595 20 10 GHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985830 842260259 /nfs/dbraw/zinc/26/02/59/842260259.db2.gz XBAFTFIXGNJAIQ-UHFFFAOYSA-N 1 2 377.492 3.670 20 10 GHCDLO COc1cc(/C=C/c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc(O)c1O ZINC001212150249 854078459 /nfs/dbraw/zinc/07/84/59/854078459.db2.gz XSQAFLVJKTYQNE-FARCUNLSSA-N 1 2 376.372 3.513 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000733029959 862655730 /nfs/dbraw/zinc/65/57/30/862655730.db2.gz NLMQFDULTFHWGV-OAQYLSRUSA-N 1 2 387.474 3.826 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000733029959 862655743 /nfs/dbraw/zinc/65/57/43/862655743.db2.gz NLMQFDULTFHWGV-OAQYLSRUSA-N 1 2 387.474 3.826 20 10 GHCDLO C[C@@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)c1ccc(N(C)C)cc1 ZINC000907492428 857660535 /nfs/dbraw/zinc/66/05/35/857660535.db2.gz KIFOHNSGKFLJHY-QGZVFWFLSA-N 1 2 377.492 3.552 20 10 GHCDLO O=C(NCCCSc1nccs1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000733879073 863227010 /nfs/dbraw/zinc/22/70/10/863227010.db2.gz HRWUYWSMIYMCKT-INIZCTEOSA-N 1 2 393.603 3.532 20 10 GHCDLO COCC[C@H](C)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000840954471 866728472 /nfs/dbraw/zinc/72/84/72/866728472.db2.gz FLBOWSCFWYEJEB-VIFPVBQESA-N 1 2 381.108 3.679 20 10 GHCDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000743716840 868382609 /nfs/dbraw/zinc/38/26/09/868382609.db2.gz MRVIBHFCZUSGEM-QFIPXVFZSA-N 1 2 396.556 3.677 20 10 GHCDLO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000793610818 882328987 /nfs/dbraw/zinc/32/89/87/882328987.db2.gz POTFCVKEWUYPRL-CZUORRHYSA-N 1 2 392.293 3.665 20 10 GHCDLO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193559861 871185724 /nfs/dbraw/zinc/18/57/24/871185724.db2.gz PMNBMLCOCOMMKD-OAQYLSRUSA-N 1 2 389.499 3.513 20 10 GHCDLO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193559861 871185731 /nfs/dbraw/zinc/18/57/31/871185731.db2.gz PMNBMLCOCOMMKD-OAQYLSRUSA-N 1 2 389.499 3.513 20 10 GHCDLO CCCC[N@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000775638783 872187209 /nfs/dbraw/zinc/18/72/09/872187209.db2.gz HPGBHLJLJKNGNL-UHFFFAOYSA-N 1 2 381.108 3.512 20 10 GHCDLO CCCC[N@@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000775638783 872187216 /nfs/dbraw/zinc/18/72/16/872187216.db2.gz HPGBHLJLJKNGNL-UHFFFAOYSA-N 1 2 381.108 3.512 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c1O ZINC000769398906 874019133 /nfs/dbraw/zinc/01/91/33/874019133.db2.gz MSEKYGOJEVNTAR-LJQANCHMSA-N 1 2 392.293 3.911 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c1O ZINC000769398906 874019148 /nfs/dbraw/zinc/01/91/48/874019148.db2.gz MSEKYGOJEVNTAR-LJQANCHMSA-N 1 2 392.293 3.911 20 10 GHCDLO COc1cc(Br)cc(CNc2ccc(N3CCCC3)c[nH+]2)c1O ZINC000776036220 875242979 /nfs/dbraw/zinc/24/29/79/875242979.db2.gz DPIWCWMDWWJACE-UHFFFAOYSA-N 1 2 378.270 3.771 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000776176105 875693182 /nfs/dbraw/zinc/69/31/82/875693182.db2.gz YHMDVESHZKNIJE-ZBFHGGJFSA-N 1 2 377.765 3.809 20 10 GHCDLO O=C1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCN1c1ccc(C(F)(F)F)cc1 ZINC000776186398 875693989 /nfs/dbraw/zinc/69/39/89/875693989.db2.gz YCOLKTJWKUTIOT-OAHLLOKOSA-N 1 2 384.785 3.960 20 10 GHCDLO CO[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1O)C(C)C ZINC000776218956 875891004 /nfs/dbraw/zinc/89/10/04/875891004.db2.gz DDIIMIIEQWBQQH-GFCCVEGCSA-N 1 2 381.108 3.678 20 10 GHCDLO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776218867 875892498 /nfs/dbraw/zinc/89/24/98/875892498.db2.gz LQXPIWNQRGBVLL-JOYOIKCWSA-N 1 2 395.135 3.804 20 10 GHCDLO Oc1c(Cl)cccc1C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000529662388 876478332 /nfs/dbraw/zinc/47/83/32/876478332.db2.gz QDUQRCCLYYXNOP-UHFFFAOYSA-N 1 2 391.899 3.777 20 10 GHCDLO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(Cl)c2O)c(=O)n1C ZINC000786933548 877063310 /nfs/dbraw/zinc/06/33/10/877063310.db2.gz AQSKUXKEQIAKMM-SNVBAGLBSA-N 1 2 385.689 3.666 20 10 GHCDLO CCOc1cccc(CNC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000109761291 877424626 /nfs/dbraw/zinc/42/46/26/877424626.db2.gz UHZZKOGNMDMQHD-UHFFFAOYSA-N 1 2 394.471 3.703 20 10 GHCDLO CCOc1cccc(CNC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000109761291 877424634 /nfs/dbraw/zinc/42/46/34/877424634.db2.gz UHZZKOGNMDMQHD-UHFFFAOYSA-N 1 2 394.471 3.703 20 10 GHCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)CCC[C@H]1O ZINC001203563864 912404839 /nfs/dbraw/zinc/40/48/39/912404839.db2.gz AHRANBYZCWPQOR-TVQRCGJNSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)CCC[C@H]1O ZINC001203563864 912404845 /nfs/dbraw/zinc/40/48/45/912404845.db2.gz AHRANBYZCWPQOR-TVQRCGJNSA-N 1 2 393.119 3.510 20 10 GHCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)c1 ZINC000776726300 879708925 /nfs/dbraw/zinc/70/89/25/879708925.db2.gz IJYOVFYJLZXFQV-QPEQYQDCSA-N 1 2 377.878 3.853 20 10 GHCDLO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792163746 880955442 /nfs/dbraw/zinc/95/54/42/880955442.db2.gz CHZJHNPMSINYEL-UHFFFAOYSA-N 1 2 394.849 3.601 20 10 GHCDLO O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792163746 880955449 /nfs/dbraw/zinc/95/54/49/880955449.db2.gz CHZJHNPMSINYEL-UHFFFAOYSA-N 1 2 394.849 3.601 20 10 GHCDLO COC(=O)[C@H](C)[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000792188769 880976388 /nfs/dbraw/zinc/97/63/88/880976388.db2.gz YCSJFUYFIGIFJZ-HNNXBMFYSA-N 1 2 375.469 3.501 20 10 GHCDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000792188769 880976400 /nfs/dbraw/zinc/97/64/00/880976400.db2.gz YCSJFUYFIGIFJZ-HNNXBMFYSA-N 1 2 375.469 3.501 20 10 GHCDLO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cccc(Cl)c3O)CC2)cc1 ZINC000182125650 883208100 /nfs/dbraw/zinc/20/81/00/883208100.db2.gz ISXMMFLXYZVQEB-UHFFFAOYSA-N 1 2 388.895 3.839 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)cc(Cl)c1O ZINC000858603499 883226495 /nfs/dbraw/zinc/22/64/95/883226495.db2.gz VQKVIYHASZTSAB-YMTOWFKASA-N 1 2 387.705 3.612 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1C ZINC000859181522 883642972 /nfs/dbraw/zinc/64/29/72/883642972.db2.gz ODQQVGQSHBDCAM-OAQYLSRUSA-N 1 2 390.487 3.889 20 10 GHCDLO CC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(Cl)c1O ZINC000806157898 884414223 /nfs/dbraw/zinc/41/42/23/884414223.db2.gz BPNOQDFTCZCJHZ-SFHVURJKSA-N 1 2 394.924 3.826 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000862529826 886432375 /nfs/dbraw/zinc/43/23/75/886432375.db2.gz OSTSAYXCPQRGPN-AAEUAGOBSA-N 1 2 391.103 3.574 20 10 GHCDLO CC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000762648109 886615533 /nfs/dbraw/zinc/61/55/33/886615533.db2.gz GYRAIGCHOWSUOQ-YOEHRIQHSA-N 1 2 385.346 3.696 20 10 GHCDLO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc(Br)c(F)cc3O)[C@@H]2C1 ZINC000808723457 886706099 /nfs/dbraw/zinc/70/60/99/886706099.db2.gz OCRJQIMBTBEZTK-LYZFBDBPSA-N 1 2 399.304 3.591 20 10 GHCDLO O=[N+]([O-])c1cc(F)c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(F)c1 ZINC000795952533 913104793 /nfs/dbraw/zinc/10/47/93/913104793.db2.gz FLEFTITZLDTVQX-OAHLLOKOSA-N 1 2 378.375 3.760 20 10 GHCDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(F)c1 ZINC000795952533 913104801 /nfs/dbraw/zinc/10/48/01/913104801.db2.gz FLEFTITZLDTVQX-OAHLLOKOSA-N 1 2 378.375 3.760 20 10 GHCDLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)Cc1cc(F)ccc1O ZINC000796013431 913173220 /nfs/dbraw/zinc/17/32/20/913173220.db2.gz HIEBAIWHOGHYHC-UHFFFAOYSA-N 1 2 391.244 3.507 20 10 GHCDLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)Cc1cc(F)ccc1O ZINC000796013431 913173229 /nfs/dbraw/zinc/17/32/29/913173229.db2.gz HIEBAIWHOGHYHC-UHFFFAOYSA-N 1 2 391.244 3.507 20 10 GHCDLO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)c(OC)n1 ZINC000810260774 888326001 /nfs/dbraw/zinc/32/60/01/888326001.db2.gz PHGFZAQWEVIGDG-VIFPVBQESA-N 1 2 385.233 3.557 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Br)cc(F)c1O ZINC000866531010 888921223 /nfs/dbraw/zinc/92/12/23/888921223.db2.gz DHTQGKJHWHEEOH-WCQYABFASA-N 1 2 388.277 3.530 20 10 GHCDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000811452750 889612463 /nfs/dbraw/zinc/61/24/63/889612463.db2.gz HMTSSINAIIDMSY-UHFFFAOYSA-N 1 2 396.399 3.882 20 10 GHCDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000811452750 889612470 /nfs/dbraw/zinc/61/24/70/889612470.db2.gz HMTSSINAIIDMSY-UHFFFAOYSA-N 1 2 396.399 3.882 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@]23CCN(CC(F)(F)F)C3=O)c(Cl)c1 ZINC001275370959 913593306 /nfs/dbraw/zinc/59/33/06/913593306.db2.gz TWPPRPIXHHINGR-KRWDZBQOSA-N 1 2 389.849 3.535 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@]23CCN(CC(F)(F)F)C3=O)c(Cl)c1 ZINC001275370959 913593319 /nfs/dbraw/zinc/59/33/19/913593319.db2.gz TWPPRPIXHHINGR-KRWDZBQOSA-N 1 2 389.849 3.535 20 10 GHCDLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)[C@@H]1n1cccn1 ZINC000815661164 894075360 /nfs/dbraw/zinc/07/53/60/894075360.db2.gz VCWNREVOYCAEOH-NWLYGAKOSA-N 1 2 398.276 3.560 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(Br)cc(Br)c1[O-] ZINC000817950084 895975176 /nfs/dbraw/zinc/97/51/76/895975176.db2.gz RREYQOFUFFJMSW-GXSJLCMTSA-N 1 2 392.135 3.710 20 10 GHCDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(C)cc(Br)c2O)s1 ZINC000818230751 896091212 /nfs/dbraw/zinc/09/12/12/896091212.db2.gz DIJGLDGEXSSQDF-VIFPVBQESA-N 1 2 385.283 3.557 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000779144758 904626493 /nfs/dbraw/zinc/62/64/93/904626493.db2.gz OIYZAZCSFPPVSX-XZOQPEGZSA-N 1 2 396.531 3.866 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000779144758 904626503 /nfs/dbraw/zinc/62/65/03/904626503.db2.gz OIYZAZCSFPPVSX-XZOQPEGZSA-N 1 2 396.531 3.866 20 10 GHCDLO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000889558567 904642787 /nfs/dbraw/zinc/64/27/87/904642787.db2.gz QJSVAADNDXNAFR-JYJNAYRXSA-N 1 2 384.480 3.579 20 10 GHCDLO COc1c(O)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795438 921169937 /nfs/dbraw/zinc/16/99/37/921169937.db2.gz NLHOVFXLDIWKJI-SUMWQHHRSA-N 1 2 391.493 3.543 20 10 GHCDLO COc1c(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795438 921169947 /nfs/dbraw/zinc/16/99/47/921169947.db2.gz NLHOVFXLDIWKJI-SUMWQHHRSA-N 1 2 391.493 3.543 20 10 GHCDLO COc1c([O-])c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795438 921169962 /nfs/dbraw/zinc/16/99/62/921169962.db2.gz NLHOVFXLDIWKJI-SUMWQHHRSA-N 1 2 391.493 3.543 20 10 GHCDLO CC1([NH2+]Cc2cc(Br)cc(Br)c2O)CCOCC1 ZINC000182653927 907245195 /nfs/dbraw/zinc/24/51/95/907245195.db2.gz OHDVTPQFQVSQPE-UHFFFAOYSA-N 1 2 379.092 3.576 20 10 GHCDLO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001177424297 908573910 /nfs/dbraw/zinc/57/39/10/908573910.db2.gz FQUCJFJYAGAYJO-MRXNPFEDSA-N 1 2 381.289 3.556 20 10 GHCDLO Cc1cc(C(=O)NCc2nc(C[NH+](C)C)cs2)c(C)n1-c1ccccc1C ZINC001178083470 908897414 /nfs/dbraw/zinc/89/74/14/908897414.db2.gz DJLGWDGQAGYDGJ-UHFFFAOYSA-N 1 2 382.533 3.851 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@H](O)Cc1ccccc1 ZINC001178249343 908952082 /nfs/dbraw/zinc/95/20/82/908952082.db2.gz NHWZKOIWRUVJON-MEDUHNTESA-N 1 2 384.701 3.890 20 10 GHCDLO O=c1[nH]c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc2ccc(Cl)cc12 ZINC000268110514 909771739 /nfs/dbraw/zinc/77/17/39/909771739.db2.gz QNMSYIOJULVGLJ-MRXNPFEDSA-N 1 2 399.878 3.876 20 10 GHCDLO O=c1[nH]c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc2ccc(Cl)cc12 ZINC000268110514 909771748 /nfs/dbraw/zinc/77/17/48/909771748.db2.gz QNMSYIOJULVGLJ-MRXNPFEDSA-N 1 2 399.878 3.876 20 10 GHCDLO CN(C)c1ccc(/C=C/C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC001180122060 909969508 /nfs/dbraw/zinc/96/95/08/909969508.db2.gz FNBDMHMMMDXQHP-LQAKELLUSA-N 1 2 375.516 3.623 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001180787898 910341407 /nfs/dbraw/zinc/34/14/07/910341407.db2.gz RMMHVXGIQFJFBN-CHWSQXEVSA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001180787898 910341419 /nfs/dbraw/zinc/34/14/19/910341419.db2.gz RMMHVXGIQFJFBN-CHWSQXEVSA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3Br)C2)c1O ZINC000092592375 911638086 /nfs/dbraw/zinc/63/80/86/911638086.db2.gz ZVTUTPUFAPCCFO-KRWDZBQOSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cccc(C[N@H+]2CCO[C@H](c3ccccc3Br)C2)c1O ZINC000092592375 911638095 /nfs/dbraw/zinc/63/80/95/911638095.db2.gz ZVTUTPUFAPCCFO-KRWDZBQOSA-N 1 2 378.266 3.737 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3O)[C@@H]2C1 ZINC001182489332 911839346 /nfs/dbraw/zinc/83/93/46/911839346.db2.gz JXGUNGIEYNROMJ-IUODEOHRSA-N 1 2 397.313 3.596 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3O)[C@@H]2C1 ZINC001182489332 911839357 /nfs/dbraw/zinc/83/93/57/911839357.db2.gz JXGUNGIEYNROMJ-IUODEOHRSA-N 1 2 397.313 3.596 20 10 GHCDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000295448558 917315410 /nfs/dbraw/zinc/31/54/10/917315410.db2.gz UZVLCFQMIBWTAB-UHFFFAOYSA-N 1 2 376.859 3.921 20 10 GHCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000295448558 917315421 /nfs/dbraw/zinc/31/54/21/917315421.db2.gz UZVLCFQMIBWTAB-UHFFFAOYSA-N 1 2 376.859 3.921 20 10 GHCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1 ZINC000651208413 917515560 /nfs/dbraw/zinc/51/55/60/917515560.db2.gz TXANWRBNJVCGEY-UHFFFAOYSA-N 1 2 392.503 3.658 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCOc3ccc(Br)cc3C2)cc1OC ZINC000802659776 922320353 /nfs/dbraw/zinc/32/03/53/922320353.db2.gz WZQJSIBKJRYJHG-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCOc3ccc(Br)cc3C2)cc1OC ZINC000802659776 922320367 /nfs/dbraw/zinc/32/03/67/922320367.db2.gz WZQJSIBKJRYJHG-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO COc1ccccc1C[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@@H]1CCCO1 ZINC000750819430 927871546 /nfs/dbraw/zinc/87/15/46/927871546.db2.gz AYXHXCCLLWJEIF-IBGZPJMESA-N 1 2 387.451 3.924 20 10 GHCDLO COc1ccccc1C[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@@H]1CCCO1 ZINC000750819430 927871548 /nfs/dbraw/zinc/87/15/48/927871548.db2.gz AYXHXCCLLWJEIF-IBGZPJMESA-N 1 2 387.451 3.924 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780764509 930593408 /nfs/dbraw/zinc/59/34/08/930593408.db2.gz MFSAHNPRRVPUHW-HXUWFJFHSA-N 1 2 379.464 3.582 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780764717 930593869 /nfs/dbraw/zinc/59/38/69/930593869.db2.gz PERDKZQOOQLYMZ-FQEVSTJZSA-N 1 2 379.464 3.582 20 10 GHCDLO C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cc(F)cc(F)c1O ZINC000797103862 932183597 /nfs/dbraw/zinc/18/35/97/932183597.db2.gz PZOWXCXOEMQKCQ-JTQLQIEISA-N 1 2 383.826 3.607 20 10 GHCDLO O=C(/C=C/c1ccc(O)c(O)c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797780555 932404780 /nfs/dbraw/zinc/40/47/80/932404780.db2.gz QDFGIUDDTQVUDQ-FNORWQNLSA-N 1 2 397.862 3.690 20 10 GHCDLO CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)[C@@H](C)C1 ZINC000799738117 933105877 /nfs/dbraw/zinc/10/58/77/933105877.db2.gz RADDCKLJYHTKBL-JOYOIKCWSA-N 1 2 393.119 3.917 20 10 GHCDLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)[C@@H](C)C1 ZINC000799738117 933105882 /nfs/dbraw/zinc/10/58/82/933105882.db2.gz RADDCKLJYHTKBL-JOYOIKCWSA-N 1 2 393.119 3.917 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001137834506 935813500 /nfs/dbraw/zinc/81/35/00/935813500.db2.gz JIPIPNIXZGQTBE-PGRDOPGGSA-N 1 2 386.467 3.514 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001137834506 935813504 /nfs/dbraw/zinc/81/35/04/935813504.db2.gz JIPIPNIXZGQTBE-PGRDOPGGSA-N 1 2 386.467 3.514 20 10 GHCDLO COc1cccc(OCCN2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)c1 ZINC001204211524 1032662209 /nfs/dbraw/zinc/66/22/09/1032662209.db2.gz BPGCHVWSTFNDSF-UHFFFAOYSA-N 1 2 390.911 3.559 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)Cc2c1cnn2CC1CC1 ZINC001140339528 1021446433 /nfs/dbraw/zinc/44/64/33/1021446433.db2.gz WDNYMSGGPLSLMW-OAHLLOKOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)Cc2c1cnn2CC1CC1 ZINC001140339528 1021446440 /nfs/dbraw/zinc/44/64/40/1021446440.db2.gz WDNYMSGGPLSLMW-OAHLLOKOSA-N 1 2 375.900 3.788 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1cc(Br)c(F)cc1O ZINC000834896667 1021640320 /nfs/dbraw/zinc/64/03/20/1021640320.db2.gz MLRYDPKKLMXHOC-DINDLPBHSA-N 1 2 398.276 3.598 20 10 GHCDLO COc1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cc1C ZINC000754890490 1022951277 /nfs/dbraw/zinc/95/12/77/1022951277.db2.gz HHNCZJATVOTSSD-UHFFFAOYSA-N 1 2 387.281 3.841 20 10 GHCDLO CCOC(=O)c1nc2c(s1)C[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141078393 1023444153 /nfs/dbraw/zinc/44/41/53/1023444153.db2.gz VPSWNPGQFPCUIA-UHFFFAOYSA-N 1 2 397.544 3.577 20 10 GHCDLO CCOC(=O)c1nc2c(s1)C[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141078393 1023444156 /nfs/dbraw/zinc/44/41/56/1023444156.db2.gz VPSWNPGQFPCUIA-UHFFFAOYSA-N 1 2 397.544 3.577 20 10 GHCDLO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(Br)cc(F)c1O ZINC000756478099 1023676416 /nfs/dbraw/zinc/67/64/16/1023676416.db2.gz FGISEHKVJYBJAT-GFCCVEGCSA-N 1 2 379.273 3.960 20 10 GHCDLO C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756539540 1023705895 /nfs/dbraw/zinc/70/58/95/1023705895.db2.gz PXWXSRJGMUXOCE-MRVPVSSYSA-N 1 2 396.182 3.903 20 10 GHCDLO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000756642614 1023751379 /nfs/dbraw/zinc/75/13/79/1023751379.db2.gz OOVQZXBBCZWYAT-UWVAXJGDSA-N 1 2 382.504 3.883 20 10 GHCDLO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000756642614 1023751385 /nfs/dbraw/zinc/75/13/85/1023751385.db2.gz OOVQZXBBCZWYAT-UWVAXJGDSA-N 1 2 382.504 3.883 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1F ZINC001138215623 1024380054 /nfs/dbraw/zinc/38/00/54/1024380054.db2.gz MBOOJCJERIJJPU-OALUTQOASA-N 1 2 377.504 3.724 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1F ZINC001138215623 1024380072 /nfs/dbraw/zinc/38/00/72/1024380072.db2.gz MBOOJCJERIJJPU-OALUTQOASA-N 1 2 377.504 3.724 20 10 GHCDLO COC[C@H]1C[N@H+](Cc2c(C)n(C)c3ccccc23)Cc2nn(CC3CC3)cc21 ZINC001138253904 1024475991 /nfs/dbraw/zinc/47/59/91/1024475991.db2.gz KEGAWIHGLFZHMQ-GOSISDBHSA-N 1 2 378.520 3.839 20 10 GHCDLO COC[C@H]1C[N@@H+](Cc2c(C)n(C)c3ccccc23)Cc2nn(CC3CC3)cc21 ZINC001138253904 1024476006 /nfs/dbraw/zinc/47/60/06/1024476006.db2.gz KEGAWIHGLFZHMQ-GOSISDBHSA-N 1 2 378.520 3.839 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2c3ccccc3n(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001138254025 1024476082 /nfs/dbraw/zinc/47/60/82/1024476082.db2.gz ODZGLMFAGYMOON-SFHVURJKSA-N 1 2 393.535 3.624 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2c3ccccc3n(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001138254025 1024476090 /nfs/dbraw/zinc/47/60/90/1024476090.db2.gz ODZGLMFAGYMOON-SFHVURJKSA-N 1 2 393.535 3.624 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338922 1024701096 /nfs/dbraw/zinc/70/10/96/1024701096.db2.gz VWBVVMYAJGZUOV-UHFFFAOYSA-N 1 2 394.515 3.656 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338922 1024701105 /nfs/dbraw/zinc/70/11/05/1024701105.db2.gz VWBVVMYAJGZUOV-UHFFFAOYSA-N 1 2 394.515 3.656 20 10 GHCDLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500623 1024934209 /nfs/dbraw/zinc/93/42/09/1024934209.db2.gz DORWBMJZPPCQDZ-LJQANCHMSA-N 1 2 383.511 3.541 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1nc(Br)cs1)C[C@@H]1CCCO1 ZINC001205101986 1033251473 /nfs/dbraw/zinc/25/14/73/1033251473.db2.gz ZSOHUXFRSOBELQ-ZDUSSCGKSA-N 1 2 383.311 3.792 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1nc(Br)cs1)C[C@@H]1CCCO1 ZINC001205101986 1033251492 /nfs/dbraw/zinc/25/14/92/1033251492.db2.gz ZSOHUXFRSOBELQ-ZDUSSCGKSA-N 1 2 383.311 3.792 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001139127017 1025938904 /nfs/dbraw/zinc/93/89/04/1025938904.db2.gz AZBSKUTUYGHGHT-UHFFFAOYSA-N 1 2 398.890 3.778 20 10 GHCDLO COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2c(O)ccc3c(C)cc(=O)oc32)cc1 ZINC001139129867 1025941312 /nfs/dbraw/zinc/94/13/12/1025941312.db2.gz IHFUOGXTXOXMIK-LJQANCHMSA-N 1 2 393.439 3.931 20 10 GHCDLO COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2c(O)ccc3c(C)cc(=O)oc32)cc1 ZINC001139129867 1025941317 /nfs/dbraw/zinc/94/13/17/1025941317.db2.gz IHFUOGXTXOXMIK-LJQANCHMSA-N 1 2 393.439 3.931 20 10 GHCDLO COc1ccccc1[C@H](O)C[N@H+](Cc1c(O)ccc2c(C)cc(=O)oc21)C(C)C ZINC001139131619 1025943082 /nfs/dbraw/zinc/94/30/82/1025943082.db2.gz PYCUTHFUYFTUTP-HXUWFJFHSA-N 1 2 397.471 3.760 20 10 GHCDLO COc1ccccc1[C@H](O)C[N@@H+](Cc1c(O)ccc2c(C)cc(=O)oc21)C(C)C ZINC001139131619 1025943085 /nfs/dbraw/zinc/94/30/85/1025943085.db2.gz PYCUTHFUYFTUTP-HXUWFJFHSA-N 1 2 397.471 3.760 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccc(C(=O)C(F)(F)F)c3)CC2)cc1F ZINC000839502357 1025988048 /nfs/dbraw/zinc/98/80/48/1025988048.db2.gz HVTJEDWPTMLZJC-UHFFFAOYSA-N 1 2 396.384 3.902 20 10 GHCDLO COC(C[N@H+](Cc1ccccc1)Cc1c(O)cccc1Br)OC ZINC001140098487 1026874977 /nfs/dbraw/zinc/87/49/77/1026874977.db2.gz BLRBMQZBIGSFGD-UHFFFAOYSA-N 1 2 380.282 3.776 20 10 GHCDLO COC(C[N@@H+](Cc1ccccc1)Cc1c(O)cccc1Br)OC ZINC001140098487 1026874987 /nfs/dbraw/zinc/87/49/87/1026874987.db2.gz BLRBMQZBIGSFGD-UHFFFAOYSA-N 1 2 380.282 3.776 20 10 GHCDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(N)cc1 ZINC000841302434 1028395315 /nfs/dbraw/zinc/39/53/15/1028395315.db2.gz WIAFWMFCTFVRQM-UHFFFAOYSA-N 1 2 393.491 3.988 20 10 GHCDLO NC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1ccccc1 ZINC001461543869 1069601401 /nfs/dbraw/zinc/60/14/01/1069601401.db2.gz ZZAUFFKAARFHKI-CQSZACIVSA-N 1 2 383.673 3.514 20 10 GHCDLO CC(C)O[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000843413383 1029988238 /nfs/dbraw/zinc/98/82/38/1029988238.db2.gz HIUCWTKEOLIJRY-GFCCVEGCSA-N 1 2 393.119 3.917 20 10 GHCDLO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000843413383 1029988241 /nfs/dbraw/zinc/98/82/41/1029988241.db2.gz HIUCWTKEOLIJRY-GFCCVEGCSA-N 1 2 393.119 3.917 20 10 GHCDLO CC(C)(C)OC(=O)CC[N@H+](Cc1cc(Cl)cc(F)c1O)C1CCOCC1 ZINC000843413723 1029988419 /nfs/dbraw/zinc/98/84/19/1029988419.db2.gz OMUICVSRXBKKNM-UHFFFAOYSA-N 1 2 387.879 3.898 20 10 GHCDLO CC(C)(C)OC(=O)CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C1CCOCC1 ZINC000843413723 1029988424 /nfs/dbraw/zinc/98/84/24/1029988424.db2.gz OMUICVSRXBKKNM-UHFFFAOYSA-N 1 2 387.879 3.898 20 10 GHCDLO Cc1ccc(Cl)c(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1 ZINC001217054686 1030127202 /nfs/dbraw/zinc/12/72/02/1030127202.db2.gz IXDGJDVNMNQJST-UHFFFAOYSA-N 1 2 385.851 3.903 20 10 GHCDLO COC(=O)[C@@H]1C[C@H](Oc2ccc3ccccc3c2/N=N/c2nccs2)C[NH2+]1 ZINC001218176839 1030807134 /nfs/dbraw/zinc/80/71/34/1030807134.db2.gz IUDJFHSTDMSGQJ-GIUMZURGSA-N 1 2 382.445 3.994 20 10 GHCDLO Cc1csc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)n1 ZINC001204381892 1031555649 /nfs/dbraw/zinc/55/56/49/1031555649.db2.gz YEVYKKVIMCPUCR-UHFFFAOYSA-N 1 2 380.517 3.748 20 10 GHCDLO O=C1[C@H]([NH2+]Cc2ccc(F)c(F)c2O)CCN1c1ccccc1C(F)(F)F ZINC001205434337 1033410405 /nfs/dbraw/zinc/41/04/05/1033410405.db2.gz MMPQHEIQGKKGRF-CYBMUJFWSA-N 1 2 386.320 3.584 20 10 GHCDLO CCc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c1O ZINC001461863323 1069804068 /nfs/dbraw/zinc/80/40/68/1069804068.db2.gz FEDUPEPZUQEYDU-KRWDZBQOSA-N 1 2 378.394 3.647 20 10 GHCDLO CCc1cccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c1O ZINC001461863323 1069804088 /nfs/dbraw/zinc/80/40/88/1069804088.db2.gz FEDUPEPZUQEYDU-KRWDZBQOSA-N 1 2 378.394 3.647 20 10 GHCDLO CCOc1ccc(N2CC[NH+](CCc3c(Cl)ncnc3Cl)CC2)cc1 ZINC001207333680 1034282458 /nfs/dbraw/zinc/28/24/58/1034282458.db2.gz ZMEADCAVCAZBLO-UHFFFAOYSA-N 1 2 381.307 3.547 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001461987049 1069930223 /nfs/dbraw/zinc/93/02/23/1069930223.db2.gz OFIKHWPMMYZGBG-BETUJISGSA-N 1 2 399.329 3.984 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001461987049 1069930231 /nfs/dbraw/zinc/93/02/31/1069930231.db2.gz OFIKHWPMMYZGBG-BETUJISGSA-N 1 2 399.329 3.984 20 10 GHCDLO CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233015297 1038768944 /nfs/dbraw/zinc/76/89/44/1038768944.db2.gz IWMXPASEVNYRFO-UHFFFAOYSA-N 1 2 386.448 3.709 20 10 GHCDLO CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233015297 1038768950 /nfs/dbraw/zinc/76/89/50/1038768950.db2.gz IWMXPASEVNYRFO-UHFFFAOYSA-N 1 2 386.448 3.709 20 10 GHCDLO COC(=O)c1cccc(C[N@H+](C)Cc2c(O)cc(Br)cc2F)c1 ZINC001233030174 1038782864 /nfs/dbraw/zinc/78/28/64/1038782864.db2.gz PRKOVVKASPRGDU-UHFFFAOYSA-N 1 2 382.229 3.712 20 10 GHCDLO COC(=O)c1cccc(C[N@@H+](C)Cc2c(O)cc(Br)cc2F)c1 ZINC001233030174 1038782879 /nfs/dbraw/zinc/78/28/79/1038782879.db2.gz PRKOVVKASPRGDU-UHFFFAOYSA-N 1 2 382.229 3.712 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416811 1039275334 /nfs/dbraw/zinc/27/53/34/1039275334.db2.gz XFPJKMWMDBUGSM-LSDHHAIUSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233416811 1039275345 /nfs/dbraw/zinc/27/53/45/1039275345.db2.gz XFPJKMWMDBUGSM-LSDHHAIUSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455295 1039345832 /nfs/dbraw/zinc/34/58/32/1039345832.db2.gz FCJUSRDJHQCDAH-HNNXBMFYSA-N 1 2 389.414 3.734 20 10 GHCDLO CC(C)(C)OC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455295 1039345838 /nfs/dbraw/zinc/34/58/38/1039345838.db2.gz FCJUSRDJHQCDAH-HNNXBMFYSA-N 1 2 389.414 3.734 20 10 GHCDLO CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001277835830 1039900854 /nfs/dbraw/zinc/90/08/54/1039900854.db2.gz ZSDNUYUJTRTHHW-HNNXBMFYSA-N 1 2 380.916 3.573 20 10 GHCDLO CCc1nc(C2CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)no1 ZINC001235067206 1040557141 /nfs/dbraw/zinc/55/71/41/1040557141.db2.gz SQPFAZAUWQMNIK-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO CCC(=O)N(CC)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235076590 1040564920 /nfs/dbraw/zinc/56/49/20/1040564920.db2.gz YFCJRTDYNQZBCD-UHFFFAOYSA-N 1 2 387.293 3.517 20 10 GHCDLO COc1ccc(C[N@H+](C)Cc2cc(F)cc(Br)c2O)cc1OC ZINC001235302142 1040774326 /nfs/dbraw/zinc/77/43/26/1040774326.db2.gz MKNQHESWOAPZRR-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(Br)c2O)cc1OC ZINC001235302142 1040774343 /nfs/dbraw/zinc/77/43/43/1040774343.db2.gz MKNQHESWOAPZRR-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001235301219 1040775257 /nfs/dbraw/zinc/77/52/57/1040775257.db2.gz DUHASVXDEHJMNX-OAHLLOKOSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001235301219 1040775275 /nfs/dbraw/zinc/77/52/75/1040775275.db2.gz DUHASVXDEHJMNX-OAHLLOKOSA-N 1 2 381.245 3.732 20 10 GHCDLO CN(CC[N@H+](C)Cc1ccccc1)Cc1cc(F)cc(Br)c1O ZINC001235306193 1040777388 /nfs/dbraw/zinc/77/73/88/1040777388.db2.gz RVBFJOZAQRWOKM-UHFFFAOYSA-N 1 2 381.289 3.858 20 10 GHCDLO CN(CC[N@@H+](C)Cc1ccccc1)Cc1cc(F)cc(Br)c1O ZINC001235306193 1040777405 /nfs/dbraw/zinc/77/74/05/1040777405.db2.gz RVBFJOZAQRWOKM-UHFFFAOYSA-N 1 2 381.289 3.858 20 10 GHCDLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235309895 1040784435 /nfs/dbraw/zinc/78/44/35/1040784435.db2.gz YKJQFIQLSPZQAB-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235309895 1040784456 /nfs/dbraw/zinc/78/44/56/1040784456.db2.gz YKJQFIQLSPZQAB-CQSZACIVSA-N 1 2 381.245 3.651 20 10 GHCDLO O=C(c1ccco1)N1CC[NH+](Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001236793976 1041898303 /nfs/dbraw/zinc/89/83/03/1041898303.db2.gz VBINMYIGTQYBPQ-UHFFFAOYSA-N 1 2 392.455 3.522 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236801400 1041903874 /nfs/dbraw/zinc/90/38/74/1041903874.db2.gz IRYHHXWURWWNBV-TZMCWYRMSA-N 1 2 384.904 3.789 20 10 GHCDLO COc1ccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c(O)c1Cl ZINC001236804200 1041905616 /nfs/dbraw/zinc/90/56/16/1041905616.db2.gz MNHIGHKMBQYWHR-INIZCTEOSA-N 1 2 381.900 3.604 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3OC)C2)c(O)c1Cl ZINC001236806535 1041907180 /nfs/dbraw/zinc/90/71/80/1041907180.db2.gz BIZBBAVVOUBFNJ-AWEZNQCLSA-N 1 2 378.856 3.501 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3OC)C2)c(O)c1Cl ZINC001236806535 1041907182 /nfs/dbraw/zinc/90/71/82/1041907182.db2.gz BIZBBAVVOUBFNJ-AWEZNQCLSA-N 1 2 378.856 3.501 20 10 GHCDLO COc1ccc(C[NH+]2CCC3(CC2)NC(=O)Nc2ccccc23)c(O)c1Cl ZINC001236808255 1041908721 /nfs/dbraw/zinc/90/87/21/1041908721.db2.gz WEXMEKYXPNSSML-UHFFFAOYSA-N 1 2 387.867 3.681 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)c(O)c1Cl ZINC001236809786 1041910557 /nfs/dbraw/zinc/91/05/57/1041910557.db2.gz OGHPMFVVTKYKNR-TZMCWYRMSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)c(O)c1Cl ZINC001236809786 1041910560 /nfs/dbraw/zinc/91/05/60/1041910560.db2.gz OGHPMFVVTKYKNR-TZMCWYRMSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)c(O)c1Cl ZINC001236810989 1041911292 /nfs/dbraw/zinc/91/12/92/1041911292.db2.gz DESQALFCWHIJJQ-UHFFFAOYSA-N 1 2 386.883 3.506 20 10 GHCDLO COc1ccc(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)c(O)c1Cl ZINC001236810989 1041911295 /nfs/dbraw/zinc/91/12/95/1041911295.db2.gz DESQALFCWHIJJQ-UHFFFAOYSA-N 1 2 386.883 3.506 20 10 GHCDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237060135 1042015348 /nfs/dbraw/zinc/01/53/48/1042015348.db2.gz UTGFCRSKVALRRZ-UHFFFAOYSA-N 1 2 383.366 3.509 20 10 GHCDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237060135 1042015354 /nfs/dbraw/zinc/01/53/54/1042015354.db2.gz UTGFCRSKVALRRZ-UHFFFAOYSA-N 1 2 383.366 3.509 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1c(O)ccc(F)c1Cl)C[C@H]2COCC1CC1 ZINC001237125415 1042053259 /nfs/dbraw/zinc/05/32/59/1042053259.db2.gz ZDUGPIWPSUAFOW-AWEZNQCLSA-N 1 2 393.890 3.927 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1c(O)ccc(F)c1Cl)C[C@H]2COCC1CC1 ZINC001237125415 1042053264 /nfs/dbraw/zinc/05/32/64/1042053264.db2.gz ZDUGPIWPSUAFOW-AWEZNQCLSA-N 1 2 393.890 3.927 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237135201 1042057391 /nfs/dbraw/zinc/05/73/91/1042057391.db2.gz GSAXKYXDNPZLCD-HUUCEWRRSA-N 1 2 386.414 3.995 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001237135201 1042057400 /nfs/dbraw/zinc/05/74/00/1042057400.db2.gz GSAXKYXDNPZLCD-HUUCEWRRSA-N 1 2 386.414 3.995 20 10 GHCDLO Cc1nc(C[N@@H+]2CCC3(CN(Cc4cc(C(F)(F)F)ccc4O)C3)C2)cs1 ZINC001237137223 1042059164 /nfs/dbraw/zinc/05/91/64/1042059164.db2.gz MQWRSLWZTLTRHA-UHFFFAOYSA-N 1 2 397.466 3.884 20 10 GHCDLO Cc1nc(C[N@H+]2CCC3(CN(Cc4cc(C(F)(F)F)ccc4O)C3)C2)cs1 ZINC001237137223 1042059172 /nfs/dbraw/zinc/05/91/72/1042059172.db2.gz MQWRSLWZTLTRHA-UHFFFAOYSA-N 1 2 397.466 3.884 20 10 GHCDLO Oc1cc(F)cc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001237285780 1042123803 /nfs/dbraw/zinc/12/38/03/1042123803.db2.gz AWOSPZZDTCNBSB-UHFFFAOYSA-N 1 2 393.462 3.828 20 10 GHCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)nc(Cl)c1O ZINC001237535449 1042254595 /nfs/dbraw/zinc/25/45/95/1042254595.db2.gz RVTGECUELAWSPD-UHFFFAOYSA-N 1 2 382.291 3.563 20 10 GHCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)nc(Cl)c1O ZINC001237535449 1042254600 /nfs/dbraw/zinc/25/46/00/1042254600.db2.gz RVTGECUELAWSPD-UHFFFAOYSA-N 1 2 382.291 3.563 20 10 GHCDLO CCC1(O)CC[NH+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001237791782 1042372652 /nfs/dbraw/zinc/37/26/52/1042372652.db2.gz MAYNDDLYQLSRRD-UHFFFAOYSA-N 1 2 382.220 3.910 20 10 GHCDLO Oc1c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792146 1042372694 /nfs/dbraw/zinc/37/26/94/1042372694.db2.gz PTQJURQBZUIFMR-NOZJJQNGSA-N 1 2 380.204 3.784 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792146 1042372697 /nfs/dbraw/zinc/37/26/97/1042372697.db2.gz PTQJURQBZUIFMR-NOZJJQNGSA-N 1 2 380.204 3.784 20 10 GHCDLO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)N1 ZINC001237800255 1042376720 /nfs/dbraw/zinc/37/67/20/1042376720.db2.gz MRNYTARFBBTHPE-KRWDZBQOSA-N 1 2 388.870 3.823 20 10 GHCDLO COCCOc1cccc(N2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)c1 ZINC001237940467 1042430224 /nfs/dbraw/zinc/43/02/24/1042430224.db2.gz LVILJJZTFVFTEW-UHFFFAOYSA-N 1 2 394.874 3.532 20 10 GHCDLO CN(Cc1ccccc1O)c1nnc([C@@H]2CCCC[N@@H+]2C)n1Cc1cccs1 ZINC001263499970 1046910300 /nfs/dbraw/zinc/91/03/00/1046910300.db2.gz VGWNQNFAMUCMOC-SFHVURJKSA-N 1 2 397.548 3.887 20 10 GHCDLO CN(Cc1ccccc1O)c1nnc([C@@H]2CCCC[N@H+]2C)n1Cc1cccs1 ZINC001263499970 1046910309 /nfs/dbraw/zinc/91/03/09/1046910309.db2.gz VGWNQNFAMUCMOC-SFHVURJKSA-N 1 2 397.548 3.887 20 10 GHCDLO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(Cl)c(Cl)cc2O)n(C)n1 ZINC001279665691 1047906112 /nfs/dbraw/zinc/90/61/12/1047906112.db2.gz SSMLOSWARYMHTI-ROUUACIJSA-N 1 2 395.334 3.590 20 10 GHCDLO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(Cl)c(Cl)cc2O)n(C)n1 ZINC001279665691 1047906116 /nfs/dbraw/zinc/90/61/16/1047906116.db2.gz SSMLOSWARYMHTI-ROUUACIJSA-N 1 2 395.334 3.590 20 10 GHCDLO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(Cl)c(Cl)cc2O)n(C)n1 ZINC001279665691 1047906120 /nfs/dbraw/zinc/90/61/20/1047906120.db2.gz SSMLOSWARYMHTI-ROUUACIJSA-N 1 2 395.334 3.590 20 10 GHCDLO Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(Cl)c(Cl)cc2O)n(C)n1 ZINC001279665691 1047906127 /nfs/dbraw/zinc/90/61/27/1047906127.db2.gz SSMLOSWARYMHTI-ROUUACIJSA-N 1 2 395.334 3.590 20 10 GHCDLO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@H]1C ZINC001307703686 1049519764 /nfs/dbraw/zinc/51/97/64/1049519764.db2.gz XVZXXTROELMKGA-HRCADAONSA-N 1 2 390.483 3.909 20 10 GHCDLO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@H]1C ZINC001307703686 1049519773 /nfs/dbraw/zinc/51/97/73/1049519773.db2.gz XVZXXTROELMKGA-HRCADAONSA-N 1 2 390.483 3.909 20 10 GHCDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc(Cl)cc3O)CC2)cs1 ZINC001308560306 1050008697 /nfs/dbraw/zinc/00/86/97/1050008697.db2.gz JJTGUBJDYROGTM-CQSZACIVSA-N 1 2 395.956 3.917 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(Br)cc(F)c1O ZINC000848557851 1057177690 /nfs/dbraw/zinc/17/76/90/1057177690.db2.gz HVYFLGCNGZNOMN-QLJPJBMISA-N 1 2 393.256 3.898 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cc(Br)cc(F)c1O ZINC000848557843 1057177921 /nfs/dbraw/zinc/17/79/21/1057177921.db2.gz HVYFLGCNGZNOMN-HWPZZCPQSA-N 1 2 393.256 3.898 20 10 GHCDLO Cc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1-c1ccccn1 ZINC001455200344 1062045832 /nfs/dbraw/zinc/04/58/32/1062045832.db2.gz WEFKRBSNDDKECY-OAQYLSRUSA-N 1 2 385.471 3.857 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001477673873 1078520033 /nfs/dbraw/zinc/52/00/33/1078520033.db2.gz UILPLQRFUYAJTA-SFHVURJKSA-N 1 2 391.519 3.677 20 10 GHCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001477985111 1078658145 /nfs/dbraw/zinc/65/81/45/1078658145.db2.gz RKNPWNYSZFACAR-QFIPXVFZSA-N 1 2 387.487 3.500 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCC(F)(F)F ZINC001474023843 1074239226 /nfs/dbraw/zinc/23/92/26/1074239226.db2.gz DOWAMJWDMUEZFA-UHFFFAOYSA-N 1 2 376.998 3.959 20 10 GHCDLO Cc1ncccc1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001474229565 1074301258 /nfs/dbraw/zinc/30/12/58/1074301258.db2.gz ZGPGJGSQPOSUQA-UHFFFAOYSA-N 1 2 386.087 3.910 20 10 GHCDLO CN(C)c1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000161729983 834426643 /nfs/dbraw/zinc/42/66/43/834426643.db2.gz WHMLPDUWPFHSDE-YADHBBJMSA-N 1 2 389.503 3.677 20 10 GHCDLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000179482938 835740016 /nfs/dbraw/zinc/74/00/16/835740016.db2.gz RRVYBCMQLHAHQD-UHFFFAOYSA-N 1 2 389.293 3.503 20 10 GHCDLO O=C(c1ccccc1)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000179482938 835740026 /nfs/dbraw/zinc/74/00/26/835740026.db2.gz RRVYBCMQLHAHQD-UHFFFAOYSA-N 1 2 389.293 3.503 20 10 GHCDLO COCC[NH+]1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 ZINC000255178837 839062704 /nfs/dbraw/zinc/06/27/04/839062704.db2.gz SBJSWJKGUMADME-UHFFFAOYSA-N 1 2 395.507 3.572 20 10 GHCDLO CC(C)(C)OC(=O)NCC1CC([NH2+]Cc2cccc(Br)c2O)C1 ZINC000894047352 844423787 /nfs/dbraw/zinc/42/37/87/844423787.db2.gz UCGGRICFEGVXIM-UHFFFAOYSA-N 1 2 385.302 3.548 20 10 GHCDLO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756616379 840369013 /nfs/dbraw/zinc/36/90/13/840369013.db2.gz ZCMFEMNDKFCIJM-NXEZZACHSA-N 1 2 384.293 3.926 20 10 GHCDLO COC(=O)c1c(C[NH2+]Cc2ccn(C3CCCC3)n2)c2cc(F)ccc2n1C ZINC000894346297 851920479 /nfs/dbraw/zinc/92/04/79/851920479.db2.gz PBPICGWCMVDLPE-UHFFFAOYSA-N 1 2 384.455 3.705 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)ccc21 ZINC000590725105 855545770 /nfs/dbraw/zinc/54/57/70/855545770.db2.gz CXOONYZGEXPWPU-LJQANCHMSA-N 1 2 380.492 3.578 20 10 GHCDLO CCC(CC)(C[NH2+][C@H](C)c1cc(Br)cc(F)c1O)C(=O)OC ZINC000760870133 856220670 /nfs/dbraw/zinc/22/06/70/856220670.db2.gz PODLKIOWRNQSDT-SNVBAGLBSA-N 1 2 376.266 3.924 20 10 GHCDLO OCC1([C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)c2ccncc2)CCC1 ZINC000895359064 859257706 /nfs/dbraw/zinc/25/77/06/859257706.db2.gz MDBXCKYNPIHABV-KRWDZBQOSA-N 1 2 395.272 3.682 20 10 GHCDLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764810518 859625649 /nfs/dbraw/zinc/62/56/49/859625649.db2.gz RTZPDNBXSDEGFR-JTSKRJEESA-N 1 2 394.494 3.836 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2C)cc1 ZINC000727738599 860209987 /nfs/dbraw/zinc/20/99/87/860209987.db2.gz MFCUCYYZBKJMBE-KRWDZBQOSA-N 1 2 378.476 3.846 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c(C(F)(F)F)c1 ZINC000792775912 881688360 /nfs/dbraw/zinc/68/83/60/881688360.db2.gz CNXGDFIIPPHIEM-SFHVURJKSA-N 1 2 395.425 3.645 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c(C(F)(F)F)c1 ZINC000792775912 881688371 /nfs/dbraw/zinc/68/83/71/881688371.db2.gz CNXGDFIIPPHIEM-SFHVURJKSA-N 1 2 395.425 3.645 20 10 GHCDLO COc1ccc(N2CCC[N@H+](Cc3nc(CCc4ccccc4)no3)CC2)cc1 ZINC000173553516 864873008 /nfs/dbraw/zinc/87/30/08/864873008.db2.gz ONVQEYGNDCPWKU-UHFFFAOYSA-N 1 2 392.503 3.576 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](Cc3nc(CCc4ccccc4)no3)CC2)cc1 ZINC000173553516 864873020 /nfs/dbraw/zinc/87/30/20/864873020.db2.gz ONVQEYGNDCPWKU-UHFFFAOYSA-N 1 2 392.503 3.576 20 10 GHCDLO O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000174291627 865679890 /nfs/dbraw/zinc/67/98/90/865679890.db2.gz IWNTWXRTURLEOA-UHFFFAOYSA-N 1 2 398.463 3.727 20 10 GHCDLO NS(=O)(=O)c1cccc(Nc2ccc([NH2+]C3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000302159654 865740455 /nfs/dbraw/zinc/74/04/55/865740455.db2.gz XTVBBXDCGIIPMS-UHFFFAOYSA-N 1 2 390.465 3.730 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168862560 870915272 /nfs/dbraw/zinc/91/52/72/870915272.db2.gz FSFDQNXSANORSG-HOTGVXAUSA-N 1 2 399.535 3.943 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168862560 870915282 /nfs/dbraw/zinc/91/52/82/870915282.db2.gz FSFDQNXSANORSG-HOTGVXAUSA-N 1 2 399.535 3.943 20 10 GHCDLO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775650997 872344763 /nfs/dbraw/zinc/34/47/63/872344763.db2.gz JLDJCUKHBNUNIW-UHFFFAOYSA-N 1 2 394.849 3.852 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(C)n1-c1cccc(F)c1 ZINC000767913974 872932071 /nfs/dbraw/zinc/93/20/71/872932071.db2.gz VVJJZVXQWMFWJU-FPOVZHCZSA-N 1 2 388.508 3.622 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(C)n1-c1cccc(F)c1 ZINC000767913974 872932073 /nfs/dbraw/zinc/93/20/73/872932073.db2.gz VVJJZVXQWMFWJU-FPOVZHCZSA-N 1 2 388.508 3.622 20 10 GHCDLO CCCN(CCC)c1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000768131977 873104731 /nfs/dbraw/zinc/10/47/31/873104731.db2.gz DLWCEBIVZCJKHG-UHFFFAOYSA-N 1 2 380.536 3.666 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)c1O ZINC000527617759 873358233 /nfs/dbraw/zinc/35/82/33/873358233.db2.gz GEEXSVCBJQSQCB-UHFFFAOYSA-N 1 2 376.298 3.935 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c1O ZINC000527617759 873358245 /nfs/dbraw/zinc/35/82/45/873358245.db2.gz GEEXSVCBJQSQCB-UHFFFAOYSA-N 1 2 376.298 3.935 20 10 GHCDLO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768818789 873603269 /nfs/dbraw/zinc/60/32/69/873603269.db2.gz XWOOXOXOMCDIHZ-OAHLLOKOSA-N 1 2 398.894 3.974 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(Br)c(F)cc1O ZINC000528005038 873876121 /nfs/dbraw/zinc/87/61/21/873876121.db2.gz SHHHHCCRZFRMIR-HWPZZCPQSA-N 1 2 393.256 3.771 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCOC3(CCOCC3)CC2)c(C)n1-c1ccccc1 ZINC000769230067 873905843 /nfs/dbraw/zinc/90/58/43/873905843.db2.gz OODLATRJVQPCOM-UHFFFAOYSA-N 1 2 382.504 3.548 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCOC3(CCOCC3)CC2)c(C)n1-c1ccccc1 ZINC000769230067 873905857 /nfs/dbraw/zinc/90/58/57/873905857.db2.gz OODLATRJVQPCOM-UHFFFAOYSA-N 1 2 382.504 3.548 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1OCC(=O)N(C)C ZINC001199411830 874975433 /nfs/dbraw/zinc/97/54/33/874975433.db2.gz BHOZHCMDSLWZLE-QGZVFWFLSA-N 1 2 394.874 3.893 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)CCc2cnccn2)c(C)n1-c1ccc(C)c(F)c1 ZINC000771459044 875256083 /nfs/dbraw/zinc/25/60/83/875256083.db2.gz AKIALDCZCJQJHG-UHFFFAOYSA-N 1 2 380.467 3.689 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)CCc2cnccn2)c(C)n1-c1ccc(C)c(F)c1 ZINC000771459044 875256093 /nfs/dbraw/zinc/25/60/93/875256093.db2.gz AKIALDCZCJQJHG-UHFFFAOYSA-N 1 2 380.467 3.689 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(c3ccon3)CC2)c(C)n1-c1ccc(F)cn1 ZINC000852672750 878509404 /nfs/dbraw/zinc/50/94/04/878509404.db2.gz IMRPPZRDXUPXDO-UHFFFAOYSA-N 1 2 382.439 3.679 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789025177 878549284 /nfs/dbraw/zinc/54/92/84/878549284.db2.gz PAJCHRKRLLHPEF-UHFFFAOYSA-N 1 2 395.551 3.683 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000858933282 883473846 /nfs/dbraw/zinc/47/38/46/883473846.db2.gz LVUWOIJIWDAWKF-UHFFFAOYSA-N 1 2 390.487 3.509 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCCCn2cc[nH+]c2)ccc1C ZINC000859361045 883774760 /nfs/dbraw/zinc/77/47/60/883774760.db2.gz COUWGKBESCGGGP-UHFFFAOYSA-N 1 2 378.476 3.622 20 10 GHCDLO CC[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc(Cl)c1O ZINC000806129805 884387875 /nfs/dbraw/zinc/38/78/75/884387875.db2.gz KBCHMHBMQNWRTE-INIZCTEOSA-N 1 2 393.915 3.731 20 10 GHCDLO CC[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cccc(Cl)c1O ZINC000806183149 884423970 /nfs/dbraw/zinc/42/39/70/884423970.db2.gz NQMQZVGXMRPWOC-KBXCAEBGSA-N 1 2 394.924 3.550 20 10 GHCDLO COc1cccc([C@@H]2C[N@H+](Cc3c(O)cccc3Br)CCO2)c1 ZINC000862239041 886239113 /nfs/dbraw/zinc/23/91/13/886239113.db2.gz SNQRYJBVMJDONW-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cccc([C@@H]2C[N@@H+](Cc3c(O)cccc3Br)CCO2)c1 ZINC000862239041 886239134 /nfs/dbraw/zinc/23/91/34/886239134.db2.gz SNQRYJBVMJDONW-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cc(C)cc(C[N@@H+]2CCOc3c(Br)cccc3C2)c1O ZINC000794649475 887721815 /nfs/dbraw/zinc/72/18/15/887721815.db2.gz LJWZXICNFKJENL-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO COc1cc(C)cc(C[N@H+]2CCOc3c(Br)cccc3C2)c1O ZINC000794649475 887721827 /nfs/dbraw/zinc/72/18/27/887721827.db2.gz LJWZXICNFKJENL-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)ccc1N1CCCCC1 ZINC000809705449 887723805 /nfs/dbraw/zinc/72/38/05/887723805.db2.gz VMZBOHYLTKXRFW-UHFFFAOYSA-N 1 2 383.448 3.685 20 10 GHCDLO O=[N+]([O-])c1cc(C[N@H+]2CCOc3cc(O)ccc3C2)ccc1N1CCCCC1 ZINC000809705449 887723811 /nfs/dbraw/zinc/72/38/11/887723811.db2.gz VMZBOHYLTKXRFW-UHFFFAOYSA-N 1 2 383.448 3.685 20 10 GHCDLO OC1CCN(c2ccc(CNc3cc(NCc4ccccc4)[nH+]cn3)cc2)CC1 ZINC000865953236 888663024 /nfs/dbraw/zinc/66/30/24/888663024.db2.gz ZZCDNHWUXGJETI-UHFFFAOYSA-N 1 2 389.503 3.662 20 10 GHCDLO OC1CCN(c2ccc(CNc3cc(NCc4ccccc4)nc[nH+]3)cc2)CC1 ZINC000865953236 888663029 /nfs/dbraw/zinc/66/30/29/888663029.db2.gz ZZCDNHWUXGJETI-UHFFFAOYSA-N 1 2 389.503 3.662 20 10 GHCDLO Cc1cc(C(=O)NCc2c[nH+]cn2C)c(C)n1-c1ccccc1Br ZINC000811588938 889769891 /nfs/dbraw/zinc/76/98/91/889769891.db2.gz FGXFWBOGCVWSHM-UHFFFAOYSA-N 1 2 387.281 3.520 20 10 GHCDLO CCCC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000917110469 891275121 /nfs/dbraw/zinc/27/51/21/891275121.db2.gz UDTHVRXQRZRZSC-UHFFFAOYSA-N 1 2 399.510 3.797 20 10 GHCDLO CN(C)c1ccc(CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C2CC2)cc1 ZINC000873967814 891908737 /nfs/dbraw/zinc/90/87/37/891908737.db2.gz XNUDVJFTQQLZGD-KRWDZBQOSA-N 1 2 380.414 3.634 20 10 GHCDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC000875406775 892598144 /nfs/dbraw/zinc/59/81/44/892598144.db2.gz FTWWRZPWWOSQNV-HXUWFJFHSA-N 1 2 376.460 3.672 20 10 GHCDLO CC[N@H+](Cc1ncc(C2OCCO2)s1)Cc1cc(Br)ccc1O ZINC000289072578 914023265 /nfs/dbraw/zinc/02/32/65/914023265.db2.gz CQRIYEXDYDAXKC-UHFFFAOYSA-N 1 2 399.310 3.679 20 10 GHCDLO CC[N@@H+](Cc1ncc(C2OCCO2)s1)Cc1cc(Br)ccc1O ZINC000289072578 914023276 /nfs/dbraw/zinc/02/32/76/914023276.db2.gz CQRIYEXDYDAXKC-UHFFFAOYSA-N 1 2 399.310 3.679 20 10 GHCDLO COc1c(O)c(CNCC2([NH+]3CCCCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000774940832 914116279 /nfs/dbraw/zinc/11/62/79/914116279.db2.gz CXGPPXQOHVDYQG-UHFFFAOYSA-N 1 2 377.485 3.587 20 10 GHCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cc3c(c(Br)c1)OCO3)CCC2 ZINC001136847936 899507819 /nfs/dbraw/zinc/50/78/19/899507819.db2.gz NSWQEQOZVZZNJZ-UHFFFAOYSA-N 1 2 392.249 3.537 20 10 GHCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cc3c(c(Br)c1)OCO3)CCC2 ZINC001136847936 899507824 /nfs/dbraw/zinc/50/78/24/899507824.db2.gz NSWQEQOZVZZNJZ-UHFFFAOYSA-N 1 2 392.249 3.537 20 10 GHCDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(Br)cc1O ZINC000824702853 899776945 /nfs/dbraw/zinc/77/69/45/899776945.db2.gz STKLGMFGSQPBJN-UHFFFAOYSA-N 1 2 378.192 3.546 20 10 GHCDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(Br)cc1O ZINC000824702853 899776948 /nfs/dbraw/zinc/77/69/48/899776948.db2.gz STKLGMFGSQPBJN-UHFFFAOYSA-N 1 2 378.192 3.546 20 10 GHCDLO CCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000779075577 903920124 /nfs/dbraw/zinc/92/01/24/903920124.db2.gz YSCSSKMTIFASCY-IUCAKERBSA-N 1 2 381.108 3.993 20 10 GHCDLO COc1cc(OC)cc([C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)c2nccn2C)c1 ZINC000184960613 907687300 /nfs/dbraw/zinc/68/73/00/907687300.db2.gz DKDWFOQWNMHDKO-ZUOKHONESA-N 1 2 385.439 3.722 20 10 GHCDLO OCC1CCN(c2ccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccc(F)cc3)cc2)CC1 ZINC000187822922 908143955 /nfs/dbraw/zinc/14/39/55/908143955.db2.gz AWKNVCFEVNZHHS-JOCHJYFZSA-N 1 2 394.494 3.637 20 10 GHCDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001177128960 908401414 /nfs/dbraw/zinc/40/14/14/908401414.db2.gz TVRKPTIBJURGKN-KRWDZBQOSA-N 1 2 389.927 3.588 20 10 GHCDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001177128960 908401422 /nfs/dbraw/zinc/40/14/22/908401422.db2.gz TVRKPTIBJURGKN-KRWDZBQOSA-N 1 2 389.927 3.588 20 10 GHCDLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccc(N(C)C)cc1 ZINC000773617032 908423705 /nfs/dbraw/zinc/42/37/05/908423705.db2.gz MMOYZDQCDPJELU-IAGOWNOFSA-N 1 2 386.565 3.964 20 10 GHCDLO O=c1[nH]c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccc(Cl)cc12 ZINC000268110511 909771499 /nfs/dbraw/zinc/77/14/99/909771499.db2.gz QNMSYIOJULVGLJ-INIZCTEOSA-N 1 2 399.878 3.876 20 10 GHCDLO O=c1[nH]c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccc(Cl)cc12 ZINC000268110511 909771508 /nfs/dbraw/zinc/77/15/08/909771508.db2.gz QNMSYIOJULVGLJ-INIZCTEOSA-N 1 2 399.878 3.876 20 10 GHCDLO C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)cc(F)c1O ZINC000774395746 911707990 /nfs/dbraw/zinc/70/79/90/911707990.db2.gz KCCHJRPPMCARLP-GXSJLCMTSA-N 1 2 375.337 3.590 20 10 GHCDLO OC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Cc1cc(F)c(F)c(F)c1 ZINC000775167677 915971832 /nfs/dbraw/zinc/97/18/32/915971832.db2.gz KTQQVZFGVDCJIQ-SNVBAGLBSA-N 1 2 377.765 3.543 20 10 GHCDLO CC[N@H+](Cc1cc(Br)ccc1O)Cc1c(Cl)ncnc1N(C)C ZINC000801518733 921091758 /nfs/dbraw/zinc/09/17/58/921091758.db2.gz RPQRMCQNMAMSBM-UHFFFAOYSA-N 1 2 399.720 3.686 