smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000133736852 728727743 /nfs/dbraw/zinc/72/77/43/728727743.db2.gz MEYLXFHCJQSHKT-HNNXBMFYSA-N 1 2 365.905 2.564 20 10 FFCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779028343 738430961 /nfs/dbraw/zinc/43/09/61/738430961.db2.gz HFFXNQPYMBQTGY-WBMJQRKESA-N 1 2 354.422 2.645 20 10 FFCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779028343 738430964 /nfs/dbraw/zinc/43/09/64/738430964.db2.gz HFFXNQPYMBQTGY-WBMJQRKESA-N 1 2 354.422 2.645 20 10 FFCDLO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000382736687 729835198 /nfs/dbraw/zinc/83/51/98/729835198.db2.gz MZLCPRBBQVVJTC-ZDUSSCGKSA-N 1 2 356.850 2.771 20 10 FFCDLO C[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)CC1 ZINC000877747600 732423016 /nfs/dbraw/zinc/42/30/16/732423016.db2.gz SYZZDIJNZYPPPJ-UHFFFAOYSA-N 1 2 358.313 2.911 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000781896703 738668837 /nfs/dbraw/zinc/66/88/37/738668837.db2.gz MLBMIVDSNXGXDJ-AWEZNQCLSA-N 1 2 353.260 2.706 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000781896703 738668839 /nfs/dbraw/zinc/66/88/39/738668839.db2.gz MLBMIVDSNXGXDJ-AWEZNQCLSA-N 1 2 353.260 2.706 20 10 FFCDLO CCOCC[NH+]1CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC000781896360 738668887 /nfs/dbraw/zinc/66/88/87/738668887.db2.gz IPENXBXOWUKCQK-UHFFFAOYSA-N 1 2 357.292 2.617 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000882946152 733313484 /nfs/dbraw/zinc/31/34/84/733313484.db2.gz YCOUUZQEXMEKND-LBPRGKRZSA-N 1 2 364.667 2.685 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000886799936 733839280 /nfs/dbraw/zinc/83/92/80/733839280.db2.gz ZSOOYJNZGZLTTB-AWEZNQCLSA-N 1 2 351.752 2.995 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000886799936 733839283 /nfs/dbraw/zinc/83/92/83/733839283.db2.gz ZSOOYJNZGZLTTB-AWEZNQCLSA-N 1 2 351.752 2.995 20 10 FFCDLO CNC(=O)CC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894045272 734792204 /nfs/dbraw/zinc/79/22/04/734792204.db2.gz XREMOWFUPRYKTP-UHFFFAOYSA-N 1 2 359.239 2.642 20 10 FFCDLO O=C1N(CC[NH2+]Cc2cccc(Br)c2O)C[C@H]2CCCCN12 ZINC000895342021 734993699 /nfs/dbraw/zinc/99/36/99/734993699.db2.gz LMBRELBFFJDEGC-CYBMUJFWSA-N 1 2 368.275 2.534 20 10 FFCDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000748051370 735611930 /nfs/dbraw/zinc/61/19/30/735611930.db2.gz RXPNNYCMTUCDCQ-AWEZNQCLSA-N 1 2 354.834 2.959 20 10 FFCDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000748051370 735611932 /nfs/dbraw/zinc/61/19/32/735611932.db2.gz RXPNNYCMTUCDCQ-AWEZNQCLSA-N 1 2 354.834 2.959 20 10 FFCDLO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)c(F)cc1O ZINC000903212635 736056453 /nfs/dbraw/zinc/05/64/53/736056453.db2.gz IQQTUQBSVOQAHO-NXEZZACHSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Br)c(F)cc1O