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)ccc1O)Cc1c(Cl)ncnc1N(C)C ZINC000801518733 921091770 /nfs/dbraw/zinc/09/17/70/921091770.db2.gz RPQRMCQNMAMSBM-UHFFFAOYSA-N 1 2 399.720 3.686 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000750044429 927402707 /nfs/dbraw/zinc/40/27/07/927402707.db2.gz JCNJCGGQZQUMQH-UHFFFAOYSA-N 1 2 392.927 3.863 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000750044429 927402715 /nfs/dbraw/zinc/40/27/15/927402715.db2.gz JCNJCGGQZQUMQH-UHFFFAOYSA-N 1 2 392.927 3.863 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)c1O ZINC000781342848 930803325 /nfs/dbraw/zinc/80/33/25/930803325.db2.gz FJULHWRBMGIISV-QGZVFWFLSA-N 1 2 385.357 3.659 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)c1O ZINC000781342848 930803331 /nfs/dbraw/zinc/80/33/31/930803331.db2.gz FJULHWRBMGIISV-QGZVFWFLSA-N 1 2 385.357 3.659 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000781346781 930806278 /nfs/dbraw/zinc/80/62/78/930806278.db2.gz MALBMEWYILDHMD-UHFFFAOYSA-N 1 2 395.547 3.776 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000781910328 931023920 /nfs/dbraw/zinc/02/39/20/931023920.db2.gz NVSGKUFAQSHDHH-NSHDSACASA-N 1 2 381.236 3.532 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000781910328 931023925 /nfs/dbraw/zinc/02/39/25/931023925.db2.gz NVSGKUFAQSHDHH-NSHDSACASA-N 1 2 381.236 3.532 20 10 GHCDLO CC(C)[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc4ccoc43)c2)CC1 ZINC000829742316 935854673 /nfs/dbraw/zinc/85/46/73/935854673.db2.gz LHLLXVLXFVBECL-UHFFFAOYSA-N 1 2 399.516 3.764 20 10 GHCDLO CC(C)O[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203568258 1027438647 /nfs/dbraw/zinc/43/86/47/1027438647.db2.gz HIUCWTKEOLIJRY-LBPRGKRZSA-N 1 2 393.119 3.917 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2Cc3cccc(O)c3C2)C[C@H](C)O1 ZINC000929768060 1017738072 /nfs/dbraw/zinc/73/80/72/1017738072.db2.gz GYCRYLNOMRYOSO-IYBDPMFKSA-N 1 2 381.476 3.549 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2Cc3cccc(O)c3C2)C[C@H](C)O1 ZINC000929768060 1017738080 /nfs/dbraw/zinc/73/80/80/1017738080.db2.gz GYCRYLNOMRYOSO-IYBDPMFKSA-N 1 2 381.476 3.549 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3ccc(Br)cc3N)CC2)cc1 ZINC001140225020 1021190208 /nfs/dbraw/zinc/19/02/08/1021190208.db2.gz JJWYGBJMMSZAPQ-UHFFFAOYSA-N 1 2 390.325 3.752 20 10 GHCDLO CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cccc(Cl)c1O ZINC000834839956 1021540399 /nfs/dbraw/zinc/54/03/99/1021540399.db2.gz GDGJNLYKOOCFBE-CQSZACIVSA-N 1 2 385.689 3.711 20 10 GHCDLO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)cc(Cl)c1O ZINC000834913702 1021676418 /nfs/dbraw/zinc/67/64/18/1021676418.db2.gz IWMDULVLFCQJDE-CHIMOYNISA-N 1 2 387.705 3.612 20 10 GHCDLO C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1cc(Br)c(F)cc1O ZINC000756359680 1023605353 /nfs/dbraw/zinc/60/53/53/1023605353.db2.gz QIMIPFJMXNPRRK-NWDGAFQWSA-N 1 2 376.266 3.530 20 10 GHCDLO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756381106 1023620334 /nfs/dbraw/zinc/62/03/34/1023620334.db2.gz KGAOIGYPPLGRTB-JTQLQIEISA-N 1 2 389.265 3.565 20 10 GHCDLO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000756779338 1023812381 /nfs/dbraw/zinc/81/23/81/1023812381.db2.gz JHUSXQJACLETMX-BMIZZYGASA-N 1 2 380.822 3.946 20 10 GHCDLO C[C@H]([NH2+]Cc1cocn1)c1cc(Br)cc(Br)c1O ZINC000756833377 1023828297 /nfs/dbraw/zinc/82/82/97/1023828297.db2.gz YZDYPQUKLYOIQQ-ZETCQYMHSA-N 1 2 376.048 3.756 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000756898185 1023850767 /nfs/dbraw/zinc/85/07/67/1023850767.db2.gz MYLPCPDKTXUXQQ-UHFFFAOYSA-N 1 2 381.495 3.687 20 10 GHCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c(OC)c1 ZINC001138389698 1024765966 /nfs/dbraw/zinc/76/59/66/1024765966.db2.gz KOHTUTDNXVSJTQ-UHFFFAOYSA-N 1 2 396.535 3.891 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ncccc3NC(=O)OC(C)(C)C)CC2)cc1 ZINC001138401642 1024780281 /nfs/dbraw/zinc/78/02/81/1024780281.db2.gz BFOCAZNPDBYMKT-UHFFFAOYSA-N 1 2 398.507 3.759 20 10 GHCDLO Brc1cc(C[N@@H+]2CCc3sccc3C2)ccc1N1CCOCC1 ZINC001138676108 1025200878 /nfs/dbraw/zinc/20/08/78/1025200878.db2.gz ADFMRYFZLLPOHG-UHFFFAOYSA-N 1 2 393.350 3.906 20 10 GHCDLO Brc1cc(C[N@H+]2CCc3sccc3C2)ccc1N1CCOCC1 ZINC001138676108 1025200887 /nfs/dbraw/zinc/20/08/87/1025200887.db2.gz ADFMRYFZLLPOHG-UHFFFAOYSA-N 1 2 393.350 3.906 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001139129408 1025941136 /nfs/dbraw/zinc/94/11/36/1025941136.db2.gz YTHJHVNKVXYMNO-UHFFFAOYSA-N 1 2 379.456 3.988 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001139129408 1025941149 /nfs/dbraw/zinc/94/11/49/1025941149.db2.gz YTHJHVNKVXYMNO-UHFFFAOYSA-N 1 2 379.456 3.988 20 10 GHCDLO COC1(c2ccccc2)CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139132193 1025944354 /nfs/dbraw/zinc/94/43/54/1025944354.db2.gz UIRLKNKOYUOWJC-UHFFFAOYSA-N 1 2 379.456 3.945 20 10 GHCDLO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001203429060 1027331336 /nfs/dbraw/zinc/33/13/36/1027331336.db2.gz VTHAXIBENVFGPG-KWQFWETISA-N 1 2 381.108 3.556 20 10 GHCDLO CC(C)O[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001203568258 1027438627 /nfs/dbraw/zinc/43/86/27/1027438627.db2.gz HIUCWTKEOLIJRY-LBPRGKRZSA-N 1 2 393.119 3.917 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)Cc2cnn(CC)c21 ZINC001203639728 1027498027 /nfs/dbraw/zinc/49/80/27/1027498027.db2.gz JBEIWYGSEZWXMI-OAHLLOKOSA-N 1 2 394.313 3.507 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)Cc2cnn(CC)c21 ZINC001203639728 1027498034 /nfs/dbraw/zinc/49/80/34/1027498034.db2.gz JBEIWYGSEZWXMI-OAHLLOKOSA-N 1 2 394.313 3.507 20 10 GHCDLO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(Br)c2O)cc1 ZINC001461432193 1069546994 /nfs/dbraw/zinc/54/69/94/1069546994.db2.gz NTUTYULYBQUBBE-HNNXBMFYSA-N 1 2 384.701 3.810 20 10 GHCDLO OC[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)C[C@@H]1c1ccc(F)cc1 ZINC001461436955 1069549725 /nfs/dbraw/zinc/54/97/25/1069549725.db2.gz SDLLIZVXKZCDSP-QAPCUYQASA-N 1 2 398.247 3.689 20 10 GHCDLO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)c(F)cc1O ZINC000841764748 1028922408 /nfs/dbraw/zinc/92/24/08/1028922408.db2.gz ZRTOYFBTUOHMKS-LLVKDONJSA-N 1 2 390.293 3.512 20 10 GHCDLO O=C1CC2(CC[NH+](Cc3cc(F)c(F)cc3O)CC2)Oc2ccc(F)cc21 ZINC001142531255 1029033606 /nfs/dbraw/zinc/03/36/06/1029033606.db2.gz QGTSHVRBQSMCSQ-UHFFFAOYSA-N 1 2 377.362 3.810 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)cc(Cl)c1O ZINC000842887327 1029662916 /nfs/dbraw/zinc/66/29/16/1029662916.db2.gz YMSROECVFVQKLJ-RNCFNFMXSA-N 1 2 389.721 3.858 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)cc(Cl)c1O ZINC000842887334 1029663001 /nfs/dbraw/zinc/66/30/01/1029663001.db2.gz YMSROECVFVQKLJ-ZANVPECISA-N 1 2 389.721 3.858 20 10 GHCDLO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000843434640 1030007261 /nfs/dbraw/zinc/00/72/61/1030007261.db2.gz LXSYKOCQXHGACF-HQJQHLMTSA-N 1 2 381.133 3.901 20 10 GHCDLO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 ZINC001205876768 1033617547 /nfs/dbraw/zinc/61/75/47/1033617547.db2.gz WGSGHPBBQDGWGC-LXXRFIIISA-N 1 2 383.483 3.904 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(O)c(C(F)(F)F)c3)CC2)c(OC)c1 ZINC001231525943 1034678989 /nfs/dbraw/zinc/67/89/89/1034678989.db2.gz JBYOXCHMIAHVJW-UHFFFAOYSA-N 1 2 396.409 3.750 20 10 GHCDLO Cc1cc(C)c(C[N@@H+]2CCn3c(COCC4CCOCC4)cnc3[C@H]2C)c(O)c1 ZINC001231845205 1034939783 /nfs/dbraw/zinc/93/97/83/1034939783.db2.gz XFNUCGFSSOGHNB-GOSISDBHSA-N 1 2 399.535 3.726 20 10 GHCDLO Cc1cc(C)c(C[N@H+]2CCn3c(COCC4CCOCC4)cnc3[C@H]2C)c(O)c1 ZINC001231845205 1034939785 /nfs/dbraw/zinc/93/97/85/1034939785.db2.gz XFNUCGFSSOGHNB-GOSISDBHSA-N 1 2 399.535 3.726 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)cc1Cl ZINC001231867030 1034954257 /nfs/dbraw/zinc/95/42/57/1034954257.db2.gz KDPCWHKIEFKUFJ-MRXNPFEDSA-N 1 2 398.894 3.661 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)cc1Cl ZINC001231867030 1034954259 /nfs/dbraw/zinc/95/42/59/1034954259.db2.gz KDPCWHKIEFKUFJ-MRXNPFEDSA-N 1 2 398.894 3.661 20 10 GHCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001231913175 1034987690 /nfs/dbraw/zinc/98/76/90/1034987690.db2.gz GVHQNTPIUBSDLY-UHFFFAOYSA-N 1 2 380.879 3.825 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@@H]2CCN2C(=O)OC(C)(C)C)C1 ZINC001208990755 1035139621 /nfs/dbraw/zinc/13/96/21/1035139621.db2.gz JDYWBDSZGNDWSA-HNNXBMFYSA-N 1 2 385.508 3.554 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@@H]2CCN2C(=O)OC(C)(C)C)C1 ZINC001208990755 1035139624 /nfs/dbraw/zinc/13/96/24/1035139624.db2.gz JDYWBDSZGNDWSA-HNNXBMFYSA-N 1 2 385.508 3.554 20 10 GHCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cc1Cl ZINC001232259786 1037981113 /nfs/dbraw/zinc/98/11/13/1037981113.db2.gz JMFIBIKSFJCAGZ-OAQYLSRUSA-N 1 2 388.895 3.623 20 10 GHCDLO Oc1cc(O)c(C[N@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cc1Cl ZINC001232259786 1037981121 /nfs/dbraw/zinc/98/11/21/1037981121.db2.gz JMFIBIKSFJCAGZ-OAQYLSRUSA-N 1 2 388.895 3.623 20 10 GHCDLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263622 1037984194 /nfs/dbraw/zinc/98/41/94/1037984194.db2.gz TZNBSQUUYQHQGK-CQSZACIVSA-N 1 2 384.904 3.973 20 10 GHCDLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263622 1037984198 /nfs/dbraw/zinc/98/41/98/1037984198.db2.gz TZNBSQUUYQHQGK-CQSZACIVSA-N 1 2 384.904 3.973 20 10 GHCDLO COC(=O)c1c(C[NH+]2CCN(c3ccc(F)cc3F)CC2)c2ccccc2n1C ZINC001232406823 1038188849 /nfs/dbraw/zinc/18/88/49/1038188849.db2.gz YLGHGMMKGBFSKU-UHFFFAOYSA-N 1 2 399.441 3.565 20 10 GHCDLO O=C([C@H]1CCC[N@@H+](Cc2c(O)cc(Br)cc2F)C1)N1CCCCC1 ZINC001233030713 1038782420 /nfs/dbraw/zinc/78/24/20/1038782420.db2.gz LAURWSCCQQEHJU-ZDUSSCGKSA-N 1 2 399.304 3.518 20 10 GHCDLO O=C([C@H]1CCC[N@H+](Cc2c(O)cc(Br)cc2F)C1)N1CCCCC1 ZINC001233030713 1038782432 /nfs/dbraw/zinc/78/24/32/1038782432.db2.gz LAURWSCCQQEHJU-ZDUSSCGKSA-N 1 2 399.304 3.518 20 10 GHCDLO COc1cc(O)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1Br ZINC001233140921 1038919287 /nfs/dbraw/zinc/91/92/87/1038919287.db2.gz YDHRQIYCNKFKQA-UHFFFAOYSA-N 1 2 396.203 3.507 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233287781 1039065397 /nfs/dbraw/zinc/06/53/97/1039065397.db2.gz HKBWDSXCXYWZGV-CABCVRRESA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233287781 1039065418 /nfs/dbraw/zinc/06/54/18/1039065418.db2.gz HKBWDSXCXYWZGV-CABCVRRESA-N 1 2 382.888 3.638 20 10 GHCDLO Cc1cccc(NC(=O)NC2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)c1 ZINC001233336337 1039137074 /nfs/dbraw/zinc/13/70/74/1039137074.db2.gz IMVXKRYMQICJEH-UHFFFAOYSA-N 1 2 375.419 3.765 20 10 GHCDLO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(Br)cc(F)c1O ZINC001235057729 1040548329 /nfs/dbraw/zinc/54/83/29/1040548329.db2.gz BSSFXXCAMYAGNS-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(Br)cc(F)c1O ZINC001235057729 1040548334 /nfs/dbraw/zinc/54/83/34/1040548334.db2.gz BSSFXXCAMYAGNS-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001235302830 1040775958 /nfs/dbraw/zinc/77/59/58/1040775958.db2.gz UMMRYYODFYEXBS-UHFFFAOYSA-N 1 2 381.245 3.732 20 10 GHCDLO COc1cccc(C[N@H+](C)Cc2cc(F)cc(Br)c2O)c1OC ZINC001235304848 1040778480 /nfs/dbraw/zinc/77/84/80/1040778480.db2.gz DQVOZODBEKNELW-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1cccc(C[N@@H+](C)Cc2cc(F)cc(Br)c2O)c1OC ZINC001235304848 1040778501 /nfs/dbraw/zinc/77/85/01/1040778501.db2.gz DQVOZODBEKNELW-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C[C@@H]1C ZINC001235307105 1040780731 /nfs/dbraw/zinc/78/07/31/1040780731.db2.gz KWGYTFLZLPMWLN-RYUDHWBXSA-N 1 2 388.277 3.705 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794900 1041899002 /nfs/dbraw/zinc/89/90/02/1041899002.db2.gz FNOPEGYRVGOPAB-HZPDHXFCSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794900 1041899006 /nfs/dbraw/zinc/89/90/06/1041899006.db2.gz FNOPEGYRVGOPAB-HZPDHXFCSA-N 1 2 382.888 3.638 20 10 GHCDLO Oc1cc(OCC(F)(F)F)ccc1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001237061742 1042016233 /nfs/dbraw/zinc/01/62/33/1042016233.db2.gz HFGMGVPMEVHCSE-MRXNPFEDSA-N 1 2 394.384 3.639 20 10 GHCDLO Cn1c2ccccc2n(C2CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)c1=O ZINC001237123087 1042050817 /nfs/dbraw/zinc/05/08/17/1042050817.db2.gz BOTWNWPHCLOGKY-UHFFFAOYSA-N 1 2 389.858 3.675 20 10 GHCDLO CC(C)n1nc(C[NH+](C)C)c2c1CN(Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237123139 1042051133 /nfs/dbraw/zinc/05/11/33/1042051133.db2.gz HUIVKWIRBIDUHI-UHFFFAOYSA-N 1 2 380.895 3.582 20 10 GHCDLO Cc1cc(Br)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1O ZINC001237307368 1042136741 /nfs/dbraw/zinc/13/67/41/1042136741.db2.gz MKTSQWAEADZZOU-UHFFFAOYSA-N 1 2 378.266 3.823 20 10 GHCDLO Cc1cc(Br)c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc1O ZINC001237307368 1042136746 /nfs/dbraw/zinc/13/67/46/1042136746.db2.gz MKTSQWAEADZZOU-UHFFFAOYSA-N 1 2 378.266 3.823 20 10 GHCDLO O=C1NCc2ccccc2CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237617470 1042284193 /nfs/dbraw/zinc/28/41/93/1042284193.db2.gz AGIPUEBVTPIJFK-UHFFFAOYSA-N 1 2 388.870 3.639 20 10 GHCDLO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]21 ZINC001237620644 1042287881 /nfs/dbraw/zinc/28/78/81/1042287881.db2.gz VZSBGASPDVNATN-SCLBCKFNSA-N 1 2 392.833 3.670 20 10 GHCDLO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]21 ZINC001237620644 1042287889 /nfs/dbraw/zinc/28/78/89/1042287889.db2.gz VZSBGASPDVNATN-SCLBCKFNSA-N 1 2 392.833 3.670 20 10 GHCDLO CCOC(=O)c1coc(C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)n1 ZINC001237623159 1042289642 /nfs/dbraw/zinc/28/96/42/1042289642.db2.gz IZJYBSWQNNEADR-UHFFFAOYSA-N 1 2 382.819 3.729 20 10 GHCDLO Oc1c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792151 1042372346 /nfs/dbraw/zinc/37/23/46/1042372346.db2.gz PTQJURQBZUIFMR-TVQRCGJNSA-N 1 2 380.204 3.784 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792151 1042372350 /nfs/dbraw/zinc/37/23/50/1042372350.db2.gz PTQJURQBZUIFMR-TVQRCGJNSA-N 1 2 380.204 3.784 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237799154 1042375704 /nfs/dbraw/zinc/37/57/04/1042375704.db2.gz OJFNFDDYUFCKOS-QMMMGPOBSA-N 1 2 379.741 3.966 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001237799154 1042375708 /nfs/dbraw/zinc/37/57/08/1042375708.db2.gz OJFNFDDYUFCKOS-QMMMGPOBSA-N 1 2 379.741 3.966 20 10 GHCDLO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1O ZINC001237798484 1042375993 /nfs/dbraw/zinc/37/59/93/1042375993.db2.gz GNDWYWDYUBUPBZ-ROUUACIJSA-N 1 2 376.859 3.808 20 10 GHCDLO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1O ZINC001237798484 1042375998 /nfs/dbraw/zinc/37/59/98/1042375998.db2.gz GNDWYWDYUBUPBZ-ROUUACIJSA-N 1 2 376.859 3.808 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001237800952 1042376677 /nfs/dbraw/zinc/37/66/77/1042376677.db2.gz PXFJMULOIHKFMP-BHIYHBOVSA-N 1 2 392.858 3.781 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001237800952 1042376680 /nfs/dbraw/zinc/37/66/80/1042376680.db2.gz PXFJMULOIHKFMP-BHIYHBOVSA-N 1 2 392.858 3.781 20 10 GHCDLO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cc(F)cc(Cl)c1O)[C@@H]2C ZINC001237801055 1042377336 /nfs/dbraw/zinc/37/73/36/1042377336.db2.gz QUULGXPDUZJJIM-CYBMUJFWSA-N 1 2 380.895 3.798 20 10 GHCDLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1cc(F)cc(Cl)c1O)[C@@H]2C ZINC001237801055 1042377341 /nfs/dbraw/zinc/37/73/41/1042377341.db2.gz QUULGXPDUZJJIM-CYBMUJFWSA-N 1 2 380.895 3.798 20 10 GHCDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237803742 1042378868 /nfs/dbraw/zinc/37/88/68/1042378868.db2.gz UODCDTBBRTWEII-UHFFFAOYSA-N 1 2 377.847 3.971 20 10 GHCDLO O=C1Nc2c(cccc2F)C12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237814009 1042382286 /nfs/dbraw/zinc/38/22/86/1042382286.db2.gz OMHGUSIXLKAJBD-UHFFFAOYSA-N 1 2 378.806 3.810 20 10 GHCDLO O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001239170930 1042778770 /nfs/dbraw/zinc/77/87/70/1042778770.db2.gz QAQZNMRNABUYKI-PXFSWQRTSA-N 1 2 398.410 3.627 20 10 GHCDLO O=C(Cc1ccsc1)N1CC2(C1)CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001279442390 1047809103 /nfs/dbraw/zinc/80/91/03/1047809103.db2.gz PPDJPLWRFGIXEK-UHFFFAOYSA-N 1 2 390.936 3.774 20 10 GHCDLO O=C(Cc1ccsc1)N1CC2(C1)CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001279442390 1047809111 /nfs/dbraw/zinc/80/91/11/1047809111.db2.gz PPDJPLWRFGIXEK-UHFFFAOYSA-N 1 2 390.936 3.774 20 10 GHCDLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c(O)cc1Br ZINC001279826479 1047962536 /nfs/dbraw/zinc/96/25/36/1047962536.db2.gz QBWVPWPPPSJSGY-CALCHBBNSA-N 1 2 390.325 3.640 20 10 GHCDLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c(O)cc1Br ZINC001279826479 1047962541 /nfs/dbraw/zinc/96/25/41/1047962541.db2.gz QBWVPWPPPSJSGY-CALCHBBNSA-N 1 2 390.325 3.640 20 10 GHCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001279940802 1047995803 /nfs/dbraw/zinc/99/58/03/1047995803.db2.gz MQBINFCUALCHBT-GASCZTMLSA-N 1 2 379.932 3.720 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3c4ccccc4C[N@H+]3C)ccc21 ZINC001287948139 1048954866 /nfs/dbraw/zinc/95/48/66/1048954866.db2.gz QVHJZBALYSQJDL-HSZRJFAPSA-N 1 2 391.515 3.821 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3c4ccccc4C[N@@H+]3C)ccc21 ZINC001287948139 1048954867 /nfs/dbraw/zinc/95/48/67/1048954867.db2.gz QVHJZBALYSQJDL-HSZRJFAPSA-N 1 2 391.515 3.821 20 10 GHCDLO CC(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001307529156 1049374892 /nfs/dbraw/zinc/37/48/92/1049374892.db2.gz HOJBAMDFCXASOM-CVEARBPZSA-N 1 2 390.483 3.767 20 10 GHCDLO CC(C)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001307529156 1049374903 /nfs/dbraw/zinc/37/49/03/1049374903.db2.gz HOJBAMDFCXASOM-CVEARBPZSA-N 1 2 390.483 3.767 20 10 GHCDLO CC(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001307529160 1049374956 /nfs/dbraw/zinc/37/49/56/1049374956.db2.gz HOJBAMDFCXASOM-HZPDHXFCSA-N 1 2 390.483 3.767 20 10 GHCDLO CC(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001307529160 1049374967 /nfs/dbraw/zinc/37/49/67/1049374967.db2.gz HOJBAMDFCXASOM-HZPDHXFCSA-N 1 2 390.483 3.767 20 10 GHCDLO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@H]1C ZINC001307703684 1049519537 /nfs/dbraw/zinc/51/95/37/1049519537.db2.gz XVZXXTROELMKGA-ARFHVFGLSA-N 1 2 390.483 3.909 20 10 GHCDLO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@H]1C ZINC001307703684 1049519550 /nfs/dbraw/zinc/51/95/50/1049519550.db2.gz XVZXXTROELMKGA-ARFHVFGLSA-N 1 2 390.483 3.909 20 10 GHCDLO CCOC(=O)c1c(NC(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)sc(C)c1-c1ccccc1 ZINC001308069765 1049816263 /nfs/dbraw/zinc/81/62/63/1049816263.db2.gz WZGCPFIHZHEMOX-IYBDPMFKSA-N 1 2 384.501 3.790 20 10 GHCDLO CCOC(=O)c1c(NC(=O)C[N@H+]2C[C@@H]3C[C@@H]3C2)sc(C)c1-c1ccccc1 ZINC001308069765 1049816275 /nfs/dbraw/zinc/81/62/75/1049816275.db2.gz WZGCPFIHZHEMOX-IYBDPMFKSA-N 1 2 384.501 3.790 20 10 GHCDLO COc1ccc(O[C@H](C)C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001308293557 1049940313 /nfs/dbraw/zinc/94/03/13/1049940313.db2.gz UOEKXHFRMYTKON-LLVKDONJSA-N 1 2 384.245 3.860 20 10 GHCDLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1cc(Br)cc(F)c1O ZINC001308967814 1050229022 /nfs/dbraw/zinc/22/90/22/1050229022.db2.gz JWRZPRAFJSKQIQ-UHFFFAOYSA-N 1 2 376.266 3.848 20 10 GHCDLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cc(Br)cc(F)c1O ZINC001308967814 1050229028 /nfs/dbraw/zinc/22/90/28/1050229028.db2.gz JWRZPRAFJSKQIQ-UHFFFAOYSA-N 1 2 376.266 3.848 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCOc3cccc(Br)c3C2)cc1OC ZINC000848502707 1057137185 /nfs/dbraw/zinc/13/71/85/1057137185.db2.gz RYGOIJOFRCEKTP-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCOc3cccc(Br)c3C2)cc1OC ZINC000848502707 1057137189 /nfs/dbraw/zinc/13/71/89/1057137189.db2.gz RYGOIJOFRCEKTP-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO Cc1cc(CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccc1 ZINC001446011158 1059677650 /nfs/dbraw/zinc/67/76/50/1059677650.db2.gz BZZHREKAIZPTEA-VGOFRKELSA-N 1 2 376.504 3.943 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC001436111002 1063201989 /nfs/dbraw/zinc/20/19/89/1063201989.db2.gz PXVMSIXGCXQOGR-QGZVFWFLSA-N 1 2 389.927 3.540 20 10 GHCDLO COc1ccc(O)c([C@@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2F)c1 ZINC001458172319 1063628835 /nfs/dbraw/zinc/62/88/35/1063628835.db2.gz MJLKOQDWVABINO-GFCCVEGCSA-N 1 2 379.395 3.842 20 10 GHCDLO CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001460661058 1069066363 /nfs/dbraw/zinc/06/63/63/1069066363.db2.gz BRXLZJCBPTXPGP-FQEVSTJZSA-N 1 2 397.519 3.552 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000738400851 598702615 /nfs/dbraw/zinc/70/26/15/598702615.db2.gz LYRBSQAYOIUHMF-UHFFFAOYSA-N 1 2 379.395 3.507 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000738400851 598702616 /nfs/dbraw/zinc/70/26/16/598702616.db2.gz LYRBSQAYOIUHMF-UHFFFAOYSA-N 1 2 379.395 3.507 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)C[C@@H]1CCCO1 ZINC000278506987 835259019 /nfs/dbraw/zinc/25/90/19/835259019.db2.gz MHFWQBHACBBJEV-IBGZPJMESA-N 1 2 397.450 3.686 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)C[C@@H]1CCCO1 ZINC000278506987 835259027 /nfs/dbraw/zinc/25/90/27/835259027.db2.gz MHFWQBHACBBJEV-IBGZPJMESA-N 1 2 397.450 3.686 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)ccc21 ZINC000728611600 836028788 /nfs/dbraw/zinc/02/87/88/836028788.db2.gz RFGLJTPQAKLMPS-NRFANRHFSA-N 1 2 396.535 3.946 20 10 GHCDLO Cc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c(N(C)C)[nH+]1 ZINC000162257569 836418669 /nfs/dbraw/zinc/41/86/69/836418669.db2.gz RVHGAUXJYMFOPY-UHFFFAOYSA-N 1 2 380.448 3.989 20 10 GHCDLO O=C(C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1)N1CCCCC1 ZINC000893902708 844234709 /nfs/dbraw/zinc/23/47/09/844234709.db2.gz MJRQXJSDJOEDLR-UHFFFAOYSA-N 1 2 399.304 3.518 20 10 GHCDLO Cc1ccc(N2CCC(C(=O)NCc3cc(Cl)cc(Cl)c3O)CC2)[nH+]c1 ZINC000377088238 838975652 /nfs/dbraw/zinc/97/56/52/838975652.db2.gz HMNAUPCLFNWELG-UHFFFAOYSA-N 1 2 394.302 3.935 20 10 GHCDLO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141375117 843322912 /nfs/dbraw/zinc/32/29/12/843322912.db2.gz XJSQZQKVIQCAEP-INIZCTEOSA-N 1 2 390.705 3.973 20 10 GHCDLO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141375117 843322924 /nfs/dbraw/zinc/32/29/24/843322924.db2.gz XJSQZQKVIQCAEP-INIZCTEOSA-N 1 2 390.705 3.973 20 10 GHCDLO CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1O)[C@H]1CCOC1 ZINC000812775145 890953139 /nfs/dbraw/zinc/95/31/39/890953139.db2.gz HHURJBRNDLCVEE-LBPRGKRZSA-N 1 2 393.119 3.917 20 10 GHCDLO Cc1noc(C2(C)CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)n1 ZINC000894434045 851309810 /nfs/dbraw/zinc/30/98/10/851309810.db2.gz LJMIYRTUUWYLDG-UHFFFAOYSA-N 1 2 384.249 3.539 20 10 GHCDLO CCOc1cc(F)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC001143574805 851938654 /nfs/dbraw/zinc/93/86/54/851938654.db2.gz JZIJCSRIAHXOKP-UHFFFAOYSA-N 1 2 376.447 3.832 20 10 GHCDLO CCOc1cc(F)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC001143574805 851938661 /nfs/dbraw/zinc/93/86/61/851938661.db2.gz JZIJCSRIAHXOKP-UHFFFAOYSA-N 1 2 376.447 3.832 20 10 GHCDLO CC(C)(C)c1cnc(SCCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000164109835 853718176 /nfs/dbraw/zinc/71/81/76/853718176.db2.gz VHKSYMIVWQCQIA-UHFFFAOYSA-N 1 2 390.578 3.667 20 10 GHCDLO Cc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)c(C)n1-c1ccc(F)cc1 ZINC000743921468 868496537 /nfs/dbraw/zinc/49/65/37/868496537.db2.gz LMWHHTZJYXWOPG-UHFFFAOYSA-N 1 2 377.463 3.979 20 10 GHCDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000793690304 882367874 /nfs/dbraw/zinc/36/78/74/882367874.db2.gz UVNOYVFOWMQRLX-UHFFFAOYSA-N 1 2 385.414 3.524 20 10 GHCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)c1O ZINC000775678229 872807166 /nfs/dbraw/zinc/80/71/66/872807166.db2.gz CDPKKRVOVFYCJV-UHFFFAOYSA-N 1 2 380.822 3.590 20 10 GHCDLO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000527771512 873583570 /nfs/dbraw/zinc/58/35/70/873583570.db2.gz GHTVOCGFZMSGHW-MRXNPFEDSA-N 1 2 391.309 3.527 20 10 GHCDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(O)c1 ZINC000769149021 873850336 /nfs/dbraw/zinc/85/03/36/873850336.db2.gz XQVBRSKAVALRDR-UHFFFAOYSA-N 1 2 392.858 3.541 20 10 GHCDLO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000769414862 874032641 /nfs/dbraw/zinc/03/26/41/874032641.db2.gz KVYQKOKEJSOKNO-ZJUUUORDSA-N 1 2 391.281 3.858 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]Cc2ccc(F)c(F)c2O)C1 ZINC000716995175 874489742 /nfs/dbraw/zinc/48/97/42/874489742.db2.gz DWVBZAGAOFVPQT-GFCCVEGCSA-N 1 2 392.393 3.652 20 10 GHCDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cs1 ZINC000093737021 912407868 /nfs/dbraw/zinc/40/78/68/912407868.db2.gz ZTRDSWRPHMGFOK-AWEZNQCLSA-N 1 2 395.956 3.917 20 10 GHCDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1 ZINC000789727378 879233866 /nfs/dbraw/zinc/23/38/66/879233866.db2.gz OGOUDFYLXRVTEM-UHFFFAOYSA-N 1 2 391.493 3.812 20 10 GHCDLO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000776809796 880491054 /nfs/dbraw/zinc/49/10/54/880491054.db2.gz VKLKZTAKFIJUPB-JSGCOSHPSA-N 1 2 385.302 3.501 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cc(F)cc(F)c1O ZINC000806169172 884392210 /nfs/dbraw/zinc/39/22/10/884392210.db2.gz IPMAWGKCBZELKK-ZYHUDNBSSA-N 1 2 380.357 3.655 20 10 GHCDLO CC[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(Cl)c1O ZINC000806165741 884420543 /nfs/dbraw/zinc/42/05/43/884420543.db2.gz ONADJAMXLRTNNI-KXBFYZLASA-N 1 2 388.895 3.766 20 10 GHCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(OC(F)(F)F)c3)C1)OCO2 ZINC000808232957 886162014 /nfs/dbraw/zinc/16/20/14/886162014.db2.gz ZYMMPKAOQCVCIV-GOSISDBHSA-N 1 2 397.349 3.593 20 10 GHCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(OC(F)(F)F)c3)C1)OCO2 ZINC000808232957 886162022 /nfs/dbraw/zinc/16/20/22/886162022.db2.gz ZYMMPKAOQCVCIV-GOSISDBHSA-N 1 2 397.349 3.593 20 10 GHCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3nccc4sccc43)CC2)c1O ZINC000808779495 886766225 /nfs/dbraw/zinc/76/62/25/886766225.db2.gz GUIPOSYIUUQNBW-UHFFFAOYSA-N 1 2 385.464 3.666 20 10 GHCDLO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000809706520 887725510 /nfs/dbraw/zinc/72/55/10/887725510.db2.gz BOTQPZCSGBXAFM-NXEZZACHSA-N 1 2 393.119 3.679 20 10 GHCDLO CC(C)[N@H+](Cc1cc(Br)cc(Br)c1O)[C@H]1CCOC1 ZINC000812775145 890953132 /nfs/dbraw/zinc/95/31/32/890953132.db2.gz HHURJBRNDLCVEE-LBPRGKRZSA-N 1 2 393.119 3.917 20 10 GHCDLO CC[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cccc(Cl)c1O ZINC000287854650 913565867 /nfs/dbraw/zinc/56/58/67/913565867.db2.gz XAWLMPXSUSWZRK-KDOFPFPSSA-N 1 2 375.900 3.907 20 10 GHCDLO O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645920 891591882 /nfs/dbraw/zinc/59/18/82/891591882.db2.gz VTEWCTLFCFHULW-UHFFFAOYSA-N 1 2 393.466 3.611 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)cc2)CC1 ZINC000874445644 892131697 /nfs/dbraw/zinc/13/16/97/892131697.db2.gz DTYPOIOAXJUCLQ-SFHVURJKSA-N 1 2 394.441 3.929 20 10 GHCDLO CC(C)(C)OC(=O)N(CC[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000218188095 895173458 /nfs/dbraw/zinc/17/34/58/895173458.db2.gz JKCVNDSHOVJNDL-UHFFFAOYSA-N 1 2 385.302 3.644 20 10 GHCDLO Oc1c(Br)cccc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000130294407 897050662 /nfs/dbraw/zinc/05/06/62/897050662.db2.gz WMBLMJQYVBXZKH-UHFFFAOYSA-N 1 2 382.689 3.525 20 10 GHCDLO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)c2ccccc21 ZINC000883076952 897256346 /nfs/dbraw/zinc/25/63/46/897256346.db2.gz SDTQSHGJEVCUSW-MRXNPFEDSA-N 1 2 393.256 3.881 20 10 GHCDLO CSCCCN1C(=O)/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000028963657 898051775 /nfs/dbraw/zinc/05/17/75/898051775.db2.gz WYUJNVFISLJAJD-RVDMUPIBSA-N 1 2 375.544 3.827 20 10 GHCDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824934108 899895081 /nfs/dbraw/zinc/89/50/81/899895081.db2.gz PUERMCOUKLBOBX-QFBILLFUSA-N 1 2 389.492 3.616 20 10 GHCDLO COc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824934108 899895088 /nfs/dbraw/zinc/89/50/88/899895088.db2.gz PUERMCOUKLBOBX-QFBILLFUSA-N 1 2 389.492 3.616 20 10 GHCDLO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000824950729 899903375 /nfs/dbraw/zinc/90/33/75/899903375.db2.gz WPLOTQXHKFHNPS-ZDUSSCGKSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000824950729 899903382 /nfs/dbraw/zinc/90/33/82/899903382.db2.gz WPLOTQXHKFHNPS-ZDUSSCGKSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1cc(Br)ccc1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000824970700 899919457 /nfs/dbraw/zinc/91/94/57/899919457.db2.gz WCPMGCLGVMAWHI-UHFFFAOYSA-N 1 2 377.282 3.728 20 10 GHCDLO COc1ccc(F)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1Cl ZINC001143368970 900230129 /nfs/dbraw/zinc/23/01/29/900230129.db2.gz GXNNZCUZEAHCJR-UHFFFAOYSA-N 1 2 378.875 3.956 20 10 GHCDLO COc1ccc(F)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1Cl ZINC001143368970 900230138 /nfs/dbraw/zinc/23/01/38/900230138.db2.gz GXNNZCUZEAHCJR-UHFFFAOYSA-N 1 2 378.875 3.956 20 10 GHCDLO CCc1noc(C2CC[NH+](Cc3cc(Br)c(F)cc3O)CC2)n1 ZINC001144306519 901685983 /nfs/dbraw/zinc/68/59/83/901685983.db2.gz FIZYNPNNMPGLKB-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)c(F)cc1O ZINC000846216584 902793277 /nfs/dbraw/zinc/79/32/77/902793277.db2.gz SJBCVVVWRVNFOM-ZUZCIYMTSA-N 1 2 395.272 3.721 20 10 GHCDLO CC(C)c1ccccc1/C=C1\SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000846757513 903175185 /nfs/dbraw/zinc/17/51/85/903175185.db2.gz ZOGJAPHQRPSOLF-JXAWBTAJSA-N 1 2 390.574 3.734 20 10 GHCDLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000773248425 904612381 /nfs/dbraw/zinc/61/23/81/904612381.db2.gz ZLECCUNAXXUAMS-OAHLLOKOSA-N 1 2 381.455 3.638 20 10 GHCDLO COc1cc(OC)cc([C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)c2nccn2C)c1 ZINC000184960566 907687850 /nfs/dbraw/zinc/68/78/50/907687850.db2.gz DKDWFOQWNMHDKO-RBZFPXEDSA-N 1 2 385.439 3.722 20 10 GHCDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000779611504 907885037 /nfs/dbraw/zinc/88/50/37/907885037.db2.gz JQTZDFRLCXYIDS-OAQYLSRUSA-N 1 2 377.488 3.827 20 10 GHCDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1Cc1ccccc1O ZINC000779611504 907885051 /nfs/dbraw/zinc/88/50/51/907885051.db2.gz JQTZDFRLCXYIDS-OAQYLSRUSA-N 1 2 377.488 3.827 20 10 GHCDLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccc(N(C)C)cc1 ZINC000773617036 908424010 /nfs/dbraw/zinc/42/40/10/908424010.db2.gz MMOYZDQCDPJELU-SJORKVTESA-N 1 2 386.565 3.964 20 10 GHCDLO C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)NC(=O)OC(C)(C)C ZINC000195142448 908972530 /nfs/dbraw/zinc/97/25/30/908972530.db2.gz AVCXWEPFDRMEHK-ZJUUUORDSA-N 1 2 391.281 3.858 20 10 GHCDLO O=C1OCCN1c1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001178284922 908986812 /nfs/dbraw/zinc/98/68/12/908986812.db2.gz FCPYUPASTKRWLI-UHFFFAOYSA-N 1 2 395.228 3.540 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH2+]CC(F)(F)C2(O)CCCCC2)c1 ZINC001179771357 909698021 /nfs/dbraw/zinc/69/80/21/909698021.db2.gz AKJQOSPNHXXXPQ-UHFFFAOYSA-N 1 2 378.257 3.883 20 10 GHCDLO COc1cccc([C@@H]2C[N@H+](Cc3cc(Br)ccc3O)CCO2)c1 ZINC000093079460 912049067 /nfs/dbraw/zinc/04/90/67/912049067.db2.gz ROQVJEAOPSQOJE-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cccc([C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCO2)c1 ZINC000093079460 912049090 /nfs/dbraw/zinc/04/90/90/912049090.db2.gz ROQVJEAOPSQOJE-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC000796339226 914892095 /nfs/dbraw/zinc/89/20/95/914892095.db2.gz SUGIRFWXSMTPSB-APWZRJJASA-N 1 2 394.437 3.770 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC000796339226 914892113 /nfs/dbraw/zinc/89/21/13/914892113.db2.gz SUGIRFWXSMTPSB-APWZRJJASA-N 1 2 394.437 3.770 20 10 GHCDLO O=C1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCN1c1cccc(Br)c1 ZINC000775204590 916254650 /nfs/dbraw/zinc/25/46/50/916254650.db2.gz PQEXELQEJREAAD-OAHLLOKOSA-N 1 2 395.684 3.703 20 10 GHCDLO Cc1ccc([C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000294720778 916946519 /nfs/dbraw/zinc/94/65/19/916946519.db2.gz PJERKQCAUCWFEM-SGTLLEGYSA-N 1 2 385.888 3.757 20 10 GHCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000365001655 920287546 /nfs/dbraw/zinc/28/75/46/920287546.db2.gz QTKMRBKLOBBULO-YLJYHZDGSA-N 1 2 375.472 3.941 20 10 GHCDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000749886366 927330303 /nfs/dbraw/zinc/33/03/03/927330303.db2.gz YPXYMJQZHUDAAA-UHFFFAOYSA-N 1 2 396.531 3.591 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000750038738 927399879 /nfs/dbraw/zinc/39/98/79/927399879.db2.gz JVKNZZZJFQECJC-OAHLLOKOSA-N 1 2 382.888 3.737 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000750038738 927399891 /nfs/dbraw/zinc/39/98/91/927399891.db2.gz JVKNZZZJFQECJC-OAHLLOKOSA-N 1 2 382.888 3.737 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)c(C)n1-c1cccc(C)c1 ZINC000784607280 931955958 /nfs/dbraw/zinc/95/59/58/931955958.db2.gz RXXSRPZBFRPRIF-UHFFFAOYSA-N 1 2 396.531 3.714 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCOCC3(CCOCC3)C2)c(C)n1-c1cccc(C)c1 ZINC000784607280 931955965 /nfs/dbraw/zinc/95/59/65/931955965.db2.gz RXXSRPZBFRPRIF-UHFFFAOYSA-N 1 2 396.531 3.714 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(Br)cc(F)c1O ZINC000927018500 932383214 /nfs/dbraw/zinc/38/32/14/932383214.db2.gz ZNEGUXPNHRBINX-WCQYABFASA-N 1 2 388.277 3.673 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c(C)n1-c1ccc(F)cn1 ZINC000828443088 935633029 /nfs/dbraw/zinc/63/30/29/935633029.db2.gz PLEPODWTXDXCDI-IBGZPJMESA-N 1 2 395.482 3.554 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)c(C)n1-c1ccc(F)cn1 ZINC000828443088 935633040 /nfs/dbraw/zinc/63/30/40/935633040.db2.gz PLEPODWTXDXCDI-IBGZPJMESA-N 1 2 395.482 3.554 20 10 GHCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCn3c(CCc4ccccc4)nnc3C2)cc1 ZINC000835026857 1021784005 /nfs/dbraw/zinc/78/40/05/1021784005.db2.gz XYVGXOZVWWNGQR-TWGQIWQCSA-N 1 2 387.531 3.658 20 10 GHCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCn3c(CCc4ccccc4)nnc3C2)cc1 ZINC000835026857 1021784022 /nfs/dbraw/zinc/78/40/22/1021784022.db2.gz XYVGXOZVWWNGQR-TWGQIWQCSA-N 1 2 387.531 3.658 20 10 GHCDLO O=C(c1ccsc1)N1CCC[C@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140581444 1022001841 /nfs/dbraw/zinc/00/18/41/1022001841.db2.gz SGNFEJRSTPIWQC-HXUWFJFHSA-N 1 2 392.471 3.860 20 10 GHCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000836781816 1023363377 /nfs/dbraw/zinc/36/33/77/1023363377.db2.gz VIRYNDLOPUDWBC-HKUYNNGSSA-N 1 2 375.472 3.941 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1O ZINC000756502687 1023687438 /nfs/dbraw/zinc/68/74/38/1023687438.db2.gz KRGLQJAQJFJRMJ-DTWKUNHWSA-N 1 2 385.199 3.581 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)c(F)cc1O ZINC000756502691 1023687514 /nfs/dbraw/zinc/68/75/14/1023687514.db2.gz KRGLQJAQJFJRMJ-RKDXNWHRSA-N 1 2 385.199 3.581 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)c(F)cc1O ZINC000756582065 1023720661 /nfs/dbraw/zinc/72/06/61/1023720661.db2.gz FMCAXODUIHTPAH-QJPTWQEYSA-N 1 2 387.293 3.591 20 10 GHCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cccc(I)c1)CCC2 ZINC001138228249 1024412732 /nfs/dbraw/zinc/41/27/32/1024412732.db2.gz QNMYAZZVQMCZGE-UHFFFAOYSA-N 1 2 395.240 3.651 20 10 GHCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cccc(I)c1)CCC2 ZINC001138228249 1024412739 /nfs/dbraw/zinc/41/27/39/1024412739.db2.gz QNMYAZZVQMCZGE-UHFFFAOYSA-N 1 2 395.240 3.651 20 10 GHCDLO CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000839054378 1025545810 /nfs/dbraw/zinc/54/58/10/1025545810.db2.gz CIHVOCUXBZHKHG-UHFFFAOYSA-N 1 2 385.302 3.549 20 10 GHCDLO Cc1ccc(C)c(N2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)c1 ZINC001139126869 1025939113 /nfs/dbraw/zinc/93/91/13/1025939113.db2.gz SOZAVWXGNBUENY-UHFFFAOYSA-N 1 2 378.472 3.746 20 10 GHCDLO CC(C)(C)OC(=O)N1CCCC12C[NH+](Cc1c(O)cccc1Br)C2 ZINC001140100429 1026877766 /nfs/dbraw/zinc/87/77/66/1026877766.db2.gz OVZNWMAQZULLBV-UHFFFAOYSA-N 1 2 397.313 3.740 20 10 GHCDLO Oc1cccc(Br)c1C[NH+]1CCN(c2ncccc2Cl)CC1 ZINC001140101070 1026879596 /nfs/dbraw/zinc/87/95/96/1026879596.db2.gz IVBKUXWSSXNOKG-UHFFFAOYSA-N 1 2 382.689 3.525 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@H+](Cc3cc(Cl)ccc3O)[C@@H](C)C2)cc1 ZINC001203664311 1027516220 /nfs/dbraw/zinc/51/62/20/1027516220.db2.gz XXCUPZPRXOJSBY-HNNXBMFYSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(CN2CC[N@@H+](Cc3cc(Cl)ccc3O)[C@@H](C)C2)cc1 ZINC001203664311 1027516228 /nfs/dbraw/zinc/51/62/28/1027516228.db2.gz XXCUPZPRXOJSBY-HNNXBMFYSA-N 1 2 388.895 3.539 20 10 GHCDLO COC(=O)c1ccc(C[N@H+]2CCN(Cc3cc(Cl)ccc3O)[C@@H](C)C2)cc1 ZINC001203664311 1027516249 /nfs/dbraw/zinc/51/62/49/1027516249.db2.gz XXCUPZPRXOJSBY-HNNXBMFYSA-N 1 2 388.895 3.539 20 10 GHCDLO CC(C)OCc1nn(CC2CC2)c2c1C[N@H+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512908 1029016622 /nfs/dbraw/zinc/01/66/22/1029016622.db2.gz PJVAHDACLXWYPD-UHFFFAOYSA-N 1 2 391.462 3.760 20 10 GHCDLO CC(C)OCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512908 1029016635 /nfs/dbraw/zinc/01/66/35/1029016635.db2.gz PJVAHDACLXWYPD-UHFFFAOYSA-N 1 2 391.462 3.760 20 10 GHCDLO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512846 1029017202 /nfs/dbraw/zinc/01/72/02/1029017202.db2.gz NINWLJMUXBSVTA-INIZCTEOSA-N 1 2 392.446 3.519 20 10 GHCDLO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512846 1029017214 /nfs/dbraw/zinc/01/72/14/1029017214.db2.gz NINWLJMUXBSVTA-INIZCTEOSA-N 1 2 392.446 3.519 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387411 1033482101 /nfs/dbraw/zinc/48/21/01/1033482101.db2.gz INWITIKPUQNQDI-FQEVSTJZSA-N 1 2 380.891 3.799 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387411 1033482105 /nfs/dbraw/zinc/48/21/05/1033482105.db2.gz INWITIKPUQNQDI-FQEVSTJZSA-N 1 2 380.891 3.799 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nccc(C)c2Br)cc1 ZINC001206544338 1033901660 /nfs/dbraw/zinc/90/16/60/1033901660.db2.gz JWVTWENSOOQJOP-UHFFFAOYSA-N 1 2 378.314 3.729 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nccc(C)c2Br)cc1 ZINC001206544338 1033901661 /nfs/dbraw/zinc/90/16/61/1033901661.db2.gz JWVTWENSOOQJOP-UHFFFAOYSA-N 1 2 378.314 3.729 20 10 GHCDLO CCOC(=O)c1c(C)cc(NCc2cc(Br)ccc2O)[nH+]c1C ZINC001160019704 1034832861 /nfs/dbraw/zinc/83/28/61/1034832861.db2.gz SEQSUYLDGJVOSZ-UHFFFAOYSA-N 1 2 379.254 3.955 20 10 GHCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879144 1034962493 /nfs/dbraw/zinc/96/24/93/1034962493.db2.gz WWVLAUDXUGMEKQ-NRFANRHFSA-N 1 2 392.503 3.558 20 10 GHCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879144 1034962500 /nfs/dbraw/zinc/96/25/00/1034962500.db2.gz WWVLAUDXUGMEKQ-NRFANRHFSA-N 1 2 392.503 3.558 20 10 GHCDLO O=C(C1CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1)C(F)(F)F ZINC001232203317 1035159726 /nfs/dbraw/zinc/15/97/26/1035159726.db2.gz UEFRMQLUUKQWKG-UHFFFAOYSA-N 1 2 390.833 3.520 20 10 GHCDLO CCC[N@@H+](Cc1ccc(OC)c(I)c1O)CC1CC1 ZINC001248476687 1035903706 /nfs/dbraw/zinc/90/37/06/1035903706.db2.gz MFXNWRGAQJKBGO-UHFFFAOYSA-N 1 2 375.250 3.627 20 10 GHCDLO CCC[N@H+](Cc1ccc(OC)c(I)c1O)CC1CC1 ZINC001248476687 1035903710 /nfs/dbraw/zinc/90/37/10/1035903710.db2.gz MFXNWRGAQJKBGO-UHFFFAOYSA-N 1 2 375.250 3.627 20 10 GHCDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001462113542 1070002763 /nfs/dbraw/zinc/00/27/63/1070002763.db2.gz UAMHMOAURWVODF-UHFFFAOYSA-N 1 2 380.257 3.903 20 10 GHCDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001462113542 1070002784 /nfs/dbraw/zinc/00/27/84/1070002784.db2.gz UAMHMOAURWVODF-UHFFFAOYSA-N 1 2 380.257 3.903 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC001462189492 1070067248 /nfs/dbraw/zinc/06/72/48/1070067248.db2.gz BOFUKTJSZILBHX-NSHDSACASA-N 1 2 395.276 3.669 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC001462189492 1070067264 /nfs/dbraw/zinc/06/72/64/1070067264.db2.gz BOFUKTJSZILBHX-NSHDSACASA-N 1 2 395.276 3.669 20 10 GHCDLO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2O)C1=O ZINC001462265317 1070132288 /nfs/dbraw/zinc/13/22/88/1070132288.db2.gz CZVGTDASOVGXBJ-YVEFUNNKSA-N 1 2 378.394 3.651 20 10 GHCDLO Oc1c(C[N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc(F)c1F ZINC001233079922 1038849620 /nfs/dbraw/zinc/84/96/20/1038849620.db2.gz NSVWYBSBFGZRDP-LLVKDONJSA-N 1 2 389.324 3.523 20 10 GHCDLO Oc1c(C[N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)ccc(F)c1F ZINC001233079922 1038849647 /nfs/dbraw/zinc/84/96/47/1038849647.db2.gz NSVWYBSBFGZRDP-LLVKDONJSA-N 1 2 389.324 3.523 20 10 GHCDLO CCOC(=O)c1c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c2ccccc2n1C ZINC001233272447 1039039113 /nfs/dbraw/zinc/03/91/13/1039039113.db2.gz LPUGYFRGFJLRML-NRFANRHFSA-N 1 2 378.472 3.929 20 10 GHCDLO CCOC(=O)c1c(C[N@H+]2CCO[C@H](c3ccccc3)C2)c2ccccc2n1C ZINC001233272447 1039039130 /nfs/dbraw/zinc/03/91/30/1039039130.db2.gz LPUGYFRGFJLRML-NRFANRHFSA-N 1 2 378.472 3.929 20 10 GHCDLO COc1cc(Cl)cc(C[NH+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001233290719 1039077045 /nfs/dbraw/zinc/07/70/45/1039077045.db2.gz SAZQWWNZBXCFDH-CHWSQXEVSA-N 1 2 384.904 3.884 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cnn(CC)c21 ZINC001233416946 1039274665 /nfs/dbraw/zinc/27/46/65/1039274665.db2.gz CKSKDKVFFFAFKS-HNNXBMFYSA-N 1 2 383.414 3.763 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cnn(CC)c21 ZINC001233416946 1039274671 /nfs/dbraw/zinc/27/46/71/1039274671.db2.gz CKSKDKVFFFAFKS-HNNXBMFYSA-N 1 2 383.414 3.763 20 10 GHCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001235236508 1040715423 /nfs/dbraw/zinc/71/54/23/1040715423.db2.gz ONCSJVOFNFTXJY-JOCHJYFZSA-N 1 2 380.536 3.859 20 10 GHCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001235236508 1040715441 /nfs/dbraw/zinc/71/54/41/1040715441.db2.gz ONCSJVOFNFTXJY-JOCHJYFZSA-N 1 2 380.536 3.859 20 10 GHCDLO CCc1ccc(CN2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)c(O)c1 ZINC001236788751 1041894768 /nfs/dbraw/zinc/89/47/68/1041894768.db2.gz QCMISNWHFNBMFV-UHFFFAOYSA-N 1 2 384.495 3.874 20 10 GHCDLO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001236801222 1041902889 /nfs/dbraw/zinc/90/28/89/1041902889.db2.gz HVPHBFBVHKYFGH-UHFFFAOYSA-N 1 2 389.879 3.718 20 10 GHCDLO CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001236801222 1041902891 /nfs/dbraw/zinc/90/28/91/1041902891.db2.gz HVPHBFBVHKYFGH-UHFFFAOYSA-N 1 2 389.879 3.718 20 10 GHCDLO COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c([O-])c1Cl ZINC001236802933 1041904706 /nfs/dbraw/zinc/90/47/06/1041904706.db2.gz WRMLWVBGIIZFGI-HUUCEWRRSA-N 1 2 378.925 3.680 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c(O)c1Cl ZINC001236803071 1041904825 /nfs/dbraw/zinc/90/48/25/1041904825.db2.gz DXKHXEVJKLUBHK-IBGZPJMESA-N 1 2 392.908 3.745 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c(O)c1Cl ZINC001236803071 1041904827 /nfs/dbraw/zinc/90/48/27/1041904827.db2.gz DXKHXEVJKLUBHK-IBGZPJMESA-N 1 2 392.908 3.745 20 10 GHCDLO CN(Cc1ccccc1)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCOCC1 ZINC001462573513 1070380692 /nfs/dbraw/zinc/38/06/92/1070380692.db2.gz NZXNLLBBWPMYDZ-UHFFFAOYSA-N 1 2 392.902 3.956 20 10 GHCDLO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4c(O)ccc(Cl)c4Cl)C[C@H]3O2)n1 ZINC001237078961 1042023941 /nfs/dbraw/zinc/02/39/41/1042023941.db2.gz DXPJBSNAZQPLFB-NZVBXONLSA-N 1 2 384.263 3.743 20 10 GHCDLO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4c(O)ccc(Cl)c4Cl)C[C@H]3O2)n1 ZINC001237078961 1042023944 /nfs/dbraw/zinc/02/39/44/1042023944.db2.gz DXPJBSNAZQPLFB-NZVBXONLSA-N 1 2 384.263 3.743 20 10 GHCDLO O=S(=O)(Cc1ccccc1C[N@@H+]1CCc2cccc(O)c2C1)c1ccccc1 ZINC001237238667 1042101939 /nfs/dbraw/zinc/10/19/39/1042101939.db2.gz KEANVNBVFYBHNZ-UHFFFAOYSA-N 1 2 393.508 3.924 20 10 GHCDLO O=S(=O)(Cc1ccccc1C[N@H+]1CCc2cccc(O)c2C1)c1ccccc1 ZINC001237238667 1042101940 /nfs/dbraw/zinc/10/19/40/1042101940.db2.gz KEANVNBVFYBHNZ-UHFFFAOYSA-N 1 2 393.508 3.924 20 10 GHCDLO O=C1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1cccc(F)c1 ZINC001237619912 1042286154 /nfs/dbraw/zinc/28/61/54/1042286154.db2.gz SHDXDHSDUSHVOT-FQEVSTJZSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1cccc(F)c1 ZINC001237619912 1042286161 /nfs/dbraw/zinc/28/61/61/1042286161.db2.gz SHDXDHSDUSHVOT-FQEVSTJZSA-N 1 2 392.833 3.953 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001237619445 1042286169 /nfs/dbraw/zinc/28/61/69/1042286169.db2.gz QADICAZFSFLYMV-QGZVFWFLSA-N 1 2 392.858 3.782 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]2C1 ZINC001237799043 1042375921 /nfs/dbraw/zinc/37/59/21/1042375921.db2.gz NKTOHZNQVUDPBX-GXTWGEPZSA-N 1 2 384.879 3.874 20 10 GHCDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]2C1 ZINC001237799043 1042375928 /nfs/dbraw/zinc/37/59/28/1042375928.db2.gz NKTOHZNQVUDPBX-GXTWGEPZSA-N 1 2 384.879 3.874 20 10 GHCDLO O=C1Nc2ccccc2C2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)N1 ZINC001237799670 1042376324 /nfs/dbraw/zinc/37/63/24/1042376324.db2.gz SPAKQNTZVJFLOR-UHFFFAOYSA-N 1 2 375.831 3.811 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237800307 1042376487 /nfs/dbraw/zinc/37/64/87/1042376487.db2.gz NKNJXZOJXPROMX-GOSISDBHSA-N 1 2 380.872 3.875 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237800307 1042376489 /nfs/dbraw/zinc/37/64/89/1042376489.db2.gz NKNJXZOJXPROMX-GOSISDBHSA-N 1 2 380.872 3.875 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1cc(F)c(Cl)cc1O)C[C@H]2COCC1CC1 ZINC001237939099 1042429646 /nfs/dbraw/zinc/42/96/46/1042429646.db2.gz SUUDUURXYPWCBK-HNNXBMFYSA-N 1 2 393.890 3.927 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1cc(F)c(Cl)cc1O)C[C@H]2COCC1CC1 ZINC001237939099 1042429648 /nfs/dbraw/zinc/42/96/48/1042429648.db2.gz SUUDUURXYPWCBK-HNNXBMFYSA-N 1 2 393.890 3.927 20 10 GHCDLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001302060561 1046797403 /nfs/dbraw/zinc/79/74/03/1046797403.db2.gz QJPUWJSMDRNVNP-QFIPXVFZSA-N 1 2 391.519 3.727 20 10 GHCDLO COc1cc(O)c(CN2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c(Cl)c1 ZINC001279665501 1047905258 /nfs/dbraw/zinc/90/52/58/1047905258.db2.gz PBROAVGUNXVTJU-UHFFFAOYSA-N 1 2 378.822 3.657 20 10 GHCDLO COc1cc(O)c(CN2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c(Cl)c1 ZINC001279665501 1047905259 /nfs/dbraw/zinc/90/52/59/1047905259.db2.gz PBROAVGUNXVTJU-UHFFFAOYSA-N 1 2 378.822 3.657 20 10 GHCDLO O=c1cccc(C[N@H+]2C[C@@H]3CCN(Cc4c(O)ccc(Cl)c4Cl)[C@@H]3C2)[nH]1 ZINC001279677112 1047910735 /nfs/dbraw/zinc/91/07/35/1047910735.db2.gz YAHCHDPBTVCOBK-BLLLJJGKSA-N 1 2 394.302 3.506 20 10 GHCDLO O=c1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4c(O)ccc(Cl)c4Cl)[C@@H]3C2)[nH]1 ZINC001279677112 1047910739 /nfs/dbraw/zinc/91/07/39/1047910739.db2.gz YAHCHDPBTVCOBK-BLLLJJGKSA-N 1 2 394.302 3.506 20 10 GHCDLO CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001279676636 1047910990 /nfs/dbraw/zinc/91/09/90/1047910990.db2.gz JZNVPYBMLQMKTP-HOTGVXAUSA-N 1 2 395.334 3.764 20 10 GHCDLO CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001279676636 1047910996 /nfs/dbraw/zinc/91/09/96/1047910996.db2.gz JZNVPYBMLQMKTP-HOTGVXAUSA-N 1 2 395.334 3.764 20 10 GHCDLO C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@@H+]1CCC[C@H](C)CC1 ZINC001307439905 1049276218 /nfs/dbraw/zinc/27/62/18/1049276218.db2.gz CHOMKCOLHLCABM-HOTGVXAUSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@H+]1CCC[C@H](C)CC1 ZINC001307439905 1049276229 /nfs/dbraw/zinc/27/62/29/1049276229.db2.gz CHOMKCOLHLCABM-HOTGVXAUSA-N 1 2 390.483 3.911 20 10 GHCDLO COCCCOc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001308400054 1049967274 /nfs/dbraw/zinc/96/72/74/1049967274.db2.gz VGHXYRXYODIEQV-UHFFFAOYSA-N 1 2 398.272 3.999 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001308615929 1050033750 /nfs/dbraw/zinc/03/37/50/1050033750.db2.gz NZRXZLDAJGSBAW-CYBMUJFWSA-N 1 2 399.329 3.904 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001308615929 1050033752 /nfs/dbraw/zinc/03/37/52/1050033752.db2.gz NZRXZLDAJGSBAW-CYBMUJFWSA-N 1 2 399.329 3.904 20 10 GHCDLO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2c(O)cccc2Br)cc1 ZINC001328920501 1050675499 /nfs/dbraw/zinc/67/54/99/1050675499.db2.gz FTNSQYDTRXCWNS-QGZVFWFLSA-N 1 2 379.298 3.556 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]21 ZINC000757997386 1051787653 /nfs/dbraw/zinc/78/76/53/1051787653.db2.gz IYBUGQFAPMJADF-HZUKXOBISA-N 1 2 384.879 3.920 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]21 ZINC000757997386 1051787667 /nfs/dbraw/zinc/78/76/67/1051787667.db2.gz IYBUGQFAPMJADF-HZUKXOBISA-N 1 2 384.879 3.920 20 10 GHCDLO Cc1cc(C(=O)CSC[C@@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc2c(c1)CCC2 ZINC001459157331 1064009789 /nfs/dbraw/zinc/00/97/89/1064009789.db2.gz MHBVNPJMJISDLE-NRFANRHFSA-N 1 2 398.572 3.829 20 10 GHCDLO Cc1cc(C(=O)CSC[C@@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc2c(c1)CCC2 ZINC001459157331 1064009791 /nfs/dbraw/zinc/00/97/91/1064009791.db2.gz MHBVNPJMJISDLE-NRFANRHFSA-N 1 2 398.572 3.829 20 10 GHCDLO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001474379002 1074374818 /nfs/dbraw/zinc/37/48/18/1074374818.db2.gz BXGZOXPOWFCPCG-OAHLLOKOSA-N 1 2 398.894 3.974 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826510918 608590465 /nfs/dbraw/zinc/59/04/65/608590465.db2.gz RINOFRBPGBPFSB-UHFFFAOYSA-N 1 2 385.830 3.654 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826510918 608590467 /nfs/dbraw/zinc/59/04/67/608590467.db2.gz RINOFRBPGBPFSB-UHFFFAOYSA-N 1 2 385.830 3.654 20 10 GHCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC000052466940 834761190 /nfs/dbraw/zinc/76/11/90/834761190.db2.gz QTMQNGOLJVRFCW-HNNXBMFYSA-N 1 2 389.446 3.513 20 10 GHCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC000052466940 834761192 /nfs/dbraw/zinc/76/11/92/834761192.db2.gz QTMQNGOLJVRFCW-HNNXBMFYSA-N 1 2 389.446 3.513 20 10 GHCDLO COc1cc(O)c(CNc2cccc3c2CN(c2cccc[nH+]2)C3)cc1OC ZINC000378450187 839146071 /nfs/dbraw/zinc/14/60/71/839146071.db2.gz BLTVYXYNPTVRIE-UHFFFAOYSA-N 1 2 377.444 3.937 20 10 GHCDLO CCOc1ccc(F)c(F)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001143494031 839398125 /nfs/dbraw/zinc/39/81/25/839398125.db2.gz RXVJTGBMUSMWMH-UHFFFAOYSA-N 1 2 376.447 3.832 20 10 GHCDLO CCOc1ccc(F)c(F)c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001143494031 839398139 /nfs/dbraw/zinc/39/81/39/839398139.db2.gz RXVJTGBMUSMWMH-UHFFFAOYSA-N 1 2 376.447 3.832 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000894076432 844477893 /nfs/dbraw/zinc/47/78/93/844477893.db2.gz MXDZDLOXHDYCCU-AWEZNQCLSA-N 1 2 390.705 3.578 20 10 GHCDLO O=C(NCCCNc1cccc[nH+]1)N(Cc1ccco1)Cc1ccccc1O ZINC000171011774 861219681 /nfs/dbraw/zinc/21/96/81/861219681.db2.gz NIVFNUNUJLFYLM-UHFFFAOYSA-N 1 2 380.448 3.594 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2C)cc1 ZINC000728541465 849008822 /nfs/dbraw/zinc/00/88/22/849008822.db2.gz HACDKVUTEVQZBA-LJQANCHMSA-N 1 2 378.476 3.777 20 10 GHCDLO CC[N@H+](Cc1cc(Br)cc(Br)c1O)C[C@H](C)OC ZINC000812809298 891002435 /nfs/dbraw/zinc/00/24/35/891002435.db2.gz UUEHZVGUFOXTPE-VIFPVBQESA-N 1 2 381.108 3.774 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000732211119 862137705 /nfs/dbraw/zinc/13/77/05/862137705.db2.gz JXIOXSSBJKMWRJ-HXUWFJFHSA-N 1 2 397.494 3.503 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000732211119 862137710 /nfs/dbraw/zinc/13/77/10/862137710.db2.gz JXIOXSSBJKMWRJ-HXUWFJFHSA-N 1 2 397.494 3.503 20 10 GHCDLO Cc1cn2cc(NC(=O)C(=O)N(c3ccc(N)cc3)C3CCCCC3)ccc2[nH+]1 ZINC000784058300 853647619 /nfs/dbraw/zinc/64/76/19/853647619.db2.gz OWSJLAGVFPYUQD-UHFFFAOYSA-N 1 2 391.475 3.529 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]Cc1nc2c(s1)COCC2 ZINC000922961122 858899906 /nfs/dbraw/zinc/89/99/06/858899906.db2.gz YEMFHBXUHNHBSJ-UHFFFAOYSA-N 1 2 389.702 3.627 20 10 GHCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000764442047 859450068 /nfs/dbraw/zinc/45/00/68/859450068.db2.gz OGKRCZXDGDAXCV-UHFFFAOYSA-N 1 2 376.504 3.589 20 10 GHCDLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765421451 859962798 /nfs/dbraw/zinc/96/27/98/859962798.db2.gz SHYCJGXGYZNLAX-INIZCTEOSA-N 1 2 380.471 3.643 20 10 GHCDLO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(Br)cc(F)c3O)C2)n1 ZINC000922863125 860688264 /nfs/dbraw/zinc/68/82/64/860688264.db2.gz YVFAKUSWWAVDHV-CABZTGNLSA-N 1 2 384.249 3.665 20 10 GHCDLO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](C[NH2+]Cc1cccc(Cl)c1O)O2 ZINC000896907000 863633769 /nfs/dbraw/zinc/63/37/69/863633769.db2.gz PFTAYQOZJNDTLL-RDYUPDBUSA-N 1 2 381.900 3.805 20 10 GHCDLO Cc1ccc2[nH+]c(CSCC(=O)NCCCSc3nccs3)cn2c1 ZINC000114690930 881863256 /nfs/dbraw/zinc/86/32/56/881863256.db2.gz YEQSNCDDLXWDQS-UHFFFAOYSA-N 1 2 392.575 3.631 20 10 GHCDLO CC(C)C[C@@]1(C)CC(=O)N(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000740852997 866039648 /nfs/dbraw/zinc/03/96/48/866039648.db2.gz JCOOKDRBTPLTFY-QHCPKHFHSA-N 1 2 385.552 3.878 20 10 GHCDLO CC(C)C[C@@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000740852997 866039664 /nfs/dbraw/zinc/03/96/64/866039664.db2.gz JCOOKDRBTPLTFY-QHCPKHFHSA-N 1 2 385.552 3.878 20 10 GHCDLO CS(=O)(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2O)cc(C(F)(F)F)c1 ZINC000793605343 882309799 /nfs/dbraw/zinc/30/97/99/882309799.db2.gz GMWYGQSZRNWIPT-UHFFFAOYSA-N 1 2 393.814 3.758 20 10 GHCDLO C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1cc(F)cc(F)c1O ZINC000775576537 870890649 /nfs/dbraw/zinc/89/06/49/870890649.db2.gz AAFFQTWNQGBMEW-JTQLQIEISA-N 1 2 376.325 3.900 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168862561 870914665 /nfs/dbraw/zinc/91/46/65/870914665.db2.gz FSFDQNXSANORSG-HZPDHXFCSA-N 1 2 399.535 3.943 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168862561 870914677 /nfs/dbraw/zinc/91/46/77/870914677.db2.gz FSFDQNXSANORSG-HZPDHXFCSA-N 1 2 399.535 3.943 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)C[C@H]1CCCCO1 ZINC000775661435 872464432 /nfs/dbraw/zinc/46/44/32/872464432.db2.gz NQSGIAJSZRSIDF-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)C[C@H]1CCCCO1 ZINC000775661435 872464440 /nfs/dbraw/zinc/46/44/40/872464440.db2.gz NQSGIAJSZRSIDF-GFCCVEGCSA-N 1 2 393.119 3.918 20 10 GHCDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000768133511 873106566 /nfs/dbraw/zinc/10/65/66/873106566.db2.gz UQYTVKHTOTTYDA-KRWDZBQOSA-N 1 2 380.467 3.987 20 10 GHCDLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)n1-c1ccccc1Br ZINC000857982090 882692151 /nfs/dbraw/zinc/69/21/51/882692151.db2.gz MQOFNVLLLXVSND-MRXNPFEDSA-N 1 2 399.292 3.928 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O ZINC000177026861 882728340 /nfs/dbraw/zinc/72/83/40/882728340.db2.gz HICCPQVBHHWSGK-CQSZACIVSA-N 1 2 392.927 3.719 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(Br)cc(F)c1O ZINC000528001535 873870454 /nfs/dbraw/zinc/87/04/54/873870454.db2.gz JZYIRQHSBJXESF-QLJPJBMISA-N 1 2 393.256 3.771 20 10 GHCDLO O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769313508 873959274 /nfs/dbraw/zinc/95/92/74/873959274.db2.gz OTXSZNLRBXEFNQ-UHFFFAOYSA-N 1 2 399.485 3.913 20 10 GHCDLO CC[N@H+](Cc1nncn1-c1ccccc1)Cc1cc(Br)ccc1O ZINC000769730230 874230264 /nfs/dbraw/zinc/23/02/64/874230264.db2.gz SAXAKSDTQYHVKM-UHFFFAOYSA-N 1 2 387.281 3.758 20 10 GHCDLO CC[N@@H+](Cc1nncn1-c1ccccc1)Cc1cc(Br)ccc1O ZINC000769730230 874230274 /nfs/dbraw/zinc/23/02/74/874230274.db2.gz SAXAKSDTQYHVKM-UHFFFAOYSA-N 1 2 387.281 3.758 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000776008479 875118346 /nfs/dbraw/zinc/11/83/46/875118346.db2.gz SVIPTIGQAMAFQI-UHFFFAOYSA-N 1 2 378.753 3.853 20 10 GHCDLO CN1C(=O)C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000776252382 876031804 /nfs/dbraw/zinc/03/18/04/876031804.db2.gz SQSSNCXJZWUJDR-DOTOQJQBSA-N 1 2 383.250 3.900 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000858320719 883021792 /nfs/dbraw/zinc/02/17/92/883021792.db2.gz GZJRFYGAVKLALM-HKUYNNGSSA-N 1 2 391.874 3.738 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000858320719 883021806 /nfs/dbraw/zinc/02/18/06/883021806.db2.gz GZJRFYGAVKLALM-HKUYNNGSSA-N 1 2 391.874 3.738 20 10 GHCDLO COc1ccnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1F ZINC000850537604 877006940 /nfs/dbraw/zinc/00/69/40/877006940.db2.gz SGXDQBHZGJINKU-ZDUSSCGKSA-N 1 2 379.863 3.570 20 10 GHCDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787334342 877323858 /nfs/dbraw/zinc/32/38/58/877323858.db2.gz INCOETXVGXFVKZ-JJXUHFIVSA-N 1 2 391.475 3.626 20 10 GHCDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787334342 877323876 /nfs/dbraw/zinc/32/38/76/877323876.db2.gz INCOETXVGXFVKZ-JJXUHFIVSA-N 1 2 391.475 3.626 20 10 GHCDLO CO[C@@]1(CO)CCC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000852410350 878303864 /nfs/dbraw/zinc/30/38/64/878303864.db2.gz BHQKWNNAZJAGCV-NRFANRHFSA-N 1 2 382.464 3.514 20 10 GHCDLO CO[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000852410350 878303879 /nfs/dbraw/zinc/30/38/79/878303879.db2.gz BHQKWNNAZJAGCV-NRFANRHFSA-N 1 2 382.464 3.514 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@H]1CCCO1 ZINC000111233065 878958776 /nfs/dbraw/zinc/95/87/76/878958776.db2.gz HZJZLWPFXZIAQG-OAQYLSRUSA-N 1 2 377.488 3.818 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1nccn1Cc1ccccc1)C[C@H]1CCCO1 ZINC000111233065 878958794 /nfs/dbraw/zinc/95/87/94/878958794.db2.gz HZJZLWPFXZIAQG-OAQYLSRUSA-N 1 2 377.488 3.818 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCSC1 ZINC000790925792 880067383 /nfs/dbraw/zinc/06/73/83/880067383.db2.gz FGSYZKZPLOHMPJ-MRVPVSSYSA-N 1 2 381.133 3.760 20 10 GHCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccccc2)ccc1=O ZINC000919941879 881218806 /nfs/dbraw/zinc/21/88/06/881218806.db2.gz YBQFNCWDBZYWJT-UHFFFAOYSA-N 1 2 376.504 3.844 20 10 GHCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccccc2)ccc1=O ZINC000919941879 881218817 /nfs/dbraw/zinc/21/88/17/881218817.db2.gz YBQFNCWDBZYWJT-UHFFFAOYSA-N 1 2 376.504 3.844 20 10 GHCDLO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1cccc(Cl)c1O ZINC000806155936 884412878 /nfs/dbraw/zinc/41/28/78/884412878.db2.gz WHAXKRTYEMEGCZ-KRWDZBQOSA-N 1 2 388.961 3.537 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1C ZINC000860421407 884662514 /nfs/dbraw/zinc/66/25/14/884662514.db2.gz USLJTUPJCKSKRW-IBGZPJMESA-N 1 2 390.487 3.578 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000860468105 884705004 /nfs/dbraw/zinc/70/50/04/884705004.db2.gz QAFMADYMHWYWOH-CALCHBBNSA-N 1 2 383.492 3.632 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000860468105 884705022 /nfs/dbraw/zinc/70/50/22/884705022.db2.gz QAFMADYMHWYWOH-CALCHBBNSA-N 1 2 383.492 3.632 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000861352010 885422086 /nfs/dbraw/zinc/42/20/86/885422086.db2.gz WZTSNXYHYDOSKZ-GOSISDBHSA-N 1 2 390.487 3.660 20 10 GHCDLO Cc1cc(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(C)n1-c1ccc(Cl)cc1 ZINC000747400717 885506488 /nfs/dbraw/zinc/50/64/88/885506488.db2.gz LKANWOCEXJRGCZ-OAHLLOKOSA-N 1 2 384.911 3.939 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC001168200124 885555165 /nfs/dbraw/zinc/55/51/65/885555165.db2.gz FUOYUDLUYRPOFF-OAGGEKHMSA-N 1 2 390.483 3.767 20 10 GHCDLO C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC001168200124 885555178 /nfs/dbraw/zinc/55/51/78/885555178.db2.gz FUOYUDLUYRPOFF-OAGGEKHMSA-N 1 2 390.483 3.767 20 10 GHCDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(Br)c1O ZINC000809771069 887761589 /nfs/dbraw/zinc/76/15/89/887761589.db2.gz CNBWPGRWYDWHGR-FZMZJTMJSA-N 1 2 385.302 3.642 20 10 GHCDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(Br)c1O ZINC000809771069 887761604 /nfs/dbraw/zinc/76/16/04/887761604.db2.gz CNBWPGRWYDWHGR-FZMZJTMJSA-N 1 2 385.302 3.642 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(Cl)c1O ZINC000287527674 913390253 /nfs/dbraw/zinc/39/02/53/913390253.db2.gz DMADNGDRGXBVLP-GOSISDBHSA-N 1 2 376.884 3.754 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cccc(Cl)c1O ZINC000287613437 913445872 /nfs/dbraw/zinc/44/58/72/913445872.db2.gz JJGVKNUKCCGIMU-LJQANCHMSA-N 1 2 388.895 3.759 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1O)C[C@H](C)OC ZINC000812809298 891002424 /nfs/dbraw/zinc/00/24/24/891002424.db2.gz UUEHZVGUFOXTPE-VIFPVBQESA-N 1 2 381.108 3.774 20 10 GHCDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876783659 893326871 /nfs/dbraw/zinc/32/68/71/893326871.db2.gz JLSJZXRAKQRCJO-UHFFFAOYSA-N 1 2 385.455 3.755 20 10 GHCDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876783659 893326890 /nfs/dbraw/zinc/32/68/90/893326890.db2.gz JLSJZXRAKQRCJO-UHFFFAOYSA-N 1 2 385.455 3.755 20 10 GHCDLO CC(=O)c1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cs1 ZINC000815834854 894247710 /nfs/dbraw/zinc/24/77/10/894247710.db2.gz CJWXVSPNXQVFCM-MRXNPFEDSA-N 1 2 392.908 3.704 20 10 GHCDLO CC(=O)c1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cs1 ZINC000815834854 894247724 /nfs/dbraw/zinc/24/77/24/894247724.db2.gz CJWXVSPNXQVFCM-MRXNPFEDSA-N 1 2 392.908 3.704 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000748049536 894565117 /nfs/dbraw/zinc/56/51/17/894565117.db2.gz GZIDKVPRBRAPBM-GOSISDBHSA-N 1 2 390.842 3.625 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000748049536 894565128 /nfs/dbraw/zinc/56/51/28/894565128.db2.gz GZIDKVPRBRAPBM-GOSISDBHSA-N 1 2 390.842 3.625 20 10 GHCDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484616 894854348 /nfs/dbraw/zinc/85/43/48/894854348.db2.gz JJHCZVSHQVXBME-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484616 894854358 /nfs/dbraw/zinc/85/43/58/894854358.db2.gz JJHCZVSHQVXBME-UHFFFAOYSA-N 1 2 380.822 3.672 20 10 GHCDLO Oc1cc(F)c(Cl)cc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000816509606 894888070 /nfs/dbraw/zinc/88/80/70/894888070.db2.gz WLPAFTBCOAGHSW-UHFFFAOYSA-N 1 2 378.860 3.512 20 10 GHCDLO CCN1CC[NH+](Cc2ccc(NCc3cc(Cl)c(F)cc3O)cc2)CC1 ZINC000816523008 894920694 /nfs/dbraw/zinc/92/06/94/894920694.db2.gz YRUWNQYSHSXSPN-UHFFFAOYSA-N 1 2 377.891 3.934 20 10 GHCDLO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816608737 894971747 /nfs/dbraw/zinc/97/17/47/894971747.db2.gz ILINOMUSVVQWNT-UHFFFAOYSA-N 1 2 386.254 3.561 20 10 GHCDLO COc1c(O)c(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774906623 913992148 /nfs/dbraw/zinc/99/21/48/913992148.db2.gz CJCBKTGVIPVNJZ-DNVCBOLYSA-N 1 2 386.448 3.888 20 10 GHCDLO COc1c(O)c(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774906623 913992152 /nfs/dbraw/zinc/99/21/52/913992152.db2.gz CJCBKTGVIPVNJZ-DNVCBOLYSA-N 1 2 386.448 3.888 20 10 GHCDLO CC1(c2cccc(C[NH2+]Cc3cc(Br)cc(F)c3O)c2)OCCO1 ZINC000883128536 897304194 /nfs/dbraw/zinc/30/41/94/897304194.db2.gz LLOJTBMXKIJKBB-UHFFFAOYSA-N 1 2 396.256 3.803 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCC(n4cc[nH+]c4)CC3)c2C)cc1 ZINC000101864205 897975694 /nfs/dbraw/zinc/97/56/94/897975694.db2.gz VYTLTGKARJQGGH-UHFFFAOYSA-N 1 2 378.476 3.777 20 10 GHCDLO Oc1ccccc1C[N@@H+](Cc1nc(Cc2ccccc2)no1)C[C@H]1CCCO1 ZINC000109761625 898586644 /nfs/dbraw/zinc/58/66/44/898586644.db2.gz CFWDRKGNBHCNBN-LJQANCHMSA-N 1 2 379.460 3.547 20 10 GHCDLO Oc1ccccc1C[N@H+](Cc1nc(Cc2ccccc2)no1)C[C@H]1CCCO1 ZINC000109761625 898586659 /nfs/dbraw/zinc/58/66/59/898586659.db2.gz CFWDRKGNBHCNBN-LJQANCHMSA-N 1 2 379.460 3.547 20 10 GHCDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000043862442 898994088 /nfs/dbraw/zinc/99/40/88/898994088.db2.gz JYSDSUPFRFJUOT-QZTJIDSGSA-N 1 2 396.535 3.684 20 10 GHCDLO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307911 901698137 /nfs/dbraw/zinc/69/81/37/901698137.db2.gz LNOKGZMOPFBNQZ-CYBMUJFWSA-N 1 2 378.241 3.999 20 10 GHCDLO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144307911 901698142 /nfs/dbraw/zinc/69/81/42/901698142.db2.gz LNOKGZMOPFBNQZ-CYBMUJFWSA-N 1 2 378.241 3.999 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)cc(F)c1O ZINC000846216913 902792758 /nfs/dbraw/zinc/79/27/58/902792758.db2.gz XPLKFMAWCNJBEK-ZUZCIYMTSA-N 1 2 395.272 3.721 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000264514782 903162036 /nfs/dbraw/zinc/16/20/36/903162036.db2.gz GKIPBWCHOIPIJL-IBGZPJMESA-N 1 2 381.524 3.735 20 10 GHCDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001148680345 904151764 /nfs/dbraw/zinc/15/17/64/904151764.db2.gz OBAVCMOZDSXYCV-OAHLLOKOSA-N 1 2 393.468 3.760 20 10 GHCDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(C)cc2O)n1 ZINC000189923284 905386618 /nfs/dbraw/zinc/38/66/18/905386618.db2.gz CQZGQAPJBCSHEU-HNNXBMFYSA-N 1 2 376.478 3.680 20 10 GHCDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(C)cc2O)n1 ZINC000189923284 905386636 /nfs/dbraw/zinc/38/66/36/905386636.db2.gz CQZGQAPJBCSHEU-HNNXBMFYSA-N 1 2 376.478 3.680 20 10 GHCDLO COc1ccc(N(c2ccc(N)cc2)c2ccc(C[NH+]3CC(O)C3)cc2)cc1 ZINC001212670160 905636280 /nfs/dbraw/zinc/63/62/80/905636280.db2.gz JNUVFBKYFJJPEF-UHFFFAOYSA-N 1 2 375.472 3.924 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001175196143 907408590 /nfs/dbraw/zinc/40/85/90/907408590.db2.gz WLKSVVDPPSCCKI-ABAIWWIYSA-N 1 2 382.888 3.736 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC001175196143 907408593 /nfs/dbraw/zinc/40/85/93/907408593.db2.gz WLKSVVDPPSCCKI-ABAIWWIYSA-N 1 2 382.888 3.736 20 10 GHCDLO Oc1ccc(Br)c(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000775153028 915628705 /nfs/dbraw/zinc/62/87/05/915628705.db2.gz QSQTXFQFKWTINS-UHFFFAOYSA-N 1 2 387.071 3.913 20 10 GHCDLO C[C@@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccc(N2CCOCC2)cc1 ZINC000775261103 916674749 /nfs/dbraw/zinc/67/47/49/916674749.db2.gz SOZUNQUPAGAHSZ-GOSISDBHSA-N 1 2 392.503 3.542 20 10 GHCDLO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001190590337 917433403 /nfs/dbraw/zinc/43/34/03/917433403.db2.gz YNMUWQWTHTYTOT-WBVHZDCISA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001190590337 917433409 /nfs/dbraw/zinc/43/34/09/917433409.db2.gz YNMUWQWTHTYTOT-WBVHZDCISA-N 1 2 390.483 3.911 20 10 GHCDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000296962850 918947314 /nfs/dbraw/zinc/94/73/14/918947314.db2.gz ULKJKTYTSJMOGY-UHFFFAOYSA-N 1 2 392.590 3.784 20 10 GHCDLO Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1O ZINC000800540598 920258861 /nfs/dbraw/zinc/25/88/61/920258861.db2.gz KQDCLWMKWIRHDF-IBGZPJMESA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)c1O ZINC000800540598 920258870 /nfs/dbraw/zinc/25/88/70/920258870.db2.gz KQDCLWMKWIRHDF-IBGZPJMESA-N 1 2 383.492 3.890 20 10 GHCDLO COc1cc(C[N@H+](C)CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)ccc1O ZINC000827690983 925924614 /nfs/dbraw/zinc/92/46/14/925924614.db2.gz RDEABUPZVQOKDH-UHFFFAOYSA-N 1 2 397.450 3.657 20 10 GHCDLO COc1cc(C[N@@H+](C)CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)ccc1O ZINC000827690983 925924624 /nfs/dbraw/zinc/92/46/24/925924624.db2.gz RDEABUPZVQOKDH-UHFFFAOYSA-N 1 2 397.450 3.657 20 10 GHCDLO COc1ccc(N2C(=O)/C(=C/c3ccc(-n4cc[nH+]c4)cc3)SC2=S)cn1 ZINC000726985884 926972977 /nfs/dbraw/zinc/97/29/77/926972977.db2.gz GMUNTQJSXSAVQT-YBEGLDIGSA-N 1 2 394.481 3.682 20 10 GHCDLO CCCCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750043399 927402722 /nfs/dbraw/zinc/40/27/22/927402722.db2.gz AMKDTFJAFZFUOL-UHFFFAOYSA-N 1 2 380.916 3.909 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)CCc2nccs2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000753266308 929278705 /nfs/dbraw/zinc/27/87/05/929278705.db2.gz KWWQQOKJJURNAF-UHFFFAOYSA-N 1 2 397.500 3.637 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)CCc2nccs2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000753266308 929278717 /nfs/dbraw/zinc/27/87/17/929278717.db2.gz KWWQQOKJJURNAF-UHFFFAOYSA-N 1 2 397.500 3.637 20 10 GHCDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753548903 929407461 /nfs/dbraw/zinc/40/74/61/929407461.db2.gz PLYPTSSJOFIGJR-NRFANRHFSA-N 1 2 393.487 3.885 20 10 GHCDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753548903 929407466 /nfs/dbraw/zinc/40/74/66/929407466.db2.gz PLYPTSSJOFIGJR-NRFANRHFSA-N 1 2 393.487 3.885 20 10 GHCDLO C[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)c(F)c1 ZINC000753764163 929523747 /nfs/dbraw/zinc/52/37/47/929523747.db2.gz RUYMKVROJLWVNO-YVEFUNNKSA-N 1 2 378.394 3.725 20 10 GHCDLO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(Br)cc(F)c1O ZINC000799731476 933101225 /nfs/dbraw/zinc/10/12/25/933101225.db2.gz OBOCNFKKTNKBAT-WFASDCNBSA-N 1 2 382.273 3.938 20 10 GHCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000799886409 933151840 /nfs/dbraw/zinc/15/18/40/933151840.db2.gz PJVPXWBFWRSEDQ-CVEARBPZSA-N 1 2 389.931 3.661 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)CCc2nccs2)c(C)n1-c1ccc(Cl)cn1 ZINC000828480671 935641745 /nfs/dbraw/zinc/64/17/45/935641745.db2.gz UMWLKZQUBXYYRS-UHFFFAOYSA-N 1 2 388.924 3.956 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)CCc2nccs2)c(C)n1-c1ccc(Cl)cn1 ZINC000828480671 935641747 /nfs/dbraw/zinc/64/17/47/935641747.db2.gz UMWLKZQUBXYYRS-UHFFFAOYSA-N 1 2 388.924 3.956 20 10 GHCDLO CCC1([NH2+]Cc2cc(Br)cc(Br)c2O)CCOCC1 ZINC000777506296 1016977923 /nfs/dbraw/zinc/97/79/23/1016977923.db2.gz XFHODIPEMQEUCB-UHFFFAOYSA-N 1 2 393.119 3.966 20 10 GHCDLO CC1(C)CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)O1 ZINC000779214839 1020527263 /nfs/dbraw/zinc/52/72/63/1020527263.db2.gz GZCQMSURERWCIR-LLVKDONJSA-N 1 2 393.119 3.964 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(Br)cc(F)c1O ZINC000834826577 1021520827 /nfs/dbraw/zinc/52/08/27/1021520827.db2.gz FBZPZCGHFVRGIC-QMTHXVAHSA-N 1 2 386.236 3.687 20 10 GHCDLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(Br)cc1O ZINC000834884810 1021610646 /nfs/dbraw/zinc/61/06/46/1021610646.db2.gz PWHDSLZSYNKSRX-QMMMGPOBSA-N 1 2 389.091 3.502 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Br)cc(F)c1O ZINC000834896778 1021639586 /nfs/dbraw/zinc/63/95/86/1021639586.db2.gz CRVWGNUTJKYREX-KNHMANMVSA-N 1 2 398.276 3.598 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580949 1022000664 /nfs/dbraw/zinc/00/06/64/1022000664.db2.gz NBTATCMHKLQRDZ-LJQANCHMSA-N 1 2 378.444 3.751 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580949 1022000678 /nfs/dbraw/zinc/00/06/78/1022000678.db2.gz NBTATCMHKLQRDZ-LJQANCHMSA-N 1 2 378.444 3.751 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)Cc2c1cnn2CC ZINC001140922512 1022892184 /nfs/dbraw/zinc/89/21/84/1022892184.db2.gz SFMQSYJHARNAAL-INIZCTEOSA-N 1 2 376.932 3.758 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)Cc2c1cnn2CC ZINC001140922512 1022892206 /nfs/dbraw/zinc/89/22/06/1022892206.db2.gz SFMQSYJHARNAAL-INIZCTEOSA-N 1 2 376.932 3.758 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(c3cc(C(F)(F)F)ncn3)CC2)c(Cl)c1 ZINC001140925143 1022901930 /nfs/dbraw/zinc/90/19/30/1022901930.db2.gz OPVORTQBGUJVGW-UHFFFAOYSA-N 1 2 399.848 3.537 20 10 GHCDLO C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)N1CCN(c2ccccc2)CC1 ZINC000756412625 1023634686 /nfs/dbraw/zinc/63/46/86/1023634686.db2.gz VEMZJVMFUUKNQQ-HZPDHXFCSA-N 1 2 375.463 3.532 20 10 GHCDLO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Br)cc(F)c1O ZINC000756503763 1023687400 /nfs/dbraw/zinc/68/74/00/1023687400.db2.gz PJVUYBIXWPUJCN-VIFPVBQESA-N 1 2 381.236 3.674 20 10 GHCDLO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3cc(F)cc(F)c3O)C2)c1 ZINC000756639059 1023748421 /nfs/dbraw/zinc/74/84/21/1023748421.db2.gz VZEASUMSBRZPJV-OCCSQVGLSA-N 1 2 378.419 3.617 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Br)cc(F)c1O ZINC000756660445 1023759718 /nfs/dbraw/zinc/75/97/18/1023759718.db2.gz XIWSPWLIIYGZMV-SMDDNHRTSA-N 1 2 399.304 3.736 20 10 GHCDLO COc1ccc([C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)N(C)C)cc1OC ZINC000756664725 1023763767 /nfs/dbraw/zinc/76/37/67/1023763767.db2.gz PGYMNUBEPNTCBD-SJCJKPOMSA-N 1 2 380.435 3.641 20 10 GHCDLO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)cc(Cl)c1O ZINC000756707337 1023782367 /nfs/dbraw/zinc/78/23/67/1023782367.db2.gz VDHGBQXXXWTCRX-SECBINFHSA-N 1 2 375.694 3.518 20 10 GHCDLO CCOC(=O)COc1ccc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756734611 1023793011 /nfs/dbraw/zinc/79/30/11/1023793011.db2.gz XLCQZFBYGMBDIT-CYBMUJFWSA-N 1 2 379.403 3.506 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc(F)c1O ZINC000756764609 1023805339 /nfs/dbraw/zinc/80/53/39/1023805339.db2.gz JPDFVCJIDNNEQF-WCQYABFASA-N 1 2 388.277 3.673 20 10 GHCDLO C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(Br)cc(F)c1O ZINC000756769001 1023807967 /nfs/dbraw/zinc/80/79/67/1023807967.db2.gz HEEPZRHCSVLWSL-JTQLQIEISA-N 1 2 380.261 3.855 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(Br)c(F)cc1O ZINC000756768938 1023808138 /nfs/dbraw/zinc/80/81/38/1023808138.db2.gz BGYVEWKUSMRFSI-RYUDHWBXSA-N 1 2 380.261 3.618 20 10 GHCDLO C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(F)c1O ZINC000756775305 1023810162 /nfs/dbraw/zinc/81/01/62/1023810162.db2.gz OTXNBYDOTXNBBF-YGRLFVJLSA-N 1 2 386.236 3.687 20 10 GHCDLO O=S(=O)(c1ccccc1)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219621 1024392181 /nfs/dbraw/zinc/39/21/81/1024392181.db2.gz KEUFEMPEYGWJDL-QFIPXVFZSA-N 1 2 384.545 3.725 20 10 GHCDLO O=S(=O)(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219621 1024392204 /nfs/dbraw/zinc/39/22/04/1024392204.db2.gz KEUFEMPEYGWJDL-QFIPXVFZSA-N 1 2 384.545 3.725 20 10 GHCDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)[C@@H]1C ZINC001141373098 1024760987 /nfs/dbraw/zinc/76/09/87/1024760987.db2.gz NDARBNMBOOFRKZ-MFKMUULPSA-N 1 2 390.705 3.972 20 10 GHCDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)[C@@H]1C ZINC001141373098 1024761003 /nfs/dbraw/zinc/76/10/03/1024761003.db2.gz NDARBNMBOOFRKZ-MFKMUULPSA-N 1 2 390.705 3.972 20 10 GHCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000831707263 1024767256 /nfs/dbraw/zinc/76/72/56/1024767256.db2.gz YZWIOWPCHRFDRW-FXAWDEMLSA-N 1 2 375.472 3.941 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(Cl)cc(OC)c3OC)CC2)cc1 ZINC001138744360 1025284754 /nfs/dbraw/zinc/28/47/54/1025284754.db2.gz SAUGDBUVOMUZGM-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO Oc1c(Cl)cc(Cl)cc1CN1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001203579223 1027447178 /nfs/dbraw/zinc/44/71/78/1027447178.db2.gz OSGLKDSWMXTNEK-UHFFFAOYSA-N 1 2 395.334 3.897 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)Cc2cn(CC)nc21 ZINC001203643276 1027501635 /nfs/dbraw/zinc/50/16/35/1027501635.db2.gz NHTDKTWHXRPSCJ-OAHLLOKOSA-N 1 2 394.313 3.507 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)Cc2cn(CC)nc21 ZINC001203643276 1027501643 /nfs/dbraw/zinc/50/16/43/1027501643.db2.gz NHTDKTWHXRPSCJ-OAHLLOKOSA-N 1 2 394.313 3.507 20 10 GHCDLO Oc1ccc(Br)cc1CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001203648013 1027504966 /nfs/dbraw/zinc/50/49/66/1027504966.db2.gz BLWKZTLSQSHZIO-INIZCTEOSA-N 1 2 389.284 3.850 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)Cc2ncn(CC3CC3)c21 ZINC001203655952 1027508808 /nfs/dbraw/zinc/50/88/08/1027508808.db2.gz GFHFDFNUYHSESB-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2ncn(CC3CC3)c21 ZINC001203655952 1027508817 /nfs/dbraw/zinc/50/88/17/1027508817.db2.gz GFHFDFNUYHSESB-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2c3ccccc3C[N@H+](Cc3ccc(O)c(O)c3)[C@H]2C1 ZINC001203875169 1027675607 /nfs/dbraw/zinc/67/56/07/1027675607.db2.gz JKVHCCNNEYPXIN-OALUTQOASA-N 1 2 396.487 3.817 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2c3ccccc3C[N@@H+](Cc3ccc(O)c(O)c3)[C@H]2C1 ZINC001203875169 1027675616 /nfs/dbraw/zinc/67/56/16/1027675616.db2.gz JKVHCCNNEYPXIN-OALUTQOASA-N 1 2 396.487 3.817 20 10 GHCDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CS1 ZINC000840957461 1027986818 /nfs/dbraw/zinc/98/68/18/1027986818.db2.gz BTBHSTQGUVHABG-XCBNKYQSSA-N 1 2 381.133 3.901 20 10 GHCDLO Oc1cccc(Br)c1C[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC001461348050 1069512639 /nfs/dbraw/zinc/51/26/39/1069512639.db2.gz WCBXAOZQNSBPHN-UHFFFAOYSA-N 1 2 376.279 3.963 20 10 GHCDLO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001461619034 1069644128 /nfs/dbraw/zinc/64/41/28/1069644128.db2.gz NEPMSJWAHLCACA-ZANVPECISA-N 1 2 395.135 3.804 20 10 GHCDLO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944395 1030875249 /nfs/dbraw/zinc/87/52/49/1030875249.db2.gz MPHMXQRGPWKIPK-KPZWWZAWSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)C1=O ZINC001276944395 1030875265 /nfs/dbraw/zinc/87/52/65/1030875265.db2.gz MPHMXQRGPWKIPK-KPZWWZAWSA-N 1 2 399.304 3.517 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001205486725 1033435824 /nfs/dbraw/zinc/43/58/24/1033435824.db2.gz SAZQWWNZBXCFDH-BETUJISGSA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001205486725 1033435835 /nfs/dbraw/zinc/43/58/35/1033435835.db2.gz SAZQWWNZBXCFDH-BETUJISGSA-N 1 2 384.904 3.884 20 10 GHCDLO COC(=O)c1c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c2cc(F)ccc2n1C ZINC001461892482 1069847184 /nfs/dbraw/zinc/84/71/84/1069847184.db2.gz SOTAYWXOZMECAY-UHFFFAOYSA-N 1 2 385.395 3.644 20 10 GHCDLO COC(=O)c1c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c2cc(F)ccc2n1C ZINC001461892482 1069847201 /nfs/dbraw/zinc/84/72/01/1069847201.db2.gz SOTAYWXOZMECAY-UHFFFAOYSA-N 1 2 385.395 3.644 20 10 GHCDLO O=C(NCc1cccc(Cl)c1O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001159033153 1034392659 /nfs/dbraw/zinc/39/26/59/1034392659.db2.gz CHOYUPRKLBAAGD-GOSISDBHSA-N 1 2 376.859 3.856 20 10 GHCDLO O=C(NCc1cccc(Cl)c1O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001159033153 1034392672 /nfs/dbraw/zinc/39/26/72/1034392672.db2.gz CHOYUPRKLBAAGD-GOSISDBHSA-N 1 2 376.859 3.856 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001231910427 1034983997 /nfs/dbraw/zinc/98/39/97/1034983997.db2.gz PIMUIFXAGPWKQJ-GHTZIAJQSA-N 1 2 388.895 3.781 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001231910427 1034984001 /nfs/dbraw/zinc/98/40/01/1034984001.db2.gz PIMUIFXAGPWKQJ-GHTZIAJQSA-N 1 2 388.895 3.781 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001231909990 1034984748 /nfs/dbraw/zinc/98/47/48/1034984748.db2.gz ISXSIOUJMCQGFK-GHTZIAJQSA-N 1 2 388.895 3.891 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001231909990 1034984752 /nfs/dbraw/zinc/98/47/52/1034984752.db2.gz ISXSIOUJMCQGFK-GHTZIAJQSA-N 1 2 388.895 3.891 20 10 GHCDLO COCCC[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231913206 1034987760 /nfs/dbraw/zinc/98/77/60/1034987760.db2.gz IBIGYJXIFYMDGF-MRXNPFEDSA-N 1 2 398.931 3.894 20 10 GHCDLO COCCC[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231913206 1034987762 /nfs/dbraw/zinc/98/77/62/1034987762.db2.gz IBIGYJXIFYMDGF-MRXNPFEDSA-N 1 2 398.931 3.894 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1I ZINC001248472211 1035900316 /nfs/dbraw/zinc/90/03/16/1035900316.db2.gz SBIFLKRDRATWEB-OAHLLOKOSA-N 1 2 395.240 3.952 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CC[C@@H]2c2ccccc2)cc1I ZINC001248472211 1035900321 /nfs/dbraw/zinc/90/03/21/1035900321.db2.gz SBIFLKRDRATWEB-OAHLLOKOSA-N 1 2 395.240 3.952 20 10 GHCDLO Oc1cc(O)c(C[NH+]2CCN(c3nsc4ccccc43)CC2)cc1Cl ZINC001232257303 1037980118 /nfs/dbraw/zinc/98/01/18/1037980118.db2.gz CBWKBELFAJNGND-UHFFFAOYSA-N 1 2 375.881 3.683 20 10 GHCDLO CCc1noc([C@@H]2CCC[N@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233030579 1038782274 /nfs/dbraw/zinc/78/22/74/1038782274.db2.gz ZBYZJNNCFMHBGH-SNVBAGLBSA-N 1 2 384.249 3.619 20 10 GHCDLO CCc1noc([C@@H]2CCC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233030579 1038782285 /nfs/dbraw/zinc/78/22/85/1038782285.db2.gz ZBYZJNNCFMHBGH-SNVBAGLBSA-N 1 2 384.249 3.619 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001233030894 1038782666 /nfs/dbraw/zinc/78/26/66/1038782666.db2.gz RDJGJHMSHHQGTO-UHFFFAOYSA-N 1 2 398.247 3.917 20 10 GHCDLO O=C(C1CC[NH+](Cc2c(O)cc(Br)cc2F)CC1)N1CCCCC1 ZINC001233031681 1038785532 /nfs/dbraw/zinc/78/55/32/1038785532.db2.gz LHDMAOCIBAVHKX-UHFFFAOYSA-N 1 2 399.304 3.518 20 10 GHCDLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1Cc1ccc(F)c(F)c1O ZINC001233077328 1038841398 /nfs/dbraw/zinc/84/13/98/1038841398.db2.gz JDIHNNJJYPLXES-VBQJREDUSA-N 1 2 380.479 3.966 20 10 GHCDLO Cc1cc(Br)cc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1O ZINC001233111460 1038902284 /nfs/dbraw/zinc/90/22/84/1038902284.db2.gz OREBADRKJYSHBI-OAHLLOKOSA-N 1 2 389.284 3.769 20 10 GHCDLO CCOC(=O)c1c(C[N@H+](C)Cc2cnc3ccccn23)c2ccccc2n1C ZINC001233270264 1039038928 /nfs/dbraw/zinc/03/89/28/1039038928.db2.gz HFSABIQLWHYWCM-UHFFFAOYSA-N 1 2 376.460 3.635 20 10 GHCDLO CCOC(=O)c1c(C[N@@H+](C)Cc2cnc3ccccn23)c2ccccc2n1C ZINC001233270264 1039038949 /nfs/dbraw/zinc/03/89/49/1039038949.db2.gz HFSABIQLWHYWCM-UHFFFAOYSA-N 1 2 376.460 3.635 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cn(CC)nc21 ZINC001233416934 1039276020 /nfs/dbraw/zinc/27/60/20/1039276020.db2.gz BZLGDLISSOTJOP-OAHLLOKOSA-N 1 2 383.414 3.763 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cn(CC)nc21 ZINC001233416934 1039276026 /nfs/dbraw/zinc/27/60/26/1039276026.db2.gz BZLGDLISSOTJOP-OAHLLOKOSA-N 1 2 383.414 3.763 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@]23CCN(CC=C(C)C)C3=O)c(O)c1Cl ZINC001277835823 1039900912 /nfs/dbraw/zinc/90/09/12/1039900912.db2.gz ZQUIBDCTGLIBPO-HXUWFJFHSA-N 1 2 378.900 3.587 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001278788088 1040252150 /nfs/dbraw/zinc/25/21/50/1040252150.db2.gz COFKAKJXXMTGKI-UHFFFAOYSA-N 1 2 385.733 3.868 20 10 GHCDLO COc1cc(C[N@H+](C)Cc2cc(Br)cc(F)c2O)cc(OC)c1 ZINC001235063766 1040552866 /nfs/dbraw/zinc/55/28/66/1040552866.db2.gz AEGDKLXHUBGALH-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO COc1cc(C[N@@H+](C)Cc2cc(Br)cc(F)c2O)cc(OC)c1 ZINC001235063766 1040552882 /nfs/dbraw/zinc/55/28/82/1040552882.db2.gz AEGDKLXHUBGALH-UHFFFAOYSA-N 1 2 384.245 3.943 20 10 GHCDLO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235302397 1040773830 /nfs/dbraw/zinc/77/38/30/1040773830.db2.gz PYDYMPCQTOWEGV-SFHVURJKSA-N 1 2 399.304 3.661 20 10 GHCDLO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235302397 1040773846 /nfs/dbraw/zinc/77/38/46/1040773846.db2.gz PYDYMPCQTOWEGV-SFHVURJKSA-N 1 2 399.304 3.661 20 10 GHCDLO CCOC(=O)C1(CC)CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235306303 1040778056 /nfs/dbraw/zinc/77/80/56/1040778056.db2.gz SUFADJKIPZIKHY-UHFFFAOYSA-N 1 2 388.277 3.849 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@H+](Cc3ccc(C(C)(C)C)cc3O)[C@@H]2C1 ZINC001235678159 1041137567 /nfs/dbraw/zinc/13/75/67/1041137567.db2.gz ADKLYFCKGNLKOL-IEBWSBKVSA-N 1 2 390.524 3.510 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccc(C(C)(C)C)cc3O)[C@@H]2C1 ZINC001235678159 1041137577 /nfs/dbraw/zinc/13/75/77/1041137577.db2.gz ADKLYFCKGNLKOL-IEBWSBKVSA-N 1 2 390.524 3.510 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)Cc2nnn(CC3CC3)c21 ZINC001235678457 1041138110 /nfs/dbraw/zinc/13/81/10/1041138110.db2.gz CKPYWTSAZMLLRD-SFHVURJKSA-N 1 2 398.551 3.827 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)Cc2nnn(CC3CC3)c21 ZINC001235678457 1041138131 /nfs/dbraw/zinc/13/81/31/1041138131.db2.gz CKPYWTSAZMLLRD-SFHVURJKSA-N 1 2 398.551 3.827 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001236670813 1041818711 /nfs/dbraw/zinc/81/87/11/1041818711.db2.gz QTBCYDKVJGTXAJ-HNNXBMFYSA-N 1 2 389.284 3.769 20 10 GHCDLO COc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(O)c1Cl ZINC001236809436 1041909573 /nfs/dbraw/zinc/90/95/73/1041909573.db2.gz MNOXAHZSTIMCHG-UHFFFAOYSA-N 1 2 380.916 3.715 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001237079534 1042025653 /nfs/dbraw/zinc/02/56/53/1042025653.db2.gz DDQBWTZRFHCZTJ-SCLBCKFNSA-N 1 2 397.302 3.625 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[N@@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001237079534 1042025658 /nfs/dbraw/zinc/02/56/58/1042025658.db2.gz DDQBWTZRFHCZTJ-SCLBCKFNSA-N 1 2 397.302 3.625 20 10 GHCDLO CN1CCN(c2ccc(C[N@@H+]3CCCC[C@H](F)C3)cc2Br)CC1 ZINC001237088551 1042030807 /nfs/dbraw/zinc/03/08/07/1042030807.db2.gz BGGRZJAIBVRTDR-INIZCTEOSA-N 1 2 384.337 3.525 20 10 GHCDLO CN1CCN(c2ccc(C[N@H+]3CCCC[C@H](F)C3)cc2Br)CC1 ZINC001237088551 1042030812 /nfs/dbraw/zinc/03/08/12/1042030812.db2.gz BGGRZJAIBVRTDR-INIZCTEOSA-N 1 2 384.337 3.525 20 10 GHCDLO NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC001237622214 1042288692 /nfs/dbraw/zinc/28/86/92/1042288692.db2.gz OVMQQNQGRJIHDC-QZTJIDSGSA-N 1 2 376.859 3.808 20 10 GHCDLO NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC001237622214 1042288697 /nfs/dbraw/zinc/28/86/97/1042288697.db2.gz OVMQQNQGRJIHDC-QZTJIDSGSA-N 1 2 376.859 3.808 20 10 GHCDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237624651 1042290643 /nfs/dbraw/zinc/29/06/43/1042290643.db2.gz XRIUKUQZPVSRQM-LJQANCHMSA-N 1 2 392.902 3.908 20 10 GHCDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237624651 1042290647 /nfs/dbraw/zinc/29/06/47/1042290647.db2.gz XRIUKUQZPVSRQM-LJQANCHMSA-N 1 2 392.902 3.908 20 10 GHCDLO Cc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1Br ZINC001237685071 1042326185 /nfs/dbraw/zinc/32/61/85/1042326185.db2.gz NEBLBXYPHQZNOC-INIZCTEOSA-N 1 2 389.284 3.769 20 10 GHCDLO Oc1c(I)cccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001237780952 1042365779 /nfs/dbraw/zinc/36/57/79/1042365779.db2.gz ZLCNTNFBEUNVFO-HNNXBMFYSA-N 1 2 380.229 3.729 20 10 GHCDLO C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)[C@@H]1CO ZINC001237784952 1042368210 /nfs/dbraw/zinc/36/82/10/1042368210.db2.gz ZPHRXMZICWUCQA-NOZJJQNGSA-N 1 2 382.220 3.766 20 10 GHCDLO C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)[C@@H]1CO ZINC001237784952 1042368215 /nfs/dbraw/zinc/36/82/15/1042368215.db2.gz ZPHRXMZICWUCQA-NOZJJQNGSA-N 1 2 382.220 3.766 20 10 GHCDLO CN(C(=O)c1ccccc1)C1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237800732 1042377625 /nfs/dbraw/zinc/37/76/25/1042377625.db2.gz BSHLXXJSFILXDN-UHFFFAOYSA-N 1 2 376.859 3.921 20 10 GHCDLO CN1C(=O)C2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)[C@@H]1c1ccccc1 ZINC001237815084 1042382922 /nfs/dbraw/zinc/38/29/22/1042382922.db2.gz VTQSVWQORROITO-IBGZPJMESA-N 1 2 388.870 3.980 20 10 GHCDLO CCn1ncc2c1C[N@H+](Cc1cc(F)c(Cl)cc1O)C[C@@H]2COCC1CC1 ZINC001237939101 1042429399 /nfs/dbraw/zinc/42/93/99/1042429399.db2.gz SUUDUURXYPWCBK-OAHLLOKOSA-N 1 2 393.890 3.927 20 10 GHCDLO CCn1ncc2c1C[N@@H+](Cc1cc(F)c(Cl)cc1O)C[C@@H]2COCC1CC1 ZINC001237939101 1042429404 /nfs/dbraw/zinc/42/94/04/1042429404.db2.gz SUUDUURXYPWCBK-OAHLLOKOSA-N 1 2 393.890 3.927 20 10 GHCDLO COc1ccccc1C(=O)NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237940735 1042431086 /nfs/dbraw/zinc/43/10/86/1042431086.db2.gz NFXCQDUDLPOKEH-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO CC(C)Oc1cc(C[N@@H+]2CCc3cccc(O)c3C2)c(Br)cn1 ZINC001238522130 1042628091 /nfs/dbraw/zinc/62/80/91/1042628091.db2.gz CKKXQIXEWKHQGD-UHFFFAOYSA-N 1 2 377.282 3.895 20 10 GHCDLO CC(C)Oc1cc(C[N@H+]2CCc3cccc(O)c3C2)c(Br)cn1 ZINC001238522130 1042628093 /nfs/dbraw/zinc/62/80/93/1042628093.db2.gz CKKXQIXEWKHQGD-UHFFFAOYSA-N 1 2 377.282 3.895 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cccnc3OCc3ccccc3)CC2)cc1 ZINC001238772805 1042722031 /nfs/dbraw/zinc/72/20/31/1042722031.db2.gz QSSGRMNMOGFJRE-UHFFFAOYSA-N 1 2 389.499 3.991 20 10 GHCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258673382 1044705062 /nfs/dbraw/zinc/70/50/62/1044705062.db2.gz RHMSTMKHVGMSJY-BZNIZROVSA-N 1 2 398.286 3.710 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC001262378158 1046254748 /nfs/dbraw/zinc/25/47/48/1046254748.db2.gz UCGGRICFEGVXIM-AULYBMBSSA-N 1 2 385.302 3.548 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4scnc4C)C[C@H]32)c(Cl)c1 ZINC001279665622 1047905829 /nfs/dbraw/zinc/90/58/29/1047905829.db2.gz QBUWGEXVKBXISF-SUMWQHHRSA-N 1 2 393.940 3.525 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CC[C@H]3CN(Cc4scnc4C)C[C@H]32)c(Cl)c1 ZINC001279665622 1047905831 /nfs/dbraw/zinc/90/58/31/1047905831.db2.gz QBUWGEXVKBXISF-SUMWQHHRSA-N 1 2 393.940 3.525 20 10 GHCDLO Cc1cc(C(=O)CSC[C@@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc(C)c(C)c1 ZINC001307363731 1049224547 /nfs/dbraw/zinc/22/45/47/1049224547.db2.gz MATNXUUANBQJRA-FQEVSTJZSA-N 1 2 386.561 3.957 20 10 GHCDLO Cc1cc(C(=O)CSC[C@@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc(C)c(C)c1 ZINC001307363731 1049224556 /nfs/dbraw/zinc/22/45/56/1049224556.db2.gz MATNXUUANBQJRA-FQEVSTJZSA-N 1 2 386.561 3.957 20 10 GHCDLO Cc1ccc(CN(CC[N@H+]2CCOC[C@H]2C)c2ccc3c(c2)OCCO3)s1 ZINC001307541791 1049385656 /nfs/dbraw/zinc/38/56/56/1049385656.db2.gz PDXFLTLSGNHIMW-MRXNPFEDSA-N 1 2 388.533 3.555 20 10 GHCDLO Cc1ccc(CN(CC[N@@H+]2CCOC[C@H]2C)c2ccc3c(c2)OCCO3)s1 ZINC001307541791 1049385668 /nfs/dbraw/zinc/38/56/68/1049385668.db2.gz PDXFLTLSGNHIMW-MRXNPFEDSA-N 1 2 388.533 3.555 20 10 GHCDLO COc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c(C)c1OC ZINC001308530117 1049999783 /nfs/dbraw/zinc/99/97/83/1049999783.db2.gz MKLWXOLVMQZDMI-UHFFFAOYSA-N 1 2 384.245 3.909 20 10 GHCDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc(Cl)cc3O)CC2)cs1 ZINC001308560305 1050008820 /nfs/dbraw/zinc/00/88/20/1050008820.db2.gz JJTGUBJDYROGTM-AWEZNQCLSA-N 1 2 395.956 3.917 20 10 GHCDLO COC(=O)c1[nH]c(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1C ZINC001308749194 1050080946 /nfs/dbraw/zinc/08/09/46/1050080946.db2.gz YRLCIDKQKMFKSO-UHFFFAOYSA-N 1 2 381.476 3.971 20 10 GHCDLO COC(=O)c1[nH]c(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1C ZINC001308749194 1050080950 /nfs/dbraw/zinc/08/09/50/1050080950.db2.gz YRLCIDKQKMFKSO-UHFFFAOYSA-N 1 2 381.476 3.971 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCc3c(F)ccc(Br)c3C2)cc1OC ZINC001308777571 1050090222 /nfs/dbraw/zinc/09/02/22/1050090222.db2.gz DMDFKXUTUJMAOA-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCc3c(F)ccc(Br)c3C2)cc1OC ZINC001308777571 1050090226 /nfs/dbraw/zinc/09/02/26/1050090226.db2.gz DMDFKXUTUJMAOA-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Br)c(F)cc1O ZINC001320420512 1055796670 /nfs/dbraw/zinc/79/66/70/1055796670.db2.gz PIZXLPPZXQDWAN-RYUDHWBXSA-N 1 2 387.293 3.593 20 10 GHCDLO C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(Br)c1O)c1ccsc1 ZINC001200631131 1056532710 /nfs/dbraw/zinc/53/27/10/1056532710.db2.gz RDYCPYVELCIMPN-CQSZACIVSA-N 1 2 376.703 3.867 20 10 GHCDLO C[C@@]1(CO)CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001323451311 1056971856 /nfs/dbraw/zinc/97/18/56/1056971856.db2.gz FNIOHDCXGXXBBQ-CQSZACIVSA-N 1 2 393.119 3.512 20 10 GHCDLO C[C@@]1(CO)CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001323451311 1056971857 /nfs/dbraw/zinc/97/18/57/1056971857.db2.gz FNIOHDCXGXXBBQ-CQSZACIVSA-N 1 2 393.119 3.512 20 10 GHCDLO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC001474114864 1074267641 /nfs/dbraw/zinc/26/76/41/1074267641.db2.gz NXQFUZYMHMAJSF-OAHLLOKOSA-N 1 2 384.701 3.810 20 10 GHCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC001474366919 1074367041 /nfs/dbraw/zinc/36/70/41/1074367041.db2.gz HMZRRYRTSAYJAB-INIZCTEOSA-N 1 2 393.256 3.531 20 10 GHCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC001474366919 1074367049 /nfs/dbraw/zinc/36/70/49/1074367049.db2.gz HMZRRYRTSAYJAB-INIZCTEOSA-N 1 2 393.256 3.531 20 10 GHCDLO CCOC(=O)C1(CC(F)F)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC001474748110 1074543896 /nfs/dbraw/zinc/54/38/96/1074543896.db2.gz LECYBFFSNMXCAS-UHFFFAOYSA-N 1 2 379.806 3.985 20 10 GHCDLO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(Br)c2O)c1 ZINC001560441032 1126210643 /nfs/dbraw/zinc/21/06/43/1126210643.db2.gz OBWZLGSNNBGZPZ-HNNXBMFYSA-N 1 2 384.701 3.810 20 10 GHCDLO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc(F)c1O ZINC000824293436 608580082 /nfs/dbraw/zinc/58/00/82/608580082.db2.gz LQUJSHYPCLFMQO-UHFFFAOYSA-N 1 2 375.835 3.775 20 10 GHCDLO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc(F)c1O ZINC000824293436 608580083 /nfs/dbraw/zinc/58/00/83/608580083.db2.gz LQUJSHYPCLFMQO-UHFFFAOYSA-N 1 2 375.835 3.775 20 10 GHCDLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccccc2F)Cc2c(O)ccc3ccccc32)C1 ZINC000176990729 835435209 /nfs/dbraw/zinc/43/52/09/835435209.db2.gz QRIPAUGWIRLROW-GOSISDBHSA-N 1 2 399.487 3.874 20 10 GHCDLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccccc2F)Cc2c(O)ccc3ccccc32)C1 ZINC000176990729 835435212 /nfs/dbraw/zinc/43/52/12/835435212.db2.gz QRIPAUGWIRLROW-GOSISDBHSA-N 1 2 399.487 3.874 20 10 GHCDLO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001167298735 837875829 /nfs/dbraw/zinc/87/58/29/837875829.db2.gz ZDOWNWBRQQPVPS-MRXNPFEDSA-N 1 2 390.483 3.911 20 10 GHCDLO CC(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001167298735 837875851 /nfs/dbraw/zinc/87/58/51/837875851.db2.gz ZDOWNWBRQQPVPS-MRXNPFEDSA-N 1 2 390.483 3.911 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756072370 838303912 /nfs/dbraw/zinc/30/39/12/838303912.db2.gz QSQOLCHXWHMVGR-VHSXEESVSA-N 1 2 391.281 3.858 20 10 GHCDLO C[C@H]1CN(C2CCOCC2)CC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000782900362 838316223 /nfs/dbraw/zinc/31/62/23/838316223.db2.gz XHFZPEMHAICXBY-INIZCTEOSA-N 1 2 384.520 3.702 20 10 GHCDLO C[C@H]1CN(C2CCOCC2)CC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000782900362 838316228 /nfs/dbraw/zinc/31/62/28/838316228.db2.gz XHFZPEMHAICXBY-INIZCTEOSA-N 1 2 384.520 3.702 20 10 GHCDLO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)C2 ZINC000363859229 839290536 /nfs/dbraw/zinc/29/05/36/839290536.db2.gz FHHCRTNOHJMEEA-RNCFNFMXSA-N 1 2 380.261 3.600 20 10 GHCDLO C[NH+]1CCN(c2ccc(CNc3ccc(C4C=NC(=S)N4)cc3)cc2)CC1 ZINC001167431106 840033566 /nfs/dbraw/zinc/03/35/66/840033566.db2.gz HGKCUMHBAZNRKP-UHFFFAOYSA-N 1 2 379.533 3.729 20 10 GHCDLO COC(=O)C[N@H+](CCSCc1ccccc1)Cc1cc(Cl)ccc1O ZINC001167742373 840580010 /nfs/dbraw/zinc/58/00/10/840580010.db2.gz YVFXJSOTLCMYGC-UHFFFAOYSA-N 1 2 379.909 3.954 20 10 GHCDLO COC(=O)C[N@@H+](CCSCc1ccccc1)Cc1cc(Cl)ccc1O ZINC001167742373 840580012 /nfs/dbraw/zinc/58/00/12/840580012.db2.gz YVFXJSOTLCMYGC-UHFFFAOYSA-N 1 2 379.909 3.954 20 10 GHCDLO CC(=O)NC1CC[NH+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255327550 841724584 /nfs/dbraw/zinc/72/45/84/841724584.db2.gz SHESFTLRIKLFSJ-UHFFFAOYSA-N 1 2 379.464 3.641 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+](C)Cc2nccn2CC(F)(F)F)c1O ZINC000271740243 846907856 /nfs/dbraw/zinc/90/78/56/846907856.db2.gz QHFSFEXMHUJRBX-UHFFFAOYSA-N 1 2 392.219 3.854 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c1O ZINC000271740243 846907863 /nfs/dbraw/zinc/90/78/63/846907863.db2.gz QHFSFEXMHUJRBX-UHFFFAOYSA-N 1 2 392.219 3.854 20 10 GHCDLO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1c1ncc(Br)cn1 ZINC000905734457 856521872 /nfs/dbraw/zinc/52/18/72/856521872.db2.gz FEFBUMNMNKOEOC-INIZCTEOSA-N 1 2 385.265 3.830 20 10 GHCDLO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]1c1ncc(Br)cn1 ZINC000905734457 856521887 /nfs/dbraw/zinc/52/18/87/856521887.db2.gz FEFBUMNMNKOEOC-INIZCTEOSA-N 1 2 385.265 3.830 20 10 GHCDLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1O ZINC000281177409 862873656 /nfs/dbraw/zinc/87/36/56/862873656.db2.gz QIKAGCRCKROSRL-RNCFNFMXSA-N 1 2 377.309 3.953 20 10 GHCDLO C[NH+](C)[C@H](C(=O)NCc1cccc(Br)c1O)c1cccc(Cl)c1 ZINC000765766529 857139825 /nfs/dbraw/zinc/13/98/25/857139825.db2.gz YMTPLZKWAFHKHA-HNNXBMFYSA-N 1 2 397.700 3.727 20 10 GHCDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)c1C ZINC000058957484 857822163 /nfs/dbraw/zinc/82/21/63/857822163.db2.gz