ZINC000903212638 736056475 /nfs/dbraw/zinc/05/64/75/736056475.db2.gz IQQTUQBSVOQAHO-ZJUUUORDSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cc(F)cc(F)c1O ZINC000903424127 736091186 /nfs/dbraw/zinc/09/11/86/736091186.db2.gz MLQGCRDLORWEII-NSHDSACASA-N 1 2 370.421 2.917 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(F)cc(F)c1O ZINC000903433770 736093468 /nfs/dbraw/zinc/09/34/68/736093468.db2.gz FBERZJAYGCZPIB-WCBMZHEXSA-N 1 2 370.787 2.749 20 10 FFCDLO COCCOCCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756357062 736325034 /nfs/dbraw/zinc/32/50/34/736325034.db2.gz BIVXNIXOAUQNHI-SNVBAGLBSA-N 1 2 350.228 2.998 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000756546866 736341129 /nfs/dbraw/zinc/34/11/29/736341129.db2.gz TWCCTPREZOHBJL-GHMZBOCLSA-N 1 2 361.255 2.665 20 10 FFCDLO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000756555152 736342149 /nfs/dbraw/zinc/34/21/49/736342149.db2.gz SFRPOGLNIFCTPO-PWSUYJOCSA-N 1 2 361.255 2.665 20 10 FFCDLO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(Br)c(F)cc1O ZINC000756654294 736349883 /nfs/dbraw/zinc/34/98/83/736349883.db2.gz KBDFPFMADKKULQ-BONVTDFDSA-N 1 2 362.239 2.734 20 10 FFCDLO COC(=O)N1CC([NH2+][C@@H](C)c2cc(Br)cc(Cl)c2O)C1 ZINC000756762402 736359536 /nfs/dbraw/zinc/35/95/36/736359536.db2.gz ZKYDKOACRMVXCZ-ZETCQYMHSA-N 1 2 363.639 2.909 20 10 FFCDLO CC(=O)N1CC[N@H+](Cc2cc(C)cc(Br)c2O)C(C)(C)C1 ZINC000761215610 736708388 /nfs/dbraw/zinc/70/83/88/736708388.db2.gz SXWJIKRZTZAAJK-UHFFFAOYSA-N 1 2 355.276 2.906 20 10 FFCDLO CC(=O)N1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C(C)(C)C1 ZINC000761215610 736708390 /nfs/dbraw/zinc/70/83/90/736708390.db2.gz SXWJIKRZTZAAJK-UHFFFAOYSA-N 1 2 355.276 2.906 20 10 FFCDLO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2c[nH+]cn2C)cc1 ZINC000912110169 737266138 /nfs/dbraw/zinc/26/61/38/737266138.db2.gz PAGIJHRQOQDRPF-UHFFFAOYSA-N 1 2 354.376 2.620 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000775098509 738061364 /nfs/dbraw/zinc/06/13/64/738061364.db2.gz WQVSLMSWBZFMOY-CQSZACIVSA-N 1 2 364.320 2.852 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCC[C@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000775098509 738061368 /nfs/dbraw/zinc/06/13/68/738061368.db2.gz WQVSLMSWBZFMOY-CQSZACIVSA-N 1 2 364.320 2.852 20 10 FFCDLO CCCN1CCC[N@H+](Cc2cc(Br)cc(C)c2O)CC1=O ZINC000788270071 739226077 /nfs/dbraw/zinc/22/60/77/739226077.db2.gz WKFNBHLHFKOBCO-UHFFFAOYSA-N 1 2 355.276 2.907 20 10 FFCDLO CCCN1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)CC1=O ZINC000788270071 739226079 /nfs/dbraw/zinc/22/60/79/739226079.db2.gz WKFNBHLHFKOBCO-UHFFFAOYSA-N 1 2 355.276 2.907 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000793360830 739773322 /nfs/dbraw/zinc/77/33/22/739773322.db2.gz ACSHLLKKSITLTO-BLLLJJGKSA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000793360830 739773325 /nfs/dbraw/zinc/77/33/25/739773325.db2.gz ACSHLLKKSITLTO-BLLLJJGKSA-N 1 2 356.260 2.843 20 10 FFCDLO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)cc(F)c1O ZINC000799727265 740445589 /nfs/dbraw/zinc/44/55/89/740445589.db2.gz BKKBAZLQMZDRGI-YLVJLNSGSA-N 1 2 350.253 2.856 20 10 FFCDLO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)cc(F)c1O ZINC000799727264 740445668 /nfs/dbraw/zinc/44/56/68/740445668.db2.gz BKKBAZLQMZDRGI-WPCRTTGESA-N 1 2 350.253 2.856 20 10 FFCDLO CC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(Cl)c1O ZINC000806138721 741043115 /nfs/dbraw/zinc/04/31/15/741043115.db2.gz ALTZJIAOBIDLMK-MRXNPFEDSA-N 1 2 374.934 2.595 20 10 FFCDLO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000808726075 741255394 /nfs/dbraw/zinc/25/53/94/741255394.db2.gz OTLHZAIXBISRPY-VIFPVBQESA-N 1 2 368.268 2.768 20 10 FFCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000821807149 742665114 /nfs/dbraw/zinc/66/51/14/742665114.db2.gz NUPLAUYUTYVYQT-HZMBPMFUSA-N 1 2 357.332 2.535 20 10 FFCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000823433183 742909114 /nfs/dbraw/zinc/90/91/14/742909114.db2.gz QROOZCMJHCIQCA-GOSISDBHSA-N 1 2 360.479 2.758 20 10 FFCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000823433183 742909122 /nfs/dbraw/zinc/90/91/22/742909122.db2.gz QROOZCMJHCIQCA-GOSISDBHSA-N 1 2 360.479 2.758 20 10 FFCDLO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1O ZINC000825067673 743204941 /nfs/dbraw/zinc/20/49/41/743204941.db2.gz CAFHFEIACNCSOR-LBPRGKRZSA-N 1 2 362.804 2.790 20 10 FFCDLO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1O ZINC000825067673 743204946 /nfs/dbraw/zinc/20/49/46/743204946.db2.gz CAFHFEIACNCSOR-LBPRGKRZSA-N 1 2 362.804 2.790 20 10 FFCDLO Oc1cc(Br)ccc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000826539471 743393142 /nfs/dbraw/zinc/39/31/42/743393142.db2.gz ULDCSUCEYMMBEO-MRXNPFEDSA-N 1 2 369.303 2.841 20 10 FFCDLO Cc1cc(O)c(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)c(Cl)c1 ZINC000840950586 747239865 /nfs/dbraw/zinc/23/98/65/747239865.db2.gz OQSPVWYCJYSFKQ-UHFFFAOYSA-N 1 2 354.859 2.633 20 10 FFCDLO Cc1cc(O)c(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)c(Cl)c1 ZINC000840950586 747239866 /nfs/dbraw/zinc/23/98/66/747239866.db2.gz OQSPVWYCJYSFKQ-UHFFFAOYSA-N 1 2 354.859 2.633 20 10 FFCDLO COC(=O)Cc1cc[nH+]c(NCc2ccc(N3CCSCC3)cc2)c1 ZINC000853188827 750024793 /nfs/dbraw/zinc/02/47/93/750024793.db2.gz FLEGYUPECWKLLS-UHFFFAOYSA-N 1 2 357.479 2.962 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894753242 965667601 /nfs/dbraw/zinc/66/76/01/965667601.db2.gz RUKOYUBOWXPNJN-HUUCEWRRSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894753242 