RIQUYURQRPBMAY-UHFFFAOYSA-N 1 2 378.476 3.782 20 10 GHCDLO COc1ccccc1-n1c[nH+]c2cc(NCCc3cc(O)c(O)cc3O)ccc21 ZINC001168018312 858737154 /nfs/dbraw/zinc/73/71/54/858737154.db2.gz ZHGNESRZLXELPU-UHFFFAOYSA-N 1 2 391.427 3.806 20 10 GHCDLO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000920176865 881885818 /nfs/dbraw/zinc/88/58/18/881885818.db2.gz GWRCCYGVACGXET-MRXNPFEDSA-N 1 2 398.511 3.754 20 10 GHCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(O)ccc1Br ZINC000121318756 866494838 /nfs/dbraw/zinc/49/48/38/866494838.db2.gz LLMFODCLJJGFJT-UHFFFAOYSA-N 1 2 391.309 3.623 20 10 GHCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(O)ccc1Br ZINC000121318756 866494852 /nfs/dbraw/zinc/49/48/52/866494852.db2.gz LLMFODCLJJGFJT-UHFFFAOYSA-N 1 2 391.309 3.623 20 10 GHCDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000793242517 882039934 /nfs/dbraw/zinc/03/99/34/882039934.db2.gz RAENTMPNBFOVAI-UHFFFAOYSA-N 1 2 398.457 3.930 20 10 GHCDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)NCc1c(O)ccc2c1CCCC2 ZINC000743524912 868246749 /nfs/dbraw/zinc/24/67/49/868246749.db2.gz CHTCIDGZGKJQHS-UHFFFAOYSA-N 1 2 390.487 3.515 20 10 GHCDLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(Cl)c1O ZINC000775643059 872219115 /nfs/dbraw/zinc/21/91/15/872219115.db2.gz LWATVHZGXLSXBP-UHFFFAOYSA-N 1 2 383.673 3.879 20 10 GHCDLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(Cl)c1O ZINC000775643059 872219128 /nfs/dbraw/zinc/21/91/28/872219128.db2.gz LWATVHZGXLSXBP-UHFFFAOYSA-N 1 2 383.673 3.879 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(C)n1-c1cccc(F)c1 ZINC000767913976 872932199 /nfs/dbraw/zinc/93/21/99/872932199.db2.gz VVJJZVXQWMFWJU-TZIWHRDSSA-N 1 2 388.508 3.622 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)c(C)n1-c1cccc(F)c1 ZINC000767913976 872932203 /nfs/dbraw/zinc/93/22/03/872932203.db2.gz VVJJZVXQWMFWJU-TZIWHRDSSA-N 1 2 388.508 3.622 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000775835714 874332190 /nfs/dbraw/zinc/33/21/90/874332190.db2.gz IIDHFJYMEWKSFG-LSDHHAIUSA-N 1 2 377.496 3.675 20 10 GHCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000776094804 875331874 /nfs/dbraw/zinc/33/18/74/875331874.db2.gz UCRNQWUMADRNJA-UHFFFAOYSA-N 1 2 384.657 3.869 20 10 GHCDLO COc1cc(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c(O)c(C(C)(C)C)c1 ZINC000771639424 875375030 /nfs/dbraw/zinc/37/50/30/875375030.db2.gz YLJPPYWBPIEVBR-LJQANCHMSA-N 1 2 387.524 3.622 20 10 GHCDLO COc1cc(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c(O)c(C(C)(C)C)c1 ZINC000771639424 875375046 /nfs/dbraw/zinc/37/50/46/875375046.db2.gz YLJPPYWBPIEVBR-LJQANCHMSA-N 1 2 387.524 3.622 20 10 GHCDLO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000776252383 876031986 /nfs/dbraw/zinc/03/19/86/876031986.db2.gz SQSSNCXJZWUJDR-NVXWUHKLSA-N 1 2 383.250 3.900 20 10 GHCDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000179630299 877765884 /nfs/dbraw/zinc/76/58/84/877765884.db2.gz VYDINYLJCFALMO-UHFFFAOYSA-N 1 2 377.282 3.842 20 10 GHCDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(Br)c1O ZINC000179630299 877765890 /nfs/dbraw/zinc/76/58/90/877765890.db2.gz VYDINYLJCFALMO-UHFFFAOYSA-N 1 2 377.282 3.842 20 10 GHCDLO COc1cccc(C[NH+]2CCN(C(=O)c3sc4ccccc4c3C)CC2)c1O ZINC000093612893 912363479 /nfs/dbraw/zinc/36/34/79/912363479.db2.gz RYFTZFMKTXBWEN-UHFFFAOYSA-N 1 2 396.512 3.882 20 10 GHCDLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)c(C)n1-c1ccc(Br)cc1 ZINC000174745778 879965821 /nfs/dbraw/zinc/96/58/21/879965821.db2.gz PXRIEVJLEVLWLO-UHFFFAOYSA-N 1 2 387.281 3.552 20 10 GHCDLO COC(=O)[C@@H](C)[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000792188774 880976285 /nfs/dbraw/zinc/97/62/85/880976285.db2.gz YCSJFUYFIGIFJZ-OAHLLOKOSA-N 1 2 375.469 3.501 20 10 GHCDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000792188774 880976298 /nfs/dbraw/zinc/97/62/98/880976298.db2.gz YCSJFUYFIGIFJZ-OAHLLOKOSA-N 1 2 375.469 3.501 20 10 GHCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000806312905 884557032 /nfs/dbraw/zinc/55/70/32/884557032.db2.gz ZRYWPPAUBZCQSA-UHFFFAOYSA-N 1 2 378.219 3.601 20 10 GHCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000807838434 885803977 /nfs/dbraw/zinc/80/39/77/885803977.db2.gz RKLRYAHIGZNHJH-QGZVFWFLSA-N 1 2 379.287 3.980 20 10 GHCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000807838434 885803983 /nfs/dbraw/zinc/80/39/83/885803983.db2.gz RKLRYAHIGZNHJH-QGZVFWFLSA-N 1 2 379.287 3.980 20 10 GHCDLO OCC1([NH2+]Cc2cc(Br)cc(Br)c2O)CCCCC1 ZINC000762787196 886817504 /nfs/dbraw/zinc/81/75/04/886817504.db2.gz OAFMQFXKAPPIFI-UHFFFAOYSA-N 1 2 393.119 3.702 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(=O)C(C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000917110367 891273384 /nfs/dbraw/zinc/27/33/84/891273384.db2.gz RJVLUEFBQOYCPF-UHFFFAOYSA-N 1 2 395.547 3.822 20 10 GHCDLO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001137081570 892281649 /nfs/dbraw/zinc/28/16/49/892281649.db2.gz HDAQTEBGVIBBNG-CQSZACIVSA-N 1 2 386.402 3.563 20 10 GHCDLO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876614297 893256830 /nfs/dbraw/zinc/25/68/30/893256830.db2.gz JVMCYZFZXUISRR-UHFFFAOYSA-N 1 2 381.810 3.570 20 10 GHCDLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)[C@H]1n1cccn1 ZINC000815661163 894075305 /nfs/dbraw/zinc/07/53/05/894075305.db2.gz VCWNREVOYCAEOH-MZORAGNBSA-N 1 2 398.276 3.560 20 10 GHCDLO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000289148600 914057738 /nfs/dbraw/zinc/05/77/38/914057738.db2.gz GDNSZXFDXLJNGF-QFBILLFUSA-N 1 2 399.445 3.754 20 10 GHCDLO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883184657 897347467 /nfs/dbraw/zinc/34/74/67/897347467.db2.gz BOAMSXNBZSBVAG-UHFFFAOYSA-N 1 2 398.610 3.850 20 10 GHCDLO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000824636232 899729997 /nfs/dbraw/zinc/72/99/97/899729997.db2.gz MRACAGXQKVWGFM-ZANVPECISA-N 1 2 393.119 3.510 20 10 GHCDLO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000824636232 899730008 /nfs/dbraw/zinc/73/00/08/899730008.db2.gz MRACAGXQKVWGFM-ZANVPECISA-N 1 2 393.119 3.510 20 10 GHCDLO OCC1(CC[NH2+]Cc2cc(Br)cc(Br)c2O)CCC1 ZINC000846104420 902717893 /nfs/dbraw/zinc/71/78/93/902717893.db2.gz GVWQOGVMVGJNME-UHFFFAOYSA-N 1 2 393.119 3.560 20 10 GHCDLO COc1ccccc1-n1c[nH+]c2cc(NCc3ccccc3-n3cnnn3)ccc21 ZINC001171424955 904571790 /nfs/dbraw/zinc/57/17/90/904571790.db2.gz WJOCHKGDYVBPBG-UHFFFAOYSA-N 1 2 397.442 3.622 20 10 GHCDLO Fc1ccc([C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)c2ncc[nH]2)cc1 ZINC000187792844 904839318 /nfs/dbraw/zinc/83/93/18/904839318.db2.gz VAURVRYAIHRCKX-HXUWFJFHSA-N 1 2 382.508 3.981 20 10 GHCDLO O=C(NCc1ccc(N2CCCC2)cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193128864 908094279 /nfs/dbraw/zinc/09/42/79/908094279.db2.gz MCNBIDZIZAVRAW-UHFFFAOYSA-N 1 2 393.535 3.672 20 10 GHCDLO C[NH+]1CCC(N(Cc2ccco2)Cc2cc(Br)cc(F)c2O)CC1 ZINC001181534233 910824238 /nfs/dbraw/zinc/82/42/38/910824238.db2.gz HPISFTCKJYZWAK-UHFFFAOYSA-N 1 2 397.288 3.983 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCc3cc(Br)ccc3C2)ccc1[N+](=O)[O-] ZINC000775110592 915191868 /nfs/dbraw/zinc/19/18/68/915191868.db2.gz GKSIFKMTEZXLJP-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCc3cc(Br)ccc3C2)ccc1[N+](=O)[O-] ZINC000775110592 915191872 /nfs/dbraw/zinc/19/18/72/915191872.db2.gz GKSIFKMTEZXLJP-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000775206683 916285642 /nfs/dbraw/zinc/28/56/42/916285642.db2.gz XHKXJZUAGKXZQQ-UHFFFAOYSA-N 1 2 377.828 3.701 20 10 GHCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCC1 ZINC000651255206 917553385 /nfs/dbraw/zinc/55/33/85/917553385.db2.gz KSCSLHLZBVMMSF-QGZVFWFLSA-N 1 2 392.503 3.589 20 10 GHCDLO COc1c(O)c(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000364757477 919953591 /nfs/dbraw/zinc/95/35/91/919953591.db2.gz HFJBRQBGURRHAA-SFHVURJKSA-N 1 2 383.379 3.722 20 10 GHCDLO CCC1(O)CC[NH+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)CC1 ZINC000827900598 926226274 /nfs/dbraw/zinc/22/62/74/926226274.db2.gz PWAVITGCKIVYRH-UHFFFAOYSA-N 1 2 375.900 3.562 20 10 GHCDLO Oc1ccc2oc3c(c2c1C[N@@H+]1CCO[C@H](c2noc(C4CC4)n2)C1)CCCC3 ZINC000750007147 927390909 /nfs/dbraw/zinc/39/09/09/927390909.db2.gz BZZJIAXDMXHEPK-IBGZPJMESA-N 1 2 395.459 3.851 20 10 GHCDLO Oc1ccc2oc3c(c2c1C[N@H+]1CCO[C@H](c2noc(C4CC4)n2)C1)CCCC3 ZINC000750007147 927390920 /nfs/dbraw/zinc/39/09/20/927390920.db2.gz BZZJIAXDMXHEPK-IBGZPJMESA-N 1 2 395.459 3.851 20 10 GHCDLO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000753575135 929426510 /nfs/dbraw/zinc/42/65/10/929426510.db2.gz GKGNWNVSYXQRJC-SDBXPKJASA-N 1 2 379.092 3.574 20 10 GHCDLO Cc1csc(N2CC[NH+](Cc3cc(C)cc(Br)c3O)CC2)n1 ZINC000781895977 931016920 /nfs/dbraw/zinc/01/69/20/931016920.db2.gz FUYKBHHKLCDAGI-UHFFFAOYSA-N 1 2 382.327 3.550 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)c(C)n1-c1ccccc1C ZINC000784606266 931955050 /nfs/dbraw/zinc/95/50/50/931955050.db2.gz HMWADTCIXLLYSU-UHFFFAOYSA-N 1 2 396.531 3.714 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCOCC3(CCOCC3)C2)c(C)n1-c1ccccc1C ZINC000784606266 931955056 /nfs/dbraw/zinc/95/50/56/931955056.db2.gz HMWADTCIXLLYSU-UHFFFAOYSA-N 1 2 396.531 3.714 20 10 GHCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000799886413 933151806 /nfs/dbraw/zinc/15/18/06/933151806.db2.gz PJVPXWBFWRSEDQ-HZPDHXFCSA-N 1 2 389.931 3.661 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001124126403 935346296 /nfs/dbraw/zinc/34/62/96/935346296.db2.gz MSSUFUTUGGQTTD-UHFFFAOYSA-N 1 2 390.487 3.660 20 10 GHCDLO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)ccc1N1CCCCC1 ZINC000828059214 935571321 /nfs/dbraw/zinc/57/13/21/935571321.db2.gz OAEQAMXVNQBXNF-IFMALSPDSA-N 1 2 384.520 3.903 20 10 GHCDLO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)ccc1N1CCCCC1 ZINC000828059214 935571324 /nfs/dbraw/zinc/57/13/24/935571324.db2.gz OAEQAMXVNQBXNF-IFMALSPDSA-N 1 2 384.520 3.903 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001137834930 935814107 /nfs/dbraw/zinc/81/41/07/935814107.db2.gz ZBJJNEHVAUAQAO-KRWDZBQOSA-N 1 2 385.483 3.664 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001137834930 935814108 /nfs/dbraw/zinc/81/41/08/935814108.db2.gz ZBJJNEHVAUAQAO-KRWDZBQOSA-N 1 2 385.483 3.664 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2O)N1CCC(F)(F)F ZINC001277232554 1032520627 /nfs/dbraw/zinc/52/06/27/1032520627.db2.gz UAUHTTTYKGXLCQ-ZIAGYGMSSA-N 1 2 376.806 3.563 20 10 GHCDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(Cl)c2O)N1CCC(F)(F)F ZINC001277232554 1032520633 /nfs/dbraw/zinc/52/06/33/1032520633.db2.gz UAUHTTTYKGXLCQ-ZIAGYGMSSA-N 1 2 376.806 3.563 20 10 GHCDLO O=C1N(CC(F)(F)F)CC[C@]12CCC[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC001277232535 1032521030 /nfs/dbraw/zinc/52/10/30/1032521030.db2.gz SSADCXPBWGTEEU-QGZVFWFLSA-N 1 2 390.833 3.813 20 10 GHCDLO O=C1N(CC(F)(F)F)CC[C@]12CCC[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC001277232535 1032521036 /nfs/dbraw/zinc/52/10/36/1032521036.db2.gz SSADCXPBWGTEEU-QGZVFWFLSA-N 1 2 390.833 3.813 20 10 GHCDLO CC[NH+](CC)C[C@H](C)Oc1c(=O)c2ccc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001228365809 1032908218 /nfs/dbraw/zinc/90/82/18/1032908218.db2.gz OMPYOMRZNFYSLJ-ZDUSSCGKSA-N 1 2 399.443 3.686 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000748833918 1021724310 /nfs/dbraw/zinc/72/43/10/1021724310.db2.gz VSZCRCFAJVTYJV-NRFANRHFSA-N 1 2 382.504 3.547 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCC1(F)F ZINC001140464370 1021755920 /nfs/dbraw/zinc/75/59/20/1021755920.db2.gz MXIDGPNWCPTGGU-AWEZNQCLSA-N 1 2 376.831 3.780 20 10 GHCDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCC1(F)F ZINC001140464370 1021755937 /nfs/dbraw/zinc/75/59/37/1021755937.db2.gz MXIDGPNWCPTGGU-AWEZNQCLSA-N 1 2 376.831 3.780 20 10 GHCDLO CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cc(F)cc1F ZINC001140585313 1022009149 /nfs/dbraw/zinc/00/91/49/1022009149.db2.gz FBGYFBGHFQSHFI-LQDVMPOASA-N 1 2 382.451 3.938 20 10 GHCDLO CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001140585313 1022009155 /nfs/dbraw/zinc/00/91/55/1022009155.db2.gz FBGYFBGHFQSHFI-LQDVMPOASA-N 1 2 382.451 3.938 20 10 GHCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(O)cccc1Br ZINC001204749813 1033064899 /nfs/dbraw/zinc/06/48/99/1033064899.db2.gz KSRKZRYKJUFBOD-GFCCVEGCSA-N 1 2 385.302 3.596 20 10 GHCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1c(O)cccc1Br ZINC001204749813 1033064919 /nfs/dbraw/zinc/06/49/19/1033064919.db2.gz KSRKZRYKJUFBOD-GFCCVEGCSA-N 1 2 385.302 3.596 20 10 GHCDLO C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cc(Br)c(F)cc1O ZINC000756359678 1023605182 /nfs/dbraw/zinc/60/51/82/1023605182.db2.gz QIMIPFJMXNPRRK-NEPJUHHUSA-N 1 2 376.266 3.530 20 10 GHCDLO CNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000756394391 1023626923 /nfs/dbraw/zinc/62/69/23/1023626923.db2.gz CVWXDGFIGMDGKL-SNVBAGLBSA-N 1 2 381.245 3.504 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)cc(F)c1O ZINC000756503786 1023687624 /nfs/dbraw/zinc/68/76/24/1023687624.db2.gz PPBDVFSHYHSKMD-WCBMZHEXSA-N 1 2 385.199 3.581 20 10 GHCDLO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(Br)c(F)cc1O ZINC000756571649 1023717075 /nfs/dbraw/zinc/71/70/75/1023717075.db2.gz CMTJOGLBTMZVDP-LLVKDONJSA-N 1 2 387.293 3.593 20 10 GHCDLO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000756642612 1023751098 /nfs/dbraw/zinc/75/10/98/1023751098.db2.gz OOVQZXBBCZWYAT-ABSDTBQOSA-N 1 2 382.504 3.883 20 10 GHCDLO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000756642612 1023751101 /nfs/dbraw/zinc/75/11/01/1023751101.db2.gz OOVQZXBBCZWYAT-ABSDTBQOSA-N 1 2 382.504 3.883 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Br)c(F)cc1O ZINC000756757095 1023802450 /nfs/dbraw/zinc/80/24/50/1023802450.db2.gz BRMGPQQLNLTSGY-USBNGQNGSA-N 1 2 390.318 3.999 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3c(F)ccc(C)c3F)CC2)cc1 ZINC001138120782 1024157661 /nfs/dbraw/zinc/15/76/61/1024157661.db2.gz JCUHQKYENUVKOA-UHFFFAOYSA-N 1 2 376.447 3.621 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(F)c1O ZINC001138131279 1024186635 /nfs/dbraw/zinc/18/66/35/1024186635.db2.gz UZWWCOFMGRHGLQ-SFHVURJKSA-N 1 2 386.467 3.983 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(F)c1O ZINC001138131279 1024186647 /nfs/dbraw/zinc/18/66/47/1024186647.db2.gz UZWWCOFMGRHGLQ-SFHVURJKSA-N 1 2 386.467 3.983 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1Br ZINC001138296565 1024576757 /nfs/dbraw/zinc/57/67/57/1024576757.db2.gz RPFXPSQFZZVQGY-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO COc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc1Br ZINC001138296565 1024576766 /nfs/dbraw/zinc/57/67/66/1024576766.db2.gz RPFXPSQFZZVQGY-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001141368741 1024746285 /nfs/dbraw/zinc/74/62/85/1024746285.db2.gz ADXCCENDUODHMT-DLBZAZTESA-N 1 2 396.712 3.986 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001141368741 1024746298 /nfs/dbraw/zinc/74/62/98/1024746298.db2.gz ADXCCENDUODHMT-DLBZAZTESA-N 1 2 396.712 3.986 20 10 GHCDLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141376745 1024773782 /nfs/dbraw/zinc/77/37/82/1024773782.db2.gz CBZWPTJKBGFFCK-LLVKDONJSA-N 1 2 390.705 3.973 20 10 GHCDLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141376745 1024773791 /nfs/dbraw/zinc/77/37/91/1024773791.db2.gz CBZWPTJKBGFFCK-LLVKDONJSA-N 1 2 390.705 3.973 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001139129215 1025942126 /nfs/dbraw/zinc/94/21/26/1025942126.db2.gz QUECYSLTEZPALU-CQSZACIVSA-N 1 2 387.382 3.739 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001139129215 1025942128 /nfs/dbraw/zinc/94/21/28/1025942128.db2.gz QUECYSLTEZPALU-CQSZACIVSA-N 1 2 387.382 3.739 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000839915492 1026344293 /nfs/dbraw/zinc/34/42/93/1026344293.db2.gz FWCQTWZNRFZHCZ-GOSISDBHSA-N 1 2 376.504 3.667 20 10 GHCDLO Oc1cccc(Br)c1C[NH+]1CCN(Cc2c(F)cccc2F)CC1 ZINC001140103280 1026883796 /nfs/dbraw/zinc/88/37/96/1026883796.db2.gz HOBYOTOWMAVOLK-UHFFFAOYSA-N 1 2 397.263 3.751 20 10 GHCDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000841297090 1028388715 /nfs/dbraw/zinc/38/87/15/1028388715.db2.gz NDBDJIVMCBBPQA-FUHWJXTLSA-N 1 2 378.398 3.643 20 10 GHCDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000841297090 1028388732 /nfs/dbraw/zinc/38/87/32/1028388732.db2.gz NDBDJIVMCBBPQA-FUHWJXTLSA-N 1 2 378.398 3.643 20 10 GHCDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@H](O)C(F)(F)F ZINC001461400821 1069534616 /nfs/dbraw/zinc/53/46/16/1069534616.db2.gz PPXDVNNRPHVECV-ONGXEEELSA-N 1 2 376.600 3.600 20 10 GHCDLO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512847 1029016481 /nfs/dbraw/zinc/01/64/81/1029016481.db2.gz NINWLJMUXBSVTA-MRXNPFEDSA-N 1 2 392.446 3.519 20 10 GHCDLO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512847 1029016497 /nfs/dbraw/zinc/01/64/97/1029016497.db2.gz NINWLJMUXBSVTA-MRXNPFEDSA-N 1 2 392.446 3.519 20 10 GHCDLO Oc1ccc(-c2nc(-c3ccc(Cl)cc3F)no2)cc1C[NH+]1CCOCC1 ZINC001217055742 1030126712 /nfs/dbraw/zinc/12/67/12/1030126712.db2.gz YOASFVASXHVOGE-UHFFFAOYSA-N 1 2 389.814 3.734 20 10 GHCDLO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001207414282 1034350992 /nfs/dbraw/zinc/35/09/92/1034350992.db2.gz DZTIBQJVWUTQKO-NSHDSACASA-N 1 2 390.705 3.973 20 10 GHCDLO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001207414282 1034351002 /nfs/dbraw/zinc/35/10/02/1034351002.db2.gz DZTIBQJVWUTQKO-NSHDSACASA-N 1 2 390.705 3.973 20 10 GHCDLO COc1ccc(Br)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC001231557052 1034709803 /nfs/dbraw/zinc/70/98/03/1034709803.db2.gz ORZGWQQHVOIQSI-HNNXBMFYSA-N 1 2 392.293 3.607 20 10 GHCDLO COc1ccc(Br)c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC001231557052 1034709819 /nfs/dbraw/zinc/70/98/19/1034709819.db2.gz ORZGWQQHVOIQSI-HNNXBMFYSA-N 1 2 392.293 3.607 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3c(Cl)cc(OC)cc3OC)CC2)cc1 ZINC001231693976 1034841829 /nfs/dbraw/zinc/84/18/29/1034841829.db2.gz KGOLEVWZKFWLAP-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)[C@@H]2CCCO[C@H]12 ZINC001231911344 1034985927 /nfs/dbraw/zinc/98/59/27/1034985927.db2.gz KKBHXLNXZKTGQX-GGPKGHCWSA-N 1 2 376.884 3.502 20 10 GHCDLO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)[C@@H]2CCCO[C@H]12 ZINC001231911344 1034985935 /nfs/dbraw/zinc/98/59/35/1034985935.db2.gz KKBHXLNXZKTGQX-GGPKGHCWSA-N 1 2 376.884 3.502 20 10 GHCDLO CCOCc1nnn2c1C[N@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)CCC2 ZINC001248882991 1036223336 /nfs/dbraw/zinc/22/33/36/1036223336.db2.gz RSSLGQQSCJLHMZ-UHFFFAOYSA-N 1 2 392.931 3.877 20 10 GHCDLO CCOCc1nnn2c1C[N@@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)CCC2 ZINC001248882991 1036223349 /nfs/dbraw/zinc/22/33/49/1036223349.db2.gz RSSLGQQSCJLHMZ-UHFFFAOYSA-N 1 2 392.931 3.877 20 10 GHCDLO COC(=O)[C@H](C[C@H]1CCCc2ccccc21)[NH2+]Cc1cc(C)cc(OC)c1O ZINC001462112290 1070001289 /nfs/dbraw/zinc/00/12/89/1070001289.db2.gz HIPKDXSAGOAXNB-XLIONFOSSA-N 1 2 383.488 3.851 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(OC)c(Cl)cc3OC)CC2)c(C)c1 ZINC001232375506 1038150508 /nfs/dbraw/zinc/15/05/08/1038150508.db2.gz LHXRUJBFCSGQHG-UHFFFAOYSA-N 1 2 390.911 3.996 20 10 GHCDLO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001462272799 1070136823 /nfs/dbraw/zinc/13/68/23/1070136823.db2.gz FQEOUQCIHHHWSY-GOSISDBHSA-N 1 2 396.712 3.944 20 10 GHCDLO OC[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001462272799 1070136824 /nfs/dbraw/zinc/13/68/24/1070136824.db2.gz FQEOUQCIHHHWSY-GOSISDBHSA-N 1 2 396.712 3.944 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001233032229 1038784328 /nfs/dbraw/zinc/78/43/28/1038784328.db2.gz WRCMCIGXVFPSCY-UHFFFAOYSA-N 1 2 395.272 3.870 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001233032229 1038784342 /nfs/dbraw/zinc/78/43/42/1038784342.db2.gz WRCMCIGXVFPSCY-UHFFFAOYSA-N 1 2 395.272 3.870 20 10 GHCDLO CCC(=O)N(CC)C1CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233033692 1038788696 /nfs/dbraw/zinc/78/86/96/1038788696.db2.gz UNJIPQHZKMITFL-UHFFFAOYSA-N 1 2 387.293 3.517 20 10 GHCDLO Cc1cc(Br)cc(C[NH+]2CCN(c3ncccc3Cl)CC2)c1O ZINC001233110119 1038901146 /nfs/dbraw/zinc/90/11/46/1038901146.db2.gz UQXWIIVAJYDCJR-UHFFFAOYSA-N 1 2 396.716 3.834 20 10 GHCDLO CCOC(=O)c1c(C[N@H+](C)Cc2cccc3c2OCO3)c2ccccc2n1C ZINC001233273708 1039043712 /nfs/dbraw/zinc/04/37/12/1039043712.db2.gz OPJZYHVGQLJDMY-UHFFFAOYSA-N 1 2 380.444 3.716 20 10 GHCDLO CCOC(=O)c1c(C[N@@H+](C)Cc2cccc3c2OCO3)c2ccccc2n1C ZINC001233273708 1039043736 /nfs/dbraw/zinc/04/37/36/1039043736.db2.gz OPJZYHVGQLJDMY-UHFFFAOYSA-N 1 2 380.444 3.716 20 10 GHCDLO O=C1CCc2cc(N3CC[NH+](Cc4cccc(C(F)(F)F)c4O)CC3)ccc21 ZINC001233419551 1039282206 /nfs/dbraw/zinc/28/22/06/1039282206.db2.gz CIPUOSQOQNAVFN-UHFFFAOYSA-N 1 2 390.405 3.862 20 10 GHCDLO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235066124 1040554411 /nfs/dbraw/zinc/55/44/11/1040554411.db2.gz WDFHUZMCTLUHKU-GOSISDBHSA-N 1 2 399.304 3.661 20 10 GHCDLO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC001235066124 1040554421 /nfs/dbraw/zinc/55/44/21/1040554421.db2.gz WDFHUZMCTLUHKU-GOSISDBHSA-N 1 2 399.304 3.661 20 10 GHCDLO CN(CC[N@H+](C)Cc1ccccc1)Cc1cc(Br)cc(F)c1O ZINC001235066565 1040555593 /nfs/dbraw/zinc/55/55/93/1040555593.db2.gz KWORSNDVGXYCGS-UHFFFAOYSA-N 1 2 381.289 3.858 20 10 GHCDLO CN(CC[N@@H+](C)Cc1ccccc1)Cc1cc(Br)cc(F)c1O ZINC001235066565 1040555613 /nfs/dbraw/zinc/55/56/13/1040555613.db2.gz KWORSNDVGXYCGS-UHFFFAOYSA-N 1 2 381.289 3.858 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC001235066792 1040558784 /nfs/dbraw/zinc/55/87/84/1040558784.db2.gz NJHYEUHBZRRKNL-ZDUSSCGKSA-N 1 2 388.277 3.990 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC001235066792 1040558801 /nfs/dbraw/zinc/55/88/01/1040558801.db2.gz NJHYEUHBZRRKNL-ZDUSSCGKSA-N 1 2 388.277 3.990 20 10 GHCDLO Oc1c(F)cc(Br)cc1CN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001235069484 1040559910 /nfs/dbraw/zinc/55/99/10/1040559910.db2.gz UQABTCWJLQQOPV-UHFFFAOYSA-N 1 2 391.284 3.754 20 10 GHCDLO Oc1c(F)cc(Br)cc1CN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001235069484 1040559928 /nfs/dbraw/zinc/55/99/28/1040559928.db2.gz UQABTCWJLQQOPV-UHFFFAOYSA-N 1 2 391.284 3.754 20 10 GHCDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(F)cc(Br)c1O ZINC001235297461 1040769461 /nfs/dbraw/zinc/76/94/61/1040769461.db2.gz MKSWIUSBZNTUAH-UHFFFAOYSA-N 1 2 382.229 3.697 20 10 GHCDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(F)cc(Br)c1O ZINC001235297461 1040769481 /nfs/dbraw/zinc/76/94/81/1040769481.db2.gz MKSWIUSBZNTUAH-UHFFFAOYSA-N 1 2 382.229 3.697 20 10 GHCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C)cc(Br)c1O)CC2 ZINC001236665348 1041813001 /nfs/dbraw/zinc/81/30/01/1041813001.db2.gz IUKOCKZZNSMJDJ-UHFFFAOYSA-N 1 2 390.277 3.808 20 10 GHCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(C)cc(Br)c1O)CC2 ZINC001236665348 1041813008 /nfs/dbraw/zinc/81/30/08/1041813008.db2.gz IUKOCKZZNSMJDJ-UHFFFAOYSA-N 1 2 390.277 3.808 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3ncccc3Cl)CC2)c1 ZINC001236668257 1041814323 /nfs/dbraw/zinc/81/43/23/1041814323.db2.gz BKELDKXXAQEGHC-UHFFFAOYSA-N 1 2 396.716 3.834 20 10 GHCDLO Oc1cc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c(O)cc1Br ZINC001236774474 1041884134 /nfs/dbraw/zinc/88/41/34/1041884134.db2.gz DFRBHFUQIXUJHJ-OAHLLOKOSA-N 1 2 378.266 3.651 20 10 GHCDLO Oc1cc(C[N@H+]2CC[C@@H]2COCc2ccccc2)c(O)cc1Br ZINC001236774474 1041884137 /nfs/dbraw/zinc/88/41/37/1041884137.db2.gz DFRBHFUQIXUJHJ-OAHLLOKOSA-N 1 2 378.266 3.651 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236808744 1041909815 /nfs/dbraw/zinc/90/98/15/1041909815.db2.gz IRYHHXWURWWNBV-OCCSQVGLSA-N 1 2 384.904 3.789 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236808744 1041909817 /nfs/dbraw/zinc/90/98/17/1041909817.db2.gz IRYHHXWURWWNBV-OCCSQVGLSA-N 1 2 384.904 3.789 20 10 GHCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237061905 1042016311 /nfs/dbraw/zinc/01/63/11/1042016311.db2.gz LXKLASBYRFXMJB-UHFFFAOYSA-N 1 2 381.350 3.636 20 10 GHCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237061905 1042016314 /nfs/dbraw/zinc/01/63/14/1042016314.db2.gz LXKLASBYRFXMJB-UHFFFAOYSA-N 1 2 381.350 3.636 20 10 GHCDLO O=C1N(CC(F)(F)F)CCC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237624312 1042290794 /nfs/dbraw/zinc/29/07/94/1042290794.db2.gz SFGPPTBATNGQIX-UHFFFAOYSA-N 1 2 394.796 3.562 20 10 GHCDLO O=C1NC[C@H](c2ccccc2)C12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237800412 1042376594 /nfs/dbraw/zinc/37/65/94/1042376594.db2.gz NVSYTKKAYLDXSF-QGZVFWFLSA-N 1 2 388.870 3.681 20 10 GHCDLO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cc(F)cc(Cl)c1O)[C@H]2C ZINC001237801056 1042377191 /nfs/dbraw/zinc/37/71/91/1042377191.db2.gz QUULGXPDUZJJIM-ZDUSSCGKSA-N 1 2 380.895 3.798 20 10 GHCDLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1cc(F)cc(Cl)c1O)[C@H]2C ZINC001237801056 1042377193 /nfs/dbraw/zinc/37/71/93/1042377193.db2.gz QUULGXPDUZJJIM-ZDUSSCGKSA-N 1 2 380.895 3.798 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)Cc2cnn(CC3CC3)c21 ZINC001237936702 1042428137 /nfs/dbraw/zinc/42/81/37/1042428137.db2.gz LIWMYUHJBOGARX-MRXNPFEDSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)Cc2cnn(CC3CC3)c21 ZINC001237936702 1042428139 /nfs/dbraw/zinc/42/81/39/1042428139.db2.gz LIWMYUHJBOGARX-MRXNPFEDSA-N 1 2 393.890 3.927 20 10 GHCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001295595645 1045063584 /nfs/dbraw/zinc/06/35/84/1045063584.db2.gz VHKOLXWMXBAIDA-IEBWSBKVSA-N 1 2 375.472 3.941 20 10 GHCDLO O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(Cl)c1O ZINC001279442093 1047808369 /nfs/dbraw/zinc/80/83/69/1047808369.db2.gz LGBWRXRIQGHCGQ-IRXDYDNUSA-N 1 2 376.909 3.525 20 10 GHCDLO O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(Cl)c1O ZINC001279442093 1047808372 /nfs/dbraw/zinc/80/83/72/1047808372.db2.gz LGBWRXRIQGHCGQ-IRXDYDNUSA-N 1 2 376.909 3.525 20 10 GHCDLO COc1ccc(CN2CC3(C2)C[NH+](CCCC(F)(F)F)C3)c(O)c1Cl ZINC001279666221 1047906169 /nfs/dbraw/zinc/90/61/69/1047906169.db2.gz XYHBMOUGQCXUPO-UHFFFAOYSA-N 1 2 378.822 3.514 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279674989 1047909657 /nfs/dbraw/zinc/90/96/57/1047909657.db2.gz TVJNHBLTXCBOQM-UHFFFAOYSA-N 1 2 381.307 3.520 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279674989 1047909660 /nfs/dbraw/zinc/90/96/60/1047909660.db2.gz TVJNHBLTXCBOQM-UHFFFAOYSA-N 1 2 381.307 3.520 20 10 GHCDLO Cc1cc(C(=O)CSC[C@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc(C)c(C)c1 ZINC001307363732 1049224420 /nfs/dbraw/zinc/22/44/20/1049224420.db2.gz MATNXUUANBQJRA-HXUWFJFHSA-N 1 2 386.561 3.957 20 10 GHCDLO Cc1cc(C(=O)CSC[C@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc(C)c(C)c1 ZINC001307363732 1049224431 /nfs/dbraw/zinc/22/44/31/1049224431.db2.gz MATNXUUANBQJRA-HXUWFJFHSA-N 1 2 386.561 3.957 20 10 GHCDLO Clc1ccc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)s1 ZINC001319711999 1055417122 /nfs/dbraw/zinc/41/71/22/1055417122.db2.gz NYGMQHNDRJHXJS-QGZVFWFLSA-N 1 2 378.925 3.812 20 10 GHCDLO Clc1ccc([C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)s1 ZINC001319711999 1055417132 /nfs/dbraw/zinc/41/71/32/1055417132.db2.gz NYGMQHNDRJHXJS-QGZVFWFLSA-N 1 2 378.925 3.812 20 10 GHCDLO C[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Br)c(F)cc1O ZINC001320420509 1055796274 /nfs/dbraw/zinc/79/62/74/1055796274.db2.gz PIZXLPPZXQDWAN-NWDGAFQWSA-N 1 2 387.293 3.593 20 10 GHCDLO Cc1cc(CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1-c1ccccc1 ZINC001446011161 1059676952 /nfs/dbraw/zinc/67/69/52/1059676952.db2.gz BZZHREKAIZPTEA-VGSWGCGISA-N 1 2 376.504 3.943 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001436110998 1063201937 /nfs/dbraw/zinc/20/19/37/1063201937.db2.gz PXVMSIXGCXQOGR-KRWDZBQOSA-N 1 2 389.927 3.540 20 10 GHCDLO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC001467944141 1067540427 /nfs/dbraw/zinc/54/04/27/1067540427.db2.gz XTLJKFSRBXVXMM-UHFFFAOYSA-N 1 2 393.535 3.624 20 10 GHCDLO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222725 1073871580 /nfs/dbraw/zinc/87/15/80/1073871580.db2.gz IKUMVPJAWHVRAD-HUUCEWRRSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222725 1073871585 /nfs/dbraw/zinc/87/15/85/1073871585.db2.gz IKUMVPJAWHVRAD-HUUCEWRRSA-N 1 2 376.456 3.521 20 10 GHCDLO O=c1[nH]c2c(cc1C[NH2+]Cc1cc(Br)cc(F)c1O)CCCC2 ZINC001474242282 1074306944 /nfs/dbraw/zinc/30/69/44/1074306944.db2.gz IYKRFOSQFYCQPB-UHFFFAOYSA-N 1 2 381.245 3.563 20 10 GHCDLO COc1c(O)c(C[NH2+]Cc2csc(CCc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000278533366 835319380 /nfs/dbraw/zinc/31/93/80/835319380.db2.gz VMHDMCARHOBFSA-UHFFFAOYSA-N 1 2 399.472 3.841 20 10 GHCDLO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756616380 840368651 /nfs/dbraw/zinc/36/86/51/840368651.db2.gz ZCMFEMNDKFCIJM-UWVGGRQHSA-N 1 2 384.293 3.926 20 10 GHCDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000271831134 846929761 /nfs/dbraw/zinc/92/97/61/846929761.db2.gz OVNPNUXUBKEWSA-LDYMZIIASA-N 1 2 379.092 3.574 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C1=CC(=O)CS1 ZINC000731871090 861939969 /nfs/dbraw/zinc/93/99/69/861939969.db2.gz WFYIYOYVXWDNPR-UHFFFAOYSA-N 1 2 384.423 3.867 20 10 GHCDLO COC1(C(F)(F)F)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000895026363 854440490 /nfs/dbraw/zinc/44/04/90/854440490.db2.gz XIIGANSYNRUITI-UHFFFAOYSA-N 1 2 386.183 3.837 20 10 GHCDLO C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1O ZINC000281177411 862874071 /nfs/dbraw/zinc/87/40/71/862874071.db2.gz QIKAGCRCKROSRL-TVQRCGJNSA-N 1 2 377.309 3.953 20 10 GHCDLO CC(C)OC(=O)Cc1nc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000727588574 860145113 /nfs/dbraw/zinc/14/51/13/860145113.db2.gz TVQQXMZNRMRUPV-UHFFFAOYSA-N 1 2 387.549 3.868 20 10 GHCDLO CC(C)OC(=O)Cc1nc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000727588574 860145119 /nfs/dbraw/zinc/14/51/19/860145119.db2.gz TVQQXMZNRMRUPV-UHFFFAOYSA-N 1 2 387.549 3.868 20 10 GHCDLO O=C1/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1CCc1cccnc1 ZINC000170811132 860735634 /nfs/dbraw/zinc/73/56/34/860735634.db2.gz YGRSHLDLYHFODJ-LDADJPATSA-N 1 2 392.509 3.711 20 10 GHCDLO Cc1cc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(C)n1-c1ccccc1 ZINC000856736875 881703240 /nfs/dbraw/zinc/70/32/40/881703240.db2.gz OMAKXOQEQSCSRC-UHFFFAOYSA-N 1 2 380.517 3.720 20 10 GHCDLO Cc1cc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(C)n1-c1ccccc1 ZINC000856736875 881703252 /nfs/dbraw/zinc/70/32/52/881703252.db2.gz OMAKXOQEQSCSRC-UHFFFAOYSA-N 1 2 380.517 3.720 20 10 GHCDLO COc1ccc(N2CCC(Nc3[nH+]cnc4c3cnn4C(C)(C)C)CC2)cc1 ZINC000301832400 865556352 /nfs/dbraw/zinc/55/63/52/865556352.db2.gz JCLNTQBBQDKFHY-UHFFFAOYSA-N 1 2 380.496 3.671 20 10 GHCDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cc(Br)c2O)C1 ZINC000809693715 887669596 /nfs/dbraw/zinc/66/95/96/887669596.db2.gz ZCRMAGQRDKKCQJ-PHIMTYICSA-N 1 2 379.092 3.526 20 10 GHCDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2O)C1 ZINC000809693715 887669608 /nfs/dbraw/zinc/66/96/08/887669608.db2.gz ZCRMAGQRDKKCQJ-PHIMTYICSA-N 1 2 379.092 3.526 20 10 GHCDLO Oc1cc(F)c(Cl)cc1C[NH2+]C1(c2ncc(Br)cn2)CCC1 ZINC000897351619 870983168 /nfs/dbraw/zinc/98/31/68/870983168.db2.gz MTLAWJYNRBASDP-UHFFFAOYSA-N 1 2 386.652 3.906 20 10 GHCDLO COC(=O)Cc1c[nH]c2[nH+]ccc(NCc3cc(Cl)c4cccnc4c3O)c12 ZINC001168526017 871056848 /nfs/dbraw/zinc/05/68/48/871056848.db2.gz PHYGFCNDLVQCHX-UHFFFAOYSA-N 1 2 396.834 3.798 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)Cc1ccccc1O ZINC001195357794 872347753 /nfs/dbraw/zinc/34/77/53/872347753.db2.gz HQKCJRNDOMILGD-UHFFFAOYSA-N 1 2 393.487 3.760 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)Cc1ccccc1O ZINC001195357794 872347771 /nfs/dbraw/zinc/34/77/71/872347771.db2.gz HQKCJRNDOMILGD-UHFFFAOYSA-N 1 2 393.487 3.760 20 10 GHCDLO Oc1ccc(-c2ccccc2)cc1CNc1cccc(CN2CCOCC2)[nH+]1 ZINC000767422467 872508386 /nfs/dbraw/zinc/50/83/86/872508386.db2.gz RBEMORQTXDUEAM-UHFFFAOYSA-N 1 2 375.472 3.899 20 10 GHCDLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(C)n1-c1cccc(Br)c1 ZINC000857986212 882691481 /nfs/dbraw/zinc/69/14/81/882691481.db2.gz UROOIOCLKNUDLD-KRWDZBQOSA-N 1 2 399.292 3.928 20 10 GHCDLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(C)n1-c1cccc(Br)c1 ZINC000857986213 882691927 /nfs/dbraw/zinc/69/19/27/882691927.db2.gz UROOIOCLKNUDLD-QGZVFWFLSA-N 1 2 399.292 3.928 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCc3c(F)cc(Br)cc3C2)cc1OC ZINC000768463379 873331189 /nfs/dbraw/zinc/33/11/89/873331189.db2.gz HVDXOEZNIOAEGO-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCc3c(F)cc(Br)cc3C2)cc1OC ZINC000768463379 873331207 /nfs/dbraw/zinc/33/12/07/873331207.db2.gz HVDXOEZNIOAEGO-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000769148040 873849027 /nfs/dbraw/zinc/84/90/27/873849027.db2.gz LKKMXHZIMNQCNI-UHFFFAOYSA-N 1 2 375.875 3.503 20 10 GHCDLO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)Cc1cc2c(cc1O)OCO2 ZINC000769466999 874089127 /nfs/dbraw/zinc/08/91/27/874089127.db2.gz QCVKHXGXNDKVPC-UHFFFAOYSA-N 1 2 385.420 3.533 20 10 GHCDLO CSCC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nnc2ccccn21 ZINC000858089476 882835255 /nfs/dbraw/zinc/83/52/55/882835255.db2.gz UKYIOVFEFOXCBI-MRXNPFEDSA-N 1 2 391.491 3.658 20 10 GHCDLO CN(C)c1cc(F)c(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1F ZINC000858100366 882845795 /nfs/dbraw/zinc/84/57/95/882845795.db2.gz FGUHVTFSWLGAPS-UHFFFAOYSA-N 1 2 382.458 3.995 20 10 GHCDLO CCC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000776173845 875691915 /nfs/dbraw/zinc/69/19/15/875691915.db2.gz APRDFZXZARBKRM-ZDUSSCGKSA-N 1 2 381.108 3.558 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000007215878 876591825 /nfs/dbraw/zinc/59/18/25/876591825.db2.gz CMGMLFLLQBHQKY-LJQANCHMSA-N 1 2 394.544 3.816 20 10 GHCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000007215878 876591830 /nfs/dbraw/zinc/59/18/30/876591830.db2.gz CMGMLFLLQBHQKY-LJQANCHMSA-N 1 2 394.544 3.816 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cc(Br)c(F)cc1O ZINC000850501264 876976418 /nfs/dbraw/zinc/97/64/18/876976418.db2.gz LOECYSLEVFONHJ-CQKQYIJZSA-N 1 2 378.307 3.634 20 10 GHCDLO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)c(F)cc1O ZINC000850562569 877027951 /nfs/dbraw/zinc/02/79/51/877027951.db2.gz NYAIXPOXSHJWNV-GTNSWQLSSA-N 1 2 390.293 3.512 20 10 GHCDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(F)cc(C(C)=O)c1O ZINC000175525667 877255710 /nfs/dbraw/zinc/25/57/10/877255710.db2.gz MDQIGEPBULQSAM-UHFFFAOYSA-N 1 2 388.439 3.593 20 10 GHCDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(F)cc(C(C)=O)c1O ZINC000175525667 877255725 /nfs/dbraw/zinc/25/57/25/877255725.db2.gz MDQIGEPBULQSAM-UHFFFAOYSA-N 1 2 388.439 3.593 20 10 GHCDLO COc1cc(C)cc(C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)c1O ZINC000788382171 878045534 /nfs/dbraw/zinc/04/55/34/878045534.db2.gz QLZJCFZGZIVMCO-UHFFFAOYSA-N 1 2 396.512 3.882 20 10 GHCDLO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)c1 ZINC000789773407 879288734 /nfs/dbraw/zinc/28/87/34/879288734.db2.gz IAUXBKJGTHKPAD-UHFFFAOYSA-N 1 2 382.485 3.574 20 10 GHCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(CCc3cccs3)C2=O)c1 ZINC000776726791 879739209 /nfs/dbraw/zinc/73/92/09/879739209.db2.gz NOMOQYJHJDTXEP-GDNBJRDFSA-N 1 2 376.528 3.904 20 10 GHCDLO Cn1c(CC[NH2+]Cc2cccc(Br)c2O)nc2c1cccc2F ZINC000113358700 880522936 /nfs/dbraw/zinc/52/29/36/880522936.db2.gz YQEBUZCKCXAQMI-UHFFFAOYSA-N 1 2 378.245 3.513 20 10 GHCDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)cc1C ZINC001184361338 913147163 /nfs/dbraw/zinc/14/71/63/913147163.db2.gz QQXHVZSLOCWUDT-UHFFFAOYSA-N 1 2 394.471 3.803 20 10 GHCDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)cc1C ZINC001184361338 913147171 /nfs/dbraw/zinc/14/71/71/913147171.db2.gz QQXHVZSLOCWUDT-UHFFFAOYSA-N 1 2 394.471 3.803 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(=O)C(C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000917110525 891275028 /nfs/dbraw/zinc/27/50/28/891275028.db2.gz XCIYQVTWEHSOSO-UHFFFAOYSA-N 1 2 399.510 3.653 20 10 GHCDLO COc1ccc(N2CCC[N@H+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 ZINC000917207959 891575148 /nfs/dbraw/zinc/57/51/48/891575148.db2.gz SEHBEIDQKZURMI-UHFFFAOYSA-N 1 2 398.894 3.710 20 10 GHCDLO COc1ccc(N2CCC[N@@H+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 ZINC000917207959 891575155 /nfs/dbraw/zinc/57/51/55/891575155.db2.gz SEHBEIDQKZURMI-UHFFFAOYSA-N 1 2 398.894 3.710 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc([S@](C)=O)cc1 ZINC000883076164 897256447 /nfs/dbraw/zinc/25/64/47/897256447.db2.gz WDKLORPJNNAGFP-MGUXCZDKSA-N 1 2 386.286 3.882 20 10 GHCDLO O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000028964152 898051687 /nfs/dbraw/zinc/05/16/87/898051687.db2.gz ILTMMKJQCSTKKE-CYVLTUHYSA-N 1 2 398.553 3.763 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000824861004 899842386 /nfs/dbraw/zinc/84/23/86/899842386.db2.gz CUURSYBGOFLHRW-AWEZNQCLSA-N 1 2 379.737 3.907 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000825035463 899946566 /nfs/dbraw/zinc/94/65/66/899946566.db2.gz LWEBNJUEQDTNDQ-RNCFNFMXSA-N 1 2 393.119 3.558 20 10 GHCDLO CCCCN(Cc1ccccc1O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000282918782 900021295 /nfs/dbraw/zinc/02/12/95/900021295.db2.gz YDSOTSJFHRQASO-UHFFFAOYSA-N 1 2 382.508 3.899 20 10 GHCDLO CC(C)(O)C(C)(C)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000825201765 900023415 /nfs/dbraw/zinc/02/34/15/900023415.db2.gz NNVDXYMMDNQEKA-UHFFFAOYSA-N 1 2 395.135 3.804 20 10 GHCDLO Cc1cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c(C)n1-c1cccc(Cl)c1 ZINC001143926768 900735434 /nfs/dbraw/zinc/73/54/34/900735434.db2.gz PXXZJABPDGOQJA-UHFFFAOYSA-N 1 2 389.927 3.588 20 10 GHCDLO Cc1cc(C(=O)NCC[N@H+]2CCOCC2(C)C)c(C)n1-c1cccc(Cl)c1 ZINC001143926768 900735442 /nfs/dbraw/zinc/73/54/42/900735442.db2.gz PXXZJABPDGOQJA-UHFFFAOYSA-N 1 2 389.927 3.588 20 10 GHCDLO Fc1ccc2n[nH]c(C[NH+]3CCN(c4ccc(OC(F)(F)F)cc4)CC3)c2c1 ZINC001144205836 901285508 /nfs/dbraw/zinc/28/55/08/901285508.db2.gz NFARMAGABFQLKI-UHFFFAOYSA-N 1 2 394.372 3.923 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001144299620 901648937 /nfs/dbraw/zinc/64/89/37/901648937.db2.gz CNZQSGCWCYHKLU-UHFFFAOYSA-N 1 2 381.245 3.732 20 10 GHCDLO Oc1cc(F)c(Br)cc1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001144308830 901703356 /nfs/dbraw/zinc/70/33/56/901703356.db2.gz ZBDLJHVCHFWOIN-OAHLLOKOSA-N 1 2 393.247 3.599 20 10 GHCDLO Cc1ccc(NCc2cc(Br)ccc2O)c(C[NH+]2CCOCC2)c1 ZINC001171175918 902092590 /nfs/dbraw/zinc/09/25/90/902092590.db2.gz GWQXWKSWQNVPHS-UHFFFAOYSA-N 1 2 391.309 3.907 20 10 GHCDLO C[C@@H](COCC1CC1)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000846073342 902647091 /nfs/dbraw/zinc/64/70/91/902647091.db2.gz LMSBWBJTLWGANK-VIFPVBQESA-N 1 2 393.119 3.822 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)c(F)cc1O ZINC000846216582 902793040 /nfs/dbraw/zinc/79/30/40/902793040.db2.gz SJBCVVVWRVNFOM-MEBBXXQBSA-N 1 2 395.272 3.721 20 10 GHCDLO CCS[C@H](C)c1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000137266394 903853559 /nfs/dbraw/zinc/85/35/59/903853559.db2.gz XBEHZMUMKIHOGB-ZBFHGGJFSA-N 1 2 377.510 3.771 20 10 GHCDLO CCS[C@H](C)c1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000137266394 903853565 /nfs/dbraw/zinc/85/35/65/903853565.db2.gz XBEHZMUMKIHOGB-ZBFHGGJFSA-N 1 2 377.510 3.771 20 10 GHCDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000159839771 904202722 /nfs/dbraw/zinc/20/27/22/904202722.db2.gz QCFYCJLOORIRLO-AWEZNQCLSA-N 1 2 396.607 3.775 20 10 GHCDLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(N(C)C)cc1 ZINC000773198353 904555598 /nfs/dbraw/zinc/55/55/98/904555598.db2.gz FIIKMCJQUODTSB-KRWDZBQOSA-N 1 2 381.524 3.698 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2COc3cccc(OC)c3C2)C1 ZINC001173160497 906247327 /nfs/dbraw/zinc/24/73/27/906247327.db2.gz JISLIUKGGJOGDR-OAHLLOKOSA-N 1 2 378.472 3.557 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@H]2COc3cccc(OC)c3C2)C1 ZINC001173160497 906247339 /nfs/dbraw/zinc/24/73/39/906247339.db2.gz JISLIUKGGJOGDR-OAHLLOKOSA-N 1 2 378.472 3.557 20 10 GHCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001177911226 908798522 /nfs/dbraw/zinc/79/85/22/908798522.db2.gz HLKBQPUKUHNVGB-LPHOPBHVSA-N 1 2 395.330 3.672 20 10 GHCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001177911226 908798531 /nfs/dbraw/zinc/79/85/31/908798531.db2.gz HLKBQPUKUHNVGB-LPHOPBHVSA-N 1 2 395.330 3.672 20 10 GHCDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cccc(Cl)c2O)CC1 ZINC000292715491 915811880 /nfs/dbraw/zinc/81/18/80/915811880.db2.gz DQDDBUBOCVGQGZ-UHFFFAOYSA-N 1 2 379.913 3.515 20 10 GHCDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cccc(Cl)c2O)CC1 ZINC000292715491 915811887 /nfs/dbraw/zinc/81/18/87/915811887.db2.gz DQDDBUBOCVGQGZ-UHFFFAOYSA-N 1 2 379.913 3.515 20 10 GHCDLO CCS[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775254121 916652877 /nfs/dbraw/zinc/65/28/77/916652877.db2.gz HCRWNGVCPFUJNQ-HUUCEWRRSA-N 1 2 376.526 3.571 20 10 GHCDLO Cc1ccccc1Cc1noc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775255722 916664469 /nfs/dbraw/zinc/66/44/69/916664469.db2.gz OXVSHPWAEYRZQY-SFHVURJKSA-N 1 2 392.503 3.656 20 10 GHCDLO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001202797246 919577343 /nfs/dbraw/zinc/57/73/43/919577343.db2.gz FXEHSDOBCSIBGQ-CHWSQXEVSA-N 1 2 393.119 3.964 20 10 GHCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800707795 920380798 /nfs/dbraw/zinc/38/07/98/920380798.db2.gz VFKHIBFSXLHRDE-LJQANCHMSA-N 1 2 395.551 3.683 20 10 GHCDLO COc1ccc2c(c1)OCC[N@@H+](Cc1cc(Br)cc(OC)c1O)C2 ZINC000802658975 922317945 /nfs/dbraw/zinc/31/79/45/922317945.db2.gz BMSFZUSQFWOYEX-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO COc1ccc2c(c1)OCC[N@H+](Cc1cc(Br)cc(OC)c1O)C2 ZINC000802658975 922317953 /nfs/dbraw/zinc/31/79/53/922317953.db2.gz BMSFZUSQFWOYEX-UHFFFAOYSA-N 1 2 394.265 3.567 20 10 GHCDLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1cc(Br)cc(Br)c1O ZINC000903350679 922950042 /nfs/dbraw/zinc/95/00/42/922950042.db2.gz DJOXDLZUFASLDP-MRVPVSSYSA-N 1 2 389.091 3.502 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000750047285 927404097 /nfs/dbraw/zinc/40/40/97/927404097.db2.gz MKKNSOROBBBEFJ-PXAZEXFGSA-N 1 2 396.915 3.983 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000750047285 927404104 /nfs/dbraw/zinc/40/41/04/927404104.db2.gz MKKNSOROBBBEFJ-PXAZEXFGSA-N 1 2 396.915 3.983 20 10 GHCDLO CCOCCO[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000750262191 927524566 /nfs/dbraw/zinc/52/45/66/927524566.db2.gz KDDGFZDSXRVLDM-FQEVSTJZSA-N 1 2 388.483 3.543 20 10 GHCDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000750262191 927524568 /nfs/dbraw/zinc/52/45/68/927524568.db2.gz KDDGFZDSXRVLDM-FQEVSTJZSA-N 1 2 388.483 3.543 20 10 GHCDLO Cc1cccn2cc(CC(=O)Nc3c(-c4ccccn4)nc4ccccn43)[nH+]c12 ZINC000751301366 928117927 /nfs/dbraw/zinc/11/79/27/928117927.db2.gz CXYAPUAFILVFGZ-UHFFFAOYSA-N 1 2 382.427 3.534 20 10 GHCDLO Cc1cc(Br)c(O)c(CN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000781893955 931015760 /nfs/dbraw/zinc/01/57/60/931015760.db2.gz AKYAHSIBKDAAAR-UHFFFAOYSA-N 1 2 381.339 3.842 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC001118874314 934273561 /nfs/dbraw/zinc/27/35/61/934273561.db2.gz XRGVGPRHEWEWLS-SFHVURJKSA-N 1 2 376.460 3.650 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137835867 935815364 /nfs/dbraw/zinc/81/53/64/935815364.db2.gz QKHBSPSWOUKDPS-UHFFFAOYSA-N 1 2 378.451 3.652 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137835867 935815366 /nfs/dbraw/zinc/81/53/66/935815366.db2.gz QKHBSPSWOUKDPS-UHFFFAOYSA-N 1 2 378.451 3.652 20 10 GHCDLO Oc1cccc(F)c1C[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC001137837900 935816547 /nfs/dbraw/zinc/81/65/47/935816547.db2.gz YJWRWFXRZWJGHH-UHFFFAOYSA-N 1 2 379.273 3.612 20 10 GHCDLO Oc1cccc(F)c1C[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001137838654 935817581 /nfs/dbraw/zinc/81/75/81/935817581.db2.gz GAJXDHKCVNNQRJ-UHFFFAOYSA-N 1 2 376.229 3.541 20 10 GHCDLO O=C1CCCCN1CC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001204306700 1032748268 /nfs/dbraw/zinc/74/82/68/1032748268.db2.gz JVTPJNVPXGHFSG-UHFFFAOYSA-N 1 2 399.304 3.518 20 10 GHCDLO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(Br)cc(Br)c1O ZINC000834906304 1021662004 /nfs/dbraw/zinc/66/20/04/1021662004.db2.gz OOZWRESEQDDBMY-ISVAXAHUSA-N 1 2 393.119 3.729 20 10 GHCDLO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Br)cc(F)c1O ZINC000834896775 1021639338 /nfs/dbraw/zinc/63/93/38/1021639338.db2.gz CRVWGNUTJKYREX-KANYHAFZSA-N 1 2 398.276 3.598 20 10 GHCDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4c(O)cc(F)cc4F)C[C@H]3O2)n1 ZINC001140580982 1022001140 /nfs/dbraw/zinc/00/11/40/1022001140.db2.gz JNAMRQVVYFBYSQ-QTJFZDIUSA-N 1 2 389.446 3.936 20 10 GHCDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4c(O)cc(F)cc4F)C[C@H]3O2)n1 ZINC001140580982 1022001149 /nfs/dbraw/zinc/00/11/49/1022001149.db2.gz JNAMRQVVYFBYSQ-QTJFZDIUSA-N 1 2 389.446 3.936 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140585359 1022010358 /nfs/dbraw/zinc/01/03/58/1022010358.db2.gz GPWCUWSCJAPEJW-NSHDSACASA-N 1 2 389.324 3.523 20 10 GHCDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140585359 1022010377 /nfs/dbraw/zinc/01/03/77/1022010377.db2.gz GPWCUWSCJAPEJW-NSHDSACASA-N 1 2 389.324 3.523 20 10 GHCDLO C[C@@]1(c2ccc(F)cc2)C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCO1 ZINC001140664130 1022205791 /nfs/dbraw/zinc/20/57/91/1022205791.db2.gz ZMXPAZAMUMOFPT-QFIPXVFZSA-N 1 2 388.458 3.549 20 10 GHCDLO C[C@@]1(c2ccc(F)cc2)C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CCO1 ZINC001140664130 1022205809 /nfs/dbraw/zinc/20/58/09/1022205809.db2.gz ZMXPAZAMUMOFPT-QFIPXVFZSA-N 1 2 388.458 3.549 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)cc3Br)CC2)cc1 ZINC001140758521 1022453326 /nfs/dbraw/zinc/45/33/26/1022453326.db2.gz CSXOSZZRQLSSLO-UHFFFAOYSA-N 1 2 391.309 3.789 20 10 GHCDLO C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1cc(F)cc(F)c1O ZINC000756474816 1023674529 /nfs/dbraw/zinc/67/45/29/1023674529.db2.gz JAAHMXIHZAAKND-ORAYPTAESA-N 1 2 380.410 3.534 20 10 GHCDLO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000756495806 1023684927 /nfs/dbraw/zinc/68/49/27/1023684927.db2.gz BHBCBVMXGOTNIY-GXSJLCMTSA-N 1 2 395.135 3.975 20 10 GHCDLO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756610240 1023737243 /nfs/dbraw/zinc/73/72/43/1023737243.db2.gz TYKOUEMUWKWQPB-HOTGVXAUSA-N 1 2 375.463 3.532 20 10 GHCDLO COc1cc(CN2CC[C@@H]([NH2+][C@H](C)c3cc(F)cc(F)c3O)C2)cc(OC)c1 ZINC000756647956 1023752746 /nfs/dbraw/zinc/75/27/46/1023752746.db2.gz UHOSWTYWFLZKAU-CZUORRHYSA-N 1 2 392.446 3.613 20 10 GHCDLO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756713182 1023784677 /nfs/dbraw/zinc/78/46/77/1023784677.db2.gz VWKWQEAQEYGLMG-MEBBXXQBSA-N 1 2 384.245 3.687 20 10 GHCDLO Oc1c(F)cccc1C[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001138129475 1024179402 /nfs/dbraw/zinc/17/94/02/1024179402.db2.gz FSZBSQOXIZEIQQ-UHFFFAOYSA-N 1 2 384.373 3.748 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2CCn3cnc(COCC4CC4)c3C2)c(OC)c1 ZINC001138387177 1024759722 /nfs/dbraw/zinc/75/97/22/1024759722.db2.gz AIBKOESIAXYXTE-UHFFFAOYSA-N 1 2 398.551 3.680 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2CCn3cnc(COCC4CC4)c3C2)c(OC)c1 ZINC001138387177 1024759740 /nfs/dbraw/zinc/75/97/40/1024759740.db2.gz AIBKOESIAXYXTE-UHFFFAOYSA-N 1 2 398.551 3.680 20 10 GHCDLO Fc1ncccc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001138791710 1025366400 /nfs/dbraw/zinc/36/64/00/1025366400.db2.gz OYNIHWSPYYPCAQ-UHFFFAOYSA-N 1 2 378.451 3.517 20 10 GHCDLO COc1cc(C[N@@H+]2CCc3cccc(O)c3C2)c(OC)cc1Br ZINC001138917840 1025580364 /nfs/dbraw/zinc/58/03/64/1025580364.db2.gz NURSEIQFHXVSBB-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1cc(C[N@H+]2CCc3cccc(O)c3C2)c(OC)cc1Br ZINC001138917840 1025580369 /nfs/dbraw/zinc/58/03/69/1025580369.db2.gz NURSEIQFHXVSBB-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC001461093207 1069385605 /nfs/dbraw/zinc/38/56/05/1069385605.db2.gz OJNUUWWEZQOFJC-UHFFFAOYSA-N 1 2 394.219 3.908 20 10 GHCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1nc2c(cc1=O)Cc1ccccc1-2 ZINC000839967431 1026380048 /nfs/dbraw/zinc/38/00/48/1026380048.db2.gz GTEVVQRVWFPCBB-UHFFFAOYSA-N 1 2 388.515 3.749 20 10 GHCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1nc2c(cc1=O)Cc1ccccc1-2 ZINC000839967431 1026380060 /nfs/dbraw/zinc/38/00/60/1026380060.db2.gz GTEVVQRVWFPCBB-UHFFFAOYSA-N 1 2 388.515 3.749 20 10 GHCDLO COc1cc(OC)c(C[N@@H+]2CCc3cccc(O)c3C2)cc1Br ZINC001139864226 1026678063 /nfs/dbraw/zinc/67/80/63/1026678063.db2.gz KUAIFWSBSJBWDA-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1cc(OC)c(C[N@H+]2CCc3cccc(O)c3C2)cc1Br ZINC001139864226 1026678068 /nfs/dbraw/zinc/67/80/68/1026678068.db2.gz KUAIFWSBSJBWDA-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO CC(=O)c1ccc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)cc1 ZINC001140101555 1026880646 /nfs/dbraw/zinc/88/06/46/1026880646.db2.gz XTHDCICMKLWRCS-UHFFFAOYSA-N 1 2 389.293 3.680 20 10 GHCDLO Cc1cc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001166151334 1026929115 /nfs/dbraw/zinc/92/91/15/1026929115.db2.gz IRNDPVSEBKOWBR-JKSUJKDBSA-N 1 2 389.927 3.587 20 10 GHCDLO Cc1cc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001166151334 1026929117 /nfs/dbraw/zinc/92/91/17/1026929117.db2.gz IRNDPVSEBKOWBR-JKSUJKDBSA-N 1 2 389.927 3.587 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C1 ZINC001166818916 1027094745 /nfs/dbraw/zinc/09/47/45/1027094745.db2.gz YOCCCQJTZIFUBL-INIZCTEOSA-N 1 2 391.519 3.776 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)C1 ZINC001166818916 1027094757 /nfs/dbraw/zinc/09/47/57/1027094757.db2.gz YOCCCQJTZIFUBL-INIZCTEOSA-N 1 2 391.519 3.776 20 10 GHCDLO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203565272 1027436229 /nfs/dbraw/zinc/43/62/29/1027436229.db2.gz YRMIIYUICCNRHO-NXEZZACHSA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC001203565272 1027436231 /nfs/dbraw/zinc/43/62/31/1027436231.db2.gz YRMIIYUICCNRHO-NXEZZACHSA-N 1 2 393.119 3.510 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001203656503 1027512307 /nfs/dbraw/zinc/51/23/07/1027512307.db2.gz QFFPFQRSUCFYIN-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001203656503 1027512318 /nfs/dbraw/zinc/51/23/18/1027512318.db2.gz QFFPFQRSUCFYIN-INIZCTEOSA-N 1 2 375.900 3.788 20 10 GHCDLO C[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1Br ZINC001461466689 1069562148 /nfs/dbraw/zinc/56/21/48/1069562148.db2.gz XOXJZVIIYBPNAQ-INIZCTEOSA-N 1 2 388.664 3.945 20 10 GHCDLO Cc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2cc(F)c(F)cc2O)CCO3)c1 ZINC001142517343 1029021544 /nfs/dbraw/zinc/02/15/44/1029021544.db2.gz JXIMBADRTPLIJK-JOCHJYFZSA-N 1 2 388.458 3.850 20 10 GHCDLO Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cc(F)c(F)cc2O)CCO3)c1 ZINC001142517343 1029021557 /nfs/dbraw/zinc/02/15/57/1029021557.db2.gz JXIMBADRTPLIJK-JOCHJYFZSA-N 1 2 388.458 3.850 20 10 GHCDLO [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001142521112 1029023490 /nfs/dbraw/zinc/02/34/90/1029023490.db2.gz XZMGAQHUMHVIJJ-UHFFFAOYSA-N 1 2 388.458 3.537 20 10 GHCDLO [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001142521112 1029023507 /nfs/dbraw/zinc/02/35/07/1029023507.db2.gz XZMGAQHUMHVIJJ-UHFFFAOYSA-N 1 2 388.458 3.537 20 10 GHCDLO COCC1(CC[NH2+]Cc2cc(Br)cc(Br)c2O)CC1 ZINC000843418328 1029991545 /nfs/dbraw/zinc/99/15/45/1029991545.db2.gz BYHVWDJWSHAUIX-UHFFFAOYSA-N 1 2 393.119 3.824 20 10 GHCDLO Oc1ccc(-c2nc(-c3ccc(Cl)c(F)c3)no2)cc1C[NH+]1CCOCC1 ZINC001217055054 1030127114 /nfs/dbraw/zinc/12/71/14/1030127114.db2.gz OYMXBRYUJJFENP-UHFFFAOYSA-N 1 2 389.814 3.734 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224263012 1030947177 /nfs/dbraw/zinc/94/71/77/1030947177.db2.gz NMWMVQCPNNWDQW-WFASDCNBSA-N 1 2 377.257 3.935 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224263012 1030947186 /nfs/dbraw/zinc/94/71/86/1030947186.db2.gz NMWMVQCPNNWDQW-WFASDCNBSA-N 1 2 377.257 3.935 20 10 GHCDLO OCC[N@H+](Cc1cc(F)c(F)cc1O)Cc1cc(Br)ccc1F ZINC001461848148 1069789219 /nfs/dbraw/zinc/78/92/19/1069789219.db2.gz FFEQRAZKVBRVLA-UHFFFAOYSA-N 1 2 390.199 3.567 20 10 GHCDLO OCC[N@@H+](Cc1cc(F)c(F)cc1O)Cc1cc(Br)ccc1F ZINC001461848148 1069789229 /nfs/dbraw/zinc/78/92/29/1069789229.db2.gz FFEQRAZKVBRVLA-UHFFFAOYSA-N 1 2 390.199 3.567 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387571 1033481907 /nfs/dbraw/zinc/48/19/07/1033481907.db2.gz KJZKVWRGHBEFOY-INIZCTEOSA-N 1 2 394.796 3.562 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387571 1033481913 /nfs/dbraw/zinc/48/19/13/1033481913.db2.gz KJZKVWRGHBEFOY-INIZCTEOSA-N 1 2 394.796 3.562 20 10 GHCDLO COc1cc(Cl)cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1O ZINC001205600587 1033487460 /nfs/dbraw/zinc/48/74/60/1033487460.db2.gz MNORSKMLIIXNSO-BETUJISGSA-N 1 2 377.872 3.675 20 10 GHCDLO Cc1cc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)n(C)n1 ZINC001205940918 1033646145 /nfs/dbraw/zinc/64/61/45/1033646145.db2.gz DFQJRIRZHWGYGY-UHFFFAOYSA-N 1 2 376.504 3.630 20 10 GHCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ncc(Br)cc1O ZINC001206328271 1033797549 /nfs/dbraw/zinc/79/75/49/1033797549.db2.gz IJIHPLZKKUSZQQ-CYBMUJFWSA-N 1 2 378.314 3.645 20 10 GHCDLO CC(C)=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277505781 1034511034 /nfs/dbraw/zinc/51/10/34/1034511034.db2.gz CIZAEPWJKSKEPD-MRXNPFEDSA-N 1 2 380.891 3.869 20 10 GHCDLO CC[C@H]1C[N@H+](Cc2cc(Cl)c(OC)cc2O)CCN1C(=O)OC(C)(C)C ZINC001232269497 1037992021 /nfs/dbraw/zinc/99/20/21/1037992021.db2.gz CDNWQWBRWNKLFC-AWEZNQCLSA-N 1 2 384.904 3.886 20 10 GHCDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)c(OC)cc2O)CCN1C(=O)OC(C)(C)C ZINC001232269497 1037992029 /nfs/dbraw/zinc/99/20/29/1037992029.db2.gz CDNWQWBRWNKLFC-AWEZNQCLSA-N 1 2 384.904 3.886 20 10 GHCDLO CCCOC1C[NH+](Cc2cc(-c3nc(C)c(C(=O)OCC)s3)ccc2O)C1 ZINC001232451368 1038235098 /nfs/dbraw/zinc/23/50/98/1038235098.db2.gz CPZRJWVIEQDPRD-UHFFFAOYSA-N 1 2 390.505 3.612 20 10 GHCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3CCC(=O)C[C@H]3C)c2)nc1C ZINC001232452680 1038236291 /nfs/dbraw/zinc/23/62/91/1038236291.db2.gz ZCHRKSDTJSGXRI-GFCCVEGCSA-N 1 2 388.489 3.554 20 10 GHCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3CCC(=O)C[C@H]3C)c2)nc1C ZINC001232452680 1038236300 /nfs/dbraw/zinc/23/63/00/1038236300.db2.gz ZCHRKSDTJSGXRI-GFCCVEGCSA-N 1 2 388.489 3.554 20 10 GHCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC001233334429 1039134086 /nfs/dbraw/zinc/13/40/86/1039134086.db2.gz GJTGRZWUZQKSQC-UHFFFAOYSA-N 1 2 397.263 3.751 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255913561 1041396508 /nfs/dbraw/zinc/39/65/08/1041396508.db2.gz BWRHCMRKMDQNSF-MRXNPFEDSA-N 1 2 399.535 3.945 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255913561 1041396520 /nfs/dbraw/zinc/39/65/20/1041396520.db2.gz BWRHCMRKMDQNSF-MRXNPFEDSA-N 1 2 399.535 3.945 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255913361 1041397413 /nfs/dbraw/zinc/39/74/13/1041397413.db2.gz BWRHCMRKMDQNSF-INIZCTEOSA-N 1 2 399.535 3.945 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255913361 1041397440 /nfs/dbraw/zinc/39/74/40/1041397440.db2.gz BWRHCMRKMDQNSF-INIZCTEOSA-N 1 2 399.535 3.945 20 10 GHCDLO COc1cccc(I)c1C[N@H+](C)Cc1ccccc1O ZINC001236593003 1041771144 /nfs/dbraw/zinc/77/11/44/1041771144.db2.gz VBFNUQMAPPTLKP-UHFFFAOYSA-N 1 2 383.229 3.637 20 10 GHCDLO COc1cccc(I)c1C[N@@H+](C)Cc1ccccc1O ZINC001236593003 1041771147 /nfs/dbraw/zinc/77/11/47/1041771147.db2.gz VBFNUQMAPPTLKP-UHFFFAOYSA-N 1 2 383.229 3.637 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC001236668426 1041814274 /nfs/dbraw/zinc/81/42/74/1041814274.db2.gz DILNYCQVIUCJGE-KRWDZBQOSA-N 1 2 376.294 3.907 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC001236668426 1041814278 /nfs/dbraw/zinc/81/42/78/1041814278.db2.gz DILNYCQVIUCJGE-KRWDZBQOSA-N 1 2 376.294 3.907 20 10 GHCDLO O=C1N(CC(F)F)CC[C@]12CCC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277996143 1041821153 /nfs/dbraw/zinc/82/11/53/1041821153.db2.gz TXWGPOXQTZAGBE-MRXNPFEDSA-N 1 2 379.234 3.531 20 10 GHCDLO O=C1N(CC(F)F)CC[C@]12CCC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277996143 1041821156 /nfs/dbraw/zinc/82/11/56/1041821156.db2.gz TXWGPOXQTZAGBE-MRXNPFEDSA-N 1 2 379.234 3.531 20 10 GHCDLO O=C(c1ccco1)N1CC[C@H]2C[N@@H+](Cc3cc(Cl)c(Cl)cc3O)C[C@H]21 ZINC001236792008 1041896953 /nfs/dbraw/zinc/89/69/53/1041896953.db2.gz DQTMXSFYQHZWIO-XHDPSFHLSA-N 1 2 381.259 3.639 20 10 GHCDLO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c(O)c1Cl ZINC001236801677 1041903914 /nfs/dbraw/zinc/90/39/14/1041903914.db2.gz LHVQNMFDPUFCJW-ZDUSSCGKSA-N 1 2 384.904 3.743 20 10 GHCDLO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c(O)c1Cl ZINC001236801677 1041903918 /nfs/dbraw/zinc/90/39/18/1041903918.db2.gz LHVQNMFDPUFCJW-ZDUSSCGKSA-N 1 2 384.904 3.743 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c(O)c1Cl ZINC001236803615 1041905574 /nfs/dbraw/zinc/90/55/74/1041905574.db2.gz INZKLVFSTVXDFY-HIFRSBDPSA-N 1 2 393.940 3.607 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c(O)c1Cl ZINC001236803615 1041905577 /nfs/dbraw/zinc/90/55/77/1041905577.db2.gz INZKLVFSTVXDFY-HIFRSBDPSA-N 1 2 393.940 3.607 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c(O)c1Cl ZINC001236803618 1041905604 /nfs/dbraw/zinc/90/56/04/1041905604.db2.gz INZKLVFSTVXDFY-UKRRQHHQSA-N 1 2 393.940 3.607 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c(O)c1Cl ZINC001236803618 1041905607 /nfs/dbraw/zinc/90/56/07/1041905607.db2.gz INZKLVFSTVXDFY-UKRRQHHQSA-N 1 2 393.940 3.607 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1)N1CCCCC1 ZINC001236804453 1041906383 /nfs/dbraw/zinc/90/63/83/1041906383.db2.gz UBDWKBHCBYLSET-UHFFFAOYSA-N 1 2 386.323 3.859 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236808351 1041908925 /nfs/dbraw/zinc/90/89/25/1041908925.db2.gz XIWQJSVRQMGTGD-JSGCOSHPSA-N 1 2 384.904 3.789 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236808351 1041908930 /nfs/dbraw/zinc/90/89/30/1041908930.db2.gz XIWQJSVRQMGTGD-JSGCOSHPSA-N 1 2 384.904 3.789 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c(O)c1Cl ZINC001236810868 1041911418 /nfs/dbraw/zinc/91/14/18/1041911418.db2.gz ZORMMWFOTDEGNH-MRXNPFEDSA-N 1 2 392.858 3.588 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c(O)c1Cl ZINC001236810868 1041911420 /nfs/dbraw/zinc/91/14/20/1041911420.db2.gz ZORMMWFOTDEGNH-MRXNPFEDSA-N 1 2 392.858 3.588 20 10 GHCDLO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278043676 1041998374 /nfs/dbraw/zinc/99/83/74/1041998374.db2.gz MWXUWWGQRBFNBJ-KPZWWZAWSA-N 1 2 399.304 3.517 20 10 GHCDLO CC[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278043676 1041998375 /nfs/dbraw/zinc/99/83/75/1041998375.db2.gz MWXUWWGQRBFNBJ-KPZWWZAWSA-N 1 2 399.304 3.517 20 10 GHCDLO CCCCN1CC[C@@]2(CC[N@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278045719 1042007552 /nfs/dbraw/zinc/00/75/52/1042007552.db2.gz PXMDKYCCHAAWJA-GOSISDBHSA-N 1 2 399.304 3.518 20 10 GHCDLO CCCCN1CC[C@@]2(CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)C1=O ZINC001278045719 1042007560 /nfs/dbraw/zinc/00/75/60/1042007560.db2.gz PXMDKYCCHAAWJA-GOSISDBHSA-N 1 2 399.304 3.518 20 10 GHCDLO Oc1cc(OCC(F)(F)F)ccc1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001237061734 1042016501 /nfs/dbraw/zinc/01/65/01/1042016501.db2.gz HFGMGVPMEVHCSE-INIZCTEOSA-N 1 2 394.384 3.639 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cnn(CC)c21 ZINC001237113384 1042045590 /nfs/dbraw/zinc/04/55/90/1042045590.db2.gz VYWLQKSQICMWHL-AWEZNQCLSA-N 1 2 399.413 3.643 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cnn(CC)c21 ZINC001237113384 1042045595 /nfs/dbraw/zinc/04/55/95/1042045595.db2.gz VYWLQKSQICMWHL-AWEZNQCLSA-N 1 2 399.413 3.643 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237618771 1042285466 /nfs/dbraw/zinc/28/54/66/1042285466.db2.gz KUSHINBSVRGWLT-OXJNMPFZSA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237618771 1042285469 /nfs/dbraw/zinc/28/54/69/1042285469.db2.gz KUSHINBSVRGWLT-OXJNMPFZSA-N 1 2 392.858 3.782 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237619455 1042286334 /nfs/dbraw/zinc/28/63/34/1042286334.db2.gz QGVKPXNHOYRHIV-GOSISDBHSA-N 1 2 380.872 3.875 20 10 GHCDLO O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237619455 1042286338 /nfs/dbraw/zinc/28/63/38/1042286338.db2.gz QGVKPXNHOYRHIV-GOSISDBHSA-N 1 2 380.872 3.875 20 10 GHCDLO O=C1C[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1cccc(F)c1 ZINC001237813869 1042382095 /nfs/dbraw/zinc/38/20/95/1042382095.db2.gz NKWDSVUCLWRMMV-FQEVSTJZSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1C[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1cccc(F)c1 ZINC001237813869 1042382097 /nfs/dbraw/zinc/38/20/97/1042382097.db2.gz NKWDSVUCLWRMMV-FQEVSTJZSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3cc(F)c(Cl)cc3O)[C@H]2C1 ZINC001237936772 1042428161 /nfs/dbraw/zinc/42/81/61/1042428161.db2.gz MJQYVHSOIKGESN-WBMJQRKESA-N 1 2 378.831 3.514 20 10 GHCDLO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3cc(F)c(Cl)cc3O)[C@H]2C1 ZINC001237936772 1042428163 /nfs/dbraw/zinc/42/81/63/1042428163.db2.gz MJQYVHSOIKGESN-WBMJQRKESA-N 1 2 378.831 3.514 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001291710591 1043410977 /nfs/dbraw/zinc/41/09/77/1043410977.db2.gz JFFZQEIFYBMVNW-UHFFFAOYSA-N 1 2 376.504 3.637 20 10 GHCDLO CN(c1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)cc1)C1CCCCC1 ZINC001292258427 1043651733 /nfs/dbraw/zinc/65/17/33/1043651733.db2.gz TTZNWKLVKXOJAL-QFIPXVFZSA-N 1 2 395.551 3.875 20 10 GHCDLO CN(c1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)cc1)C1CCCCC1 ZINC001292258427 1043651737 /nfs/dbraw/zinc/65/17/37/1043651737.db2.gz TTZNWKLVKXOJAL-QFIPXVFZSA-N 1 2 395.551 3.875 20 10 GHCDLO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001307712672 1049527713 /nfs/dbraw/zinc/52/77/13/1049527713.db2.gz JSOLNZQWGXCUTA-AUUYWEPGSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001307712672 1049527722 /nfs/dbraw/zinc/52/77/22/1049527722.db2.gz JSOLNZQWGXCUTA-AUUYWEPGSA-N 1 2 376.456 3.521 20 10 GHCDLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC001307745724 1049557347 /nfs/dbraw/zinc/55/73/47/1049557347.db2.gz FGHFIIUNQFUYPL-KRWDZBQOSA-N 1 2 380.460 3.567 20 10 GHCDLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC001307745724 1049557357 /nfs/dbraw/zinc/55/73/57/1049557357.db2.gz FGHFIIUNQFUYPL-KRWDZBQOSA-N 1 2 380.460 3.567 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC001308180360 1049903042 /nfs/dbraw/zinc/90/30/42/1049903042.db2.gz MPIDBKZYZCWDNY-UHFFFAOYSA-N 1 2 390.256 3.828 20 10 GHCDLO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001308330652 1049950624 /nfs/dbraw/zinc/95/06/24/1049950624.db2.gz NHGRXBYNJVSRSZ-KRWDZBQOSA-N 1 2 376.859 3.508 20 10 GHCDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(Br)cc(F)c1O ZINC001308752723 1050082216 /nfs/dbraw/zinc/08/22/16/1050082216.db2.gz ZVUWCWIDRFWZRB-UHFFFAOYSA-N 1 2 387.293 3.518 20 10 GHCDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(Br)cc(F)c1O ZINC001308752723 1050082222 /nfs/dbraw/zinc/08/22/22/1050082222.db2.gz ZVUWCWIDRFWZRB-UHFFFAOYSA-N 1 2 387.293 3.518 20 10 GHCDLO Cc1cc(CCNC(=O)NCCCNc2cccc[nH+]2)c(C)n1-c1ccccc1 ZINC001311447825 1052159042 /nfs/dbraw/zinc/15/90/42/1052159042.db2.gz LYNCEDLLJMNTOG-UHFFFAOYSA-N 1 2 391.519 3.833 20 10 GHCDLO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(OCC)cc3)CC2)cc1 ZINC001459797026 1064221560 /nfs/dbraw/zinc/22/15/60/1064221560.db2.gz NDVPCPHHLPWQNL-SFHVURJKSA-N 1 2 397.519 3.633 20 10 GHCDLO O=C(NCc1cc(Cl)ccc1O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001465594059 1065735316 /nfs/dbraw/zinc/73/53/16/1065735316.db2.gz QIPFKMBFBWAIQL-UHFFFAOYSA-N 1 2 386.839 3.643 20 10 GHCDLO Cc1cc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)n1-c1ccccc1 ZINC001471034895 1072894782 /nfs/dbraw/zinc/89/47/82/1072894782.db2.gz PONSEBHWQJNBDU-UHFFFAOYSA-N 1 2 389.503 3.521 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cnc(CC(F)(F)F)s3)CC2)cc1F ZINC001474331109 1074345861 /nfs/dbraw/zinc/34/58/61/1074345861.db2.gz PJTAUJHWISFTSD-UHFFFAOYSA-N 1 2 389.418 3.718 20 10 GHCDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)c(O)c1OC ZINC001474452218 1074412610 /nfs/dbraw/zinc/41/26/10/1074412610.db2.gz KOQJAIUPEYNJRC-KRWDZBQOSA-N 1 2 381.831 3.775 20 10 GHCDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)c(O)c1OC ZINC001474452218 1074412615 /nfs/dbraw/zinc/41/26/15/1074412615.db2.gz KOQJAIUPEYNJRC-KRWDZBQOSA-N 1 2 381.831 3.775 20 10 GHCDLO C[C@H](c1nc2ccccc2s1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000023849078 841487165 /nfs/dbraw/zinc/48/71/65/841487165.db2.gz FRTRZYUQMVNPOA-CQSZACIVSA-N 1 2 397.500 3.609 20 10 GHCDLO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(C)n1-c1ccccc1C ZINC000732127550 862079789 /nfs/dbraw/zinc/07/97/89/862079789.db2.gz KHARYZVHLYWAOZ-NRFANRHFSA-N 1 2 395.547 3.729 20 10 GHCDLO C[N@H+](CCN1CCCC1=O)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000732984826 862637296 /nfs/dbraw/zinc/63/72/96/862637296.db2.gz GLEBTVZMFWNAFO-UHFFFAOYSA-N 1 2 379.464 3.595 20 10 GHCDLO C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000732984826 862637310 /nfs/dbraw/zinc/63/73/10/862637310.db2.gz GLEBTVZMFWNAFO-UHFFFAOYSA-N 1 2 379.464 3.595 20 10 GHCDLO Cc1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)nc2ccccc12 ZINC000765638351 860372672 /nfs/dbraw/zinc/37/26/72/860372672.db2.gz LNEMQAMBOXSGIO-OAHLLOKOSA-N 1 2 380.467 3.765 20 10 GHCDLO Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)c(C)n1-c1ccc(Br)cc1 ZINC000733982622 863899316 /nfs/dbraw/zinc/89/93/16/863899316.db2.gz DZDSAXKCMJCEAE-UHFFFAOYSA-N 1 2 399.292 3.750 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000920258585 881959552 /nfs/dbraw/zinc/95/95/52/881959552.db2.gz QUVFKPAOBNBYNQ-UHFFFAOYSA-N 1 2 391.437 3.729 20 10 GHCDLO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)[C@H](C)O1 ZINC000840963991 867056403 /nfs/dbraw/zinc/05/64/03/867056403.db2.gz PZCYUVBKVXGUHI-UTLUCORTSA-N 1 2 393.119 3.820 20 10 GHCDLO OC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1OC(F)(F)F ZINC000793347370 882144465 /nfs/dbraw/zinc/14/44/65/882144465.db2.gz BJNNAGZRPWGXGI-LBPRGKRZSA-N 1 2 379.737 3.907 20 10 GHCDLO CC(=O)N(C)C1CC[NH+](CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000103470167 872027600 /nfs/dbraw/zinc/02/76/00/872027600.db2.gz ADGYDCASPICCPM-UHFFFAOYSA-N 1 2 381.520 3.528 20 10 GHCDLO C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)c(F)cc1O ZINC000857875580 882605119 /nfs/dbraw/zinc/60/51/19/882605119.db2.gz ULBJHERAQIVHBJ-BTDLBPIBSA-N 1 2 393.256 3.658 20 10 GHCDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1O)C[C@@H]1CCCO1 ZINC000775664174 872507317 /nfs/dbraw/zinc/50/73/17/872507317.db2.gz UTHHCKKUZKBFBS-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO CC[N@H+](Cc1cc(Br)cc(Br)c1O)C[C@@H]1CCCO1 ZINC000775664174 872507321 /nfs/dbraw/zinc/50/73/21/872507321.db2.gz UTHHCKKUZKBFBS-LBPRGKRZSA-N 1 2 393.119 3.918 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(C)n1-c1ccc(F)cc1 ZINC000767904386 872950233 /nfs/dbraw/zinc/95/02/33/872950233.db2.gz BWLOCBKIQSXPJF-PZJWPPBQSA-N 1 2 388.508 3.622 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(C)n1-c1ccc(F)cc1 ZINC000767904386 872950241 /nfs/dbraw/zinc/95/02/41/872950241.db2.gz BWLOCBKIQSXPJF-PZJWPPBQSA-N 1 2 388.508 3.622 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1 ZINC000768527790 873361094 /nfs/dbraw/zinc/36/10/94/873361094.db2.gz FFFFJJJURQRHBU-ZDUSSCGKSA-N 1 2 396.354 3.798 20 10 GHCDLO O=S(=O)(NC1CN(c2cccc[nH+]2)C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197197192 873646777 /nfs/dbraw/zinc/64/67/77/873646777.db2.gz ZNVBOOMHTRTIHF-GHVJWSGMSA-N 1 2 393.472 3.664 20 10 GHCDLO COC(=O)CN(Cc1c[nH+]c(C)n1-c1ccccc1)Cc1cc(Cl)ccc1O ZINC000769382230 874010334 /nfs/dbraw/zinc/01/03/34/874010334.db2.gz VWQKVKKKZWASJM-UHFFFAOYSA-N 1 2 399.878 3.715 20 10 GHCDLO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000770382518 874623388 /nfs/dbraw/zinc/62/33/88/874623388.db2.gz WPASVIKAIVGEKZ-GFCCVEGCSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000770382518 874623392 /nfs/dbraw/zinc/62/33/92/874623392.db2.gz WPASVIKAIVGEKZ-GFCCVEGCSA-N 1 2 377.286 3.530 20 10 GHCDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+](Cc1ccco1)Cc1ccccc1O)OCCO2 ZINC000771924170 875528602 /nfs/dbraw/zinc/52/86/02/875528602.db2.gz BZTHTYBIDQFBBU-UHFFFAOYSA-N 1 2 396.399 3.867 20 10 GHCDLO O=[N+]([O-])c1cc2c(cc1C[N@H+](Cc1ccco1)Cc1ccccc1O)OCCO2 ZINC000771924170 875528612 /nfs/dbraw/zinc/52/86/12/875528612.db2.gz BZTHTYBIDQFBBU-UHFFFAOYSA-N 1 2 396.399 3.867 20 10 GHCDLO OC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccc(OC(F)(F)F)cc1 ZINC000776247224 876026765 /nfs/dbraw/zinc/02/67/65/876026765.db2.gz BEEWDKVQHXDUDJ-CYBMUJFWSA-N 1 2 389.801 3.885 20 10 GHCDLO Cc1ccc(CNC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1F ZINC000109761315 877424775 /nfs/dbraw/zinc/42/47/75/877424775.db2.gz LKEXGGIJRVXGFK-UHFFFAOYSA-N 1 2 382.435 3.751 20 10 GHCDLO Cc1ccc(CNC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1F ZINC000109761315 877424786 /nfs/dbraw/zinc/42/47/86/877424786.db2.gz LKEXGGIJRVXGFK-UHFFFAOYSA-N 1 2 382.435 3.751 20 10 GHCDLO O=C(C[N@@H+]1CCC2=C(CCC(=O)N2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852299097 878210464 /nfs/dbraw/zinc/21/04/64/878210464.db2.gz MEGQXJRYWQCQPO-UHFFFAOYSA-N 1 2 389.459 3.910 20 10 GHCDLO O=C(C[N@H+]1CCC2=C(CCC(=O)N2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852299097 878210480 /nfs/dbraw/zinc/21/04/80/878210480.db2.gz MEGQXJRYWQCQPO-UHFFFAOYSA-N 1 2 389.459 3.910 20 10 GHCDLO C[N@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC000791442962 880409286 /nfs/dbraw/zinc/40/92/86/880409286.db2.gz PZIRPCWPMNYCQE-UHFFFAOYSA-N 1 2 386.561 3.724 20 10 GHCDLO C[N@@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC000791442962 880409292 /nfs/dbraw/zinc/40/92/92/880409292.db2.gz PZIRPCWPMNYCQE-UHFFFAOYSA-N 1 2 386.561 3.724 20 10 GHCDLO Cc1cc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1-c1ccccc1 ZINC000858905655 883445327 /nfs/dbraw/zinc/44/53/27/883445327.db2.gz FJYAJGHSZAAASY-UHFFFAOYSA-N 1 2 377.492 3.906 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000859945829 884195274 /nfs/dbraw/zinc/19/52/74/884195274.db2.gz TVPJLHCUVZCWSW-UHFFFAOYSA-N 1 2 376.460 3.650 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000859945829 884195284 /nfs/dbraw/zinc/19/52/84/884195284.db2.gz TVPJLHCUVZCWSW-UHFFFAOYSA-N 1 2 376.460 3.650 20 10 GHCDLO Cc1cc(O)c(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1Cl ZINC000825556642 885097824 /nfs/dbraw/zinc/09/78/24/885097824.db2.gz UAOYLXAPVCDNKH-UHFFFAOYSA-N 1 2 392.834 3.547 20 10 GHCDLO CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000809767521 887754711 /nfs/dbraw/zinc/75/47/11/887754711.db2.gz NGJQWPHYOWLSBE-LBPRGKRZSA-N 1 2 395.135 3.756 20 10 GHCDLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000809767521 887754721 /nfs/dbraw/zinc/75/47/21/887754721.db2.gz NGJQWPHYOWLSBE-LBPRGKRZSA-N 1 2 395.135 3.756 20 10 GHCDLO Fc1cc(C[NH2+]Cc2c(Cl)cncc2Cl)cc(F)c1N1CCOCC1 ZINC000865598655 888468306 /nfs/dbraw/zinc/46/83/06/888468306.db2.gz YKZLGUROOBDNSC-UHFFFAOYSA-N 1 2 388.245 3.793 20 10 GHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)N[C@@H]1CCOc2ccccc21 ZINC000123356565 890542146 /nfs/dbraw/zinc/54/21/46/890542146.db2.gz PRVPFNJLCRWRCW-HXUWFJFHSA-N 1 2 392.455 3.627 20 10 GHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)N[C@@H]1CCOc2ccccc21 ZINC000123356565 890542155 /nfs/dbraw/zinc/54/21/55/890542155.db2.gz PRVPFNJLCRWRCW-HXUWFJFHSA-N 1 2 392.455 3.627 20 10 GHCDLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)c(C)n1-c1ccccc1Br ZINC000812298203 890545775 /nfs/dbraw/zinc/54/57/75/890545775.db2.gz SXPHGXXNTSMZAA-UHFFFAOYSA-N 1 2 399.292 3.709 20 10 GHCDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2c(O)ccc(Cl)c2F)CC1 ZINC000814178939 892343678 /nfs/dbraw/zinc/34/36/78/892343678.db2.gz JSYSXPJNQSNOBE-UHFFFAOYSA-N 1 2 397.903 3.654 20 10 GHCDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2c(O)ccc(Cl)c2F)CC1 ZINC000814178939 892343696 /nfs/dbraw/zinc/34/36/96/892343696.db2.gz JSYSXPJNQSNOBE-UHFFFAOYSA-N 1 2 397.903 3.654 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774849824 913787458 /nfs/dbraw/zinc/78/74/58/913787458.db2.gz LIVKWAUBBXPXKM-SFHVURJKSA-N 1 2 396.447 3.923 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774849824 913787466 /nfs/dbraw/zinc/78/74/66/913787466.db2.gz LIVKWAUBBXPXKM-SFHVURJKSA-N 1 2 396.447 3.923 20 10 GHCDLO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000877836425 893839649 /nfs/dbraw/zinc/83/96/49/893839649.db2.gz WZTGVPXYBPCSNO-JTQLQIEISA-N 1 2 393.119 3.510 20 10 GHCDLO CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000877836425 893839663 /nfs/dbraw/zinc/83/96/63/893839663.db2.gz WZTGVPXYBPCSNO-JTQLQIEISA-N 1 2 393.119 3.510 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1O ZINC000748051338 894607166 /nfs/dbraw/zinc/60/71/66/894607166.db2.gz QRVXKTNEYOMSQL-LJQANCHMSA-N 1 2 399.466 3.910 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1O ZINC000748051338 894607172 /nfs/dbraw/zinc/60/71/72/894607172.db2.gz QRVXKTNEYOMSQL-LJQANCHMSA-N 1 2 399.466 3.910 20 10 GHCDLO COCCOc1cccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC000882898440 897087965 /nfs/dbraw/zinc/08/79/65/897087965.db2.gz KHRHGXVNBACUJH-UHFFFAOYSA-N 1 2 384.245 3.609 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000883136198 897313492 /nfs/dbraw/zinc/31/34/92/897313492.db2.gz XBZZJIGLRLKWID-HOCLYGCPSA-N 1 2 381.245 3.699 20 10 GHCDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000822497378 898429592 /nfs/dbraw/zinc/42/95/92/898429592.db2.gz BCOLUYOXZPHZLJ-JTQLQIEISA-N 1 2 387.427 3.865 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000043862440 898994523 /nfs/dbraw/zinc/99/45/23/898994523.db2.gz JYSDSUPFRFJUOT-HDICACEKSA-N 1 2 396.535 3.684 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000043862440 898994530 /nfs/dbraw/zinc/99/45/30/898994530.db2.gz JYSDSUPFRFJUOT-HDICACEKSA-N 1 2 396.535 3.684 20 10 GHCDLO FC(F)(F)Oc1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)cc1 ZINC001136884079 899635313 /nfs/dbraw/zinc/63/53/13/899635313.db2.gz STOIIHRFEHDSLM-UHFFFAOYSA-N 1 2 376.382 3.555 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000844401727 900799321 /nfs/dbraw/zinc/79/93/21/900799321.db2.gz PAFHVWBZOVODCR-KRWDZBQOSA-N 1 2 380.492 3.798 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000844401727 900799329 /nfs/dbraw/zinc/79/93/29/900799329.db2.gz PAFHVWBZOVODCR-KRWDZBQOSA-N 1 2 380.492 3.798 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(OC(F)(F)F)c1 ZINC001144053755 900984823 /nfs/dbraw/zinc/98/48/23/900984823.db2.gz JAGKVHKYMQJTCT-UHFFFAOYSA-N 1 2 383.366 3.953 20 10 GHCDLO COc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(OC(F)(F)F)c1 ZINC001144053755 900984830 /nfs/dbraw/zinc/98/48/30/900984830.db2.gz JAGKVHKYMQJTCT-UHFFFAOYSA-N 1 2 383.366 3.953 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc(Br)c(F)cc2O)C[C@H]1c1ccccc1 ZINC001144299570 901649728 /nfs/dbraw/zinc/64/97/28/901649728.db2.gz AOYJANPMXXZKHW-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(Br)c(F)cc2O)C[C@H]1c1ccccc1 ZINC001144299570 901649730 /nfs/dbraw/zinc/64/97/30/901649730.db2.gz AOYJANPMXXZKHW-KRWDZBQOSA-N 1 2 379.273 3.783 20 10 GHCDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Br)c(F)cc3O)C2)nc1 ZINC001144307949 901700714 /nfs/dbraw/zinc/70/07/14/901700714.db2.gz MPPASYKAKTXBFI-ZDUSSCGKSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Br)c(F)cc3O)C2)nc1 ZINC001144307949 901700726 /nfs/dbraw/zinc/70/07/26/901700726.db2.gz MPPASYKAKTXBFI-ZDUSSCGKSA-N 1 2 381.245 3.651 20 10 GHCDLO COC(=O)[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCC[C@@H](OC)C1 ZINC000846108756 902684570 /nfs/dbraw/zinc/68/45/70/902684570.db2.gz RFPNJJSPKVLHFR-CZTZKLFOSA-N 1 2 383.488 3.896 20 10 GHCDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cn2c1 ZINC000773001558 904356438 /nfs/dbraw/zinc/35/64/38/904356438.db2.gz UYZHOKCVNVISJJ-INIZCTEOSA-N 1 2 382.533 3.819 20 10 GHCDLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccc(N(C)C)cc1 ZINC000773617034 908423210 /nfs/dbraw/zinc/42/32/10/908423210.db2.gz MMOYZDQCDPJELU-IRXDYDNUSA-N 1 2 386.565 3.964 20 10 GHCDLO C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192747223 908820169 /nfs/dbraw/zinc/82/01/69/908820169.db2.gz FHXUUWFOCJJEFC-ZDUSSCGKSA-N 1 2 395.334 3.697 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000195142456 908972435 /nfs/dbraw/zinc/97/24/35/908972435.db2.gz AVCXWEPFDRMEHK-VHSXEESVSA-N 1 2 391.281 3.858 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]CCOCC(F)(F)C(F)F ZINC001178634856 909160587 /nfs/dbraw/zinc/16/05/87/909160587.db2.gz WDZUQYTXGHHTIL-UHFFFAOYSA-N 1 2 394.590 3.815 20 10 GHCDLO COc1ccc(C[N@@H+]2CCc3c(Br)ccc(F)c3C2)c(O)c1OC ZINC001180655174 910286261 /nfs/dbraw/zinc/28/62/61/910286261.db2.gz VKAZUTQLVBWDQS-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO COc1ccc(C[N@H+]2CCc3c(Br)ccc(F)c3C2)c(O)c1OC ZINC001180655174 910286272 /nfs/dbraw/zinc/28/62/72/910286272.db2.gz VKAZUTQLVBWDQS-UHFFFAOYSA-N 1 2 396.256 3.869 20 10 GHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)cc2Cl)C1 ZINC000800570684 920282526 /nfs/dbraw/zinc/28/25/26/920282526.db2.gz BNDQZFJVLYKKGM-NVXWUHKLSA-N 1 2 386.927 3.652 20 10 GHCDLO C[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1cc(Br)cc(F)c1O ZINC000903222971 922867974 /nfs/dbraw/zinc/86/79/74/922867974.db2.gz QMQWFSOVUNDEEQ-SECBINFHSA-N 1 2 388.306 3.663 20 10 GHCDLO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Br)cc(Cl)c1O ZINC000903275306 922901613 /nfs/dbraw/zinc/90/16/13/922901613.db2.gz ZTQCCVNLXRTLFC-VIFPVBQESA-N 1 2 376.657 3.825 20 10 GHCDLO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)C1 ZINC000827006665 924537673 /nfs/dbraw/zinc/53/76/73/924537673.db2.gz SCCXNAPDLFHUKI-XYPYZODXSA-N 1 2 379.092 3.574 20 10 GHCDLO Cc1cc(C(=O)COC(=O)CCc2ccc(N)[nH+]c2)c(C)n1-c1cccc(C)c1 ZINC000751458498 928203033 /nfs/dbraw/zinc/20/30/33/928203033.db2.gz LOYZSZIZNICAFK-UHFFFAOYSA-N 1 2 391.471 3.738 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1ccccc1C ZINC000781342396 930803738 /nfs/dbraw/zinc/80/37/38/930803738.db2.gz BAFLFQKKDRLLDJ-UHFFFAOYSA-N 1 2 395.547 3.776 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000781893967 931014571 /nfs/dbraw/zinc/01/45/71/931014571.db2.gz ATYLQNXZSQBWHO-UHFFFAOYSA-N 1 2 388.265 3.744 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000781893967 931014578 /nfs/dbraw/zinc/01/45/78/931014578.db2.gz ATYLQNXZSQBWHO-UHFFFAOYSA-N 1 2 388.265 3.744 20 10 GHCDLO Cc1nc(CN2CC[NH+](Cc3cc(C)cc(Br)c3O)CC2)cs1 ZINC000781893995 931014771 /nfs/dbraw/zinc/01/47/71/931014771.db2.gz BLOCKJSVAPZCFO-UHFFFAOYSA-N 1 2 396.354 3.546 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000781912759 931026522 /nfs/dbraw/zinc/02/65/22/931026522.db2.gz QNVOFMNQKBREJC-UHFFFAOYSA-N 1 2 392.219 3.854 20 10 GHCDLO CSCCCN1C(=O)/C(=C/c2cc(-n3cc[nH+]c3)cs2)SC1=S ZINC000783698646 931621648 /nfs/dbraw/zinc/62/16/48/931621648.db2.gz LPARRWZPOGYLSP-JYRVWZFOSA-N 1 2 381.573 3.888 20 10 GHCDLO COC(=O)c1ccccc1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001137792882 935792465 /nfs/dbraw/zinc/79/24/65/935792465.db2.gz TVRWCTKGGYCNAO-UHFFFAOYSA-N 1 2 394.393 3.694 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1Cc2c(cnn2CC2CC2)[C@@H](COCC2CC2)C1 ZINC001137835782 935815345 /nfs/dbraw/zinc/81/53/45/935815345.db2.gz NMDRSORSTUGNGS-QGZVFWFLSA-N 1 2 385.483 3.664 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1Cc2c(cnn2CC2CC2)[C@@H](COCC2CC2)C1 ZINC001137835782 935815348 /nfs/dbraw/zinc/81/53/48/935815348.db2.gz NMDRSORSTUGNGS-QGZVFWFLSA-N 1 2 385.483 3.664 20 10 GHCDLO O=C(NCC1CCCC1)[C@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232695 1032520526 /nfs/dbraw/zinc/52/05/26/1032520526.db2.gz XHOZQENWGSGTEF-QGZVFWFLSA-N 1 2 376.928 3.954 20 10 GHCDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2Cc3cccc(O)c3C2)C[C@H](C)O1 ZINC000929768058 1017738160 /nfs/dbraw/zinc/73/81/60/1017738160.db2.gz GYCRYLNOMRYOSO-HOTGVXAUSA-N 1 2 381.476 3.549 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140338043 1021441909 /nfs/dbraw/zinc/44/19/09/1021441909.db2.gz SMOHICISRMKQLV-FQEVSTJZSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140338043 1021441915 /nfs/dbraw/zinc/44/19/15/1021441915.db2.gz SMOHICISRMKQLV-FQEVSTJZSA-N 1 2 396.915 3.648 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCC1(F)F ZINC001140341772 1021452033 /nfs/dbraw/zinc/45/20/33/1021452033.db2.gz HEKHEAIAQZSBPP-CQSZACIVSA-N 1 2 376.831 3.780 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCC1(F)F ZINC001140341772 1021452035 /nfs/dbraw/zinc/45/20/35/1021452035.db2.gz HEKHEAIAQZSBPP-CQSZACIVSA-N 1 2 376.831 3.780 20 10 GHCDLO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000802658381 1021516436 /nfs/dbraw/zinc/51/64/36/1021516436.db2.gz XTECUWCBGKOXBZ-QGZVFWFLSA-N 1 2 376.859 3.508 20 10 GHCDLO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(Br)cc(F)c1O ZINC000834826576 1021521044 /nfs/dbraw/zinc/52/10/44/1021521044.db2.gz FBZPZCGHFVRGIC-IINYFYTJSA-N 1 2 386.236 3.687 20 10 GHCDLO CC[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cccc(Cl)c1O ZINC000834839955 1021540622 /nfs/dbraw/zinc/54/06/22/1021540622.db2.gz GDGJNLYKOOCFBE-AWEZNQCLSA-N 1 2 385.689 3.711 20 10 GHCDLO CC[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(Cl)c1O ZINC000834908796 1021667685 /nfs/dbraw/zinc/66/76/85/1021667685.db2.gz HXBDMXSNVIUWGL-BBRMVZONSA-N 1 2 384.904 3.722 20 10 GHCDLO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cccc(Cl)c1O ZINC000834908797 1021668506 /nfs/dbraw/zinc/66/85/06/1021668506.db2.gz HXBDMXSNVIUWGL-CJNGLKHVSA-N 1 2 384.904 3.722 20 10 GHCDLO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1cc(Br)cc(F)c1O ZINC000834915440 1021678000 /nfs/dbraw/zinc/67/80/00/1021678000.db2.gz YRFKBQHCSUYORW-ITDIGPHOSA-N 1 2 398.276 3.598 20 10 GHCDLO Cc1cc(C(=O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000748832228 1021725482 /nfs/dbraw/zinc/72/54/82/1021725482.db2.gz FIZOJEGBUAYEJV-QFIPXVFZSA-N 1 2 396.531 3.855 20 10 GHCDLO COc1ccccc1[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1nccn1C ZINC000835037708 1021795152 /nfs/dbraw/zinc/79/51/52/1021795152.db2.gz VUQHVCCBIHZACV-VQKOGROQSA-N 1 2 376.504 3.887 20 10 GHCDLO O=C1OC[C@@H]2[C@H]([N@H+](Cc3ccccc3)Cc3c(O)cc(F)cc3F)CCCN12 ZINC001140583963 1022005372 /nfs/dbraw/zinc/00/53/72/1022005372.db2.gz ZVBGGCAIAMJOQS-RTBURBONSA-N 1 2 388.414 3.656 20 10 GHCDLO COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140584504 1022007951 /nfs/dbraw/zinc/00/79/51/1022007951.db2.gz UNJKRNMLVMXCGJ-QUCCMNQESA-N 1 2 375.415 3.982 20 10 GHCDLO COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140584504 1022007967 /nfs/dbraw/zinc/00/79/67/1022007967.db2.gz UNJKRNMLVMXCGJ-QUCCMNQESA-N 1 2 375.415 3.982 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)cc(F)c1O ZINC000756370482 1023614002 /nfs/dbraw/zinc/61/40/02/1023614002.db2.gz IZPDKGVBTPBRKX-YJYMSZOUSA-N 1 2 380.410 3.534 20 10 GHCDLO COCCOc1ncccc1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756433353 1023646794 /nfs/dbraw/zinc/64/67/94/1023646794.db2.gz XZGBWBWZDQIULE-NSHDSACASA-N 1 2 399.260 3.565 20 10 GHCDLO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000756563835 1023714812 /nfs/dbraw/zinc/71/48/12/1023714812.db2.gz OHYQUJFTLZYGLP-GHMZBOCLSA-N 1 2 378.694 3.512 20 10 GHCDLO C[C@H]([NH2+]CCCOCC1CCOCC1)c1cc(Br)c(F)cc1O ZINC000756602207 1023732025 /nfs/dbraw/zinc/73/20/25/1023732025.db2.gz DBOSMCWSRPJESR-LBPRGKRZSA-N 1 2 390.293 3.778 20 10 GHCDLO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(F)cc(F)c3O)C2)c1 ZINC000756639060 1023748796 /nfs/dbraw/zinc/74/87/96/1023748796.db2.gz VZEASUMSBRZPJV-TZMCWYRMSA-N 1 2 378.419 3.617 20 10 GHCDLO C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1O ZINC000756649349 1023753959 /nfs/dbraw/zinc/75/39/59/1023753959.db2.gz PAUYBCLLKZJMAA-SECBINFHSA-N 1 2 389.265 3.564 20 10 GHCDLO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)cc(F)c1O ZINC000756761034 1023804705 /nfs/dbraw/zinc/80/47/05/1023804705.db2.gz KZKHIIUETMECNP-BZNIZROVSA-N 1 2 399.304 3.878 20 10 GHCDLO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Br)cc(Br)c1O ZINC000756770706 1023808880 /nfs/dbraw/zinc/80/88/80/1023808880.db2.gz ZKMICIGAJAHJTK-LDYMZIIASA-N 1 2 393.119 3.729 20 10 GHCDLO CC(C)(C)OC(=O)CC[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138222063 1024398732 /nfs/dbraw/zinc/39/87/32/1024398732.db2.gz FDMFWHJWCUCVTP-OAQYLSRUSA-N 1 2 388.552 4.000 20 10 GHCDLO CC(C)(C)OC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138222063 1024398751 /nfs/dbraw/zinc/39/87/51/1024398751.db2.gz FDMFWHJWCUCVTP-OAQYLSRUSA-N 1 2 388.552 4.000 20 10 GHCDLO CN1CCCc2cc(C[NH+]3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc21 ZINC001138356094 1024720707 /nfs/dbraw/zinc/72/07/07/1024720707.db2.gz HIHJJWJSFVNCLG-UHFFFAOYSA-N 1 2 383.923 3.680 20 10 GHCDLO CCC(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141374239 1024766935 /nfs/dbraw/zinc/76/69/35/1024766935.db2.gz CPAMBFXIVZZEMY-UHFFFAOYSA-N 1 2 389.721 3.641 20 10 GHCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)c(OC)c1 ZINC001138392192 1024768824 /nfs/dbraw/zinc/76/88/24/1024768824.db2.gz TUYPMEDONXXJAH-UHFFFAOYSA-N 1 2 395.547 3.808 20 10 GHCDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2c(O)cccc2Br)C(C)(C)C1 ZINC001205100037 1033251139 /nfs/dbraw/zinc/25/11/39/1033251139.db2.gz CEJSUWPFPYENEU-UHFFFAOYSA-N 1 2 383.330 3.624 20 10 GHCDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2c(O)cccc2Br)C(C)(C)C1 ZINC001205100037 1033251147 /nfs/dbraw/zinc/25/11/47/1033251147.db2.gz CEJSUWPFPYENEU-UHFFFAOYSA-N 1 2 383.330 3.624 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001139129118 1025941732 /nfs/dbraw/zinc/94/17/32/1025941732.db2.gz NIZRBAVZZQAQBX-MRXNPFEDSA-N 1 2 382.485 3.959 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001139129118 1025941737 /nfs/dbraw/zinc/94/17/37/1025941737.db2.gz NIZRBAVZZQAQBX-MRXNPFEDSA-N 1 2 382.485 3.959 20 10 GHCDLO Cc1cccc(N2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)c1C ZINC001139129318 1025942143 /nfs/dbraw/zinc/94/21/43/1025942143.db2.gz VWTILNXXQQOQRT-UHFFFAOYSA-N 1 2 378.472 3.746 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(c2ccc(F)cc2C)CC1 ZINC001139132863 1025944849 /nfs/dbraw/zinc/94/48/49/1025944849.db2.gz BIHNVRFKVPSMFG-UHFFFAOYSA-N 1 2 382.435 3.577 20 10 GHCDLO CC(C)(C)c1cnc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001165808834 1026844453 /nfs/dbraw/zinc/84/44/53/1026844453.db2.gz ONVYYIPPGKXSSM-UHFFFAOYSA-N 1 2 389.590 3.877 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001203568883 1027439129 /nfs/dbraw/zinc/43/91/29/1027439129.db2.gz YOCVRXWWOIFDDC-JWYUURKGSA-N 1 2 379.067 3.850 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001203568883 1027439142 /nfs/dbraw/zinc/43/91/42/1027439142.db2.gz YOCVRXWWOIFDDC-JWYUURKGSA-N 1 2 379.067 3.850 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)cc1 ZINC001203931857 1027723683 /nfs/dbraw/zinc/72/36/83/1027723683.db2.gz LLIWPTUDEPXZBI-OAQYLSRUSA-N 1 2 394.563 3.885 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)cc1 ZINC001203931857 1027723705 /nfs/dbraw/zinc/72/37/05/1027723705.db2.gz LLIWPTUDEPXZBI-OAQYLSRUSA-N 1 2 394.563 3.885 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC001203935316 1027728816 /nfs/dbraw/zinc/72/88/16/1027728816.db2.gz CYIJSBDCWRQUBN-UHFFFAOYSA-N 1 2 383.511 3.672 20 10 GHCDLO OC[C@]1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCc2ccccc21 ZINC001461361296 1069518990 /nfs/dbraw/zinc/51/89/90/1069518990.db2.gz YPEHUEJJTIFUPK-QGZVFWFLSA-N 1 2 382.685 3.732 20 10 GHCDLO CN(C)C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc(F)cc1 ZINC001461554548 1069606774 /nfs/dbraw/zinc/60/67/74/1069606774.db2.gz QQYQFPFKFLQOKK-INIZCTEOSA-N 1 2 385.252 3.825 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)cc(Cl)c1O ZINC000842887323 1029662829 /nfs/dbraw/zinc/66/28/29/1029662829.db2.gz YMSROECVFVQKLJ-NOZJJQNGSA-N 1 2 389.721 3.858 20 10 GHCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1ccc(F)cc1F ZINC001461656912 1069662640 /nfs/dbraw/zinc/66/26/40/1069662640.db2.gz CMQRQUWDEDOHIK-AWEZNQCLSA-N 1 2 392.627 3.910 20 10 GHCDLO C[C@H]1CC[NH2+]CC[C@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001218021284 1030727396 /nfs/dbraw/zinc/72/73/96/1030727396.db2.gz ASXDBDPMUBSYFG-SUMWQHHRSA-N 1 2 381.428 3.638 20 10 GHCDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001224680508 1031077587 /nfs/dbraw/zinc/07/75/87/1031077587.db2.gz APZICZQJYVHEHG-IBGZPJMESA-N 1 2 382.439 3.585 20 10 GHCDLO COc1cc(N2CC[NH+](Cc3cc(F)c(N(C)C)cc3F)CC2)ccc1F ZINC001205521719 1033450852 /nfs/dbraw/zinc/45/08/52/1033450852.db2.gz CKJAZJLWCBWDTA-UHFFFAOYSA-N 1 2 379.426 3.501 20 10 GHCDLO COc1cc(Cl)cc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1O ZINC001205600589 1033487498 /nfs/dbraw/zinc/48/74/98/1033487498.db2.gz MNORSKMLIIXNSO-STQMWFEESA-N 1 2 377.872 3.675 20 10 GHCDLO CC[NH+](CC)C[C@@H](C)Oc1c(O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229700080 1033649744 /nfs/dbraw/zinc/64/97/44/1033649744.db2.gz PQZGPTCFKKZQJX-CYBMUJFWSA-N 1 2 399.443 3.686 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277509938 1034542772 /nfs/dbraw/zinc/54/27/72/1034542772.db2.gz KGNVMMRMPWDERN-HXUWFJFHSA-N 1 2 380.891 3.942 20 10 GHCDLO O=C1N(CC2CCCC2)CC[C@]12CCC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277509938 1034542776 /nfs/dbraw/zinc/54/27/76/1034542776.db2.gz KGNVMMRMPWDERN-HXUWFJFHSA-N 1 2 380.891 3.942 20 10 GHCDLO O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911214 1034985298 /nfs/dbraw/zinc/98/52/98/1034985298.db2.gz GEHWQKZGBOVCPY-NRFANRHFSA-N 1 2 399.878 3.795 20 10 GHCDLO O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911214 1034985302 /nfs/dbraw/zinc/98/53/02/1034985302.db2.gz GEHWQKZGBOVCPY-NRFANRHFSA-N 1 2 399.878 3.795 20 10 GHCDLO Oc1c(Cl)cccc1C[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001231911627 1034986971 /nfs/dbraw/zinc/98/69/71/1034986971.db2.gz OASUIMXZWDUMQT-UHFFFAOYSA-N 1 2 393.940 3.621 20 10 GHCDLO CS(=O)(=O)c1cccc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)c1 ZINC001231914163 1034988006 /nfs/dbraw/zinc/98/80/06/1034988006.db2.gz ZTDHNBSRLIVDMA-UHFFFAOYSA-N 1 2 379.909 3.829 20 10 GHCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1c(O)cccc1Br ZINC001462071585 1069979916 /nfs/dbraw/zinc/97/99/16/1069979916.db2.gz NIGZHVHCUSZBGA-OLZOCXBDSA-N 1 2 399.329 3.984 20 10 GHCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1c(O)cccc1Br ZINC001462071585 1069979922 /nfs/dbraw/zinc/97/99/22/1069979922.db2.gz NIGZHVHCUSZBGA-OLZOCXBDSA-N 1 2 399.329 3.984 20 10 GHCDLO Oc1cc(I)ccc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC001232977340 1038746748 /nfs/dbraw/zinc/74/67/48/1038746748.db2.gz ATPIHLFJWIJQER-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cc(I)ccc1C[N@H+]1CCc2c(F)cccc2C1 ZINC001232977340 1038746756 /nfs/dbraw/zinc/74/67/56/1038746756.db2.gz ATPIHLFJWIJQER-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001233027022 1038779178 /nfs/dbraw/zinc/77/91/78/1038779178.db2.gz KKSIWSKBOYMDPM-UHFFFAOYSA-N 1 2 394.284 3.863 20 10 GHCDLO Cc1cc(Br)cc(C[N@H+](C)CC(=O)OCc2ccccc2)c1O ZINC001233110373 1038901041 /nfs/dbraw/zinc/90/10/41/1038901041.db2.gz CJBODRYFFDWUHQ-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO Cc1cc(Br)cc(C[N@@H+](C)CC(=O)OCc2ccccc2)c1O ZINC001233110373 1038901044 /nfs/dbraw/zinc/90/10/44/1038901044.db2.gz CJBODRYFFDWUHQ-UHFFFAOYSA-N 1 2 378.266 3.638 20 10 GHCDLO COc1c(O)c(C[NH+]2CC(Cc3c(F)cccc3Cl)C2)ccc1[N+](=O)[O-] ZINC001462318923 1070167372 /nfs/dbraw/zinc/16/73/72/1070167372.db2.gz BVWLNJNGPLPZKL-UHFFFAOYSA-N 1 2 380.803 3.776 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233287783 1039065590 /nfs/dbraw/zinc/06/55/90/1039065590.db2.gz HKBWDSXCXYWZGV-HUUCEWRRSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001233287783 1039065609 /nfs/dbraw/zinc/06/56/09/1039065609.db2.gz HKBWDSXCXYWZGV-HUUCEWRRSA-N 1 2 382.888 3.638 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@]1(F)CC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233419849 1039282376 /nfs/dbraw/zinc/28/23/76/1039282376.db2.gz OTPWUHRQICRXOD-QGZVFWFLSA-N 1 2 392.393 3.850 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@]1(F)CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233419849 1039282381 /nfs/dbraw/zinc/28/23/81/1039282381.db2.gz OTPWUHRQICRXOD-QGZVFWFLSA-N 1 2 392.393 3.850 20 10 GHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1)c1ccc(F)cc1 ZINC001233419748 1039282995 /nfs/dbraw/zinc/28/29/95/1039282995.db2.gz LCFMACXVVFPRDL-MRXNPFEDSA-N 1 2 396.384 3.945 20 10 GHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1)c1ccc(F)cc1 ZINC001233419748 1039283000 /nfs/dbraw/zinc/28/30/00/1039283000.db2.gz LCFMACXVVFPRDL-MRXNPFEDSA-N 1 2 396.384 3.945 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235067180 1040559032 /nfs/dbraw/zinc/55/90/32/1040559032.db2.gz ROXFWMICXHSWDE-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235067180 1040559050 /nfs/dbraw/zinc/55/90/50/1040559050.db2.gz ROXFWMICXHSWDE-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(F)cc(Br)c1O ZINC001235294819 1040765024 /nfs/dbraw/zinc/76/50/24/1040765024.db2.gz QQZSPPOVYBLBOD-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(F)cc(Br)c1O ZINC001235294819 1040765040 /nfs/dbraw/zinc/76/50/40/1040765040.db2.gz QQZSPPOVYBLBOD-UHFFFAOYSA-N 1 2 391.281 3.640 20 10 GHCDLO CC(C)(C)c1ccc(C[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)c(O)c1 ZINC001235678382 1041137932 /nfs/dbraw/zinc/13/79/32/1041137932.db2.gz HCFOAFOTWMQMPU-UHFFFAOYSA-N 1 2 379.508 3.537 20 10 GHCDLO CC(C)(C)c1ccc(C[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)c(O)c1 ZINC001235678382 1041137936 /nfs/dbraw/zinc/13/79/36/1041137936.db2.gz HCFOAFOTWMQMPU-UHFFFAOYSA-N 1 2 379.508 3.537 20 10 GHCDLO COc1ccc(CN(Cc2c(F)ccc(F)c2O)C2CC[NH2+]CC2)cc1F ZINC001236515030 1041748867 /nfs/dbraw/zinc/74/88/67/1041748867.db2.gz GDDIIYDQYHHWMI-UHFFFAOYSA-N 1 2 380.410 3.572 20 10 GHCDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277996140 1041820512 /nfs/dbraw/zinc/82/05/12/1041820512.db2.gz TXWGPOXQTZAGBE-INIZCTEOSA-N 1 2 379.234 3.531 20 10 GHCDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277996140 1041820517 /nfs/dbraw/zinc/82/05/17/1041820517.db2.gz TXWGPOXQTZAGBE-INIZCTEOSA-N 1 2 379.234 3.531 20 10 GHCDLO COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1Cl ZINC001236802982 1041904902 /nfs/dbraw/zinc/90/49/02/1041904902.db2.gz XHBRLUUYDHYTGU-UKRRQHHQSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1Cl ZINC001236802982 1041904904 /nfs/dbraw/zinc/90/49/04/1041904904.db2.gz XHBRLUUYDHYTGU-UKRRQHHQSA-N 