965667607 /nfs/dbraw/zinc/66/76/07/965667607.db2.gz RUKOYUBOWXPNJN-HUUCEWRRSA-N 1 2 370.396 2.540 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000725805032 967567764 /nfs/dbraw/zinc/56/77/64/967567764.db2.gz FCGQZOYROVDMQR-OAQYLSRUSA-N 1 2 367.493 2.615 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000725805032 967567778 /nfs/dbraw/zinc/56/77/78/967567778.db2.gz FCGQZOYROVDMQR-OAQYLSRUSA-N 1 2 367.493 2.615 20 10 FFCDLO COc1ccc(CNc2ccccc2C[NH+]2CCOCC2)c(O)c1OC ZINC000892342967 967574563 /nfs/dbraw/zinc/57/45/63/967574563.db2.gz VDZHQFKKZUTFRP-UHFFFAOYSA-N 1 2 358.438 2.854 20 10 FFCDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000729613263 981117063 /nfs/dbraw/zinc/11/70/63/981117063.db2.gz BRVNBIBFPYIASP-SFHVURJKSA-N 1 2 374.529 2.539 20 10 FFCDLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000729613263 981117067 /nfs/dbraw/zinc/11/70/67/981117067.db2.gz BRVNBIBFPYIASP-SFHVURJKSA-N 1 2 374.529 2.539 20 10 FFCDLO CCC[N@H+](CC(=O)NC(=O)c1ccc(OC)cc1)Cc1ccccc1O ZINC000157059512 984453265 /nfs/dbraw/zinc/45/32/65/984453265.db2.gz GVSYPONCWVTJEY-UHFFFAOYSA-N 1 2 356.422 2.569 20 10 FFCDLO CCC[N@@H+](CC(=O)NC(=O)c1ccc(OC)cc1)Cc1ccccc1O ZINC000157059512 984453266 /nfs/dbraw/zinc/45/32/66/984453266.db2.gz GVSYPONCWVTJEY-UHFFFAOYSA-N 1 2 356.422 2.569 20 10 FFCDLO OC[C@]1(F)CCC[N@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235296518 988653617 /nfs/dbraw/zinc/65/36/17/988653617.db2.gz JIQGVOACSAJBOB-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO OC[C@]1(F)CCC[N@@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235296518 988653622 /nfs/dbraw/zinc/65/36/22/988653622.db2.gz JIQGVOACSAJBOB-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824231599 996848505 /nfs/dbraw/zinc/84/85/05/996848505.db2.gz PNIQOXBDPZZGBF-MOPGFXCFSA-N 1 2 374.506 2.883 20 10 FFCDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824231599 996848509 /nfs/dbraw/zinc/84/85/09/996848509.db2.gz PNIQOXBDPZZGBF-MOPGFXCFSA-N 1 2 374.506 2.883 20 10 FFCDLO COc1ccc(N2CC[C@H](CNC(=O)Nc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000824321263 996886348 /nfs/dbraw/zinc/88/63/48/996886348.db2.gz RQEKDSLJIQXPDA-OAHLLOKOSA-N 1 2 365.437 2.991 20 10 FFCDLO O=C1COC2(C1)CC[NH+](Cc1cc(Br)c(F)cc1O)CC2 ZINC001144292612 998276243 /nfs/dbraw/zinc/27/62/43/998276243.db2.gz GNQWSDFXLLEHRZ-UHFFFAOYSA-N 1 2 358.207 2.618 20 10 FFCDLO CCC(=O)NC1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299563 998287242 /nfs/dbraw/zinc/28/72/42/998287242.db2.gz AIQDKZDOMFXQOQ-UHFFFAOYSA-N 1 2 359.239 2.784 20 10 FFCDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407138 1000043925 /nfs/dbraw/zinc/04/39/25/1000043925.db2.gz ZKONYLQRMXPZAO-XOBRGWDASA-N 1 2 372.465 2.656 20 10 FFCDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407138 