1 2 396.915 3.743 20 10 GHCDLO COc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c(O)c1Cl ZINC001236810615 1041910323 /nfs/dbraw/zinc/91/03/23/1041910323.db2.gz VSQNFCTVPULMOY-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO COc1ccc(C[NH+]2CCC(n3c(=O)oc4ccccc43)CC2)c(O)c1Cl ZINC001236812101 1041911552 /nfs/dbraw/zinc/91/15/52/1041911552.db2.gz RIXZYIMWALGISU-UHFFFAOYSA-N 1 2 388.851 3.799 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC2(CCCN2c2ncccn2)CC1 ZINC001237617455 1042284352 /nfs/dbraw/zinc/28/43/52/1042284352.db2.gz ABMRLKNKSDLCTB-UHFFFAOYSA-N 1 2 376.863 3.610 20 10 GHCDLO O=C1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1ccsc1 ZINC001237618487 1042284931 /nfs/dbraw/zinc/28/49/31/1042284931.db2.gz IFSDPSIHDUTSGO-GOSISDBHSA-N 1 2 380.872 3.875 20 10 GHCDLO O=C1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)CN1c1ccsc1 ZINC001237618487 1042284934 /nfs/dbraw/zinc/28/49/34/1042284934.db2.gz IFSDPSIHDUTSGO-GOSISDBHSA-N 1 2 380.872 3.875 20 10 GHCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1Br ZINC001237682738 1042323662 /nfs/dbraw/zinc/32/36/62/1042323662.db2.gz SFKSSVMRZODQJO-KRWDZBQOSA-N 1 2 376.294 3.907 20 10 GHCDLO Cc1cc(O)c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1Br ZINC001237682738 1042323669 /nfs/dbraw/zinc/32/36/69/1042323669.db2.gz SFKSSVMRZODQJO-KRWDZBQOSA-N 1 2 376.294 3.907 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c1O ZINC001237686397 1042326718 /nfs/dbraw/zinc/32/67/18/1042326718.db2.gz QTHFJXXNAWHWJM-JENIJYKNSA-N 1 2 392.858 3.699 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c1O ZINC001237686397 1042326727 /nfs/dbraw/zinc/32/67/27/1042326727.db2.gz QTHFJXXNAWHWJM-JENIJYKNSA-N 1 2 392.858 3.699 20 10 GHCDLO COc1ccc2c(c1)C[N@@H+](Cc1cccc(I)c1O)CC2 ZINC001237775336 1042363973 /nfs/dbraw/zinc/36/39/73/1042363973.db2.gz FIAFGPZKFFWUNM-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO COc1ccc2c(c1)C[N@H+](Cc1cccc(I)c1O)CC2 ZINC001237775336 1042363975 /nfs/dbraw/zinc/36/39/75/1042363975.db2.gz FIAFGPZKFFWUNM-UHFFFAOYSA-N 1 2 395.240 3.564 20 10 GHCDLO OCC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237791593 1042371765 /nfs/dbraw/zinc/37/17/65/1042371765.db2.gz KGCJOHVWUKHSTO-JTQLQIEISA-N 1 2 382.220 3.768 20 10 GHCDLO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237791553 1042372085 /nfs/dbraw/zinc/37/20/85/1042372085.db2.gz JRJXHOARRCATHM-VIFPVBQESA-N 1 2 396.203 3.559 20 10 GHCDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237791553 1042372090 /nfs/dbraw/zinc/37/20/90/1042372090.db2.gz JRJXHOARRCATHM-VIFPVBQESA-N 1 2 396.203 3.559 20 10 GHCDLO Oc1c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792148 1042372396 /nfs/dbraw/zinc/37/23/96/1042372396.db2.gz PTQJURQBZUIFMR-RNCFNFMXSA-N 1 2 380.204 3.784 20 10 GHCDLO Oc1c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237792148 1042372400 /nfs/dbraw/zinc/37/24/00/1042372400.db2.gz PTQJURQBZUIFMR-RNCFNFMXSA-N 1 2 380.204 3.784 20 10 GHCDLO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237812208 1042381277 /nfs/dbraw/zinc/38/12/77/1042381277.db2.gz FALCUNNHDXWWMZ-KRWDZBQOSA-N 1 2 388.870 3.823 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001237936982 1042428055 /nfs/dbraw/zinc/42/80/55/1042428055.db2.gz LVBCTIJCHAESSD-SOVGHPHASA-N 1 2 392.858 3.638 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001237936982 1042428058 /nfs/dbraw/zinc/42/80/58/1042428058.db2.gz LVBCTIJCHAESSD-SOVGHPHASA-N 1 2 392.858 3.638 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cnc(OC(C)C)c(C)c3)CC2)c(OC)c1 ZINC001238378733 1042577006 /nfs/dbraw/zinc/57/70/06/1042577006.db2.gz RJEJUOFQTCWMFX-UHFFFAOYSA-N 1 2 385.508 3.517 20 10 GHCDLO Cc1cc(CC(=O)NCCCN(C)c2cccc[nH+]2)c(C)n1-c1ccccc1 ZINC001302975669 1047223965 /nfs/dbraw/zinc/22/39/65/1047223965.db2.gz HIVQHOIBBMMBOA-UHFFFAOYSA-N 1 2 376.504 3.674 20 10 GHCDLO Cc1ncsc1CN1CC2(C1)CCC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001279488478 1047822772 /nfs/dbraw/zinc/82/27/72/1047822772.db2.gz IYYYDEJFAXCHQL-UHFFFAOYSA-N 1 2 379.476 3.533 20 10 GHCDLO Cc1ncsc1CN1CC2(C1)CCC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001279488478 1047822780 /nfs/dbraw/zinc/82/27/80/1047822780.db2.gz IYYYDEJFAXCHQL-UHFFFAOYSA-N 1 2 379.476 3.533 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2scnc2C)c(Cl)c1 ZINC001279664790 1047904964 /nfs/dbraw/zinc/90/49/64/1047904964.db2.gz DELSYKDXUDRNJK-IRXDYDNUSA-N 1 2 393.940 3.668 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2scnc2C)c(Cl)c1 ZINC001279664790 1047904969 /nfs/dbraw/zinc/90/49/69/1047904969.db2.gz DELSYKDXUDRNJK-IRXDYDNUSA-N 1 2 393.940 3.668 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279674709 1047909767 /nfs/dbraw/zinc/90/97/67/1047909767.db2.gz MTAVNCBATQJKQJ-LJQANCHMSA-N 1 2 395.334 3.910 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279674709 1047909769 /nfs/dbraw/zinc/90/97/69/1047909769.db2.gz MTAVNCBATQJKQJ-LJQANCHMSA-N 1 2 395.334 3.910 20 10 GHCDLO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C ZINC001307703685 1049520175 /nfs/dbraw/zinc/52/01/75/1049520175.db2.gz XVZXXTROELMKGA-BZUAXINKSA-N 1 2 390.483 3.909 20 10 GHCDLO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1C ZINC001307703685 1049520190 /nfs/dbraw/zinc/52/01/90/1049520190.db2.gz XVZXXTROELMKGA-BZUAXINKSA-N 1 2 390.483 3.909 20 10 GHCDLO COC(=O)N1CCN(c2ccc(N[C@H]3C[C@H](C)c4c3c(O)ccc4C)c[nH+]2)CC1 ZINC001324967440 1057255280 /nfs/dbraw/zinc/25/52/80/1057255280.db2.gz DTWSUHXDQAUBQR-RDJZCZTQSA-N 1 2 396.491 3.644 20 10 GHCDLO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001459598208 1064137795 /nfs/dbraw/zinc/13/77/95/1064137795.db2.gz ORXDJDKLBFKVAB-FQEVSTJZSA-N 1 2 390.483 3.911 20 10 GHCDLO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001459598208 1064137799 /nfs/dbraw/zinc/13/77/99/1064137799.db2.gz ORXDJDKLBFKVAB-FQEVSTJZSA-N 1 2 390.483 3.911 20 10 GHCDLO CCOc1ccc(N2CC[NH+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC001459796053 1064220986 /nfs/dbraw/zinc/22/09/86/1064220986.db2.gz IUAKFSFEIZGUOM-NRFANRHFSA-N 1 2 399.922 3.666 20 10 GHCDLO CNc1cc(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc[nH+]1 ZINC001479063329 1079088948 /nfs/dbraw/zinc/08/89/48/1079088948.db2.gz DVSBOJRMZPCYJI-UHFFFAOYSA-N 1 2 377.492 3.573 20 10 GHCDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)CC1CCCC1 ZINC001473124030 1073792312 /nfs/dbraw/zinc/79/23/12/1073792312.db2.gz LAJSNICKQWWFAI-UHFFFAOYSA-N 1 2 376.456 3.523 20 10 GHCDLO C[N@H+](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)CC1CCCC1 ZINC001473124030 1073792316 /nfs/dbraw/zinc/79/23/16/1073792316.db2.gz LAJSNICKQWWFAI-UHFFFAOYSA-N 1 2 376.456 3.523 20 10 GHCDLO C[C@H]1[C@@H]([NH2+]Cc2cccc(Br)c2O)CCN1Cc1ccccc1 ZINC000309710732 835294071 /nfs/dbraw/zinc/29/40/71/835294071.db2.gz JFVOIKMNFWZBAY-KSSFIOAISA-N 1 2 375.310 3.907 20 10 GHCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1 ZINC000053773967 840720646 /nfs/dbraw/zinc/72/06/46/840720646.db2.gz YBJIICITQUZKHA-KRWDZBQOSA-N 1 2 397.519 3.626 20 10 GHCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1 ZINC000053773967 840720651 /nfs/dbraw/zinc/72/06/51/840720651.db2.gz YBJIICITQUZKHA-KRWDZBQOSA-N 1 2 397.519 3.626 20 10 GHCDLO CCN(CC)c1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1F ZINC000066926946 842651822 /nfs/dbraw/zinc/65/18/22/842651822.db2.gz LSRNHJWXRWAURC-UHFFFAOYSA-N 1 2 399.514 3.667 20 10 GHCDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000273197850 847271449 /nfs/dbraw/zinc/27/14/49/847271449.db2.gz QXCJNUFMOVHXBG-HNNXBMFYSA-N 1 2 383.448 3.694 20 10 GHCDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000273197850 847271460 /nfs/dbraw/zinc/27/14/60/847271460.db2.gz QXCJNUFMOVHXBG-HNNXBMFYSA-N 1 2 383.448 3.694 20 10 GHCDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccco1 ZINC000375729910 848059532 /nfs/dbraw/zinc/05/95/32/848059532.db2.gz IQOWAEBTTMZGMK-GOSISDBHSA-N 1 2 384.388 3.790 20 10 GHCDLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)[C@@]12CCCO2 ZINC000760882761 856214769 /nfs/dbraw/zinc/21/47/69/856214769.db2.gz ZTYLRSZAPHTGEE-WTIJQPERSA-N 1 2 388.277 3.671 20 10 GHCDLO O=C(C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761117742 858556846 /nfs/dbraw/zinc/55/68/46/858556846.db2.gz MPRIHGIXYZHYTQ-HXUWFJFHSA-N 1 2 391.475 3.737 20 10 GHCDLO O=C(C[N@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761117742 858556851 /nfs/dbraw/zinc/55/68/51/858556851.db2.gz MPRIHGIXYZHYTQ-HXUWFJFHSA-N 1 2 391.475 3.737 20 10 GHCDLO OCC1([C@H]([NH2+]Cc2cc(Br)cc(F)c2O)c2ccncc2)CCC1 ZINC000895359065 859257854 /nfs/dbraw/zinc/25/78/54/859257854.db2.gz MDBXCKYNPIHABV-QGZVFWFLSA-N 1 2 395.272 3.682 20 10 GHCDLO Fc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302776457 865917781 /nfs/dbraw/zinc/91/77/81/865917781.db2.gz FOPFGMDUVPSDMO-UHFFFAOYSA-N 1 2 395.507 3.944 20 10 GHCDLO Fc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302776457 865917787 /nfs/dbraw/zinc/91/77/87/865917787.db2.gz FOPFGMDUVPSDMO-UHFFFAOYSA-N 1 2 395.507 3.944 20 10 GHCDLO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cc(Br)cc(Cl)c1O ZINC000793576813 882282592 /nfs/dbraw/zinc/28/25/92/882282592.db2.gz ZDEAIUCEBKYCGW-CHIMOYNISA-N 1 2 394.737 3.617 20 10 GHCDLO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001169581823 871676163 /nfs/dbraw/zinc/67/61/63/871676163.db2.gz JTCDIDDKFHIHKA-VBKZILBWSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001169581823 871676179 /nfs/dbraw/zinc/67/61/79/871676179.db2.gz JTCDIDDKFHIHKA-VBKZILBWSA-N 1 2 376.456 3.521 20 10 GHCDLO Cn1c[nH+]cc1-c1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001194916419 872029228 /nfs/dbraw/zinc/02/92/28/872029228.db2.gz AXIYUVQKOPBONM-UHFFFAOYSA-N 1 2 392.846 3.924 20 10 GHCDLO Cc1cc(Br)cc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1O ZINC000775663911 872480143 /nfs/dbraw/zinc/48/01/43/872480143.db2.gz HIPZHHPKODVODU-UHFFFAOYSA-N 1 2 395.341 3.688 20 10 GHCDLO COc1c(C)c[nH+]c(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1C ZINC000102013489 872489087 /nfs/dbraw/zinc/48/90/87/872489087.db2.gz OUXWCFYOEJUFMC-UHFFFAOYSA-N 1 2 395.459 3.918 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1 ZINC000768527788 873361495 /nfs/dbraw/zinc/36/14/95/873361495.db2.gz FFFFJJJURQRHBU-CYBMUJFWSA-N 1 2 396.354 3.798 20 10 GHCDLO O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000769080620 873806148 /nfs/dbraw/zinc/80/61/48/873806148.db2.gz CPOVVARRJJXWEC-CSKARUKUSA-N 1 2 375.428 3.950 20 10 GHCDLO C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(Br)cc(F)c1O ZINC000528015389 873915615 /nfs/dbraw/zinc/91/56/15/873915615.db2.gz LLLYKOXYHUHDIT-LLVKDONJSA-N 1 2 387.293 3.593 20 10 GHCDLO COc1cccc(C[NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)c1O ZINC000770356559 874640934 /nfs/dbraw/zinc/64/09/34/874640934.db2.gz YAEZIPRTYXETBN-UHFFFAOYSA-N 1 2 388.514 3.635 20 10 GHCDLO CC[C@@H]([NH2+]Cc1c(O)cccc1Br)c1nnc2n1CCCCC2 ZINC000858122250 882862651 /nfs/dbraw/zinc/86/26/51/882862651.db2.gz FQJIYPOTFQIOGG-CQSZACIVSA-N 1 2 379.302 3.714 20 10 GHCDLO Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000776220631 875907793 /nfs/dbraw/zinc/90/77/93/875907793.db2.gz XZNFVGJQRPPMPT-INIZCTEOSA-N 1 2 386.839 3.761 20 10 GHCDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cs1 ZINC000093737022 912407494 /nfs/dbraw/zinc/40/74/94/912407494.db2.gz ZTRDSWRPHMGFOK-CQSZACIVSA-N 1 2 395.956 3.917 20 10 GHCDLO Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)n2)cc1 ZINC000789726539 879234868 /nfs/dbraw/zinc/23/48/68/879234868.db2.gz JIHUVBLLNXNNGA-UHFFFAOYSA-N 1 2 387.530 3.981 20 10 GHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2Cl)C1 ZINC000854344524 879741518 /nfs/dbraw/zinc/74/15/18/879741518.db2.gz QBTYPRKFMMBLNU-USXIJHARSA-N 1 2 386.927 3.730 20 10 GHCDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cccc(O)c1O ZINC000790926243 880067775 /nfs/dbraw/zinc/06/77/75/880067775.db2.gz IUUXEGAJZOPKAR-UHFFFAOYSA-N 1 2 395.286 3.799 20 10 GHCDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792164507 880956901 /nfs/dbraw/zinc/95/69/01/880956901.db2.gz JVYYQEWNVHLLAG-CYBMUJFWSA-N 1 2 381.810 3.720 20 10 GHCDLO O=C(C[N@@H+]1CC[C@@H](n2cncn2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000776879511 881035383 /nfs/dbraw/zinc/03/53/83/881035383.db2.gz SQUCGGPKUNAIJB-LJQANCHMSA-N 1 2 375.436 3.579 20 10 GHCDLO O=C(C[N@H+]1CC[C@@H](n2cncn2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000776879511 881035394 /nfs/dbraw/zinc/03/53/94/881035394.db2.gz SQUCGGPKUNAIJB-LJQANCHMSA-N 1 2 375.436 3.579 20 10 GHCDLO Cc1ccnc(C[NH2+]Cc2cc(Br)cc(Br)c2O)c1 ZINC001183596928 912671609 /nfs/dbraw/zinc/67/16/09/912671609.db2.gz FZRNMIVNAFARSQ-UHFFFAOYSA-N 1 2 386.087 3.910 20 10 GHCDLO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1O ZINC000184955779 883407820 /nfs/dbraw/zinc/40/78/20/883407820.db2.gz HUZOGTRMSHAIPS-LLVKDONJSA-N 1 2 397.292 3.505 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000859181531 883642940 /nfs/dbraw/zinc/64/29/40/883642940.db2.gz OKDASSLVCSGOIH-LJQANCHMSA-N 1 2 376.460 3.580 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685730 884212723 /nfs/dbraw/zinc/21/27/23/884212723.db2.gz BWISFPFGCIFGQK-UHFFFAOYSA-N 1 2 392.834 3.628 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685730 884212742 /nfs/dbraw/zinc/21/27/42/884212742.db2.gz BWISFPFGCIFGQK-UHFFFAOYSA-N 1 2 392.834 3.628 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000860043093 884285370 /nfs/dbraw/zinc/28/53/70/884285370.db2.gz NWULWVASKABUEB-OPAMFIHVSA-N 1 2 390.487 3.826 20 10 GHCDLO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc(Cl)c1O ZINC000806146865 884406293 /nfs/dbraw/zinc/40/62/93/884406293.db2.gz RKOMDKKJKPJBCP-MOPGFXCFSA-N 1 2 388.895 3.896 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000861349305 885422267 /nfs/dbraw/zinc/42/22/67/885422267.db2.gz JXABIDXHIKAWKR-IBGZPJMESA-N 1 2 390.487 3.660 20 10 GHCDLO COc1cc(N2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)cc(OC)c1OC ZINC000777222893 885899246 /nfs/dbraw/zinc/89/92/46/885899246.db2.gz TZUYRNWIWRQJFI-UHFFFAOYSA-N 1 2 394.874 3.827 20 10 GHCDLO CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000762648107 886615132 /nfs/dbraw/zinc/61/51/32/886615132.db2.gz GYRAIGCHOWSUOQ-RHSMWYFYSA-N 1 2 385.346 3.696 20 10 GHCDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1cc(Br)ccc1O ZINC000809689656 887707970 /nfs/dbraw/zinc/70/79/70/887707970.db2.gz SVESPTJOPPRGRJ-UHFFFAOYSA-N 1 2 380.267 3.898 20 10 GHCDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1cc(Br)ccc1O ZINC000809689656 887707984 /nfs/dbraw/zinc/70/79/84/887707984.db2.gz SVESPTJOPPRGRJ-UHFFFAOYSA-N 1 2 380.267 3.898 20 10 GHCDLO CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1O ZINC000287738990 913513715 /nfs/dbraw/zinc/51/37/15/913513715.db2.gz POOBXHZWXKMEFP-SFHVURJKSA-N 1 2 394.924 3.826 20 10 GHCDLO COc1c(O)c(C[N@H+](C)Cc2cc(Br)ccc2F)ccc1[N+](=O)[O-] ZINC000774836661 913704991 /nfs/dbraw/zinc/70/49/91/913704991.db2.gz UQYSBMCEAIORHZ-UHFFFAOYSA-N 1 2 399.216 3.843 20 10 GHCDLO COc1c(O)c(C[N@@H+](C)Cc2cc(Br)ccc2F)ccc1[N+](=O)[O-] ZINC000774836661 913705003 /nfs/dbraw/zinc/70/50/03/913705003.db2.gz UQYSBMCEAIORHZ-UHFFFAOYSA-N 1 2 399.216 3.843 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774841869 913733156 /nfs/dbraw/zinc/73/31/56/913733156.db2.gz QLEUFRJHPDDPKP-IBGZPJMESA-N 1 2 379.416 3.716 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774841869 913733173 /nfs/dbraw/zinc/73/31/73/913733173.db2.gz QLEUFRJHPDDPKP-IBGZPJMESA-N 1 2 379.416 3.716 20 10 GHCDLO COc1c(O)c(C[N@@H+]2CCc3c(Br)cccc3C2)ccc1[N+](=O)[O-] ZINC000774871200 913846411 /nfs/dbraw/zinc/84/64/11/913846411.db2.gz WJATTZTZMNFGHN-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO COc1c(O)c(C[N@H+]2CCc3c(Br)cccc3C2)ccc1[N+](=O)[O-] ZINC000774871200 913846423 /nfs/dbraw/zinc/84/64/23/913846423.db2.gz WJATTZTZMNFGHN-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO CC(C)c1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000028836206 897932063 /nfs/dbraw/zinc/93/20/63/897932063.db2.gz RPPOOQYXOHTNMZ-JXAWBTAJSA-N 1 2 390.574 3.734 20 10 GHCDLO COc1cc(O)c(C[NH2+][C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000289733932 914319910 /nfs/dbraw/zinc/31/99/10/914319910.db2.gz PAHITOBVNAFPSQ-LLVKDONJSA-N 1 2 389.839 3.964 20 10 GHCDLO c1c(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)nc2ccccn12 ZINC001136884041 899635334 /nfs/dbraw/zinc/63/53/34/899635334.db2.gz QVBGEZPJBIGMGN-UHFFFAOYSA-N 1 2 399.498 3.631 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C1(CF)CCOCC1 ZINC000824690401 899768508 /nfs/dbraw/zinc/76/85/08/899768508.db2.gz DCGIBHZKVYWZGA-UHFFFAOYSA-N 1 2 397.082 3.526 20 10 GHCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000844400697 900797777 /nfs/dbraw/zinc/79/77/77/900797777.db2.gz GWYJEOSNGSAFFV-UHFFFAOYSA-N 1 2 386.883 3.566 20 10 GHCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000844400697 900797790 /nfs/dbraw/zinc/79/77/90/900797790.db2.gz GWYJEOSNGSAFFV-UHFFFAOYSA-N 1 2 386.883 3.566 20 10 GHCDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)[nH]1 ZINC000773136093 904465657 /nfs/dbraw/zinc/46/56/57/904465657.db2.gz FRAUTRGONZXXJN-KBPBESRZSA-N 1 2 377.920 3.830 20 10 GHCDLO COc1ccc(C[NH+]2CCN(C)CC2)cc1NCc1cc2ccccc2cc1O ZINC001171406596 904517986 /nfs/dbraw/zinc/51/79/86/904517986.db2.gz AEQOZXVGROJDKD-UHFFFAOYSA-N 1 2 391.515 3.914 20 10 GHCDLO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000184960385 907687220 /nfs/dbraw/zinc/68/72/20/907687220.db2.gz AHRUWZWANJAIFS-LHSJRXKWSA-N 1 2 397.475 3.592 20 10 GHCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001177911223 908798279 /nfs/dbraw/zinc/79/82/79/908798279.db2.gz HLKBQPUKUHNVGB-APWZRJJASA-N 1 2 395.330 3.672 20 10 GHCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001177911223 908798287 /nfs/dbraw/zinc/79/82/87/908798287.db2.gz HLKBQPUKUHNVGB-APWZRJJASA-N 1 2 395.330 3.672 20 10 GHCDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC001180293012 910076247 /nfs/dbraw/zinc/07/62/47/910076247.db2.gz UIHBWDARVZOUCJ-UHFFFAOYSA-N 1 2 377.868 3.662 20 10 GHCDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC001180293012 910076263 /nfs/dbraw/zinc/07/62/63/910076263.db2.gz UIHBWDARVZOUCJ-UHFFFAOYSA-N 1 2 377.868 3.662 20 10 GHCDLO CCOc1ccc(-c2cn(C3C[NH+](Cc4ccc(Cl)cc4O)C3)nn2)cc1 ZINC001180622907 910252695 /nfs/dbraw/zinc/25/26/95/910252695.db2.gz KPYRVACVBFMWAB-UHFFFAOYSA-N 1 2 384.867 3.760 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001180787900 910341850 /nfs/dbraw/zinc/34/18/50/910341850.db2.gz RMMHVXGIQFJFBN-QWHCGFSZSA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC001180787900 910341862 /nfs/dbraw/zinc/34/18/62/910341862.db2.gz RMMHVXGIQFJFBN-QWHCGFSZSA-N 1 2 384.904 3.884 20 10 GHCDLO COc1ccc(N2CCC(Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)[nH+]c3)CC2)cc1 ZINC001181348663 910741173 /nfs/dbraw/zinc/74/11/73/910741173.db2.gz HVNPARUBFCVLTO-QZTJIDSGSA-N 1 2 396.535 3.785 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000092593536 911638055 /nfs/dbraw/zinc/63/80/55/911638055.db2.gz PEKVJXPBDWSUPC-CQSZACIVSA-N 1 2 384.295 3.798 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000092593536 911638064 /nfs/dbraw/zinc/63/80/64/911638064.db2.gz PEKVJXPBDWSUPC-CQSZACIVSA-N 1 2 384.295 3.798 20 10 GHCDLO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(Br)c2O)cc1O ZINC000775152681 915599491 /nfs/dbraw/zinc/59/94/91/915599491.db2.gz OTSJAPATOXIUKB-GFCCVEGCSA-N 1 2 380.282 3.980 20 10 GHCDLO Cc1ccccc1Cc1noc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775255721 916664271 /nfs/dbraw/zinc/66/42/71/916664271.db2.gz OXVSHPWAEYRZQY-GOSISDBHSA-N 1 2 392.503 3.656 20 10 GHCDLO O=C(NCc1ccccc1O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000748461396 923671184 /nfs/dbraw/zinc/67/11/84/923671184.db2.gz XFAJLBDPDQXCHD-KRWDZBQOSA-N 1 2 391.874 3.821 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000750047288 927404069 /nfs/dbraw/zinc/40/40/69/927404069.db2.gz MKKNSOROBBBEFJ-YVEFUNNKSA-N 1 2 396.915 3.983 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000750047288 927404073 /nfs/dbraw/zinc/40/40/73/927404073.db2.gz MKKNSOROBBBEFJ-YVEFUNNKSA-N 1 2 396.915 3.983 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000753536697 929396630 /nfs/dbraw/zinc/39/66/30/929396630.db2.gz IZOAKHYADFBPNH-UHFFFAOYSA-N 1 2 380.410 3.651 20 10 GHCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000780789596 930599102 /nfs/dbraw/zinc/59/91/02/930599102.db2.gz IDIIUMPLWOJZOO-HNNXBMFYSA-N 1 2 390.821 3.687 20 10 GHCDLO C[C@@H]1CN(C2CCOCC2)CC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000782914739 931365176 /nfs/dbraw/zinc/36/51/76/931365176.db2.gz XHFZPEMHAICXBY-MRXNPFEDSA-N 1 2 384.520 3.702 20 10 GHCDLO C[C@@H]1CN(C2CCOCC2)CC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000782914739 931365187 /nfs/dbraw/zinc/36/51/87/931365187.db2.gz XHFZPEMHAICXBY-MRXNPFEDSA-N 1 2 384.520 3.702 20 10 GHCDLO CN1CCCc2cc(CNC(=O)N3CCC(CCCn4cc[nH+]c4)CC3)ccc21 ZINC000783202013 931457810 /nfs/dbraw/zinc/45/78/10/931457810.db2.gz IFWXGDZPMSUKTL-UHFFFAOYSA-N 1 2 395.551 3.668 20 10 GHCDLO C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1cc(Br)c(F)cc1O ZINC000927122980 932422145 /nfs/dbraw/zinc/42/21/45/932422145.db2.gz YPNOVIUSEGOKIJ-MRVPVSSYSA-N 1 2 387.274 3.674 20 10 GHCDLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140288037 1021323153 /nfs/dbraw/zinc/32/31/53/1021323153.db2.gz IAQKOPPVVNWILJ-IBGZPJMESA-N 1 2 397.538 3.666 20 10 GHCDLO CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140462417 1021754408 /nfs/dbraw/zinc/75/44/08/1021754408.db2.gz GEBRANSJBJBRDQ-UHFFFAOYSA-N 1 2 375.900 3.747 20 10 GHCDLO CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140462417 1021754418 /nfs/dbraw/zinc/75/44/18/1021754418.db2.gz GEBRANSJBJBRDQ-UHFFFAOYSA-N 1 2 375.900 3.747 20 10 GHCDLO C[N@H+](Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)Cc1ccccc1O ZINC000835025826 1021782348 /nfs/dbraw/zinc/78/23/48/1021782348.db2.gz NVEZTFZRABVSGZ-UHFFFAOYSA-N 1 2 389.521 3.774 20 10 GHCDLO C[N@@H+](Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)Cc1ccccc1O ZINC000835025826 1021782366 /nfs/dbraw/zinc/78/23/66/1021782366.db2.gz NVEZTFZRABVSGZ-UHFFFAOYSA-N 1 2 389.521 3.774 20 10 GHCDLO COc1ccccc1[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1nccn1C ZINC000835037703 1021794523 /nfs/dbraw/zinc/79/45/23/1021794523.db2.gz VUQHVCCBIHZACV-KOIKXXGWSA-N 1 2 376.504 3.887 20 10 GHCDLO CCN1CC[C@@]2(C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001140580693 1022000927 /nfs/dbraw/zinc/00/09/27/1022000927.db2.gz ISKAWUGBFRYEMP-GCJKJVERSA-N 1 2 386.442 3.508 20 10 GHCDLO CCN1CC[C@@]2(C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001140580693 1022000937 /nfs/dbraw/zinc/00/09/37/1022000937.db2.gz ISKAWUGBFRYEMP-GCJKJVERSA-N 1 2 386.442 3.508 20 10 GHCDLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cc(Br)c(F)cc1O ZINC000756404294 1023630883 /nfs/dbraw/zinc/63/08/83/1023630883.db2.gz UNOROPNBWIDABL-NSHDSACASA-N 1 2 391.244 3.725 20 10 GHCDLO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)c1 ZINC000756461531 1023664749 /nfs/dbraw/zinc/66/47/49/1023664749.db2.gz UCPMBQSLUFZGCT-LBPRGKRZSA-N 1 2 395.272 3.683 20 10 GHCDLO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Br)c(F)cc1O ZINC000756503140 1023686427 /nfs/dbraw/zinc/68/64/27/1023686427.db2.gz LAFMTIDPHQVEET-VIFPVBQESA-N 1 2 381.236 3.674 20 10 GHCDLO C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756539251 1023704257 /nfs/dbraw/zinc/70/42/57/1023704257.db2.gz KYSLESZBVANZPD-MRVPVSSYSA-N 1 2 396.182 3.903 20 10 GHCDLO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc(F)c1O ZINC000756775301 1023810461 /nfs/dbraw/zinc/81/04/61/1023810461.db2.gz OTXNBYDOTXNBBF-IINYFYTJSA-N 1 2 386.236 3.687 20 10 GHCDLO COC[C@@H]1C[N@H+](Cc2c(C)n(C)c3ccccc23)Cc2nn(CC3CC3)cc21 ZINC001138253905 1024475552 /nfs/dbraw/zinc/47/55/52/1024475552.db2.gz KEGAWIHGLFZHMQ-SFHVURJKSA-N 1 2 378.520 3.839 20 10 GHCDLO COC[C@@H]1C[N@@H+](Cc2c(C)n(C)c3ccccc23)Cc2nn(CC3CC3)cc21 ZINC001138253905 1024475560 /nfs/dbraw/zinc/47/55/60/1024475560.db2.gz KEGAWIHGLFZHMQ-SFHVURJKSA-N 1 2 378.520 3.839 20 10 GHCDLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139126550 1025939071 /nfs/dbraw/zinc/93/90/71/1025939071.db2.gz JZCSKNSSVZCNSC-UHFFFAOYSA-N 1 2 395.455 3.762 20 10 GHCDLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139126550 1025939073 /nfs/dbraw/zinc/93/90/73/1025939073.db2.gz JZCSKNSSVZCNSC-UHFFFAOYSA-N 1 2 395.455 3.762 20 10 GHCDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139128888 1025940190 /nfs/dbraw/zinc/94/01/90/1025940190.db2.gz HTUWFIGAOQMLOC-MRXNPFEDSA-N 1 2 395.455 3.859 20 10 GHCDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139128888 1025940195 /nfs/dbraw/zinc/94/01/95/1025940195.db2.gz HTUWFIGAOQMLOC-MRXNPFEDSA-N 1 2 395.455 3.859 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001139132591 1025944290 /nfs/dbraw/zinc/94/42/90/1025944290.db2.gz XNEKFPXWCITRLK-GASCZTMLSA-N 1 2 399.450 3.837 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001139132591 1025944294 /nfs/dbraw/zinc/94/42/94/1025944294.db2.gz XNEKFPXWCITRLK-GASCZTMLSA-N 1 2 399.450 3.837 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2Cc1c(O)cccc1Br ZINC001140102435 1026882741 /nfs/dbraw/zinc/88/27/41/1026882741.db2.gz QVBLEDYDLBTJFY-STQMWFEESA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2Cc1c(O)cccc1Br ZINC001140102435 1026882749 /nfs/dbraw/zinc/88/27/49/1026882749.db2.gz QVBLEDYDLBTJFY-STQMWFEESA-N 1 2 397.313 3.738 20 10 GHCDLO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(Br)cc(F)c2O)cn1 ZINC001203161725 1027220104 /nfs/dbraw/zinc/22/01/04/1027220104.db2.gz RBJVKHRYKBLILF-BLLLJJGKSA-N 1 2 382.277 3.528 20 10 GHCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)[C@H](C)O1 ZINC001203370396 1027296465 /nfs/dbraw/zinc/29/64/65/1027296465.db2.gz ZKEUCMDJHGALLU-RGNHYFCHSA-N 1 2 379.092 3.573 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@@H+]2Cc1cc(Br)ccc1O ZINC001203639718 1027497719 /nfs/dbraw/zinc/49/77/19/1027497719.db2.gz IRVLPVIBPOUTDT-GJZGRUSLSA-N 1 2 397.313 3.738 20 10 GHCDLO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@H+]2Cc1cc(Br)ccc1O ZINC001203639718 1027497737 /nfs/dbraw/zinc/49/77/37/1027497737.db2.gz IRVLPVIBPOUTDT-GJZGRUSLSA-N 1 2 397.313 3.738 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001203698100 1027541308 /nfs/dbraw/zinc/54/13/08/1027541308.db2.gz GHAOBLLVIXNMSG-CQSZACIVSA-N 1 2 388.664 3.640 20 10 GHCDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461280208 1069478835 /nfs/dbraw/zinc/47/88/35/1069478835.db2.gz IEKQRMNEMJPHPY-VQTJNVASSA-N 1 2 392.902 3.954 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@H](O)C(F)(F)F ZINC001461400819 1069534602 /nfs/dbraw/zinc/53/46/02/1069534602.db2.gz PPXDVNNRPHVECV-KOLCDFICSA-N 1 2 376.600 3.600 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142517178 1029019793 /nfs/dbraw/zinc/01/97/93/1029019793.db2.gz CQEJPSHLSLGNRK-UHFFFAOYSA-N 1 2 396.441 3.791 20 10 GHCDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142517178 1029019807 /nfs/dbraw/zinc/01/98/07/1029019807.db2.gz CQEJPSHLSLGNRK-UHFFFAOYSA-N 1 2 396.441 3.791 20 10 GHCDLO COC(=O)[C@@H]1C[C@H](Oc2ccc3ccccc3c2/N=N/c2ccccn2)C[NH2+]1 ZINC001218178164 1030807835 /nfs/dbraw/zinc/80/78/35/1030807835.db2.gz PJQIUYNFOGDJBH-SLGDBFPPSA-N 1 2 376.416 3.933 20 10 GHCDLO COC(=O)[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C1CCCCC1 ZINC001207501267 1034407082 /nfs/dbraw/zinc/40/70/82/1034407082.db2.gz CACMXGQNNMJGQE-CQSZACIVSA-N 1 2 388.277 3.753 20 10 GHCDLO Oc1cccc(F)c1C[NH2+]Cc1c(F)ccc(I)c1F ZINC001207621301 1034493178 /nfs/dbraw/zinc/49/31/78/1034493178.db2.gz DLTSCXBQQZTYLG-UHFFFAOYSA-N 1 2 393.146 3.704 20 10 GHCDLO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231910007 1034984288 /nfs/dbraw/zinc/98/42/88/1034984288.db2.gz JCVIDKQWZMUOGR-UHFFFAOYSA-N 1 2 385.895 3.569 20 10 GHCDLO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccc(Cl)c2O)cs1 ZINC001231909534 1034984393 /nfs/dbraw/zinc/98/43/93/1034984393.db2.gz BYPAKWMGEWUHGX-IAGOWNOFSA-N 1 2 391.924 3.576 20 10 GHCDLO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccc(Cl)c2O)cs1 ZINC001231909534 1034984398 /nfs/dbraw/zinc/98/43/98/1034984398.db2.gz BYPAKWMGEWUHGX-IAGOWNOFSA-N 1 2 391.924 3.576 20 10 GHCDLO COCC[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231912839 1034987026 /nfs/dbraw/zinc/98/70/26/1034987026.db2.gz BBKQILVNEONDFP-HNNXBMFYSA-N 1 2 384.904 3.503 20 10 GHCDLO COCC[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231912839 1034987029 /nfs/dbraw/zinc/98/70/29/1034987029.db2.gz BBKQILVNEONDFP-HNNXBMFYSA-N 1 2 384.904 3.503 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269048 1037991540 /nfs/dbraw/zinc/99/15/40/1037991540.db2.gz ZRADNESHSGFOGJ-LSDHHAIUSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269048 1037991543 /nfs/dbraw/zinc/99/15/43/1037991543.db2.gz ZRADNESHSGFOGJ-LSDHHAIUSA-N 1 2 382.888 3.638 20 10 GHCDLO CC(C)(C)OC(=O)Nc1ncccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001232542769 1038309336 /nfs/dbraw/zinc/30/93/36/1038309336.db2.gz BMLIPXZZAXVOHW-UHFFFAOYSA-N 1 2 385.464 3.788 20 10 GHCDLO CC(C)(C)OC(=O)Nc1ncccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001232542769 1038309349 /nfs/dbraw/zinc/30/93/49/1038309349.db2.gz BMLIPXZZAXVOHW-UHFFFAOYSA-N 1 2 385.464 3.788 20 10 GHCDLO C[N@H+](CCCC(=O)c1cccnc1)Cc1c(O)cc(Br)cc1F ZINC001233032183 1038786620 /nfs/dbraw/zinc/78/66/20/1038786620.db2.gz VNVCJVUWNCHZSA-UHFFFAOYSA-N 1 2 381.245 3.784 20 10 GHCDLO C[N@@H+](CCCC(=O)c1cccnc1)Cc1c(O)cc(Br)cc1F ZINC001233032183 1038786636 /nfs/dbraw/zinc/78/66/36/1038786636.db2.gz VNVCJVUWNCHZSA-UHFFFAOYSA-N 1 2 381.245 3.784 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)Cc2c1cnn2CC ZINC001233416729 1039271688 /nfs/dbraw/zinc/27/16/88/1039271688.db2.gz TWSGRVQELFIULS-AWEZNQCLSA-N 1 2 383.414 3.763 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)Cc2c1cnn2CC ZINC001233416729 1039271696 /nfs/dbraw/zinc/27/16/96/1039271696.db2.gz TWSGRVQELFIULS-AWEZNQCLSA-N 1 2 383.414 3.763 20 10 GHCDLO CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(Br)c1O)C(C)C ZINC001462384988 1070217366 /nfs/dbraw/zinc/21/73/66/1070217366.db2.gz DDYOQQBESLNLNH-UHFFFAOYSA-N 1 2 378.694 3.972 20 10 GHCDLO CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C(C)C ZINC001462384988 1070217377 /nfs/dbraw/zinc/21/73/77/1070217377.db2.gz DDYOQQBESLNLNH-UHFFFAOYSA-N 1 2 378.694 3.972 20 10 GHCDLO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001277833444 1039873214 /nfs/dbraw/zinc/87/32/14/1039873214.db2.gz IYKIPZRBKTUUGC-HIFRSBDPSA-N 1 2 380.916 3.571 20 10 GHCDLO CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277834589 1039876922 /nfs/dbraw/zinc/87/69/22/1039876922.db2.gz RATKZTMVZJQNNK-FQEVSTJZSA-N 1 2 380.916 3.811 20 10 GHCDLO CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277834589 1039876948 /nfs/dbraw/zinc/87/69/48/1039876948.db2.gz RATKZTMVZJQNNK-FQEVSTJZSA-N 1 2 380.916 3.811 20 10 GHCDLO O=c1cc[nH]c2cc(C[NH2+]Cc3cc(Cl)cc(Br)c3O)ccc12 ZINC001462416347 1070239333 /nfs/dbraw/zinc/23/93/33/1070239333.db2.gz JDPFEVRSDLXUOD-UHFFFAOYSA-N 1 2 393.668 3.939 20 10 GHCDLO CC(C)(C)[NH+]1CCC(Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)CC1 ZINC001234753844 1040282694 /nfs/dbraw/zinc/28/26/94/1040282694.db2.gz RWLQSAGQBYPHCM-UHFFFAOYSA-N 1 2 399.443 3.705 20 10 GHCDLO C[N@@H+]1CCN(Cc2cc(Br)cc(F)c2O)[C@@H](c2ccccc2)C1 ZINC001235057759 1040548609 /nfs/dbraw/zinc/54/86/09/1040548609.db2.gz SJICYZYTTCRLCF-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO C[N@H+]1CCN(Cc2cc(Br)cc(F)c2O)[C@@H](c2ccccc2)C1 ZINC001235057759 1040548623 /nfs/dbraw/zinc/54/86/23/1040548623.db2.gz SJICYZYTTCRLCF-QGZVFWFLSA-N 1 2 379.273 3.783 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001235064545 1040552243 /nfs/dbraw/zinc/55/22/43/1040552243.db2.gz HHDCINQMGAOOND-UHFFFAOYSA-N 1 2 381.245 3.732 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235067179 1040557947 /nfs/dbraw/zinc/55/79/47/1040557947.db2.gz ROXFWMICXHSWDE-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235067179 1040557965 /nfs/dbraw/zinc/55/79/65/1040557965.db2.gz ROXFWMICXHSWDE-LLVKDONJSA-N 1 2 388.277 3.848 20 10 GHCDLO Oc1c(F)cc(Br)cc1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001235073499 1040563595 /nfs/dbraw/zinc/56/35/95/1040563595.db2.gz BGMNCROEAVMBFG-AWEZNQCLSA-N 1 2 393.247 3.599 20 10 GHCDLO Oc1c(Br)cc(F)cc1CN1CC[NH+](CCc2cccs2)CC1 ZINC001235302331 1040774394 /nfs/dbraw/zinc/77/43/94/1040774394.db2.gz PDLRABDUMXHZKV-UHFFFAOYSA-N 1 2 399.329 3.716 20 10 GHCDLO CCc1noc(C2CC[NH+](Cc3cc(F)cc(Br)c3O)CC2)n1 ZINC001235302002 1040776388 /nfs/dbraw/zinc/77/63/88/1040776388.db2.gz IYFQAHSTMZNQEP-UHFFFAOYSA-N 1 2 384.249 3.619 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC(F)F)cc3F)CC2)c(OC)c1 ZINC001236723972 1041857497 /nfs/dbraw/zinc/85/74/97/1041857497.db2.gz WTFNCYZLMHMNBF-UHFFFAOYSA-N 1 2 396.409 3.767 20 10 GHCDLO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001236789385 1041895288 /nfs/dbraw/zinc/89/52/88/1041895288.db2.gz PDWBPZDETFBSRR-LNLFQRSKSA-N 1 2 379.378 3.875 20 10 GHCDLO Oc1ccc(OCc2ccccc2)cc1C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001236789385 1041895291 /nfs/dbraw/zinc/89/52/91/1041895291.db2.gz PDWBPZDETFBSRR-LNLFQRSKSA-N 1 2 379.378 3.875 20 10 GHCDLO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4cc(Cl)c(Cl)cc4O)C[C@H]3O2)n1 ZINC001236790950 1041896936 /nfs/dbraw/zinc/89/69/36/1041896936.db2.gz WTDKSRFAUSOUER-AMKSKSKJSA-N 1 2 384.263 3.743 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2ccc(C)o2)c(Cl)c1 ZINC001236796510 1041900583 /nfs/dbraw/zinc/90/05/83/1041900583.db2.gz WTWSNBVLYPGDHR-RBUKOAKNSA-N 1 2 376.884 3.804 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2ccc(C)o2)c(Cl)c1 ZINC001236796510 1041900584 /nfs/dbraw/zinc/90/05/84/1041900584.db2.gz WTWSNBVLYPGDHR-RBUKOAKNSA-N 1 2 376.884 3.804 20 10 GHCDLO COc1ccc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1Cl ZINC001236801886 1041903830 /nfs/dbraw/zinc/90/38/30/1041903830.db2.gz MXEYTXJPBUBSHP-UHFFFAOYSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1Cl ZINC001236801886 1041903832 /nfs/dbraw/zinc/90/38/32/1041903832.db2.gz MXEYTXJPBUBSHP-UHFFFAOYSA-N 1 2 384.904 3.886 20 10 GHCDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c(O)c1Cl ZINC001236810254 1041910632 /nfs/dbraw/zinc/91/06/32/1041910632.db2.gz QHUDUTINBNYUDF-MRXNPFEDSA-N 1 2 392.858 3.588 20 10 GHCDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c(O)c1Cl ZINC001236810254 1041910635 /nfs/dbraw/zinc/91/06/35/1041910635.db2.gz QHUDUTINBNYUDF-MRXNPFEDSA-N 1 2 392.858 3.588 20 10 GHCDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)c(O)c1Cl ZINC001236812254 1041912167 /nfs/dbraw/zinc/91/21/67/1041912167.db2.gz UIIBLEKIJRXZIX-OCCSQVGLSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)c(O)c1Cl ZINC001236812254 1041912169 /nfs/dbraw/zinc/91/21/69/1041912169.db2.gz UIIBLEKIJRXZIX-OCCSQVGLSA-N 1 2 384.904 3.932 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(Br)c1 ZINC001237072164 1042022471 /nfs/dbraw/zinc/02/24/71/1042022471.db2.gz DJCHVMJVXGWODK-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCO[C@H](c3ccccc3)C2)c(Br)c1 ZINC001237072164 1042022482 /nfs/dbraw/zinc/02/24/82/1042022482.db2.gz DJCHVMJVXGWODK-SFHVURJKSA-N 1 2 378.266 3.737 20 10 GHCDLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(O)ccc(Cl)c3Cl)O2)n1 ZINC001237079949 1042025022 /nfs/dbraw/zinc/02/50/22/1042025022.db2.gz HRVHSUPQZDNCEQ-YUELXQCFSA-N 1 2 384.263 3.885 20 10 GHCDLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c(O)ccc(Cl)c3Cl)O2)n1 ZINC001237079949 1042025028 /nfs/dbraw/zinc/02/50/28/1042025028.db2.gz HRVHSUPQZDNCEQ-YUELXQCFSA-N 1 2 384.263 3.885 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)Cc2cnn(CC3CC3)c21 ZINC001237121038 1042048616 /nfs/dbraw/zinc/04/86/16/1042048616.db2.gz IEZSGKLRWWSGRK-OAHLLOKOSA-N 1 2 393.890 3.927 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2Cl)Cc2cnn(CC3CC3)c21 ZINC001237121038 1042048620 /nfs/dbraw/zinc/04/86/20/1042048620.db2.gz IEZSGKLRWWSGRK-OAHLLOKOSA-N 1 2 393.890 3.927 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1cc(F)cc(I)c1)CC2 ZINC001237388550 1042184132 /nfs/dbraw/zinc/18/41/32/1042184132.db2.gz PYGZZMITAHPEIQ-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1cc(F)cc(I)c1)CC2 ZINC001237388550 1042184139 /nfs/dbraw/zinc/18/41/39/1042184139.db2.gz PYGZZMITAHPEIQ-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO CO[C@@H](C[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1)c1ccccc1 ZINC001237623063 1042289883 /nfs/dbraw/zinc/28/98/83/1042289883.db2.gz GMQXTIJFSQYQSW-IBGZPJMESA-N 1 2 378.875 3.690 20 10 GHCDLO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(I)c1O)CC2 ZINC001237775090 1042363434 /nfs/dbraw/zinc/36/34/34/1042363434.db2.gz CRULVJHEEMSHJB-UHFFFAOYSA-N 1 2 379.241 3.864 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cncc(OCc4ccccc4)c3)CC2)cc1 ZINC001238372230 1042574437 /nfs/dbraw/zinc/57/44/37/1042574437.db2.gz WWYCWEGXKMQKOO-UHFFFAOYSA-N 1 2 389.499 3.991 20 10 GHCDLO CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001279665032 1047905127 /nfs/dbraw/zinc/90/51/27/1047905127.db2.gz IXCSKGACDMWRMD-UHFFFAOYSA-N 1 2 386.323 3.715 20 10 GHCDLO CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001279665032 1047905130 /nfs/dbraw/zinc/90/51/30/1047905130.db2.gz IXCSKGACDMWRMD-UHFFFAOYSA-N 1 2 386.323 3.715 20 10 GHCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC001308270130 1049932650 /nfs/dbraw/zinc/93/26/50/1049932650.db2.gz WBEMPYXDLQPKOZ-ZDUSSCGKSA-N 1 2 388.336 3.938 20 10 GHCDLO COC(=O)c1c(C[NH+]2CCN(c3ccccc3C)CC2)c2cc(F)ccc2n1C ZINC001308576912 1050016213 /nfs/dbraw/zinc/01/62/13/1050016213.db2.gz LCBYZGROECRUGI-UHFFFAOYSA-N 1 2 395.478 3.735 20 10 GHCDLO NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(Br)c1O ZINC001308655669 1050049756 /nfs/dbraw/zinc/04/97/56/1050049756.db2.gz UAQDPPOAWNDZDV-UHFFFAOYSA-N 1 2 397.700 3.686 20 10 GHCDLO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(Br)c1O ZINC001308655669 1050049760 /nfs/dbraw/zinc/04/97/60/1050049760.db2.gz UAQDPPOAWNDZDV-UHFFFAOYSA-N 1 2 397.700 3.686 20 10 GHCDLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)c(O)c1 ZINC001308719981 1050070801 /nfs/dbraw/zinc/07/08/01/1050070801.db2.gz STVKPAAMTUOKKH-LJQANCHMSA-N 1 2 383.492 3.890 20 10 GHCDLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)c(O)c1 ZINC001308719981 1050070806 /nfs/dbraw/zinc/07/08/06/1050070806.db2.gz STVKPAAMTUOKKH-LJQANCHMSA-N 1 2 383.492 3.890 20 10 GHCDLO O=C(NCC[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1C(F)(F)F ZINC001319831098 1055494428 /nfs/dbraw/zinc/49/44/28/1055494428.db2.gz GFOGWAXLWHTEAT-UHFFFAOYSA-N 1 2 390.764 3.723 20 10 GHCDLO CCOCC[NH+]1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1 ZINC001338865674 1058840576 /nfs/dbraw/zinc/84/05/76/1058840576.db2.gz ZRNSJXNHKBHBPX-UHFFFAOYSA-N 1 2 389.927 3.542 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c1O ZINC001339365641 1059144739 /nfs/dbraw/zinc/14/47/39/1059144739.db2.gz UIGZMCPOFMYAKC-UHFFFAOYSA-N 1 2 391.870 3.957 20 10 GHCDLO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222726 1073871241 /nfs/dbraw/zinc/87/12/41/1073871241.db2.gz IKUMVPJAWHVRAD-LSDHHAIUSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001473222726 1073871243 /nfs/dbraw/zinc/87/12/43/1073871243.db2.gz IKUMVPJAWHVRAD-LSDHHAIUSA-N 1 2 376.456 3.521 20 10 GHCDLO COc1ccc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)cc1Cn1cccn1 ZINC001474039193 1074244770 /nfs/dbraw/zinc/24/47/70/1074244770.db2.gz OEHUADWKENKGFY-UHFFFAOYSA-N 1 2 379.357 3.786 20 10 GHCDLO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001474379001 1074374655 /nfs/dbraw/zinc/37/46/55/1074374655.db2.gz BXGZOXPOWFCPCG-HNNXBMFYSA-N 1 2 398.894 3.974 20 10 GHCDLO CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(Br)c1O)C1CC1 ZINC001474379524 1074376034 /nfs/dbraw/zinc/37/60/34/1074376034.db2.gz WIKMIUPFQWWPIP-UHFFFAOYSA-N 1 2 376.678 3.726 20 10 GHCDLO CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C1CC1 ZINC001474379524 1074376043 /nfs/dbraw/zinc/37/60/43/1074376043.db2.gz WIKMIUPFQWWPIP-UHFFFAOYSA-N 1 2 376.678 3.726 20 10 GHCDLO COC(=O)[C@@](C)(C[NH2+]Cc1cc(Br)cc(F)c1O)c1ccccc1 ZINC001474447049 1074410026 /nfs/dbraw/zinc/41/00/26/1074410026.db2.gz URXMGPJSJFCNSK-SFHVURJKSA-N 1 2 396.256 3.514 20 10 GHCDLO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(C)n1-c1ccccc1C ZINC000732127551 862080567 /nfs/dbraw/zinc/08/05/67/862080567.db2.gz KHARYZVHLYWAOZ-OAQYLSRUSA-N 1 2 395.547 3.729 20 10 GHCDLO CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc(Cl)c1O ZINC000287811230 852407842 /nfs/dbraw/zinc/40/78/42/852407842.db2.gz USKSSELXUUCKHE-PXAZEXFGSA-N 1 2 382.913 3.756 20 10 GHCDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000761197183 859063239 /nfs/dbraw/zinc/06/32/39/859063239.db2.gz ARBHKWUCEBTVRR-KRWDZBQOSA-N 1 2 377.868 3.660 20 10 GHCDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000761197183 859063249 /nfs/dbraw/zinc/06/32/49/859063249.db2.gz ARBHKWUCEBTVRR-KRWDZBQOSA-N 1 2 377.868 3.660 20 10 GHCDLO COc1cc(N2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)cc(OC)c1OC ZINC000183698381 867290394 /nfs/dbraw/zinc/29/03/94/867290394.db2.gz ZPKFSEQDNLRSCO-OAHLLOKOSA-N 1 2 397.475 3.737 20 10 GHCDLO CN(C)c1ccc(C[N@H+](CCO)Cc2cccnc2Cl)c(C(F)(F)F)c1 ZINC000793365874 882131002 /nfs/dbraw/zinc/13/10/02/882131002.db2.gz LPTSATGYCWHIOC-UHFFFAOYSA-N 1 2 387.833 3.814 20 10 GHCDLO CN(C)c1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)c(C(F)(F)F)c1 ZINC000793365874 882131003 /nfs/dbraw/zinc/13/10/03/882131003.db2.gz LPTSATGYCWHIOC-UHFFFAOYSA-N 1 2 387.833 3.814 20 10 GHCDLO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000743347719 868131112 /nfs/dbraw/zinc/13/11/12/868131112.db2.gz AASZWRZRJQONLR-UHFFFAOYSA-N 1 2 381.476 3.589 20 10 GHCDLO CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000743347719 868131119 /nfs/dbraw/zinc/13/11/19/868131119.db2.gz AASZWRZRJQONLR-UHFFFAOYSA-N 1 2 381.476 3.589 20 10 GHCDLO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775647654 872322225 /nfs/dbraw/zinc/32/22/25/872322225.db2.gz XFSMWRLMIOHTFY-UHFFFAOYSA-N 1 2 376.859 3.713 20 10 GHCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000775657480 872390708 /nfs/dbraw/zinc/39/07/08/872390708.db2.gz BMIFSCNHKKRDCJ-AWEZNQCLSA-N 1 2 389.801 3.936 20 10 GHCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000775657480 872390729 /nfs/dbraw/zinc/39/07/29/872390729.db2.gz BMIFSCNHKKRDCJ-AWEZNQCLSA-N 1 2 389.801 3.936 20 10 GHCDLO Cc1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(C)c[nH+]1 ZINC000767945470 872975407 /nfs/dbraw/zinc/97/54/07/872975407.db2.gz FOVVKVKSLNINLE-UHFFFAOYSA-N 1 2 390.434 3.512 20 10 GHCDLO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC000775733625 873256670 /nfs/dbraw/zinc/25/66/70/873256670.db2.gz WIDWRQPWHGCERM-UHFFFAOYSA-N 1 2 395.858 3.811 20 10 GHCDLO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC000775733625 873256677 /nfs/dbraw/zinc/25/66/77/873256677.db2.gz WIDWRQPWHGCERM-UHFFFAOYSA-N 1 2 395.858 3.811 20 10 GHCDLO COc1cc(OC)cc(N2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)CC2)c1 ZINC000775734736 873293572 /nfs/dbraw/zinc/29/35/72/873293572.db2.gz YPMBTIZQQBGKTO-UHFFFAOYSA-N 1 2 394.874 3.914 20 10 GHCDLO COc1cc(OC)cc(N2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)CC2)c1 ZINC000775734736 873293581 /nfs/dbraw/zinc/29/35/81/873293581.db2.gz YPMBTIZQQBGKTO-UHFFFAOYSA-N 1 2 394.874 3.914 20 10 GHCDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc(Br)c1O ZINC000769380363 874008959 /nfs/dbraw/zinc/00/89/59/874008959.db2.gz UZCJISFWGISUEM-KRWDZBQOSA-N 1 2 392.293 3.761 20 10 GHCDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(Br)c1O ZINC000769380363 874008971 /nfs/dbraw/zinc/00/89/71/874008971.db2.gz UZCJISFWGISUEM-KRWDZBQOSA-N 1 2 392.293 3.761 20 10 GHCDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)c1O ZINC000769472933 874092863 /nfs/dbraw/zinc/09/28/63/874092863.db2.gz LDOLHXAABSUACA-UHFFFAOYSA-N 1 2 386.473 3.557 20 10 GHCDLO CO[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000769551457 874154568 /nfs/dbraw/zinc/15/45/68/874154568.db2.gz MYNZJPZZNNAFLL-VQTJNVASSA-N 1 2 392.459 3.845 20 10 GHCDLO CO[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000769551457 874154578 /nfs/dbraw/zinc/15/45/78/874154578.db2.gz MYNZJPZZNNAFLL-VQTJNVASSA-N 1 2 392.459 3.845 20 10 GHCDLO O=C(CCc1ccccc1)N1CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000776007439 875118323 /nfs/dbraw/zinc/11/83/23/875118323.db2.gz LKHHTJONKVVUKR-UHFFFAOYSA-N 1 2 390.886 3.898 20 10 GHCDLO Cc1cc(C(=O)C[N@H+](C)CCc2cnccn2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000771463813 875258026 /nfs/dbraw/zinc/25/80/26/875258026.db2.gz LYBZGRPPOSSBRJ-UHFFFAOYSA-N 1 2 388.515 3.730 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+](C)CCc2cnccn2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000771463813 875258044 /nfs/dbraw/zinc/25/80/44/875258044.db2.gz LYBZGRPPOSSBRJ-UHFFFAOYSA-N 1 2 388.515 3.730 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000858320721 883021743 /nfs/dbraw/zinc/02/17/43/883021743.db2.gz GZJRFYGAVKLALM-MJGOQNOKSA-N 1 2 391.874 3.738 20 10 GHCDLO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000858320721 883021758 /nfs/dbraw/zinc/02/17/58/883021758.db2.gz GZJRFYGAVKLALM-MJGOQNOKSA-N 1 2 391.874 3.738 20 10 GHCDLO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(Br)c3O)C2)cc1 ZINC000850346694 876837432 /nfs/dbraw/zinc/83/74/32/876837432.db2.gz WYQJTPOJUIBBAY-CQSZACIVSA-N 1 2 377.282 3.532 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)cc(F)c1O ZINC000850558094 877023841 /nfs/dbraw/zinc/02/38/41/877023841.db2.gz PYCIYAUKSIDSHZ-GHMZBOCLSA-N 1 2 387.293 3.591 20 10 GHCDLO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2O)c(=O)n1C ZINC000786933547 877063990 /nfs/dbraw/zinc/06/39/90/877063990.db2.gz AQSKUXKEQIAKMM-JTQLQIEISA-N 1 2 385.689 3.666 20 10 GHCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(CCc3cccs3)C2=O)c1 ZINC000776726792 879739404 /nfs/dbraw/zinc/73/94/04/879739404.db2.gz NOMOQYJHJDTXEP-XNTDXEJSSA-N 1 2 376.528 3.904 20 10 GHCDLO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cc(Br)c(F)cc1O ZINC000858479371 883130176 /nfs/dbraw/zinc/13/01/76/883130176.db2.gz PVHFUQRVJXCVSJ-VHSXEESVSA-N 1 2 381.236 3.674 20 10 GHCDLO Cc1cc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC000858905579 883445117 /nfs/dbraw/zinc/44/51/17/883445117.db2.gz DUCXNKXMNNCSGJ-SFHVURJKSA-N 1 2 377.492 3.527 20 10 GHCDLO CC[C@H]([NH2+]C[C@@H](CO)Cc1cc(OC)cc(OC)c1)c1cccc(Cl)c1O ZINC000806141049 884400376 /nfs/dbraw/zinc/40/03/76/884400376.db2.gz FCQUPCDHRQZFPI-YWZLYKJASA-N 1 2 393.911 3.955 20 10 GHCDLO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000898218963 884636192 /nfs/dbraw/zinc/63/61/92/884636192.db2.gz UDODODNUXIDTCH-LBPRGKRZSA-N 1 2 378.856 3.570 20 10 GHCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000861349442 885422040 /nfs/dbraw/zinc/42/20/40/885422040.db2.gz JXABIDXHIKAWKR-LJQANCHMSA-N 1 2 390.487 3.660 20 10 GHCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1)c1ccc(Cl)cc1 ZINC001184047039 912984782 /nfs/dbraw/zinc/98/47/82/912984782.db2.gz ZMJOIQDXUBWUHW-HNNXBMFYSA-N 1 2 380.822 3.718 20 10 GHCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1)c1ccc(Cl)cc1 ZINC001184047039 912984795 /nfs/dbraw/zinc/98/47/95/912984795.db2.gz ZMJOIQDXUBWUHW-HNNXBMFYSA-N 1 2 380.822 3.718 20 10 GHCDLO Oc1cccc(Br)c1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000862246220 886246824 /nfs/dbraw/zinc/24/68/24/886246824.db2.gz CFHNRWMWEDTIIX-UHFFFAOYSA-N 1 2 396.716 3.521 20 10 GHCDLO CN(C)c1cc(F)c(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1F ZINC000862249290 886251580 /nfs/dbraw/zinc/25/15/80/886251580.db2.gz KFPCILINUCWFNJ-UHFFFAOYSA-N 1 2 387.430 3.546 20 10 GHCDLO CN(C)c1cc(F)c(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1F ZINC000862249290 886251598 /nfs/dbraw/zinc/25/15/98/886251598.db2.gz KFPCILINUCWFNJ-UHFFFAOYSA-N 1 2 387.430 3.546 20 10 GHCDLO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cc(Br)c(F)cc3O)[C@H]2C1 ZINC000808723458 886705768 /nfs/dbraw/zinc/70/57/68/886705768.db2.gz OCRJQIMBTBEZTK-WKTARRMCSA-N 1 2 399.304 3.591 20 10 GHCDLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000915733486 887372730 /nfs/dbraw/zinc/37/27/30/887372730.db2.gz QNHOFKQIVLJJGZ-UHFFFAOYSA-N 1 2 388.431 3.664 20 10 GHCDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809725820 887709354 /nfs/dbraw/zinc/70/93/54/887709354.db2.gz BQIRFZWAVCIDKM-CQSZACIVSA-N 1 2 385.302 3.645 20 10 GHCDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809725820 887709371 /nfs/dbraw/zinc/70/93/71/887709371.db2.gz BQIRFZWAVCIDKM-CQSZACIVSA-N 1 2 385.302 3.645 20 10 GHCDLO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000809708786 887729199 /nfs/dbraw/zinc/72/91/99/887729199.db2.gz HEOKWXNLOOVPEW-UHFFFAOYSA-N 1 2 386.254 3.561 20 10 GHCDLO CC[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O)OC ZINC000810260376 888326037 /nfs/dbraw/zinc/32/60/37/888326037.db2.gz KAEKDKOBKWRMOQ-WCBMZHEXSA-N 1 2 381.108 3.993 20 10 GHCDLO CCN(CC)c1ccc(CN(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000916254865 888857881 /nfs/dbraw/zinc/85/78/81/888857881.db2.gz UDPOTPYDKXQRPI-UHFFFAOYSA-N 1 2 395.551 3.870 20 10 GHCDLO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Br)cc(F)c1O ZINC000866531009 888921230 /nfs/dbraw/zinc/92/12/30/888921230.db2.gz DHTQGKJHWHEEOH-DGCLKSJQSA-N 1 2 388.277 3.530 20 10 GHCDLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)c(C)n1-c1cccc(Br)c1 ZINC000812296385 890545738 /nfs/dbraw/zinc/54/57/38/890545738.db2.gz QDGBJHIGKHCGRJ-UHFFFAOYSA-N 1 2 399.292 3.709 20 10 GHCDLO CCCC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000917110516 891274458 /nfs/dbraw/zinc/27/44/58/891274458.db2.gz WDGVBWKJTQMCPJ-UHFFFAOYSA-N 1 2 395.547 3.966 20 10 GHCDLO CC[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc(Cl)c1O ZINC000287854655 913565684 /nfs/dbraw/zinc/56/56/84/913565684.db2.gz XAWLMPXSUSWZRK-KSSFIOAISA-N 1 2 375.900 3.907 20 10 GHCDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000814171060 892366099 /nfs/dbraw/zinc/36/60/99/892366099.db2.gz JJIKTIWJZMRDJZ-HNNXBMFYSA-N 1 2 392.487 3.561 20 10 GHCDLO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000814171060 892366115 /nfs/dbraw/zinc/36/61/15/892366115.db2.gz JJIKTIWJZMRDJZ-HNNXBMFYSA-N 1 2 392.487 3.561 20 10 GHCDLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)[C@@H]1n1cccn1 ZINC000815661162 894075967 /nfs/dbraw/zinc/07/59/67/894075967.db2.gz VCWNREVOYCAEOH-LTTZEQNMSA-N 1 2 398.276 3.560 20 10 GHCDLO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000816660355 895006208 /nfs/dbraw/zinc/00/62/08/895006208.db2.gz AKMDWQQKPWFEDM-OTYXRUKQSA-N 1 2 393.119 3.558 20 10 GHCDLO CCC[NH2+]CC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817962241 895978066 /nfs/dbraw/zinc/97/80/66/895978066.db2.gz JUVISEIGISLLIP-VIFPVBQESA-N 1 2 380.124 3.567 20 10 GHCDLO Cc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c(N2CCCC2)n1 ZINC000883085131 897270088 /nfs/dbraw/zinc/27/00/88/897270088.db2.gz JQPJMECDMCMDBE-UHFFFAOYSA-N 1 2 394.288 3.887 20 10 GHCDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000820871408 897583102 /nfs/dbraw/zinc/58/31/02/897583102.db2.gz DVGWVPXFZOFHOM-KRWDZBQOSA-N 1 2 393.365 3.904 20 10 GHCDLO C[C@H](c1cccc(NC(=O)NCc2cc(Cl)ccc2O)c1)[NH+]1CCOCC1 ZINC000844530643 900972763 /nfs/dbraw/zinc/97/27/63/900972763.db2.gz HUHDQKXTPGRGMW-CQSZACIVSA-N 1 2 389.883 3.761 20 10 GHCDLO CCC[N@H+](Cc1cc(Br)c(F)cc1O)C1CCN(C(C)=O)CC1 ZINC001144306548 901685879 /nfs/dbraw/zinc/68/58/79/901685879.db2.gz GNVBAWSBHVHOAV-UHFFFAOYSA-N 1 2 387.293 3.517 20 10 GHCDLO CCC[N@@H+](Cc1cc(Br)c(F)cc1O)C1CCN(C(C)=O)CC1 ZINC001144306548 901685888 /nfs/dbraw/zinc/68/58/88/901685888.db2.gz GNVBAWSBHVHOAV-UHFFFAOYSA-N 1 2 387.293 3.517 20 10 GHCDLO CCCN(Cc1ccccc1O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890262644 904969178 /nfs/dbraw/zinc/96/91/78/904969178.db2.gz QNLZOTXLQWVRGN-HXUWFJFHSA-N 1 2 378.476 3.952 20 10 GHCDLO C[C@@H]([NH2+]Cc1noc(Cc2ccc(Br)cc2)n1)c1ccccc1O ZINC001175418593 907542401 /nfs/dbraw/zinc/54/24/01/907542401.db2.gz LWPMVOJIHGNRRN-GFCCVEGCSA-N 1 2 388.265 3.979 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3OC)CC2)c(OC)c1 ZINC001175522220 907599532 /nfs/dbraw/zinc/59/95/32/907599532.db2.gz FAIVTCYTMHSZTK-UHFFFAOYSA-N 1 2 376.884 3.688 20 10 GHCDLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000269127914 910151595 /nfs/dbraw/zinc/15/15/95/910151595.db2.gz YUMSMRDOVQIUOQ-KGLIPLIRSA-N 1 2 379.501 3.677 20 10 GHCDLO COCC1(O)CC[NH+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000270416205 910555597 /nfs/dbraw/zinc/55/55/97/910555597.db2.gz YUZCQDRKBOXMFS-WCWDXBQESA-N 1 2 382.464 3.514 20 10 GHCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCN(Cc3ccccc3)C(=O)C2(C)C)cc1 ZINC001182051537 911158699 /nfs/dbraw/zinc/15/86/99/911158699.db2.gz CHASZDKRYKILKY-DHZHZOJOSA-N 1 2 377.532 3.889 20 10 GHCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCN(Cc3ccccc3)C(=O)C2(C)C)cc1 ZINC001182051537 911158709 /nfs/dbraw/zinc/15/87/09/911158709.db2.gz CHASZDKRYKILKY-DHZHZOJOSA-N 1 2 377.532 3.889 20 10 GHCDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000092149233 911423179 /nfs/dbraw/zinc/42/31/79/911423179.db2.gz DDLUUWSAUNYDTD-UHFFFAOYSA-N 1 2 395.322 3.564 20 10 GHCDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000092149233 911423193 /nfs/dbraw/zinc/42/31/93/911423193.db2.gz DDLUUWSAUNYDTD-UHFFFAOYSA-N 1 2 395.322 3.564 20 10 GHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2Cl)C1 ZINC000800697406 920371351 /nfs/dbraw/zinc/37/13/51/920371351.db2.gz RJLAHONYWGHORX-MRXNPFEDSA-N 1 2 389.931 3.662 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cccc(Cl)c1O ZINC000903424151 923012805 /nfs/dbraw/zinc/01/28/05/923012805.db2.gz MZIQOYQLOOOCBA-QGZVFWFLSA-N 1 2 382.913 3.682 20 10 GHCDLO CC[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cccc(Cl)c1O ZINC000903435564 923026833 /nfs/dbraw/zinc/02/68/33/923026833.db2.gz SADIYVPLRUGYSG-GXFFZTMASA-N 1 2 383.279 3.514 20 10 GHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2Cl)C1 ZINC000374373972 927070092 /nfs/dbraw/zinc/07/00/92/927070092.db2.gz UTYDGYXRALDBFZ-NVXWUHKLSA-N 1 2 386.927 3.652 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2C)cc1 ZINC000751426526 928187470 /nfs/dbraw/zinc/18/74/70/928187470.db2.gz ZPIKKKGRRQSWDV-UHFFFAOYSA-N 1 2 378.476 3.846 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2C)cc1 ZINC000751426526 928187476 /nfs/dbraw/zinc/18/74/76/928187476.db2.gz ZPIKKKGRRQSWDV-UHFFFAOYSA-N 1 2 378.476 3.846 20 10 GHCDLO Cc1cc(CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(C)n1-c1ccccc1 ZINC000751782366 928382731 /nfs/dbraw/zinc/38/27/31/928382731.db2.gz WTJQIDCCBZTMDG-UHFFFAOYSA-N 1 2 391.519 3.949 20 10 GHCDLO Cc1cc(CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C)n1-c1ccccc1 ZINC000751782366 928382741 /nfs/dbraw/zinc/38/27/41/928382741.db2.gz WTJQIDCCBZTMDG-UHFFFAOYSA-N 1 2 391.519 3.949 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000781903019 931020486 /nfs/dbraw/zinc/02/04/86/931020486.db2.gz WEIGBUHVSUCRLC-ZDUSSCGKSA-N 1 2 385.302 3.562 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000781903019 931020495 /nfs/dbraw/zinc/02/04/95/931020495.db2.gz WEIGBUHVSUCRLC-ZDUSSCGKSA-N 1 2 385.302 3.562 20 10 GHCDLO CC[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)[C@H](CC)CN1C(C)=O ZINC000781913344 931024697 /nfs/dbraw/zinc/02/46/97/931024697.db2.gz SJADREJMDFHSGK-HZPDHXFCSA-N 1 2 383.330 3.684 20 10 GHCDLO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)[C@H](CC)CN1C(C)=O ZINC000781913344 931024703 /nfs/dbraw/zinc/02/47/03/931024703.db2.gz SJADREJMDFHSGK-HZPDHXFCSA-N 1 2 383.330 3.684 20 10 GHCDLO CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc(F)cc1O ZINC000796692168 932031794 /nfs/dbraw/zinc/03/17/94/932031794.db2.gz AFMNLAONTSKWMR-JOCHJYFZSA-N 1 2 385.527 3.910 20 10 GHCDLO C[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000927117567 932419952 /nfs/dbraw/zinc/41/99/52/932419952.db2.gz OWTYPQHFRUAMBJ-ZDUSSCGKSA-N 1 2 393.940 3.557 20 10 GHCDLO Cc1ccc([C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000798088781 932525349 /nfs/dbraw/zinc/52/53/49/932525349.db2.gz VHFRHKMGZBQGCR-KPZWWZAWSA-N 1 2 385.888 3.757 20 10 GHCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CCC(c4c[nH+]cn4C)CC3)ccc21 ZINC001121308457 934620748 /nfs/dbraw/zinc/62/07/48/934620748.db2.gz QRLCDTWCBGMGMW-UHFFFAOYSA-N 1 2 394.519 3.658 20 10 GHCDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001137834898 935814049 /nfs/dbraw/zinc/81/40/49/935814049.db2.gz XYXVPUQUFKVUDW-PGRDOPGGSA-N 1 2 386.467 3.514 20 10 GHCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001137834898 935814051 /nfs/dbraw/zinc/81/40/51/935814051.db2.gz XYXVPUQUFKVUDW-PGRDOPGGSA-N 1 2 386.467 3.514 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277232658 1032520970 /nfs/dbraw/zinc/52/09/70/1032520970.db2.gz WPFPKPQFDPQPQC-INIZCTEOSA-N 1 2 376.806 3.565 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277232658 1032520978 /nfs/dbraw/zinc/52/09/78/1032520978.db2.gz WPFPKPQFDPQPQC-INIZCTEOSA-N 1 2 376.806 3.565 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)c1ccccc1 ZINC001140287332 1021319667 /nfs/dbraw/zinc/31/96/67/1021319667.db2.gz PDSFUQVNRAGLFB-LJQANCHMSA-N 1 2 396.531 3.774 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)c1ccccc1 ZINC001140287332 1021319685 /nfs/dbraw/zinc/31/96/85/1021319685.db2.gz PDSFUQVNRAGLFB-LJQANCHMSA-N 1 2 396.531 3.774 20 10 GHCDLO CC[NH+]1CCN(c2ccc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)cc2)CC1 ZINC001140309326 1021368707 /nfs/dbraw/zinc/36/87/07/1021368707.db2.gz BJAZIWXHIMIPIS-UHFFFAOYSA-N 1 2 384.612 3.667 20 10 GHCDLO CC[NH+]1CCN(c2ccc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)cc2)CC1 ZINC001140309326 1021368725 /nfs/dbraw/zinc/36/87/25/1021368725.db2.gz BJAZIWXHIMIPIS-UHFFFAOYSA-N 1 2 384.612 3.667 20 10 GHCDLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(Br)cc1O ZINC000834884809 1021610457 /nfs/dbraw/zinc/61/04/57/1021610457.db2.gz PWHDSLZSYNKSRX-MRVPVSSYSA-N 1 2 389.091 3.502 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140582857 1022003316 /nfs/dbraw/zinc/00/33/16/1022003316.db2.gz NTCBSYHUUORQKM-HXUWFJFHSA-N 1 2 382.451 3.893 20 10 GHCDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140582857 1022003330 /nfs/dbraw/zinc/00/33/30/1022003330.db2.gz NTCBSYHUUORQKM-HXUWFJFHSA-N 1 2 382.451 3.893 20 10 GHCDLO CCn1nnc2c1CC[N@H+](Cc1cc(C)ccc1O)[C@H]2COCc1ccccc1 ZINC001140621450 1022093681 /nfs/dbraw/zinc/09/36/81/1022093681.db2.gz KGBFBHZPHRQGSP-NRFANRHFSA-N 1 2 392.503 3.628 20 10 GHCDLO CCn1nnc2c1CC[N@@H+](Cc1cc(C)ccc1O)[C@H]2COCc1ccccc1 ZINC001140621450 1022093697 /nfs/dbraw/zinc/09/36/97/1022093697.db2.gz KGBFBHZPHRQGSP-NRFANRHFSA-N 1 2 392.503 3.628 20 10 GHCDLO Cc1c(O)ccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1O ZINC001140749611 1022427357 /nfs/dbraw/zinc/42/73/57/1022427357.db2.gz GGLVSOQWXGARIF-GOSISDBHSA-N 1 2 380.410 3.655 20 10 GHCDLO Cc1c(O)ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1O ZINC001140749611 1022427366 /nfs/dbraw/zinc/42/73/66/1022427366.db2.gz GGLVSOQWXGARIF-GOSISDBHSA-N 1 2 380.410 3.655 20 10 GHCDLO COc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(Br)c1 ZINC001140760281 1022460447 /nfs/dbraw/zinc/46/04/47/1022460447.db2.gz CLSGRMUWCDBAEG-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO COc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(Br)c1 ZINC001140760281 1022460453 /nfs/dbraw/zinc/46/04/53/1022460453.db2.gz CLSGRMUWCDBAEG-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO O=c1[nH]c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc2cc(Cl)ccc12 ZINC000756337374 1023595048 /nfs/dbraw/zinc/59/50/48/1023595048.db2.gz WAKNOLLHQFLWQV-INIZCTEOSA-N 1 2 399.878 3.876 20 10 GHCDLO O=c1[nH]c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc2cc(Cl)ccc12 ZINC000756337374 1023595057 /nfs/dbraw/zinc/59/50/57/1023595057.db2.gz WAKNOLLHQFLWQV-INIZCTEOSA-N 1 2 399.878 3.876 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc(Br)cc(F)c1O ZINC000756350776 1023601565 /nfs/dbraw/zinc/60/15/65/1023601565.db2.gz FTKVVEBBSNHHEE-ZYHUDNBSSA-N 1 2 382.229 3.784 20 10 GHCDLO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C2 ZINC000756395080 1023626663 /nfs/dbraw/zinc/62/66/63/1023626663.db2.gz GPSIYLNKEUQLKZ-JOYOIKCWSA-N 1 2 380.261 3.600 20 10 GHCDLO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)c1 ZINC000756604649 1023734487 /nfs/dbraw/zinc/73/44/87/1023734487.db2.gz NYGUNZMUDMHJKN-NSHDSACASA-N 1 2 395.272 3.547 20 10 GHCDLO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756713183 1023784970 /nfs/dbraw/zinc/78/49/70/1023784970.db2.gz VWKWQEAQEYGLMG-ZUZCIYMTSA-N 1 2 384.245 3.687 20 10 GHCDLO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Br)cc(Cl)c1O ZINC000756784615 1023815108 /nfs/dbraw/zinc/81/51/08/1023815108.db2.gz PJDYRIUXSIJDSE-KSBSHMNSSA-N 1 2 376.600 3.772 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC001204915800 1033164243 /nfs/dbraw/zinc/16/42/43/1033164243.db2.gz MBOPHLMULXJFED-BETUJISGSA-N 1 2 384.904 3.884 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC001204915800 1033164250 /nfs/dbraw/zinc/16/42/50/1033164250.db2.gz MBOPHLMULXJFED-BETUJISGSA-N 1 2 384.904 3.884 20 10 GHCDLO Cn1cc2c(n1)C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C[C@@H]2COCC1CC1 ZINC001138216596 1024385664 /nfs/dbraw/zinc/38/56/64/1024385664.db2.gz CSGKAUZUCNSNFI-OAQYLSRUSA-N 1 2 394.563 3.936 20 10 GHCDLO Cn1cc2c(n1)C[N@H+](Cc1ccc(N3CCCCC3)cc1)C[C@@H]2COCC1CC1 ZINC001138216596 1024385681 /nfs/dbraw/zinc/38/56/81/1024385681.db2.gz CSGKAUZUCNSNFI-OAQYLSRUSA-N 1 2 394.563 3.936 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+]2Cc3nn(CC)cc3[C@H](COC)C2)c(OC)c1 ZINC001138386214 1024758137 /nfs/dbraw/zinc/75/81/37/1024758137.db2.gz JTXKJWRBTWJWFO-SFHVURJKSA-N 1 2 386.540 3.504 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+]2Cc3nn(CC)cc3[C@H](COC)C2)c(OC)c1 ZINC001138386214 1024758148 /nfs/dbraw/zinc/75/81/48/1024758148.db2.gz JTXKJWRBTWJWFO-SFHVURJKSA-N 1 2 386.540 3.504 20 10 GHCDLO CCN(C(C)=O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141375232 1024769103 /nfs/dbraw/zinc/76/91/03/1024769103.db2.gz ZUSUYFDYKLVAAA-UHFFFAOYSA-N 1 2 389.721 3.641 20 10 GHCDLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141376746 1024773519 /nfs/dbraw/zinc/77/35/19/1024773519.db2.gz CBZWPTJKBGFFCK-NSHDSACASA-N 1 2 390.705 3.973 20 10 GHCDLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141376746 1024773532 /nfs/dbraw/zinc/77/35/32/1024773532.db2.gz CBZWPTJKBGFFCK-NSHDSACASA-N 1 2 390.705 3.973 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)c(C)c1 ZINC001138564449 1025032994 /nfs/dbraw/zinc/03/29/94/1025032994.db2.gz BHQVGGPYHFIHOB-UHFFFAOYSA-N 1 2 376.504 3.571 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CCCc3c(cnn3C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000839625042 1026130284 /nfs/dbraw/zinc/13/02/84/1026130284.db2.gz LOZUKHAHICXUBV-UHFFFAOYSA-N 1 2 397.910 3.507 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CCCc3c(cnn3C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000839625042 1026130291 /nfs/dbraw/zinc/13/02/91/1026130291.db2.gz LOZUKHAHICXUBV-UHFFFAOYSA-N 1 2 397.910 3.507 20 10 GHCDLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001166817298 1027093845 /nfs/dbraw/zinc/09/38/45/1027093845.db2.gz BQIQARRZXHUCHG-VMPITWQZSA-N 1 2 391.471 3.639 20 10 GHCDLO COc1cccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1O ZINC001203601713 1027465139 /nfs/dbraw/zinc/46/51/39/1027465139.db2.gz HXMYNKVNVWRBKU-SFHVURJKSA-N 1 2 380.410 3.650 20 10 GHCDLO COc1cccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1O ZINC001203601713 1027465142 /nfs/dbraw/zinc/46/51/42/1027465142.db2.gz HXMYNKVNVWRBKU-SFHVURJKSA-N 1 2 380.410 3.650 20 10 GHCDLO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(Br)cc(F)c1O ZINC000840879345 1027916407 /nfs/dbraw/zinc/91/64/07/1027916407.db2.gz FFVCFWSLYNRBJS-CMPLNLGQSA-N 1 2 386.236 3.860 20 10 GHCDLO NC(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1ccccc1 ZINC001461543868 1069601570 /nfs/dbraw/zinc/60/15/70/1069601570.db2.gz ZZAUFFKAARFHKI-AWEZNQCLSA-N 1 2 383.673 3.514 20 10 GHCDLO Cc1cc(F)c(F)c(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1 ZINC001217056940 1030130579 /nfs/dbraw/zinc/13/05/79/1030130579.db2.gz XWFFUFBAUNOWSG-UHFFFAOYSA-N 1 2 387.386 3.528 20 10 GHCDLO CC1(C)C[NH2+]CC[C@@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001218311611 1030886261 /nfs/dbraw/zinc/88/62/61/1030886261.db2.gz MYODBUAETCPWMW-SFHVURJKSA-N 1 2 381.428 3.638 20 10 GHCDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277509436 1034539507 /nfs/dbraw/zinc/53/95/07/1034539507.db2.gz GCTUGKHVJIWDRM-SFHVURJKSA-N 1 2 390.833 3.654 20 10 GHCDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@H+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277509436 1034539520 /nfs/dbraw/zinc/53/95/20/1034539520.db2.gz GCTUGKHVJIWDRM-SFHVURJKSA-N 1 2 390.833 3.654 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001231469413 1034613930 /nfs/dbraw/zinc/61/39/30/1034613930.db2.gz CKNRAEBUTAWWON-JENIJYKNSA-N 1 2 379.378 3.875 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001231469413 1034613936 /nfs/dbraw/zinc/61/39/36/1034613936.db2.gz CKNRAEBUTAWWON-JENIJYKNSA-N 1 2 379.378 3.875 20 10 GHCDLO COc1cc(Cl)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC001231697412 1034845248 /nfs/dbraw/zinc/84/52/48/1034845248.db2.gz VEDFHXNSVINLFO-UHFFFAOYSA-N 1 2 390.911 3.826 20 10 GHCDLO COc1cc(Cl)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC001231697412 1034845259 /nfs/dbraw/zinc/84/52/59/1034845259.db2.gz VEDFHXNSVINLFO-UHFFFAOYSA-N 1 2 390.911 3.826 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001231911472 1034985686 /nfs/dbraw/zinc/98/56/86/1034985686.db2.gz MCZZKAVJCUHSPB-MGPUTAFESA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001231911472 1034985687 /nfs/dbraw/zinc/98/56/87/1034985687.db2.gz MCZZKAVJCUHSPB-MGPUTAFESA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cc1Cl ZINC001232259785 1037981330 /nfs/dbraw/zinc/98/13/30/1037981330.db2.gz JMFIBIKSFJCAGZ-NRFANRHFSA-N 1 2 388.895 3.623 20 10 GHCDLO Oc1cc(O)c(C[N@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cc1Cl ZINC001232259785 1037981334 /nfs/dbraw/zinc/98/13/34/1037981334.db2.gz JMFIBIKSFJCAGZ-NRFANRHFSA-N 1 2 388.895 3.623 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232271286 1037995954 /nfs/dbraw/zinc/99/59/54/1037995954.db2.gz UDHVMZCYVQJTKI-KBPBESRZSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(O)c(C[N@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232271286 1037995959 /nfs/dbraw/zinc/99/59/59/1037995959.db2.gz UDHVMZCYVQJTKI-KBPBESRZSA-N 1 2 382.888 3.638 20 10 GHCDLO COC(=O)c1cccc2[nH]nc(C[N@H+](C)Cc3ccc(N4CCCC4)cc3)c21 ZINC001232438694 1038217628 /nfs/dbraw/zinc/21/76/28/1038217628.db2.gz ZSFLBCIQFGRQGJ-UHFFFAOYSA-N 1 2 378.476 3.582 20 10 GHCDLO COC(=O)c1cccc2[nH]nc(C[N@@H+](C)Cc3ccc(N4CCCC4)cc3)c21 ZINC001232438694 1038217643 /nfs/dbraw/zinc/21/76/43/1038217643.db2.gz ZSFLBCIQFGRQGJ-UHFFFAOYSA-N 1 2 378.476 3.582 20 10 GHCDLO COc1cc(Br)cc(OC)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001232698800 1038501321 /nfs/dbraw/zinc/50/13/21/1038501321.db2.gz RDXDBEJHLNYWIT-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1cc(Br)cc(OC)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001232698800 1038501328 /nfs/dbraw/zinc/50/13/28/1038501328.db2.gz RDXDBEJHLNYWIT-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233030883 1038783417 /nfs/dbraw/zinc/78/34/17/1038783417.db2.gz QSOULTQKRRYEOB-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233030883 1038783430 /nfs/dbraw/zinc/78/34/30/1038783430.db2.gz QSOULTQKRRYEOB-NSHDSACASA-N 1 2 388.277 3.848 20 10 GHCDLO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC001233289662 1039070458 /nfs/dbraw/zinc/07/04/58/1039070458.db2.gz GOBICGMNKMOYCM-HNNXBMFYSA-N 1 2 384.904 3.886 20 10 GHCDLO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC001233289662 1039070472 /nfs/dbraw/zinc/07/04/72/1039070472.db2.gz GOBICGMNKMOYCM-HNNXBMFYSA-N 1 2 384.904 3.886 20 10 GHCDLO Oc1ccc(F)c(F)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001233333893 1039134319 /nfs/dbraw/zinc/13/43/19/1039134319.db2.gz LJUPLSAYSLOGBA-UHFFFAOYSA-N 1 2 388.458 3.537 20 10 GHCDLO Oc1ccc(F)c(F)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001233333893 1039134323 /nfs/dbraw/zinc/13/43/23/1039134323.db2.gz LJUPLSAYSLOGBA-UHFFFAOYSA-N 1 2 388.458 3.537 20 10 GHCDLO [O-]c1ccc(F)c(F)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001233333893 1039134341 /nfs/dbraw/zinc/13/43/41/1039134341.db2.gz LJUPLSAYSLOGBA-UHFFFAOYSA-N 1 2 388.458 3.537 20 10 GHCDLO CC(C)N1CCOC[C@@]2(CCC[N@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452729 1039337529 /nfs/dbraw/zinc/33/75/29/1039337529.db2.gz IQHRCEGCIJWPEE-LJQANCHMSA-N 1 2 386.458 3.734 20 10 GHCDLO CC(C)N1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452729 1039337548 /nfs/dbraw/zinc/33/75/48/1039337548.db2.gz IQHRCEGCIJWPEE-LJQANCHMSA-N 1 2 386.458 3.734 20 10 GHCDLO COc1ccc(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)c(O)c1Cl ZINC001277835639 1039895572 /nfs/dbraw/zinc/89/55/72/1039895572.db2.gz YGQQKQLTLKEPGQ-UHFFFAOYSA-N 1 2 380.916 3.525 20 10 GHCDLO COC(=O)/C=C/c1cc(F)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(F)c1 ZINC001234851927 1040369287 /nfs/dbraw/zinc/36/92/87/1040369287.db2.gz ATQWSNFIFYZRJU-SNAWJCMRSA-N 1 2 389.398 3.511 20 10 GHCDLO COC(=O)/C=C/c1cc(F)c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(F)c1 ZINC001234851927 1040369305 /nfs/dbraw/zinc/36/93/05/1040369305.db2.gz ATQWSNFIFYZRJU-SNAWJCMRSA-N 1 2 389.398 3.511 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001235296599 1040768356 /nfs/dbraw/zinc/76/83/56/1040768356.db2.gz LODYHXSWLDBSNG-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001235296599 1040768382 /nfs/dbraw/zinc/76/83/82/1040768382.db2.gz LODYHXSWLDBSNG-CYBMUJFWSA-N 1 2 386.183 3.573 20 10 GHCDLO Oc1c(Br)cc(F)cc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC001235302930 1040775549 /nfs/dbraw/zinc/77/55/49/1040775549.db2.gz WRRVSEQALXLUJF-UHFFFAOYSA-N 1 2 393.300 3.654 20 10 GHCDLO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235305911 1040779373 /nfs/dbraw/zinc/77/93/73/1040779373.db2.gz APRLLZASSUSGBT-ZDUSSCGKSA-N 1 2 378.241 3.999 20 10 GHCDLO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235305911 1040779379 /nfs/dbraw/zinc/77/93/79/1040779379.db2.gz APRLLZASSUSGBT-ZDUSSCGKSA-N 1 2 378.241 3.999 20 10 GHCDLO Oc1cccc2c1C[N@H+](Cc1cc(C(F)(F)F)nn1[C@@H]1CCCCO1)CC2 ZINC001235572613 1040994251 /nfs/dbraw/zinc/99/42/51/1040994251.db2.gz SFDXHTIIBWJVLB-SFHVURJKSA-N 1 2 381.398 3.865 20 10 GHCDLO Oc1cccc2c1C[N@@H+](Cc1cc(C(F)(F)F)nn1[C@@H]1CCCCO1)CC2 ZINC001235572613 1040994255 /nfs/dbraw/zinc/99/42/55/1040994255.db2.gz SFDXHTIIBWJVLB-SFHVURJKSA-N 1 2 381.398 3.865 20 10 GHCDLO COc1ccc(CN(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)c(O)c1Cl ZINC001235933723 1041438052 /nfs/dbraw/zinc/43/80/52/1041438052.db2.gz HSZZNWUSKJZWGK-IAGOWNOFSA-N 1 2 378.875 3.756 20 10 GHCDLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cc(Cl)c(Cl)cc3O)O2)n1 ZINC001236789086 1041895267 /nfs/dbraw/zinc/89/52/67/1041895267.db2.gz BPNBBYCFHQNILD-FVQBIDKESA-N 1 2 384.263 3.885 20 10 GHCDLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cc(Cl)c(Cl)cc3O)O2)n1 ZINC001236789086 1041895269 /nfs/dbraw/zinc/89/52/69/1041895269.db2.gz BPNBBYCFHQNILD-FVQBIDKESA-N 1 2 384.263 3.885 20 10 GHCDLO COc1ccc(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c(O)c1Cl ZINC001236809155 1041909633 /nfs/dbraw/zinc/90/96/33/1041909633.db2.gz JSDPWIODFFRFEC-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c(Br)c1 ZINC001237069074 1042019357 /nfs/dbraw/zinc/01/93/57/1042019357.db2.gz YDFJRPZJRZHCKH-OAHLLOKOSA-N 1 2 392.293 3.607 20 10 GHCDLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(O)ccc(Cl)c3Cl)O2)n1 ZINC001237079221 1042025768 /nfs/dbraw/zinc/02/57/68/1042025768.db2.gz HRVHSUPQZDNCEQ-BPLDGKMQSA-N 1 2 384.263 3.885 20 10 GHCDLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c(O)ccc(Cl)c3Cl)O2)n1 ZINC001237079221 1042025775 /nfs/dbraw/zinc/02/57/75/1042025775.db2.gz HRVHSUPQZDNCEQ-BPLDGKMQSA-N 1 2 384.263 3.885 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001237080822 1042026972 /nfs/dbraw/zinc/02/69/72/1042026972.db2.gz WBXAQLITLXCQML-ALKREAHSSA-N 1 2 395.286 3.905 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001237080822 1042026977 /nfs/dbraw/zinc/02/69/77/1042026977.db2.gz WBXAQLITLXCQML-ALKREAHSSA-N 1 2 395.286 3.905 20 10 GHCDLO COCCN1CC[N@H+](Cc2c(O)ccc(Cl)c2Cl)Cc2cccnc21 ZINC001237082060 1042027655 /nfs/dbraw/zinc/02/76/55/1042027655.db2.gz WFOREYJZFWMSNB-UHFFFAOYSA-N 1 2 382.291 3.563 20 10 GHCDLO COCCN1CC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)Cc2cccnc21 ZINC001237082060 1042027660 /nfs/dbraw/zinc/02/76/60/1042027660.db2.gz WFOREYJZFWMSNB-UHFFFAOYSA-N 1 2 382.291 3.563 20 10 GHCDLO Oc1cccc(OC(F)(F)F)c1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001237124555 1042051851 /nfs/dbraw/zinc/05/18/51/1042051851.db2.gz CPCUTDWPNMBIGN-HNNXBMFYSA-N 1 2 380.357 3.596 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001237126719 1042054114 /nfs/dbraw/zinc/05/41/14/1042054114.db2.gz PVTHYGRJJIHTEL-UHFFFAOYSA-N 1 2 379.741 3.966 20 10 GHCDLO CC(C)(C)OC(=O)N1CCCC12C[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237136804 1042058764 /nfs/dbraw/zinc/05/87/64/1042058764.db2.gz XBXVJLAZKLKILP-UHFFFAOYSA-N 1 2 386.414 3.996 20 10 GHCDLO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237618681 1042285491 /nfs/dbraw/zinc/28/54/91/1042285491.db2.gz KONCMTOLMKQANA-UHFFFAOYSA-N 1 2 392.906 3.516 20 10 GHCDLO O=C1C[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1ccc(F)cc1 ZINC001237798742 1042375861 /nfs/dbraw/zinc/37/58/61/1042375861.db2.gz CARYDKBTAVSQRC-FQEVSTJZSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1C[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1ccc(F)cc1 ZINC001237798742 1042375865 /nfs/dbraw/zinc/37/58/65/1042375865.db2.gz CARYDKBTAVSQRC-FQEVSTJZSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1NCc2ccccc2CC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237813911 1042382069 /nfs/dbraw/zinc/38/20/69/1042382069.db2.gz NLTMUQBQERNCMU-UHFFFAOYSA-N 1 2 388.870 3.639 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000750038735 1047940364 /nfs/dbraw/zinc/94/03/64/1047940364.db2.gz JVKNZZZJFQECJC-HNNXBMFYSA-N 1 2 382.888 3.737 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000750038735 1047940368 /nfs/dbraw/zinc/94/03/68/1047940368.db2.gz JVKNZZZJFQECJC-HNNXBMFYSA-N 1 2 382.888 3.737 20 10 GHCDLO CCN(C(=O)c1cc2c([nH]1)C[N@H+](Cc1cc(Cl)ccc1O)CC2)C(C)C ZINC001279982994 1048026417 /nfs/dbraw/zinc/02/64/17/1048026417.db2.gz CEYIMHCGXCGSGF-UHFFFAOYSA-N 1 2 375.900 3.803 20 10 GHCDLO CCN(C(=O)c1cc2c([nH]1)C[N@@H+](Cc1cc(Cl)ccc1O)CC2)C(C)C ZINC001279982994 1048026432 /nfs/dbraw/zinc/02/64/32/1048026432.db2.gz CEYIMHCGXCGSGF-UHFFFAOYSA-N 1 2 375.900 3.803 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+](C)CC1CCC1 ZINC001308138089 1049878515 /nfs/dbraw/zinc/87/85/15/1049878515.db2.gz VIBCNBJSSZYBSD-CQSZACIVSA-N 1 2 376.456 3.521 20 10 GHCDLO C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+](C)CC1CCC1 ZINC001308138089 1049878521 /nfs/dbraw/zinc/87/85/21/1049878521.db2.gz VIBCNBJSSZYBSD-CQSZACIVSA-N 1 2 376.456 3.521 20 10 GHCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCn1cnc2ccccc21 ZINC001308184378 1049904534 /nfs/dbraw/zinc/90/45/34/1049904534.db2.gz HCRKTGDBWHFTCH-UHFFFAOYSA-N 1 2 378.245 3.823 20 10 GHCDLO COC(=O)c1cnc(CC2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)s1 ZINC001308916648 1050165752 /nfs/dbraw/zinc/16/57/52/1050165752.db2.gz BTFZHYWVWLOYND-UHFFFAOYSA-N 1 2 398.887 3.883 20 10 GHCDLO O=C(NCc1cc(Cl)ccc1O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001312765585 1052862940 /nfs/dbraw/zinc/86/29/40/1052862940.db2.gz LCAXVIXMSGGIHN-UHFFFAOYSA-N 1 2 391.258 3.884 20 10 GHCDLO CN(Cc1cccs1)c1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000848563616 1057181647 /nfs/dbraw/zinc/18/16/47/1057181647.db2.gz WZOYZNDBMSYMJO-GOSISDBHSA-N 1 2 383.521 3.644 20 10 GHCDLO CN1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3cccnc3)cc2F)CC1 ZINC001200076700 1065143290 /nfs/dbraw/zinc/14/32/90/1065143290.db2.gz JUYHGWRCKRMRIW-DEOSSOPVSA-N 1 2 390.506 3.852 20 10 GHCDLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N(Cc1ccco1)Cc1ccccc1O ZINC001465840644 1065892420 /nfs/dbraw/zinc/89/24/20/1065892420.db2.gz GBIUJNPSHWCGNB-UHFFFAOYSA-N 1 2 389.411 3.719 20 10 GHCDLO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001474355848 1074360411 /nfs/dbraw/zinc/36/04/11/1074360411.db2.gz PFQKWWAIGFUMMI-LBPRGKRZSA-N 1 2 388.277 3.849 20 10 GHCDLO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001474355848 1074360420 /nfs/dbraw/zinc/36/04/20/1074360420.db2.gz PFQKWWAIGFUMMI-LBPRGKRZSA-N 1 2 388.277 3.849 20 10 GHCDLO COC(=O)C[N@H+](Cc1ccc(N(C)C)cc1C)Cc1cc(Cl)ccc1O ZINC001474380636 1074375815 /nfs/dbraw/zinc/37/58/15/1074375815.db2.gz XATPWAOMBZGKOD-UHFFFAOYSA-N 1 2 376.884 3.595 20 10 GHCDLO COC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1C)Cc1cc(Cl)ccc1O ZINC001474380636 1074375821 /nfs/dbraw/zinc/37/58/21/1074375821.db2.gz XATPWAOMBZGKOD-UHFFFAOYSA-N 1 2 376.884 3.595 20 10 GHCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)Cc1ccccc1 ZINC001474552490 1074460106 /nfs/dbraw/zinc/46/01/06/1074460106.db2.gz LCQLQHPUVXKORA-HNNXBMFYSA-N 1 2 384.701 3.844 20 10 GHCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)Cc1ccccc1 ZINC001474552490 1074460110 /nfs/dbraw/zinc/46/01/10/1074460110.db2.gz LCQLQHPUVXKORA-HNNXBMFYSA-N 1 2 384.701 3.844 20 10 GHCDLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC001474744935 1074543182 /nfs/dbraw/zinc/54/31/82/1074543182.db2.gz MLAUFNWYXFEQNS-GFCCVEGCSA-N 1 2 376.831 3.780 20 10 GHCDLO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC001651025958 1126252624 /nfs/dbraw/zinc/25/26/24/1126252624.db2.gz WKYSOKBRQYPOPY-CQSZACIVSA-N 1 2 388.664 3.640 20 10 GHCDLO CC1CCN(c2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)CC1 ZINC000177953392 837452133 /nfs/dbraw/zinc/45/21/33/837452133.db2.gz CMBKJEIVNBIVDO-UHFFFAOYSA-N 1 2 377.492 3.570 20 10 GHCDLO CN(C)c1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000161729556 834426235 /nfs/dbraw/zinc/42/62/35/834426235.db2.gz WHMLPDUWPFHSDE-FCHUYYIVSA-N 1 2 389.503 3.677 20 10 GHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)N1CCc2ccccc2C1 ZINC000070975129 841336225 /nfs/dbraw/zinc/33/62/25/841336225.db2.gz HRJZBWIVNYUBFJ-UHFFFAOYSA-N 1 2 376.456 3.572 20 10 GHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)N1CCc2ccccc2C1 ZINC000070975129 841336236 /nfs/dbraw/zinc/33/62/36/841336236.db2.gz HRJZBWIVNYUBFJ-UHFFFAOYSA-N 1 2 376.456 3.572 20 10 GHCDLO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141372888 843269601 /nfs/dbraw/zinc/26/96/01/843269601.db2.gz BOMXRRGSMWPSHB-OAHLLOKOSA-N 1 2 376.678 3.583 20 10 GHCDLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141372888 843269611 /nfs/dbraw/zinc/26/96/11/843269611.db2.gz BOMXRRGSMWPSHB-OAHLLOKOSA-N 1 2 376.678 3.583 20 10 GHCDLO CC(C)(C(N)=O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141373228 843277646 /nfs/dbraw/zinc/27/76/46/843277646.db2.gz SMWASCBYVBTVMW-UHFFFAOYSA-N 1 2 389.721 3.532 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(C)c(F)c(F)c3)CC2)cc1 ZINC001143610060 861602191 /nfs/dbraw/zinc/60/21/91/861602191.db2.gz PLVSOZIQECNOCU-UHFFFAOYSA-N 1 2 376.447 3.621 20 10 GHCDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000765880637 855882303 /nfs/dbraw/zinc/88/23/03/855882303.db2.gz LXQIXPLZPLEKHA-HNNXBMFYSA-N 1 2 390.528 3.542 20 10 GHCDLO O=C(c1ccccn1)c1cc(Cl)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212366102 857160388 /nfs/dbraw/zinc/16/03/88/857160388.db2.gz AYHHTSMTEYQCAK-UHFFFAOYSA-N 1 2 394.862 3.941 20 10 GHCDLO CC(C)Cn1cc([C@H]2[N@H+](Cc3cc(F)cc(F)c3O)CC23CCOCC3)cn1 ZINC000895290069 859038271 /nfs/dbraw/zinc/03/82/71/859038271.db2.gz CHCQWCFXMXSZEQ-HXUWFJFHSA-N 1 2 391.462 3.877 20 10 GHCDLO CC(C)Cn1cc([C@H]2[N@@H+](Cc3cc(F)cc(F)c3O)CC23CCOCC3)cn1 ZINC000895290069 859038280 /nfs/dbraw/zinc/03/82/80/859038280.db2.gz CHCQWCFXMXSZEQ-HXUWFJFHSA-N 1 2 391.462 3.877 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000060993038 860519269 /nfs/dbraw/zinc/51/92/69/860519269.db2.gz QOQYSAPZFSTISB-KRWDZBQOSA-N 1 2 378.476 3.937 20 10 GHCDLO NS(=O)(=O)c1cccc(Nc2ccc([NH2+]CC3CCCC3)cc2)c1[N+](=O)[O-] ZINC000302133792 865726594 /nfs/dbraw/zinc/72/65/94/865726594.db2.gz LPAAHBXTFKTJPS-UHFFFAOYSA-N 1 2 390.465 3.588 20 10 GHCDLO CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)cc3[O-])cc2F)CC1 ZINC000185393670 866053991 /nfs/dbraw/zinc/05/39/91/866053991.db2.gz VXXAMOZLBQBIOV-OAHLLOKOSA-N 1 2 375.463 3.663 20 10 GHCDLO O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000742170156 867096480 /nfs/dbraw/zinc/09/64/80/867096480.db2.gz IOXJGGIGAPQHDK-GOSISDBHSA-N 1 2 394.515 3.637 20 10 GHCDLO O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000742170156 867096494 /nfs/dbraw/zinc/09/64/94/867096494.db2.gz IOXJGGIGAPQHDK-GOSISDBHSA-N 1 2 394.515 3.637 20 10 GHCDLO COc1cccc(C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1O ZINC000793609880 882327680 /nfs/dbraw/zinc/32/76/80/882327680.db2.gz CXORBYVUMZYWNQ-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO COc1cccc(C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1O ZINC000793609880 882327698 /nfs/dbraw/zinc/32/76/98/882327698.db2.gz CXORBYVUMZYWNQ-UHFFFAOYSA-N 1 2 393.237 3.630 20 10 GHCDLO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001169581824 871676656 /nfs/dbraw/zinc/67/66/56/871676656.db2.gz JTCDIDDKFHIHKA-VLIAUNLRSA-N 1 2 376.456 3.521 20 10 GHCDLO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001169581824 871676663 /nfs/dbraw/zinc/67/66/63/871676663.db2.gz JTCDIDDKFHIHKA-VLIAUNLRSA-N 1 2 376.456 3.521 20 10 GHCDLO Cc1cc(Cl)cc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1O ZINC000775654269 872389480 /nfs/dbraw/zinc/38/94/80/872389480.db2.gz WCFZRQBCPOWXEX-UHFFFAOYSA-N 1 2 398.894 3.722 20 10 GHCDLO Fc1cc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)ccc1N1CCOCC1 ZINC000769330106 873968853 /nfs/dbraw/zinc/96/88/53/873968853.db2.gz WHRLHIJKVQIUNW-UHFFFAOYSA-N 1 2 380.467 3.588 20 10 GHCDLO Fc1cc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)ccc1N1CCOCC1 ZINC000769330106 873968857 /nfs/dbraw/zinc/96/88/57/873968857.db2.gz WHRLHIJKVQIUNW-UHFFFAOYSA-N 1 2 380.467 3.588 20 10 GHCDLO C[C@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000775835711 874331470 /nfs/dbraw/zinc/33/14/70/874331470.db2.gz IIDHFJYMEWKSFG-GJZGRUSLSA-N 1 2 377.496 3.675 20 10 GHCDLO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(N2CCOCC2)cc1Cl ZINC000786939241 877067428 /nfs/dbraw/zinc/06/74/28/877067428.db2.gz PHCZBKZHAKGFQH-INIZCTEOSA-N 1 2 397.910 3.608 20 10 GHCDLO CCC(O)(CC)CC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000788273579 877986811 /nfs/dbraw/zinc/98/68/11/877986811.db2.gz LKMPHBXLSBWTMT-UHFFFAOYSA-N 1 2 395.135 3.948 20 10 GHCDLO C[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)Cc1ccccc1O ZINC000111235348 878959439 /nfs/dbraw/zinc/95/94/39/878959439.db2.gz WDFROJCPVONMRN-UHFFFAOYSA-N 1 2 377.469 3.989 20 10 GHCDLO C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)Cc1ccccc1O ZINC000111235348 878959451 /nfs/dbraw/zinc/95/94/51/878959451.db2.gz WDFROJCPVONMRN-UHFFFAOYSA-N 1 2 377.469 3.989 20 10 GHCDLO C[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)[C@H]1CO ZINC001203565212 912465696 /nfs/dbraw/zinc/46/56/96/912465696.db2.gz WMERWMXRGZTOJX-ZANVPECISA-N 1 2 393.119 3.510 20 10 GHCDLO C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)[C@H]1CO ZINC001203565212 912465704 /nfs/dbraw/zinc/46/57/04/912465704.db2.gz WMERWMXRGZTOJX-ZANVPECISA-N 1 2 393.119 3.510 20 10 GHCDLO CC(=O)N(C)C1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 ZINC000112544239 880010027 /nfs/dbraw/zinc/01/00/27/880010027.db2.gz RDKWNVAYVNYAPI-UHFFFAOYSA-N 1 2 381.520 3.528 20 10 GHCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C)n1-c1ccc(C)cc1 ZINC000859885314 884148133 /nfs/dbraw/zinc/14/81/33/884148133.db2.gz GJMUWAKAGMEWNI-JVAFGIKQSA-N 1 2 384.545 3.571 20 10 GHCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C)n1-c1ccc(C)cc1 ZINC000859885314 884148142 /nfs/dbraw/zinc/14/81/42/884148142.db2.gz GJMUWAKAGMEWNI-JVAFGIKQSA-N 1 2 384.545 3.571 20 10 GHCDLO COCCn1c(C)cc(C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1C ZINC000153230786 884215046 /nfs/dbraw/zinc/21/50/46/884215046.db2.gz QBGKIPHDESTSOQ-UHFFFAOYSA-N 1 2 396.487 3.935 20 10 GHCDLO COCCn1c(C)cc(C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1C ZINC000153230786 884215063 /nfs/dbraw/zinc/21/50/63/884215063.db2.gz QBGKIPHDESTSOQ-UHFFFAOYSA-N 1 2 396.487 3.935 20 10 GHCDLO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000919655208 886075445 /nfs/dbraw/zinc/07/54/45/886075445.db2.gz UQRHPOYQMPOQTL-UHFFFAOYSA-N 1 2 395.507 3.734 20 10 GHCDLO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000862252389 886254764 /nfs/dbraw/zinc/25/47/64/886254764.db2.gz FEBDXADPMDMIJQ-GFCCVEGCSA-N 1 2 377.286 3.530 20 10 GHCDLO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000862252389 886254783 /nfs/dbraw/zinc/25/47/83/886254783.db2.gz FEBDXADPMDMIJQ-GFCCVEGCSA-N 1 2 377.286 3.530 20 10 GHCDLO COC(=O)c1cnc(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)s1 ZINC000862474751 886398101 /nfs/dbraw/zinc/39/81/01/886398101.db2.gz ZMEBVWJIGDRNSP-UHFFFAOYSA-N 1 2 384.860 3.807 20 10 GHCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC(C)(C)CC(C)(C)C)cc12 ZINC001184361919 913147246 /nfs/dbraw/zinc/14/72/46/913147246.db2.gz LTSQMXMRNQLYKF-UHFFFAOYSA-N 1 2 388.508 3.570 20 10 GHCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC(C)(C)CC(C)(C)C)cc12 ZINC001184361919 913147253 /nfs/dbraw/zinc/14/72/53/913147253.db2.gz LTSQMXMRNQLYKF-UHFFFAOYSA-N 1 2 388.508 3.570 20 10 GHCDLO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000809702064 887685279 /nfs/dbraw/zinc/68/52/79/887685279.db2.gz CICKFBFLPMBCKB-HQJQHLMTSA-N 1 2 381.133 3.758 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2CCOc3ccc(C)cc3C2)c1O ZINC000809703376 887721300 /nfs/dbraw/zinc/72/13/00/887721300.db2.gz KAIDRMQZHHMLRB-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2CCOc3ccc(C)cc3C2)c1O ZINC000809703376 887721314 /nfs/dbraw/zinc/72/13/14/887721314.db2.gz KAIDRMQZHHMLRB-UHFFFAOYSA-N 1 2 378.266 3.866 20 10 GHCDLO C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794822409 888238505 /nfs/dbraw/zinc/23/85/05/888238505.db2.gz BXRYKPDGDGSSFV-ZOODHJKOSA-N 1 2 387.402 3.756 20 10 GHCDLO CCCC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000917109770 891271794 /nfs/dbraw/zinc/27/17/94/891271794.db2.gz FRCGZFOFXOKLBV-UHFFFAOYSA-N 1 2 395.547 3.966 20 10 GHCDLO CC[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C(C)(C)O ZINC000816653197 894995844 /nfs/dbraw/zinc/99/58/44/894995844.db2.gz JTJGSTRGQRWOPJ-LLVKDONJSA-N 1 2 381.108 3.556 20 10 GHCDLO OCCSCc1cc[nH+]c(NCc2cc(Br)cc(F)c2O)c1 ZINC000883079678 897258213 /nfs/dbraw/zinc/25/82/13/897258213.db2.gz ZVOBEEYQOLUIBI-UHFFFAOYSA-N 1 2 387.274 3.526 20 10 GHCDLO COc1ccc([C@H](CCO)[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC000883078452 897258400 /nfs/dbraw/zinc/25/84/00/897258400.db2.gz RJGYIQSDWCWPAI-INIZCTEOSA-N 1 2 384.245 3.516 20 10 GHCDLO COc1cc(Cl)cc(C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)c1O ZINC000824677533 899759282 /nfs/dbraw/zinc/75/92/82/899759282.db2.gz FQIIDTDOTJATPL-GFCCVEGCSA-N 1 2 394.846 3.692 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001144293654 901626039 /nfs/dbraw/zinc/62/60/39/901626039.db2.gz RIQIWRPCYUUQGY-UHFFFAOYSA-N 1 2 380.204 3.684 20 10 GHCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001144299870 901650855 /nfs/dbraw/zinc/65/08/55/901650855.db2.gz LANITGVSLBIKHV-UHFFFAOYSA-N 1 2 398.247 3.917 20 10 GHCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)no1 ZINC000290241761 914592801 /nfs/dbraw/zinc/59/28/01/914592801.db2.gz SSFYAWLJSQZPHK-QWRGUYRKSA-N 1 2 384.274 3.794 20 10 GHCDLO C[C@H](COCC1CC1)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000846073340 902646377 /nfs/dbraw/zinc/64/63/77/902646377.db2.gz LMSBWBJTLWGANK-SECBINFHSA-N 1 2 393.119 3.822 20 10 GHCDLO COc1ccc(N(C)CCN(C)C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000846658415 903120607 /nfs/dbraw/zinc/12/06/07/903120607.db2.gz ISJHBRSUARGWNA-NRFANRHFSA-N 1 2 392.503 3.535 20 10 GHCDLO Oc1cc2ccccc2cc1CNc1nc[nH+]c2cc(N3CCOCC3)ccc21 ZINC001171402823 904510200 /nfs/dbraw/zinc/51/02/00/904510200.db2.gz SODHKCVSVAUXKP-UHFFFAOYSA-N 1 2 386.455 3.937 20 10 GHCDLO COc1c(O)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795437 921169455 /nfs/dbraw/zinc/16/94/55/921169455.db2.gz NLHOVFXLDIWKJI-GUYCJALGSA-N 1 2 391.493 3.543 20 10 GHCDLO COc1c(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795437 921169466 /nfs/dbraw/zinc/16/94/66/921169466.db2.gz NLHOVFXLDIWKJI-GUYCJALGSA-N 1 2 391.493 3.543 20 10 GHCDLO COc1c([O-])c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000365795437 921169478 /nfs/dbraw/zinc/16/94/78/921169478.db2.gz NLHOVFXLDIWKJI-GUYCJALGSA-N 1 2 391.493 3.543 20 10 GHCDLO CCOC(=O)C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000777441778 908201416 /nfs/dbraw/zinc/20/14/16/908201416.db2.gz YDHVYGDQVVCWRR-IBGZPJMESA-N 1 2 382.504 3.650 20 10 GHCDLO CCOC(=O)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000777441778 908201434 /nfs/dbraw/zinc/20/14/34/908201434.db2.gz YDHVYGDQVVCWRR-IBGZPJMESA-N 1 2 382.504 3.650 20 10 GHCDLO COc1cc(N2CC[NH+](Cc3sccc3Cl)CC2)cc(OC)c1OC ZINC000194484396 908886629 /nfs/dbraw/zinc/88/66/29/908886629.db2.gz KPPVCUJNAKXPEH-UHFFFAOYSA-N 1 2 382.913 3.750 20 10 GHCDLO Cn1cc(Br)cc1C[N@H+](C)Cc1c(O)cccc1Br ZINC001180113208 909966342 /nfs/dbraw/zinc/96/63/42/909966342.db2.gz SKGJGVCTDQJAIQ-UHFFFAOYSA-N 1 2 388.103 3.888 20 10 GHCDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1c(O)cccc1Br ZINC001180113208 909966353 /nfs/dbraw/zinc/96/63/53/909966353.db2.gz SKGJGVCTDQJAIQ-UHFFFAOYSA-N 1 2 388.103 3.888 20 10 GHCDLO COc1cccc(C[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1O ZINC000092361805 911496509 /nfs/dbraw/zinc/49/65/09/911496509.db2.gz HZJCESSVVZJFHX-UHFFFAOYSA-N 1 2 395.286 3.666 20 10 GHCDLO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190074741 917109002 /nfs/dbraw/zinc/10/90/02/917109002.db2.gz JTRYURCUWORVEG-OPMSBBQGSA-N 1 2 383.415 3.839 20 10 GHCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCC1 ZINC000651461899 917611607 /nfs/dbraw/zinc/61/16/07/917611607.db2.gz LHXPJSCDNRUQJR-UHFFFAOYSA-N 1 2 392.503 3.658 20 10 GHCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCC1 ZINC000651461899 917611616 /nfs/dbraw/zinc/61/16/16/917611616.db2.gz LHXPJSCDNRUQJR-UHFFFAOYSA-N 1 2 392.503 3.658 20 10 GHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2Cl)C1 ZINC000800697405 920371071 /nfs/dbraw/zinc/37/10/71/920371071.db2.gz RJLAHONYWGHORX-INIZCTEOSA-N 1 2 389.931 3.662 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)c1nccn1C ZINC000827722554 925937423 /nfs/dbraw/zinc/93/74/23/925937423.db2.gz MTNTUWYLQDJFPB-QMMMGPOBSA-N 1 2 389.091 3.502 20 10 GHCDLO COc1ccccc1N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000725849979 926467661 /nfs/dbraw/zinc/46/76/61/926467661.db2.gz AYNPEIQNMYHURE-UHFFFAOYSA-N 1 2 391.309 3.922 20 10 GHCDLO C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2Cl)C1 ZINC000374373935 927069351 /nfs/dbraw/zinc/06/93/51/927069351.db2.gz UTYDGYXRALDBFZ-DOTOQJQBSA-N 1 2 386.927 3.652 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c1O ZINC000750040567 927401446 /nfs/dbraw/zinc/40/14/46/927401446.db2.gz YTWOBPQYPMDCBG-UHFFFAOYSA-N 1 2 392.927 3.909 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000750056860 927409621 /nfs/dbraw/zinc/40/96/21/927409621.db2.gz KVMDYBIWLBVNKF-OAHLLOKOSA-N 1 2 382.888 3.689 20 10 GHCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000750056860 927409630 /nfs/dbraw/zinc/40/96/30/927409630.db2.gz KVMDYBIWLBVNKF-OAHLLOKOSA-N 1 2 382.888 3.689 20 10 GHCDLO CC(=O)c1cc(F)cc(CN2CC[NH+](Cc3cccc4cccnc43)CC2)c1O ZINC000750816882 927870314 /nfs/dbraw/zinc/87/03/14/927870314.db2.gz BKMIEROCRRVEIS-UHFFFAOYSA-N 1 2 393.462 3.600 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)c1O ZINC000750825941 927878924 /nfs/dbraw/zinc/87/89/24/927878924.db2.gz FVCQFRJAMCQZQI-UHFFFAOYSA-N 1 2 397.349 3.696 20 10 GHCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)c1O ZINC000750825941 927878938 /nfs/dbraw/zinc/87/89/38/927878938.db2.gz FVCQFRJAMCQZQI-UHFFFAOYSA-N 1 2 397.349 3.696 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000781901057 931018519 /nfs/dbraw/zinc/01/85/19/931018519.db2.gz LIZOAFALYFHFFC-QGZVFWFLSA-N 1 2 389.293 3.526 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000781901057 931018527 /nfs/dbraw/zinc/01/85/27/931018527.db2.gz LIZOAFALYFHFFC-QGZVFWFLSA-N 1 2 389.293 3.526 20 10 GHCDLO COc1cc(Br)cc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c1O ZINC000783597977 931592201 /nfs/dbraw/zinc/59/22/01/931592201.db2.gz PZBGTBLXRLWIPU-LBPRGKRZSA-N 1 2 378.266 3.946 20 10 GHCDLO COc1cc(Br)cc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c1O ZINC000783597977 931592207 /nfs/dbraw/zinc/59/22/07/931592207.db2.gz PZBGTBLXRLWIPU-LBPRGKRZSA-N 1 2 378.266 3.946 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000797604404 932341781 /nfs/dbraw/zinc/34/17/81/932341781.db2.gz FJTHDNFUJQPWIM-SUNYJGFJSA-N 1 2 384.314 3.622 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000797604404 932341786 /nfs/dbraw/zinc/34/17/86/932341786.db2.gz FJTHDNFUJQPWIM-SUNYJGFJSA-N 1 2 384.314 3.622 20 10 GHCDLO O=C1c2ccccc2C(=O)N1CC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001116472523 933579474 /nfs/dbraw/zinc/57/94/74/933579474.db2.gz YEVWHALSCIREAH-UHFFFAOYSA-N 1 2 384.863 3.554 20 10 GHCDLO C[N@@H+]1CCC[C@@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)CC1 ZINC001227505624 1032444759 /nfs/dbraw/zinc/44/47/59/1032444759.db2.gz PKGDBUAVIVHRAX-OAHLLOKOSA-N 1 2 381.428 3.734 20 10 GHCDLO C[N@H+]1CCC[C@@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)CC1 ZINC001227505624 1032444766 /nfs/dbraw/zinc/44/47/66/1032444766.db2.gz PKGDBUAVIVHRAX-OAHLLOKOSA-N 1 2 381.428 3.734 20 10 GHCDLO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c31)C2 ZINC001227507495 1032445855 /nfs/dbraw/zinc/44/58/55/1032445855.db2.gz XQFDPTPDTXDXCO-ZSHCYNCHSA-N 1 2 393.439 3.875 20 10 GHCDLO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c31)C2 ZINC001227507495 1032445857 /nfs/dbraw/zinc/44/58/57/1032445857.db2.gz XQFDPTPDTXDXCO-ZSHCYNCHSA-N 1 2 393.439 3.875 20 10 GHCDLO CC1(C)CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)O1 ZINC000779214842 1020527416 /nfs/dbraw/zinc/52/74/16/1020527416.db2.gz GZCQMSURERWCIR-NSHDSACASA-N 1 2 393.119 3.964 20 10 GHCDLO CCOC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)Cc2ncn(CC3CC3)c21 