1000043926 /nfs/dbraw/zinc/04/39/26/1000043926.db2.gz ZKONYLQRMXPZAO-XOBRGWDASA-N 1 2 372.465 2.656 20 10 FFCDLO Cc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c[nH+]1 ZINC000767946531 1000163352 /nfs/dbraw/zinc/16/33/52/1000163352.db2.gz LNGFYODLHQKGFZ-UHFFFAOYSA-N 1 2 372.444 2.542 20 10 FFCDLO CCc1cc(C)c(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000768026847 1000173511 /nfs/dbraw/zinc/17/35/11/1000173511.db2.gz DCVIDERNEFERHN-UHFFFAOYSA-N 1 2 371.481 2.711 20 10 FFCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000768905698 1000379086 /nfs/dbraw/zinc/37/90/86/1000379086.db2.gz FSPXESDSYPNFJA-UHFFFAOYSA-N 1 2 369.465 2.770 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)cc1F ZINC000770307734 1000742958 /nfs/dbraw/zinc/74/29/58/1000742958.db2.gz VFTJGAMULAQINJ-UHFFFAOYSA-N 1 2 371.460 2.547 20 10 FFCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)c(F)cc2O)N1CC(F)(F)F ZINC001276191957 1016502039 /nfs/dbraw/zinc/50/20/39/1016502039.db2.gz WCOZDYBAASYHKW-CHWSQXEVSA-N 1 2 364.314 2.798 20 10 FFCDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)c(F)cc2O)N1CC(F)(F)F ZINC001276191957 1016502055 /nfs/dbraw/zinc/50/20/55/1016502055.db2.gz WCOZDYBAASYHKW-CHWSQXEVSA-N 1 2 364.314 2.798 20 10 FFCDLO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(F)cc2O)C1=O ZINC001276192178 1016504682 /nfs/dbraw/zinc/50/46/82/1016504682.db2.gz YWQAYLPCNZWQBQ-IBGZPJMESA-N 1 2 368.424 2.662 20 10 FFCDLO COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(F)cc2O)C1=O ZINC001276192178 1016504719 /nfs/dbraw/zinc/50/47/19/1016504719.db2.gz YWQAYLPCNZWQBQ-IBGZPJMESA-N 1 2 368.424 2.662 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1Cc3ccccc3[C@H]1C)cc2=O ZINC000746673019 1001683085 /nfs/dbraw/zinc/68/30/85/1001683085.db2.gz XGTLSMXZOCANIK-GFCCVEGCSA-N 1 2 352.394 2.688 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1Cc3ccccc3[C@H]1C)cc2=O ZINC000746673019 1001683088 /nfs/dbraw/zinc/68/30/88/1001683088.db2.gz XGTLSMXZOCANIK-GFCCVEGCSA-N 1 2 352.394 2.688 20 10 FFCDLO Nc1cc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc[nH+]1 ZINC000787577517 1001699633 /nfs/dbraw/zinc/69/96/33/1001699633.db2.gz ATDXJHBDQJOXBT-UHFFFAOYSA-N 1 2 358.353 2.796 20 10 FFCDLO O=C(C[N@H+]1CC[C@H](CO)[C@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787996602 1001742287 /nfs/dbraw/zinc/74/22/87/1001742287.db2.gz MHTFAVZLKJBQTR-DNVCBOLYSA-N 1 2 368.437 2.716 20 10 FFCDLO O=C(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787996602 1001742291 /nfs/dbraw/zinc/74/22/91/1001742291.db2.gz MHTFAVZLKJBQTR-DNVCBOLYSA-N 1 2 368.437 2.716 20 10 FFCDLO C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767906 1003485063 /nfs/dbraw/zinc/48/50/63/1003485063.db2.gz OZPRNQRVOYMUOB-QFIPXVFZSA-N 1 2 366.461 2.856 