ZINC001140462637 1021753813 /nfs/dbraw/zinc/75/38/13/1021753813.db2.gz JTJYYYACAHAIOG-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)Cc2ncn(CC3CC3)c21 ZINC001140462637 1021753826 /nfs/dbraw/zinc/75/38/26/1021753826.db2.gz JTJYYYACAHAIOG-MRXNPFEDSA-N 1 2 375.900 3.788 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCc3cc(Br)ccc3C2)c(OC)c1 ZINC001141032010 1023298387 /nfs/dbraw/zinc/29/83/87/1023298387.db2.gz PZWNZZGDPYBTPI-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCc3cc(Br)ccc3C2)c(OC)c1 ZINC001141032010 1023298393 /nfs/dbraw/zinc/29/83/93/1023298393.db2.gz PZWNZZGDPYBTPI-UHFFFAOYSA-N 1 2 378.266 3.730 20 10 GHCDLO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000756078280 1023512756 /nfs/dbraw/zinc/51/27/56/1023512756.db2.gz KVYQKOKEJSOKNO-VHSXEESVSA-N 1 2 391.281 3.858 20 10 GHCDLO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Br)cc(Cl)c1O ZINC000756377312 1023619345 /nfs/dbraw/zinc/61/93/45/1023619345.db2.gz SYCCHNILXXQIII-SECBINFHSA-N 1 2 383.673 3.758 20 10 GHCDLO C[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Br)cc(F)c1O ZINC000756455313 1023660884 /nfs/dbraw/zinc/66/08/84/1023660884.db2.gz QUMRWQYKAMFGSW-SNVBAGLBSA-N 1 2 399.235 3.514 20 10 GHCDLO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756639656 1023749341 /nfs/dbraw/zinc/74/93/41/1023749341.db2.gz BLIFTMLMUNLASB-CKYFFXLPSA-N 1 2 378.694 3.653 20 10 GHCDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(Br)cc1O ZINC000756742132 1023795487 /nfs/dbraw/zinc/79/54/87/1023795487.db2.gz KFTPQXOHUYHJBK-JTQLQIEISA-N 1 2 391.244 3.930 20 10 GHCDLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(Br)cc1O ZINC000756742132 1023795493 /nfs/dbraw/zinc/79/54/93/1023795493.db2.gz KFTPQXOHUYHJBK-JTQLQIEISA-N 1 2 391.244 3.930 20 10 GHCDLO Oc1c(F)cccc1C[NH+]1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC001138127943 1024175329 /nfs/dbraw/zinc/17/53/29/1024175329.db2.gz YBJICKJZOAKAEU-UHFFFAOYSA-N 1 2 389.780 3.921 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001139129117 1025941415 /nfs/dbraw/zinc/94/14/15/1025941415.db2.gz NIZRBAVZZQAQBX-INIZCTEOSA-N 1 2 382.485 3.959 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001139129117 1025941418 /nfs/dbraw/zinc/94/14/18/1025941418.db2.gz NIZRBAVZZQAQBX-INIZCTEOSA-N 1 2 382.485 3.959 20 10 GHCDLO CCOc1ccc(N2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)cc1 ZINC001139133692 1025945974 /nfs/dbraw/zinc/94/59/74/1025945974.db2.gz LZNYFXRRESKQPB-UHFFFAOYSA-N 1 2 394.471 3.528 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001139134261 1025947840 /nfs/dbraw/zinc/94/78/40/1025947840.db2.gz ZGKVBCONUTWAHW-UHFFFAOYSA-N 1 2 390.480 3.544 20 10 GHCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001139134261 1025947844 /nfs/dbraw/zinc/94/78/44/1025947844.db2.gz ZGKVBCONUTWAHW-UHFFFAOYSA-N 1 2 390.480 3.544 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC001139508210 1026362370 /nfs/dbraw/zinc/36/23/70/1026362370.db2.gz UVWOJCHCMMESDI-UHFFFAOYSA-N 1 2 391.515 3.582 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccccc2N2CCOCC2)C1 ZINC001139508210 1026362383 /nfs/dbraw/zinc/36/23/83/1026362383.db2.gz UVWOJCHCMMESDI-UHFFFAOYSA-N 1 2 391.515 3.582 20 10 GHCDLO C[C@H]1C[N@H+](CCSc2ncc(-c3ccccc3)n2CC(F)(F)F)CCO1 ZINC000840193812 1027333150 /nfs/dbraw/zinc/33/31/50/1027333150.db2.gz QPJKYBDNRYRUAM-AWEZNQCLSA-N 1 2 385.455 3.925 20 10 GHCDLO C[C@H]1C[N@@H+](CCSc2ncc(-c3ccccc3)n2CC(F)(F)F)CCO1 ZINC000840193812 1027333165 /nfs/dbraw/zinc/33/31/65/1027333165.db2.gz QPJKYBDNRYRUAM-AWEZNQCLSA-N 1 2 385.455 3.925 20 10 GHCDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N4CCC(C)CC4)cc3)[nH+]cn2)C1 ZINC000840258701 1027389032 /nfs/dbraw/zinc/38/90/32/1027389032.db2.gz GUMXWFZROUGEBB-UYAOXDASSA-N 1 2 395.551 3.532 20 10 GHCDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N4CCC(C)CC4)cc3)nc[nH+]2)C1 ZINC000840258701 1027389044 /nfs/dbraw/zinc/38/90/44/1027389044.db2.gz GUMXWFZROUGEBB-UYAOXDASSA-N 1 2 395.551 3.532 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001203564529 1027436943 /nfs/dbraw/zinc/43/69/43/1027436943.db2.gz MBYKFFZXLOVYSQ-AWEZNQCLSA-N 1 2 391.103 3.672 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001203564529 1027436958 /nfs/dbraw/zinc/43/69/58/1027436958.db2.gz MBYKFFZXLOVYSQ-AWEZNQCLSA-N 1 2 391.103 3.672 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001203564743 1027437101 /nfs/dbraw/zinc/43/71/01/1027437101.db2.gz OZTDJCLYORFXJO-UHFFFAOYSA-N 1 2 391.103 3.530 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CCCC2(COC2)C1 ZINC001203564743 1027437121 /nfs/dbraw/zinc/43/71/21/1027437121.db2.gz OZTDJCLYORFXJO-UHFFFAOYSA-N 1 2 391.103 3.530 20 10 GHCDLO COc1ccc(O)c(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 ZINC001203684555 1027529524 /nfs/dbraw/zinc/52/95/24/1027529524.db2.gz ZFVAMPCXDUZQLF-LJQANCHMSA-N 1 2 380.410 3.650 20 10 GHCDLO COc1ccc(O)c(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 ZINC001203684555 1027529537 /nfs/dbraw/zinc/52/95/37/1027529537.db2.gz ZFVAMPCXDUZQLF-LJQANCHMSA-N 1 2 380.410 3.650 20 10 GHCDLO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(Br)cc(F)c1O ZINC000840879349 1027915985 /nfs/dbraw/zinc/91/59/85/1027915985.db2.gz FFVCFWSLYNRBJS-ZYHUDNBSSA-N 1 2 386.236 3.860 20 10 GHCDLO Nc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000841299599 1028392300 /nfs/dbraw/zinc/39/23/00/1028392300.db2.gz FRGCRTZUHGOPRZ-QGZVFWFLSA-N 1 2 376.863 3.847 20 10 GHCDLO Nc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000841299599 1028392312 /nfs/dbraw/zinc/39/23/12/1028392312.db2.gz FRGCRTZUHGOPRZ-QGZVFWFLSA-N 1 2 376.863 3.847 20 10 GHCDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@@H](O)C(F)(F)F ZINC001461400818 1069534408 /nfs/dbraw/zinc/53/44/08/1069534408.db2.gz PPXDVNNRPHVECV-GXSJLCMTSA-N 1 2 376.600 3.600 20 10 GHCDLO OC[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)C[C@H]1c1ccccc1 ZINC001461540347 1069599249 /nfs/dbraw/zinc/59/92/49/1069599249.db2.gz OPNFGFHAHVHGFU-MAUKXSAKSA-N 1 2 380.257 3.550 20 10 GHCDLO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Br)cc(Br)c1O ZINC000842927225 1029692981 /nfs/dbraw/zinc/69/29/81/1029692981.db2.gz DFFFXBWIELZHQF-MRTMQBJTSA-N 1 2 379.092 3.745 20 10 GHCDLO CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881218 1030524501 /nfs/dbraw/zinc/52/45/01/1030524501.db2.gz LIRSZAICISWQBD-GOSISDBHSA-N 1 2 399.304 3.518 20 10 GHCDLO CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)C1=O ZINC001276881218 1030524508 /nfs/dbraw/zinc/52/45/08/1030524508.db2.gz LIRSZAICISWQBD-GOSISDBHSA-N 1 2 399.304 3.518 20 10 GHCDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cccc(Cl)c3O)C[C@@H]12 ZINC001231911067 1034985313 /nfs/dbraw/zinc/98/53/13/1034985313.db2.gz AHQXXLIDIYTTSE-IRLDBZIGSA-N 1 2 384.907 3.810 20 10 GHCDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]12 ZINC001231911067 1034985315 /nfs/dbraw/zinc/98/53/15/1034985315.db2.gz AHQXXLIDIYTTSE-IRLDBZIGSA-N 1 2 384.907 3.810 20 10 GHCDLO COc1ccc(C[N@H+](C)CC2CCCC2)c(O)c1I ZINC001248494271 1035914388 /nfs/dbraw/zinc/91/43/88/1035914388.db2.gz OWTVBJXTYUBBQB-UHFFFAOYSA-N 1 2 375.250 3.627 20 10 GHCDLO COc1ccc(C[N@@H+](C)CC2CCCC2)c(O)c1I ZINC001248494271 1035914394 /nfs/dbraw/zinc/91/43/94/1035914394.db2.gz OWTVBJXTYUBBQB-UHFFFAOYSA-N 1 2 375.250 3.627 20 10 GHCDLO CC(C)(C)OC(=O)N1CCCCC12C[NH+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232262552 1037982909 /nfs/dbraw/zinc/98/29/09/1037982909.db2.gz JELNZUDMTLLFHM-UHFFFAOYSA-N 1 2 382.888 3.727 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269046 1037991561 /nfs/dbraw/zinc/99/15/61/1037991561.db2.gz ZRADNESHSGFOGJ-HUUCEWRRSA-N 1 2 382.888 3.638 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1Cl ZINC001232269046 1037991569 /nfs/dbraw/zinc/99/15/69/1037991569.db2.gz ZRADNESHSGFOGJ-HUUCEWRRSA-N 1 2 382.888 3.638 20 10 GHCDLO CCOC(=O)c1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(Cl)c1 ZINC001232594641 1038368338 /nfs/dbraw/zinc/36/83/38/1038368338.db2.gz WOWWIZOAZDSGPX-UHFFFAOYSA-N 1 2 375.852 3.876 20 10 GHCDLO CCOC(=O)c1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(Cl)c1 ZINC001232594641 1038368351 /nfs/dbraw/zinc/36/83/51/1038368351.db2.gz WOWWIZOAZDSGPX-UHFFFAOYSA-N 1 2 375.852 3.876 20 10 GHCDLO Oc1cc(I)ccc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC001232980585 1038749159 /nfs/dbraw/zinc/74/91/59/1038749159.db2.gz TUZSSSZOFDFNPY-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cc(I)ccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC001232980585 1038749167 /nfs/dbraw/zinc/74/91/67/1038749167.db2.gz TUZSSSZOFDFNPY-UHFFFAOYSA-N 1 2 383.204 3.694 20 10 GHCDLO Oc1cc(C[NH+]2CCN(c3cccc(-c4ccccc4)c3)CC2)cc(O)c1O ZINC001233015414 1038769632 /nfs/dbraw/zinc/76/96/32/1038769632.db2.gz MUHHUXZFKYRJQO-UHFFFAOYSA-N 1 2 376.456 3.793 20 10 GHCDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)cc(Br)cc1F ZINC001233027061 1038778675 /nfs/dbraw/zinc/77/86/75/1038778675.db2.gz KVPKFXNACALITB-UHFFFAOYSA-N 1 2 382.229 3.697 20 10 GHCDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)cc(Br)cc1F ZINC001233027061 1038778687 /nfs/dbraw/zinc/77/86/87/1038778687.db2.gz KVPKFXNACALITB-UHFFFAOYSA-N 1 2 382.229 3.697 20 10 GHCDLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233033633 1038788514 /nfs/dbraw/zinc/78/85/14/1038788514.db2.gz QZKJNKZDOIDFDM-CYBMUJFWSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233033633 1038788532 /nfs/dbraw/zinc/78/85/32/1038788532.db2.gz QZKJNKZDOIDFDM-CYBMUJFWSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233033634 1038789387 /nfs/dbraw/zinc/78/93/87/1038789387.db2.gz QZKJNKZDOIDFDM-ZDUSSCGKSA-N 1 2 381.245 3.651 20 10 GHCDLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233033634 1038789391 /nfs/dbraw/zinc/78/93/91/1038789391.db2.gz QZKJNKZDOIDFDM-ZDUSSCGKSA-N 1 2 381.245 3.651 20 10 GHCDLO O=C(CCC[NH+]1CCN(Cc2c(O)ccc(F)c2F)CC1)c1ccc(F)cc1 ZINC001233336703 1039138106 /nfs/dbraw/zinc/13/81/06/1039138106.db2.gz WGXFTAGIPPCAME-UHFFFAOYSA-N 1 2 392.421 3.590 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3ccn(C(=O)OC(C)(C)C)c3)CC2)c(C)c1 ZINC001233433730 1039309239 /nfs/dbraw/zinc/30/92/39/1039309239.db2.gz NHGDAMLRXADWQO-UHFFFAOYSA-N 1 2 385.508 3.911 20 10 GHCDLO Cc1cc(NC(=O)C[NH2+]Cc2cccc(Cl)c2O)ccc1Br ZINC001462363875 1070202311 /nfs/dbraw/zinc/20/23/11/1070202311.db2.gz VSRNQIMRDOVORW-UHFFFAOYSA-N 1 2 383.673 3.845 20 10 GHCDLO Oc1c(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)cccc1OC(F)(F)F ZINC001233775704 1039605412 /nfs/dbraw/zinc/60/54/12/1039605412.db2.gz AACWHGBEHPNMDC-OAHLLOKOSA-N 1 2 394.384 3.986 20 10 GHCDLO CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833330 1039869944 /nfs/dbraw/zinc/86/99/44/1039869944.db2.gz HYWYJCYEMPBWDS-VBKZILBWSA-N 1 2 380.916 3.810 20 10 GHCDLO CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277833330 1039869970 /nfs/dbraw/zinc/86/99/70/1039869970.db2.gz HYWYJCYEMPBWDS-VBKZILBWSA-N 1 2 380.916 3.810 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCC1CCOCC1 ZINC001254197331 1040047162 /nfs/dbraw/zinc/04/71/62/1040047162.db2.gz XQFXSOKSYNEAFR-UHFFFAOYSA-N 1 2 393.119 3.824 20 10 GHCDLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(F)cc(Br)c1O ZINC001235300924 1040773408 /nfs/dbraw/zinc/77/34/08/1040773408.db2.gz CQGBGYUMCZEHFA-UHFFFAOYSA-N 1 2 396.256 3.859 20 10 GHCDLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(Br)c1O ZINC001235300924 1040773429 /nfs/dbraw/zinc/77/34/29/1040773429.db2.gz CQGBGYUMCZEHFA-UHFFFAOYSA-N 1 2 396.256 3.859 20 10 GHCDLO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235301858 1040774064 /nfs/dbraw/zinc/77/40/64/1040774064.db2.gz KLIFGQZQMUFZPR-GOSISDBHSA-N 1 2 399.304 3.517 20 10 GHCDLO CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1cc(F)cc(Br)c1O)C2 ZINC001235301858 1040774071 /nfs/dbraw/zinc/77/40/71/1040774071.db2.gz KLIFGQZQMUFZPR-GOSISDBHSA-N 1 2 399.304 3.517 20 10 GHCDLO COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)c([O-])c1Cl ZINC001236801818 1041903727 /nfs/dbraw/zinc/90/37/27/1041903727.db2.gz MGMPLGOCTKXBNA-RTBURBONSA-N 1 2 386.923 3.926 20 10 GHCDLO COc1ccnc(OC2CC[NH+](Cc3cc(Cl)c(Cl)cc3O)CC2)n1 ZINC001236803808 1041905855 /nfs/dbraw/zinc/90/58/55/1041905855.db2.gz PFHXFWCRMLUDGB-UHFFFAOYSA-N 1 2 384.263 3.541 20 10 GHCDLO COc1cc(O)c(C[NH+]2CCN(Cc3c(F)cccc3F)CC2)c(Cl)c1 ZINC001236807558 1041908564 /nfs/dbraw/zinc/90/85/64/1041908564.db2.gz HVQZYBNAJDZOEU-UHFFFAOYSA-N 1 2 382.838 3.650 20 10 GHCDLO COc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236811872 1041911558 /nfs/dbraw/zinc/91/15/58/1041911558.db2.gz QJUYIDUOYLFFFC-ZDUSSCGKSA-N 1 2 384.904 3.743 20 10 GHCDLO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1Cl ZINC001236811872 1041911561 /nfs/dbraw/zinc/91/15/61/1041911561.db2.gz QJUYIDUOYLFFFC-ZDUSSCGKSA-N 1 2 384.904 3.743 20 10 GHCDLO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c(O)c1Cl ZINC001236814306 1041912974 /nfs/dbraw/zinc/91/29/74/1041912974.db2.gz VSLFSQAYNKGTIS-LJQANCHMSA-N 1 2 386.879 3.508 20 10 GHCDLO CC(C)c1ccc(C[N@@H+]2CCO[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c(O)c1 ZINC001237050313 1042009494 /nfs/dbraw/zinc/00/94/94/1042009494.db2.gz DDVYKFTZAWPHLC-ICSRJNTNSA-N 1 2 390.524 3.726 20 10 GHCDLO CC(C)c1ccc(C[N@H+]2CCO[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c(O)c1 ZINC001237050313 1042009499 /nfs/dbraw/zinc/00/94/99/1042009499.db2.gz DDVYKFTZAWPHLC-ICSRJNTNSA-N 1 2 390.524 3.726 20 10 GHCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(Br)c1 ZINC001237071708 1042021635 /nfs/dbraw/zinc/02/16/35/1042021635.db2.gz WQQZYNJDHBEWBV-INIZCTEOSA-N 1 2 392.293 3.607 20 10 GHCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c(Br)c1 ZINC001237071708 1042021641 /nfs/dbraw/zinc/02/16/41/1042021641.db2.gz WQQZYNJDHBEWBV-INIZCTEOSA-N 1 2 392.293 3.607 20 10 GHCDLO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4c(O)ccc(Cl)c4Cl)C[C@H]3O2)n1 ZINC001237078960 1042024338 /nfs/dbraw/zinc/02/43/38/1042024338.db2.gz DXPJBSNAZQPLFB-COLVAYQJSA-N 1 2 384.263 3.743 20 10 GHCDLO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4c(O)ccc(Cl)c4Cl)C[C@H]3O2)n1 ZINC001237078960 1042024345 /nfs/dbraw/zinc/02/43/45/1042024345.db2.gz DXPJBSNAZQPLFB-COLVAYQJSA-N 1 2 384.263 3.743 20 10 GHCDLO Cc1cccc(COCc2cnc3n2CC[N@@H+](Cc2c(C)cccc2O)[C@H]3C)n1 ZINC001237486753 1042230341 /nfs/dbraw/zinc/23/03/41/1042230341.db2.gz TZHVUOJWIVTBPW-SFHVURJKSA-N 1 2 392.503 3.894 20 10 GHCDLO Cc1cccc(COCc2cnc3n2CC[N@H+](Cc2c(C)cccc2O)[C@H]3C)n1 ZINC001237486753 1042230350 /nfs/dbraw/zinc/23/03/50/1042230350.db2.gz TZHVUOJWIVTBPW-SFHVURJKSA-N 1 2 392.503 3.894 20 10 GHCDLO COc1cc(C[NH+]2CC(Oc3ccc(C(F)(F)F)cc3)C2)c(O)c(OC)c1 ZINC001237675915 1042317258 /nfs/dbraw/zinc/31/72/58/1042317258.db2.gz DDNLEXYGVVKSJC-UHFFFAOYSA-N 1 2 383.366 3.691 20 10 GHCDLO CCC[N@H+](CCc1ccccn1)Cc1cccc(I)c1O ZINC001237781943 1042366425 /nfs/dbraw/zinc/36/64/25/1042366425.db2.gz CABFAYIIFDCFHJ-UHFFFAOYSA-N 1 2 396.272 3.847 20 10 GHCDLO CCC[N@@H+](CCc1ccccn1)Cc1cccc(I)c1O ZINC001237781943 1042366430 /nfs/dbraw/zinc/36/64/30/1042366430.db2.gz CABFAYIIFDCFHJ-UHFFFAOYSA-N 1 2 396.272 3.847 20 10 GHCDLO O=C1Nc2ncccc2C2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)O1 ZINC001237799064 1042375526 /nfs/dbraw/zinc/37/55/26/1042375526.db2.gz NQSQOTTWRIXFLY-UHFFFAOYSA-N 1 2 377.803 3.633 20 10 GHCDLO O=C1C[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1ccc(F)cc1 ZINC001237798743 1042375649 /nfs/dbraw/zinc/37/56/49/1042375649.db2.gz CARYDKBTAVSQRC-HXUWFJFHSA-N 1 2 392.833 3.953 20 10 GHCDLO O=C1C[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)CN1c1ccc(F)cc1 ZINC001237798743 1042375654 /nfs/dbraw/zinc/37/56/54/1042375654.db2.gz CARYDKBTAVSQRC-HXUWFJFHSA-N 1 2 392.833 3.953 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237799342 1042376739 /nfs/dbraw/zinc/37/67/39/1042376739.db2.gz GXVDQVWDZABLID-FXAWDEMLSA-N 1 2 392.858 3.782 20 10 GHCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237799342 1042376746 /nfs/dbraw/zinc/37/67/46/1042376746.db2.gz GXVDQVWDZABLID-FXAWDEMLSA-N 1 2 392.858 3.782 20 10 GHCDLO O=C1N(CC(F)(F)F)CCC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237802790 1042378380 /nfs/dbraw/zinc/37/83/80/1042378380.db2.gz PIOGQYNOGAYIHT-UHFFFAOYSA-N 1 2 394.796 3.562 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]12 ZINC001237802610 1042378434 /nfs/dbraw/zinc/37/84/34/1042378434.db2.gz MNXSXFZWYJEHKJ-DJSGYFEHSA-N 1 2 384.879 3.920 20 10 GHCDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]12 ZINC001237802610 1042378439 /nfs/dbraw/zinc/37/84/39/1042378439.db2.gz MNXSXFZWYJEHKJ-DJSGYFEHSA-N 1 2 384.879 3.920 20 10 GHCDLO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237812216 1042381174 /nfs/dbraw/zinc/38/11/74/1042381174.db2.gz FALCUNNHDXWWMZ-QGZVFWFLSA-N 1 2 388.870 3.823 20 10 GHCDLO COc1ccc(C(=O)NC2CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)cc1 ZINC001237813024 1042381894 /nfs/dbraw/zinc/38/18/94/1042381894.db2.gz JWYVUHFDNGECGX-UHFFFAOYSA-N 1 2 392.858 3.588 20 10 GHCDLO Oc1cc(Cl)c(F)cc1C[NH+]1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001237946299 1042434083 /nfs/dbraw/zinc/43/40/83/1042434083.db2.gz IJGRACUNESWABP-UHFFFAOYSA-N 1 2 389.780 3.921 20 10 GHCDLO COC(=O)c1cc(OCc2c[nH+]c(N(C)C)c3ccccc23)ccc1N(C)C ZINC001459235658 1064031425 /nfs/dbraw/zinc/03/14/25/1064031425.db2.gz KCFKQOHZYIJCBW-UHFFFAOYSA-N 1 2 379.460 3.732 20 10 GHCDLO OCC1CCN(c2ccc(C[NH2+]Cc3csc(C(F)(F)F)n3)cc2)CC1 ZINC001351974961 1064740570 /nfs/dbraw/zinc/74/05/70/1064740570.db2.gz MTVABDGFOOWBGY-UHFFFAOYSA-N 1 2 385.455 3.660 20 10 GHCDLO O=c1[nH]cc(C[NH2+]Cc2cc(Br)cc(F)c2O)c2ccccc12 ZINC001474272935 1074320125 /nfs/dbraw/zinc/32/01/25/1074320125.db2.gz BTBONDXDIGLGGY-UHFFFAOYSA-N 1 2 377.213 3.837 20 10 GHCDLO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001474309599 1074334655 /nfs/dbraw/zinc/33/46/55/1074334655.db2.gz FHQVXFDEMDXTSN-LLVKDONJSA-N 1 2 389.721 3.546 20 10 GHCDLO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001474309599 1074334661 /nfs/dbraw/zinc/33/46/61/1074334661.db2.gz FHQVXFDEMDXTSN-LLVKDONJSA-N 1 2 389.721 3.546 20 10 GHCDLO C[C@H]1[C@H]([NH2+]Cc2cccc(Br)c2O)CCN1Cc1ccccc1 ZINC000309710727 839130155 /nfs/dbraw/zinc/13/01/55/839130155.db2.gz JFVOIKMNFWZBAY-KBXCAEBGSA-N 1 2 375.310 3.907 20 10 GHCDLO COc1ccc(C[NH2+][C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c(O)c1OC ZINC000894181885 844591175 /nfs/dbraw/zinc/59/11/75/844591175.db2.gz USTLMVPSCLVTRD-NSHDSACASA-N 1 2 389.839 3.964 20 10 GHCDLO Cc1cc(C(=O)COC(=O)CCc2ccc(N)[nH+]c2)c(C)n1-c1ccc(F)cc1 ZINC000759816423 841797365 /nfs/dbraw/zinc/79/73/65/841797365.db2.gz XPTVECAKKZAGDU-UHFFFAOYSA-N 1 2 395.434 3.569 20 10 GHCDLO CC1CCN(c2ccc(CNc3nc(NCCO)c4ccccc4[nH+]3)cc2)CC1 ZINC000731028112 861415479 /nfs/dbraw/zinc/41/54/79/861415479.db2.gz DTUVHMDOTFOKCU-UHFFFAOYSA-N 1 2 391.519 3.882 20 10 GHCDLO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894781417 852198527 /nfs/dbraw/zinc/19/85/27/852198527.db2.gz OTSBCHIDQBTRLM-GFCCVEGCSA-N 1 2 389.721 3.546 20 10 GHCDLO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894781417 852198537 /nfs/dbraw/zinc/19/85/37/852198537.db2.gz OTSBCHIDQBTRLM-GFCCVEGCSA-N 1 2 389.721 3.546 20 10 GHCDLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)c(C)n1-c1ccccc1Br ZINC000174764469 881345077 /nfs/dbraw/zinc/34/50/77/881345077.db2.gz AVPXENXNNVTQTI-UHFFFAOYSA-N 1 2 387.281 3.552 20 10 GHCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840478669 860558414 /nfs/dbraw/zinc/55/84/14/860558414.db2.gz ASAJMCDPVAHFHM-LJQANCHMSA-N 1 2 399.583 3.873 20 10 GHCDLO COc1cc(N2CC[NH+]([C@@H](C)c3c(F)cccc3F)CC2)cc(OC)c1OC ZINC000183698159 867290361 /nfs/dbraw/zinc/29/03/61/867290361.db2.gz BMNPIACTLSJMDB-AWEZNQCLSA-N 1 2 392.446 3.874 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)NCC[NH+]3Cc4ccccc4C3)c2C)cc1 ZINC000743920965 868496786 /nfs/dbraw/zinc/49/67/86/868496786.db2.gz CWZKKJXNHDJXGD-UHFFFAOYSA-N 1 2 389.499 3.848 20 10 GHCDLO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC000775726611 873233198 /nfs/dbraw/zinc/23/31/98/873233198.db2.gz XKDVRDXJQDYSQB-UHFFFAOYSA-N 1 2 376.815 3.700 20 10 GHCDLO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC000775726611 873233213 /nfs/dbraw/zinc/23/32/13/873233213.db2.gz XKDVRDXJQDYSQB-UHFFFAOYSA-N 1 2 376.815 3.700 20 10 GHCDLO C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(Br)c(F)cc1O ZINC000528017204 873918066 /nfs/dbraw/zinc/91/80/66/873918066.db2.gz WVPNXKFWAVKNGX-NSHDSACASA-N 1 2 387.293 3.593 20 10 GHCDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769451487 874079982 /nfs/dbraw/zinc/07/99/82/874079982.db2.gz MORMUEPYPAVJBD-HXUWFJFHSA-N 1 2 385.483 3.812 20 10 GHCDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000769451487 874080000 /nfs/dbraw/zinc/08/00/00/874080000.db2.gz MORMUEPYPAVJBD-HXUWFJFHSA-N 1 2 385.483 3.812 20 10 GHCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000769472220 874091710 /nfs/dbraw/zinc/09/17/10/874091710.db2.gz FOROBTUYUDYCRV-ZHRRBRCNSA-N 1 2 388.458 3.763 20 10 GHCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000769472220 874091725 /nfs/dbraw/zinc/09/17/25/874091725.db2.gz FOROBTUYUDYCRV-ZHRRBRCNSA-N 1 2 388.458 3.763 20 10 GHCDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)c(O)c1 ZINC000769473546 874095243 /nfs/dbraw/zinc/09/52/43/874095243.db2.gz OYZJVVMOKWZGKH-UHFFFAOYSA-N 1 2 386.473 3.557 20 10 GHCDLO COc1cc2c(cc1C[NH2+]Cc1cc(Br)cc(F)c1O)O[C@@H](C)C2 ZINC001199144662 874820929 /nfs/dbraw/zinc/82/09/29/874820929.db2.gz UTHATWHRRIMXPC-JTQLQIEISA-N 1 2 396.256 3.916 20 10 GHCDLO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000776256948 876064880 /nfs/dbraw/zinc/06/48/80/876064880.db2.gz UQKSIOJUXVWWIT-NXEZZACHSA-N 1 2 393.119 3.822 20 10 GHCDLO COc1cc(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c(O)c(C(C)(C)C)c1 ZINC000850266816 876763006 /nfs/dbraw/zinc/76/30/06/876763006.db2.gz JQMDVLMPTUTWJZ-UHFFFAOYSA-N 1 2 398.482 3.767 20 10 GHCDLO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)cc(F)c1O ZINC000850558316 877025038 /nfs/dbraw/zinc/02/50/38/877025038.db2.gz PYCIYAUKSIDSHZ-QWRGUYRKSA-N 1 2 387.293 3.591 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000852426097 878311364 /nfs/dbraw/zinc/31/13/64/878311364.db2.gz HFYXCRBXGDUHCL-JOCHJYFZSA-N 1 2 381.520 3.921 20 10 GHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000852426097 878311383 /nfs/dbraw/zinc/31/13/83/878311383.db2.gz HFYXCRBXGDUHCL-JOCHJYFZSA-N 1 2 381.520 3.921 20 10 GHCDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000789728775 879202074 /nfs/dbraw/zinc/20/20/74/879202074.db2.gz XJUGCEBRNODKDC-UHFFFAOYSA-N 1 2 399.541 3.771 20 10 GHCDLO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2C)cc1 ZINC000790155303 879496458 /nfs/dbraw/zinc/49/64/58/879496458.db2.gz QEMKMZDZTDFFJU-OAQYLSRUSA-N 1 2 391.471 3.791 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001142512613 884366631 /nfs/dbraw/zinc/36/66/31/884366631.db2.gz GIRBMZISKOMVJB-HRAATJIYSA-N 1 2 390.430 3.516 20 10 GHCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001142512613 884366646 /nfs/dbraw/zinc/36/66/46/884366646.db2.gz GIRBMZISKOMVJB-HRAATJIYSA-N 1 2 390.430 3.516 20 10 GHCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1 ZINC000898021320 884559068 /nfs/dbraw/zinc/55/90/68/884559068.db2.gz BVZRKEXHCLIXJT-UHFFFAOYSA-N 1 2 378.192 3.505 20 10 GHCDLO COc1ccc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cc1Cn1cccn1 ZINC000873049289 891444675 /nfs/dbraw/zinc/44/46/75/891444675.db2.gz FBIJHXOULAZAIM-LJQANCHMSA-N 1 2 381.480 3.687 20 10 GHCDLO COc1c(O)c(C[N@H+](C)Cc2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000774820001 913645462 /nfs/dbraw/zinc/64/54/62/913645462.db2.gz SNFHAZLLTHGCMW-UHFFFAOYSA-N 1 2 387.255 3.765 20 10 GHCDLO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC000126123961 893305483 /nfs/dbraw/zinc/30/54/83/893305483.db2.gz SKBZKVRFPHRWAV-UHFFFAOYSA-N 1 2 398.463 3.727 20 10 GHCDLO OC1CCN(c2ccc(CNc3ccccc3OCCn3cc[nH+]c3)cc2)CC1 ZINC000876850894 893361377 /nfs/dbraw/zinc/36/13/77/893361377.db2.gz DSSSKOKVKWKCHX-UHFFFAOYSA-N 1 2 392.503 3.535 20 10 GHCDLO O=C(Oc1ccccc1)N1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816501505 894881990 /nfs/dbraw/zinc/88/19/90/894881990.db2.gz OSNMSJVPOHGLBH-UHFFFAOYSA-N 1 2 378.831 3.891 20 10 GHCDLO O=C(Oc1ccccc1)N1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816501505 894882000 /nfs/dbraw/zinc/88/20/00/894882000.db2.gz OSNMSJVPOHGLBH-UHFFFAOYSA-N 1 2 378.831 3.891 20 10 GHCDLO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(Br)c3O)C2)cc1 ZINC000818221315 896088023 /nfs/dbraw/zinc/08/80/23/896088023.db2.gz QOSNIEFJASUMCO-CQSZACIVSA-N 1 2 391.309 3.779 20 10 GHCDLO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000289148595 914056840 /nfs/dbraw/zinc/05/68/40/914056840.db2.gz GDNSZXFDXLJNGF-LPHOPBHVSA-N 1 2 399.445 3.754 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc2c(c1)CC(=O)N2C ZINC000882970636 897159452 /nfs/dbraw/zinc/15/94/52/897159452.db2.gz JOPVIJSOFYZINV-SNVBAGLBSA-N 1 2 393.256 3.664 20 10 GHCDLO COCCOCc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC000883125557 897302823 /nfs/dbraw/zinc/30/28/23/897302823.db2.gz MOCAZSDZTJTZOD-UHFFFAOYSA-N 1 2 398.272 3.747 20 10 GHCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000042289954 897398884 /nfs/dbraw/zinc/39/88/84/897398884.db2.gz NCPWBQQMODUPFI-MRXNPFEDSA-N 1 2 385.533 3.566 20 10 GHCDLO CN(CC[N@H+](C)Cc1ccccc1)Cc1cc(Br)c(F)cc1O ZINC001144307786 901698889 /nfs/dbraw/zinc/69/88/89/901698889.db2.gz HTTIIVHZZKAFFI-UHFFFAOYSA-N 1 2 381.289 3.858 20 10 GHCDLO CN(CC[N@@H+](C)Cc1ccccc1)Cc1cc(Br)c(F)cc1O ZINC001144307786 901698913 /nfs/dbraw/zinc/69/89/13/901698913.db2.gz HTTIIVHZZKAFFI-UHFFFAOYSA-N 1 2 381.289 3.858 20 10 GHCDLO COC(=O)c1ccc(C2C[NH+](Cc3cc(Br)c(F)cc3O)C2)cc1 ZINC001144307931 901699346 /nfs/dbraw/zinc/69/93/46/901699346.db2.gz LZZAPUSSFBJGRG-UHFFFAOYSA-N 1 2 394.240 3.680 20 10 GHCDLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(N2CCOCC2)cc1 ZINC000158989895 902406337 /nfs/dbraw/zinc/40/63/37/902406337.db2.gz NDENWMPPRBNRAI-UHFFFAOYSA-N 1 2 394.519 3.912 20 10 GHCDLO O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001146247687 903476489 /nfs/dbraw/zinc/47/64/89/903476489.db2.gz PAWFPTZEYJLZBE-GOSISDBHSA-N 1 2 376.859 3.856 20 10 GHCDLO O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001146247687 903476499 /nfs/dbraw/zinc/47/64/99/903476499.db2.gz PAWFPTZEYJLZBE-GOSISDBHSA-N 1 2 376.859 3.856 20 10 GHCDLO COc1ccc(O)c(C[N@@H+]2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000779611923 907883838 /nfs/dbraw/zinc/88/38/38/907883838.db2.gz PZODKJCNVKJFTH-NRFANRHFSA-N 1 2 393.487 3.777 20 10 GHCDLO COc1ccc(O)c(C[N@H+]2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000779611923 907883848 /nfs/dbraw/zinc/88/38/48/907883848.db2.gz PZODKJCNVKJFTH-NRFANRHFSA-N 1 2 393.487 3.777 20 10 GHCDLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(N2CCOCC2)c(F)c1 ZINC000186821013 907990669 /nfs/dbraw/zinc/99/06/69/907990669.db2.gz ILTYAZCRIFVGDM-OAHLLOKOSA-N 1 2 391.487 3.816 20 10 GHCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC001177166397 908415537 /nfs/dbraw/zinc/41/55/37/908415537.db2.gz PCXWBXPMDJHJCB-LBPRGKRZSA-N 1 2 384.657 3.738 20 10 GHCDLO CCC[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1O)OC ZINC001178791221 909229123 /nfs/dbraw/zinc/22/91/23/909229123.db2.gz UCQYTVSDCJVCAI-NSHDSACASA-N 1 2 381.108 3.822 20 10 GHCDLO CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000773855025 910110742 /nfs/dbraw/zinc/11/07/42/910110742.db2.gz YRADETMEHIANEI-UHFFFAOYSA-N 1 2 376.464 3.874 20 10 GHCDLO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246563146 910374273 /nfs/dbraw/zinc/37/42/73/910374273.db2.gz LSGQNIJVYYAVAT-PKOBYXMFSA-N 1 2 391.874 3.772 20 10 GHCDLO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246563146 910374287 /nfs/dbraw/zinc/37/42/87/910374287.db2.gz LSGQNIJVYYAVAT-PKOBYXMFSA-N 1 2 391.874 3.772 20 10 GHCDLO O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000291477035 915202999 /nfs/dbraw/zinc/20/29/99/915202999.db2.gz LISJSKJDNHRQKD-UHFFFAOYSA-N 1 2 392.459 3.662 20 10 GHCDLO COc1c(O)c(C[N@H+](C)Cc2ccc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000775115914 915209859 /nfs/dbraw/zinc/20/98/59/915209859.db2.gz OPCGBLYPHKDBIK-UHFFFAOYSA-N 1 2 399.216 3.843 20 10 GHCDLO COc1c(O)c(C[N@@H+](C)Cc2ccc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000775115914 915209878 /nfs/dbraw/zinc/20/98/78/915209878.db2.gz OPCGBLYPHKDBIK-UHFFFAOYSA-N 1 2 399.216 3.843 20 10 GHCDLO COC1CCN(c2ccc(C[NH2+]C3(c4noc(C)n4)CCCCC3)cc2)CC1 ZINC000295665384 917407532 /nfs/dbraw/zinc/40/75/32/917407532.db2.gz IXBTVPMHEJBBSY-UHFFFAOYSA-N 1 2 384.524 3.942 20 10 GHCDLO C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)cc2Cl)C1 ZINC000800570687 920282278 /nfs/dbraw/zinc/28/22/78/920282278.db2.gz BNDQZFJVLYKKGM-WBVHZDCISA-N 1 2 386.927 3.652 20 10 GHCDLO CCC(CC)(CCO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000802656925 922315443 /nfs/dbraw/zinc/31/54/43/922315443.db2.gz WTVFVWAMZVMQFR-UHFFFAOYSA-N 1 2 395.135 3.948 20 10 GHCDLO C[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1cc(Br)c(F)cc1O ZINC000903220523 922865207 /nfs/dbraw/zinc/86/52/07/922865207.db2.gz ORVFJNOGURWXFJ-SECBINFHSA-N 1 2 388.306 3.663 20 10 GHCDLO COC1CC(CC[NH2+]Cc2cc(Br)cc(Br)c2O)C1 ZINC000826797190 924208222 /nfs/dbraw/zinc/20/82/22/924208222.db2.gz QJERRSWJHPXTFH-UHFFFAOYSA-N 1 2 393.119 3.822 20 10 GHCDLO Cc1cccc2nc(C[NH+]3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cn21 ZINC001137303590 924406003 /nfs/dbraw/zinc/40/60/03/924406003.db2.gz FGCVKUCCTQGSHT-UHFFFAOYSA-N 1 2 390.409 3.864 20 10 GHCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000827134030 924886304 /nfs/dbraw/zinc/88/63/04/924886304.db2.gz ZVUUFEDNBXNJFR-LLVKDONJSA-N 1 2 391.103 3.718 20 10 GHCDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000389853323 926389118 /nfs/dbraw/zinc/38/91/18/926389118.db2.gz XWNFWMJOOFRNHB-SWLSCSKDSA-N 1 2 399.329 3.890 20 10 GHCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000726843408 926888521 /nfs/dbraw/zinc/88/85/21/926888521.db2.gz DFPUSDBOIUQDHT-UHFFFAOYSA-N 1 2 394.475 3.944 20 10 GHCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000726843408 926888529 /nfs/dbraw/zinc/88/85/29/926888529.db2.gz DFPUSDBOIUQDHT-UHFFFAOYSA-N 1 2 394.475 3.944 20 10 GHCDLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)n1-c1ccc(Br)cc1 ZINC000749190021 926991858 /nfs/dbraw/zinc/99/18/58/926991858.db2.gz ZJLZOLXEJNFBJI-UHFFFAOYSA-N 1 2 387.281 3.818 20 10 GHCDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000750404331 927607331 /nfs/dbraw/zinc/60/73/31/927607331.db2.gz SPRPDSAPBLDDTQ-HXUWFJFHSA-N 1 2 378.476 3.788 20 10 GHCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)c1O ZINC000750817868 927871355 /nfs/dbraw/zinc/87/13/55/927871355.db2.gz WQLYPSNRVQITMF-UHFFFAOYSA-N 1 2 385.464 3.666 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000781907919 931024084 /nfs/dbraw/zinc/02/40/84/931024084.db2.gz HWLFFWSQLLTSKM-UHFFFAOYSA-N 1 2 377.238 3.930 20 10 GHCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000781907919 931024090 /nfs/dbraw/zinc/02/40/90/931024090.db2.gz HWLFFWSQLLTSKM-UHFFFAOYSA-N 1 2 377.238 3.930 20 10 GHCDLO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCc3[nH]ncc32)NC(=O)OC(C)(C)C)cc1 ZINC000796897378 932102457 /nfs/dbraw/zinc/10/24/57/932102457.db2.gz LRHCJSFYSRPDPW-UYAOXDASSA-N 1 2 399.539 3.709 20 10 GHCDLO COc1cccc(CNc2cc[nH+]c3c(Br)ccc(F)c23)c1O ZINC000799936128 933177107 /nfs/dbraw/zinc/17/71/07/933177107.db2.gz PQNHHUZGUPJDFD-UHFFFAOYSA-N 1 2 377.213 3.885 20 10 GHCDLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)ccc1N1CCCCC1 ZINC000828059216 935571051 /nfs/dbraw/zinc/57/10/51/935571051.db2.gz OAEQAMXVNQBXNF-RBBKRZOGSA-N 1 2 384.520 3.903 20 10 GHCDLO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)ccc1N1CCCCC1 ZINC000828059216 935571056 /nfs/dbraw/zinc/57/10/56/935571056.db2.gz OAEQAMXVNQBXNF-RBBKRZOGSA-N 1 2 384.520 3.903 20 10 GHCDLO Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)c(C)n1-c1ccccc1 ZINC001137857741 935828888 /nfs/dbraw/zinc/82/88/88/935828888.db2.gz LOTAWHRHKSRBIB-WWPVKYPJSA-N 1 2 395.547 3.598 20 10 GHCDLO Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)c(C)n1-c1ccccc1 ZINC001137857741 935828891 /nfs/dbraw/zinc/82/88/91/935828891.db2.gz LOTAWHRHKSRBIB-WWPVKYPJSA-N 1 2 395.547 3.598 20 10 GHCDLO CN(C)c1ccc(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)c(Cl)c1 ZINC001140926857 1022904043 /nfs/dbraw/zinc/90/40/43/1022904043.db2.gz XVTYJLPFYKVMMM-UHFFFAOYSA-N 1 2 383.923 3.857 20 10 GHCDLO Cc1cc(C)c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)[nH+]1 ZINC000836630686 1023193130 /nfs/dbraw/zinc/19/31/30/1023193130.db2.gz ZQRNTXZZHCUXDR-UHFFFAOYSA-N 1 2 382.508 3.537 20 10 GHCDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000756326182 1023591387 /nfs/dbraw/zinc/59/13/87/1023591387.db2.gz HCIVDDIVBRPJPT-KRWDZBQOSA-N 1 2 376.456 3.965 20 10 GHCDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000756326182 1023591389 /nfs/dbraw/zinc/59/13/89/1023591389.db2.gz HCIVDDIVBRPJPT-KRWDZBQOSA-N 1 2 376.456 3.965 20 10 GHCDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(Br)cc(Cl)c1O ZINC000756351847 1023602494 /nfs/dbraw/zinc/60/24/94/1023602494.db2.gz ORFDDWWVLOOOOG-VIFPVBQESA-N 1 2 383.673 3.758 20 10 GHCDLO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cc(Br)c(F)cc1O ZINC000756393737 1023625661 /nfs/dbraw/zinc/62/56/61/1023625661.db2.gz ULBBKUCDKMLRLU-NSHDSACASA-N 1 2 378.245 3.835 20 10 GHCDLO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756415872 1023636598 /nfs/dbraw/zinc/63/65/98/1023636598.db2.gz LAHKJYNEWREAQW-NSHDSACASA-N 1 2 375.282 3.593 20 10 GHCDLO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139132032 1025944556 /nfs/dbraw/zinc/94/45/56/1025944556.db2.gz SPXMSOJSHHWMAF-MRXNPFEDSA-N 1 2 397.471 3.853 20 10 GHCDLO COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139132032 1025944560 /nfs/dbraw/zinc/94/45/60/1025944560.db2.gz SPXMSOJSHHWMAF-MRXNPFEDSA-N 1 2 397.471 3.853 20 10 GHCDLO COCCOc1ccc(N2CC[NH+](Cc3cccc(Cl)c3OC)CC2)cc1 ZINC001140062532 1026842726 /nfs/dbraw/zinc/84/27/26/1026842726.db2.gz BCROLSRECKYVGE-UHFFFAOYSA-N 1 2 390.911 3.696 20 10 GHCDLO COc1ccc(Br)cc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001203782176 1027600420 /nfs/dbraw/zinc/60/04/20/1027600420.db2.gz YUUJCPULCKLLPZ-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO COc1ccc(Br)cc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001203782176 1027600428 /nfs/dbraw/zinc/60/04/28/1027600428.db2.gz YUUJCPULCKLLPZ-UHFFFAOYSA-N 1 2 378.266 3.817 20 10 GHCDLO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(Br)c(F)cc1O ZINC000840879261 1027916274 /nfs/dbraw/zinc/91/62/74/1027916274.db2.gz CVCLIEOVBOCXKI-PWSUYJOCSA-N 1 2 386.236 3.860 20 10 GHCDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)cc(F)c1O ZINC001276881062 1030523750 /nfs/dbraw/zinc/52/37/50/1030523750.db2.gz GPEZZESEXATNBV-IUIKQTSFSA-N 1 2 399.304 3.658 20 10 GHCDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)cc(F)c1O ZINC001276881062 1030523754 /nfs/dbraw/zinc/52/37/54/1030523754.db2.gz GPEZZESEXATNBV-IUIKQTSFSA-N 1 2 399.304 3.658 20 10 GHCDLO Nc1ccc(CC(=O)N2CC[NH+]=C2CN(Cc2ccccc2)c2ccccc2)cc1 ZINC001220443540 1031943766 /nfs/dbraw/zinc/94/37/66/1031943766.db2.gz NZCRYUVUXUKFCL-UHFFFAOYSA-N 1 2 398.510 3.759 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387572 1033482220 /nfs/dbraw/zinc/48/22/20/1033482220.db2.gz KJZKVWRGHBEFOY-MRXNPFEDSA-N 1 2 394.796 3.562 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387572 1033482229 /nfs/dbraw/zinc/48/22/29/1033482229.db2.gz KJZKVWRGHBEFOY-MRXNPFEDSA-N 1 2 394.796 3.562 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388619 1033488915 /nfs/dbraw/zinc/48/89/15/1033488915.db2.gz XRPGGMUVIXQRGE-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388619 1033488923 /nfs/dbraw/zinc/48/89/23/1033488923.db2.gz XRPGGMUVIXQRGE-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO Fc1cncc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001207026256 1034060404 /nfs/dbraw/zinc/06/04/04/1034060404.db2.gz GXJLBAGLMBXQIM-UHFFFAOYSA-N 1 2 378.451 3.517 20 10 GHCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001207373006 1034314887 /nfs/dbraw/zinc/31/48/87/1034314887.db2.gz WTQOUGJZDWJKNY-ZDUSSCGKSA-N 1 2 391.874 3.902 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001207373958 1034315441 /nfs/dbraw/zinc/31/54/41/1034315441.db2.gz CJXFOOQDPJCTTN-INIZCTEOSA-N 1 2 399.535 3.945 20 10 GHCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001207373958 1034315452 /nfs/dbraw/zinc/31/54/52/1034315452.db2.gz CJXFOOQDPJCTTN-INIZCTEOSA-N 1 2 399.535 3.945 20 10 GHCDLO COC(=O)[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C1CCCCC1 ZINC001207501266 1034407364 /nfs/dbraw/zinc/40/73/64/1034407364.db2.gz CACMXGQNNMJGQE-AWEZNQCLSA-N 1 2 388.277 3.753 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277509122 1034537077 /nfs/dbraw/zinc/53/70/77/1034537077.db2.gz AVTKDKHVRSFNEL-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277509122 1034537086 /nfs/dbraw/zinc/53/70/86/1034537086.db2.gz AVTKDKHVRSFNEL-MRXNPFEDSA-N 1 2 394.796 3.704 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001231467059 1034610124 /nfs/dbraw/zinc/61/01/24/1034610124.db2.gz AAQPHALGBXFFIB-OALUTQOASA-N 1 2 399.384 3.808 20 10 GHCDLO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001231467059 1034610151 /nfs/dbraw/zinc/61/01/51/1034610151.db2.gz AAQPHALGBXFFIB-OALUTQOASA-N 1 2 399.384 3.808 20 10 GHCDLO CN(Cc1cccs1)c1ccc(C[NH2+]Cc2nc(C(F)(F)F)n[nH]2)cc1 ZINC001207872876 1034632702 /nfs/dbraw/zinc/63/27/02/1034632702.db2.gz IHYVHNHUYOAVID-UHFFFAOYSA-N 1 2 381.427 3.811 20 10 GHCDLO O=C(c1cccnc1)N1CCC2(CC1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231911507 1034985950 /nfs/dbraw/zinc/98/59/50/1034985950.db2.gz MTPRAVZZYDWGOS-UHFFFAOYSA-N 1 2 399.922 3.959 20 10 GHCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001231911655 1034987083 /nfs/dbraw/zinc/98/70/83/1034987083.db2.gz OKDGPHSYIAQHEE-HFSMHLIXSA-N 1 2 388.895 3.637 20 10 GHCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001231911655 1034987084 /nfs/dbraw/zinc/98/70/84/1034987084.db2.gz OKDGPHSYIAQHEE-HFSMHLIXSA-N 1 2 388.895 3.637 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001233027738 1038778063 /nfs/dbraw/zinc/77/80/63/1038778063.db2.gz XOPUZBRDGMSMSQ-UHFFFAOYSA-N 1 2 398.251 3.540 20 10 GHCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001233027738 1038778067 /nfs/dbraw/zinc/77/80/67/1038778067.db2.gz XOPUZBRDGMSMSQ-UHFFFAOYSA-N 1 2 398.251 3.540 20 10 GHCDLO COc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c1O ZINC001233290354 1039072916 /nfs/dbraw/zinc/07/29/16/1039072916.db2.gz YNVOFVSGJUHGAM-UHFFFAOYSA-N 1 2 382.888 3.640 20 10 GHCDLO COc1cc(Cl)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c1O ZINC001233290354 1039072938 /nfs/dbraw/zinc/07/29/38/1039072938.db2.gz YNVOFVSGJUHGAM-UHFFFAOYSA-N 1 2 382.888 3.640 20 10 GHCDLO CCOC[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cn(CC)nc21 ZINC001233416933 1039275590 /nfs/dbraw/zinc/27/55/90/1039275590.db2.gz BZLGDLISSOTJOP-HNNXBMFYSA-N 1 2 383.414 3.763 20 10 GHCDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cn(CC)nc21 ZINC001233416933 1039275598 /nfs/dbraw/zinc/27/55/98/1039275598.db2.gz BZLGDLISSOTJOP-HNNXBMFYSA-N 1 2 383.414 3.763 20 10 GHCDLO CC(=O)c1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)cc1 ZINC001233418808 1039280469 /nfs/dbraw/zinc/28/04/69/1039280469.db2.gz XDBGBDBWJSYKLP-UHFFFAOYSA-N 1 2 378.394 3.936 20 10 GHCDLO COc1ccc2ccc(O)c(C[N@@H+]3Cc4cnn(C5CCOCC5)c4C3)c2c1 ZINC001234570019 1040138968 /nfs/dbraw/zinc/13/89/68/1040138968.db2.gz VYQYQFIGJRJFNR-UHFFFAOYSA-N 1 2 379.460 3.618 20 10 GHCDLO COc1ccc2ccc(O)c(C[N@H+]3Cc4cnn(C5CCOCC5)c4C3)c2c1 ZINC001234570019 1040138975 /nfs/dbraw/zinc/13/89/75/1040138975.db2.gz VYQYQFIGJRJFNR-UHFFFAOYSA-N 1 2 379.460 3.618 20 10 GHCDLO CN(CC[N@H+](C)Cc1cc(F)cc(Br)c1O)C(=O)OC(C)(C)C ZINC001235298392 1040770588 /nfs/dbraw/zinc/77/05/88/1040770588.db2.gz RZLUNGKVDLXTPX-UHFFFAOYSA-N 1 2 391.281 3.593 20 10 GHCDLO CN(CC[N@@H+](C)Cc1cc(F)cc(Br)c1O)C(=O)OC(C)(C)C ZINC001235298392 1040770610 /nfs/dbraw/zinc/77/06/10/1040770610.db2.gz RZLUNGKVDLXTPX-UHFFFAOYSA-N 1 2 391.281 3.593 20 10 GHCDLO COc1ccc(N2CC[NH+](Cc3cc(C)cc(Br)c3O)CC2)cc1 ZINC001236672202 1041819650 /nfs/dbraw/zinc/81/96/50/1041819650.db2.gz DAISYSOBASKJOZ-UHFFFAOYSA-N 1 2 391.309 3.794 20 10 GHCDLO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)c(OC)c1 ZINC001236917901 1041957374 /nfs/dbraw/zinc/95/73/74/1041957374.db2.gz CDVXETZHGOEGCH-UHFFFAOYSA-N 1 2 390.911 3.826 20 10 GHCDLO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)c(OC)c1 ZINC001236917901 1041957375 /nfs/dbraw/zinc/95/73/75/1041957375.db2.gz CDVXETZHGOEGCH-UHFFFAOYSA-N 1 2 390.911 3.826 20 10 GHCDLO Oc1ccc(Cl)c(Cl)c1CN1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001237080065 1042025925 /nfs/dbraw/zinc/02/59/25/1042025925.db2.gz RJBBFHXPRZSYJD-HUUCEWRRSA-N 1 2 378.303 3.658 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001237121045 1042048551 /nfs/dbraw/zinc/04/85/51/1042048551.db2.gz IJLZQXMVBHVZMR-MZMPZRCHSA-N 1 2 392.858 3.638 20 10 GHCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001237121045 1042048557 /nfs/dbraw/zinc/04/85/57/1042048557.db2.gz IJLZQXMVBHVZMR-MZMPZRCHSA-N 1 2 392.858 3.638 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@]1(F)CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237146383 1042063522 /nfs/dbraw/zinc/06/35/22/1042063522.db2.gz UTVLSOIIVAMIMS-KRWDZBQOSA-N 1 2 392.393 3.850 20 10 GHCDLO CC(C)(C)OC(=O)NC[C@@]1(F)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237146383 1042063528 /nfs/dbraw/zinc/06/35/28/1042063528.db2.gz UTVLSOIIVAMIMS-KRWDZBQOSA-N 1 2 392.393 3.850 20 10 GHCDLO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001237617963 1042283731 /nfs/dbraw/zinc/28/37/31/1042283731.db2.gz DYMGYYSOEXQJLF-UHFFFAOYSA-N 1 2 394.874 3.645 20 10 GHCDLO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001237617963 1042283737 /nfs/dbraw/zinc/28/37/37/1042283737.db2.gz DYMGYYSOEXQJLF-UHFFFAOYSA-N 1 2 394.874 3.645 20 10 GHCDLO CCOCc1ncn2c1C[N@H+](Cc1cc(Br)c(C)cc1O)CCC2 ZINC001237683583 1042323996 /nfs/dbraw/zinc/32/39/96/1042323996.db2.gz NSRIDCKTLTVXNC-UHFFFAOYSA-N 1 2 394.313 3.602 20 10 GHCDLO CCOCc1ncn2c1C[N@@H+](Cc1cc(Br)c(C)cc1O)CCC2 ZINC001237683583 1042324003 /nfs/dbraw/zinc/32/40/03/1042324003.db2.gz NSRIDCKTLTVXNC-UHFFFAOYSA-N 1 2 394.313 3.602 20 10 GHCDLO Cc1cc(Cl)cc(C[N@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)c1O ZINC001237685593 1042325924 /nfs/dbraw/zinc/32/59/24/1042325924.db2.gz NLTMSHQKIKPSAK-MRXNPFEDSA-N 1 2 375.900 3.609 20 10 GHCDLO Cc1cc(Cl)cc(C[N@@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)c1O ZINC001237685593 1042325933 /nfs/dbraw/zinc/32/59/33/1042325933.db2.gz NLTMSHQKIKPSAK-MRXNPFEDSA-N 1 2 375.900 3.609 20 10 GHCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1O ZINC001237689845 1042328612 /nfs/dbraw/zinc/32/86/12/1042328612.db2.gz QJEHYDUWJFVMPZ-UHFFFAOYSA-N 1 2 379.287 3.965 20 10 GHCDLO Oc1c(I)cccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001237780692 1042365828 /nfs/dbraw/zinc/36/58/28/1042365828.db2.gz VRNIYAUAAASGQQ-JTQLQIEISA-N 1 2 385.167 3.771 20 10 GHCDLO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783307 1042367471 /nfs/dbraw/zinc/36/74/71/1042367471.db2.gz HGKIWCJCMGVAST-VIFPVBQESA-N 1 2 396.203 3.559 20 10 GHCDLO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783307 1042367474 /nfs/dbraw/zinc/36/74/74/1042367474.db2.gz HGKIWCJCMGVAST-VIFPVBQESA-N 1 2 396.203 3.559 20 10 GHCDLO Oc1c(C[NH+]2CCC3(CCO3)CC2)cc(Br)cc1C(F)(F)F ZINC001237793251 1042373639 /nfs/dbraw/zinc/37/36/39/1042373639.db2.gz WWBXLTILFANOBQ-UHFFFAOYSA-N 1 2 380.204 3.928 20 10 GHCDLO O=c1oc2ccccc2n1C1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237799782 1042376709 /nfs/dbraw/zinc/37/67/09/1042376709.db2.gz UEJNNNAIXVSITA-UHFFFAOYSA-N 1 2 376.815 3.930 20 10 GHCDLO Cc1ncncc1C[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001238172841 1042508328 /nfs/dbraw/zinc/50/83/28/1042508328.db2.gz IBBGAFZEVBRTNB-UHFFFAOYSA-N 1 2 385.471 3.915 20 10 GHCDLO Cc1cc(CC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)n1-c1ccccc1 ZINC001261727375 1046067576 /nfs/dbraw/zinc/06/75/76/1046067576.db2.gz QUCZPQDOGWRGHW-HXUWFJFHSA-N 1 2 390.531 3.851 20 10 GHCDLO CC(C)NC(=O)N1CCCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1 ZINC001279441901 1047807489 /nfs/dbraw/zinc/80/74/89/1047807489.db2.gz IUIZHLZUHKDFSE-UHFFFAOYSA-N 1 2 379.932 3.842 20 10 GHCDLO CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1c[nH+]ccc1OC ZINC001305381644 1048003663 /nfs/dbraw/zinc/00/36/63/1048003663.db2.gz FIODIRYAEQYJTI-HNNXBMFYSA-N 1 2 381.480 3.586 20 10 GHCDLO CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCCNc1cccc[nH+]1 ZINC001287180889 1048628888 /nfs/dbraw/zinc/62/88/88/1048628888.db2.gz HLMSVDVKIJHACR-UHFFFAOYSA-N 1 2 380.496 3.641 20 10 GHCDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001308557909 1050008169 /nfs/dbraw/zinc/00/81/69/1050008169.db2.gz HNPYNHGCBGKUJG-UHFFFAOYSA-N 1 2 392.503 3.747 20 10 GHCDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001308557909 1050008173 /nfs/dbraw/zinc/00/81/73/1050008173.db2.gz HNPYNHGCBGKUJG-UHFFFAOYSA-N 1 2 392.503 3.747 20 10 GHCDLO C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001312065096 1052553610 /nfs/dbraw/zinc/55/36/10/1052553610.db2.gz JWXIYNWSNXWKPG-GOSISDBHSA-N 1 2 387.487 3.809 20 10 GHCDLO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000848561644 1057179932 /nfs/dbraw/zinc/17/99/32/1057179932.db2.gz AXCQMNAIANBHQC-OAQYLSRUSA-N 1 2 391.519 3.973 20 10 GHCDLO Cc1cc(CC(=O)NCCc2cn3cccc(C)c3[nH+]2)c(C)n1-c1ccccc1 ZINC001457205990 1063025186 /nfs/dbraw/zinc/02/51/86/1063025186.db2.gz GGZWDVZEIJCIEP-UHFFFAOYSA-N 1 2 386.499 3.952 20 10 GHCDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C[C@H]1CC=CCC1 ZINC001473302362 1067230256 /nfs/dbraw/zinc/23/02/56/1067230256.db2.gz PCFPLSRVZULBIW-INIZCTEOSA-N 1 2 388.467 3.689 20 10 GHCDLO C[N@H+](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C[C@H]1CC=CCC1 ZINC001473302362 1067230266 /nfs/dbraw/zinc/23/02/66/1067230266.db2.gz PCFPLSRVZULBIW-INIZCTEOSA-N 1 2 388.467 3.689 20 10 GHCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001477985109 1078658278 /nfs/dbraw/zinc/65/82/78/1078658278.db2.gz RKNPWNYSZFACAR-JOCHJYFZSA-N 1 2 387.487 3.500 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC001472588710 1073564530 /nfs/dbraw/zinc/56/45/30/1073564530.db2.gz GDWCDWJARNWRPC-INIZCTEOSA-N 1 2 377.891 3.911 20 10 GHCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC001472588710 1073564535 /nfs/dbraw/zinc/56/45/35/1073564535.db2.gz GDWCDWJARNWRPC-INIZCTEOSA-N 1 2 377.891 3.911 20 10 GHCDLO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)cc1F ZINC001473269968 1073900218 /nfs/dbraw/zinc/90/02/18/1073900218.db2.gz MTFKPKXXNYSMNT-GOSISDBHSA-N 1 2 399.293 3.997 20 10 GHCDLO Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC001473975584 1074223370 /nfs/dbraw/zinc/22/33/70/1074223370.db2.gz DXQONSGZDMZJPI-UHFFFAOYSA-N 1 2 376.859 3.888 20 10 GHCDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Br)cc(F)c1O ZINC001474517525 1074444738 /nfs/dbraw/zinc/44/47/38/1074444738.db2.gz VILRHWFXRBVBDS-UHFFFAOYSA-N 1 2 383.217 3.877 20 10 GHCDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Br)cc(F)c1O ZINC001474517525 1074444742 /nfs/dbraw/zinc/44/47/42/1074444742.db2.gz VILRHWFXRBVBDS-UHFFFAOYSA-N 1 2 383.217 3.877 20 10 GHCDLO