20 10 FFCDLO C[N@H+]1CC[C@]2(CC[NH+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767906 1003485066 /nfs/dbraw/zinc/48/50/66/1003485066.db2.gz OZPRNQRVOYMUOB-QFIPXVFZSA-N 1 2 366.461 2.856 20 10 FFCDLO C[NH+]1CC[C@]2(CC[N@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767906 1003485071 /nfs/dbraw/zinc/48/50/71/1003485071.db2.gz OZPRNQRVOYMUOB-QFIPXVFZSA-N 1 2 366.461 2.856 20 10 FFCDLO C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767906 1003485077 /nfs/dbraw/zinc/48/50/77/1003485077.db2.gz OZPRNQRVOYMUOB-QFIPXVFZSA-N 1 2 366.461 2.856 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)C2)cc1 ZINC000852455284 1006035158 /nfs/dbraw/zinc/03/51/58/1006035158.db2.gz UHOKGUCTRIANRD-MRXNPFEDSA-N 1 2 369.469 2.586 20 10 FFCDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)O1 ZINC000882589384 1006445202 /nfs/dbraw/zinc/44/52/02/1006445202.db2.gz VSYQLOXCJKURJV-YWZLYKJASA-N 1 2 372.490 2.959 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)O1 ZINC000882589384 1006445206 /nfs/dbraw/zinc/44/52/06/1006445206.db2.gz VSYQLOXCJKURJV-YWZLYKJASA-N 1 2 372.490 2.959 20 10 FFCDLO COC(=O)Cc1cc[nH+]c(NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000853699641 1006509755 /nfs/dbraw/zinc/50/97/55/1006509755.db2.gz JUGIOJQTQFPSQF-MRXNPFEDSA-N 1 2 355.438 2.744 20 10 FFCDLO CCCCNc1cc(NCc2ccc(N3CCC(O)CC3)cc2)nc(N)[nH+]1 ZINC000853955083 1006600132 /nfs/dbraw/zinc/60/01/32/1006600132.db2.gz CVJDSYQUBWFNPA-UHFFFAOYSA-N 1 2 370.501 2.844 20 10 FFCDLO CCCCNc1cc(NCc2ccc(N3CCC(O)CC3)cc2)[nH+]c(N)n1 ZINC000853955083 1006600139 /nfs/dbraw/zinc/60/01/39/1006600139.db2.gz CVJDSYQUBWFNPA-UHFFFAOYSA-N 1 2 370.501 2.844 20 10 FFCDLO COc1ccc(N2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC000823199040 1008961815 /nfs/dbraw/zinc/96/18/15/1008961815.db2.gz XSJBOCIAPDSKDK-CQSZACIVSA-N 1 2 350.422 2.828 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000860728029 1009127449 /nfs/dbraw/zinc/12/74/49/1009127449.db2.gz LILRSRYVWUSKKT-UHFFFAOYSA-N 1 2 350.422 2.613 20 10 FFCDLO CCOC(=O)c1cccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000862212654 1009747124 /nfs/dbraw/zinc/74/71/24/1009747124.db2.gz UQLHOKNJARMGQW-UHFFFAOYSA-N 1 2 355.438 2.589 20 10 FFCDLO Oc1cc2c(cc1CN1CC[NH+](Cc3cc4ccccc4[nH]3)CC1)OCO2 ZINC000862534303 1009865885 /nfs/dbraw/zinc/86/58/85/1009865885.db2.gz CXWZSLNSMKJPHG-UHFFFAOYSA-N 1 2 365.433 2.920 20 10 FFCDLO O=C1N(CC2CCCC2)C[C@@]2(F)C[N@@H+](Cc3ccccc3O)C[C@@]12F ZINC001275232179 1012114196 /nfs/dbraw/zinc/11/41/96/1012114196.db2.gz MHSCLPQXLDRLSA-RBUKOAKNSA-N 1 2 350.409 2.657 20 10 FFCDLO O=C1N(CC2CCCC2)C[C@@]2(F)C[N@H+](Cc3ccccc3O)C[C@@]12F ZINC001275232179 1012114210 /nfs/dbraw/zinc/11/42/10/1012114210.db2.gz MHSCLPQXLDRLSA-RBUKOAKNSA-N 1 2 350.409 2.657 20 10 FFCDLO Cc1ccc(O)c(C[N@@H+]2C[C@]3(F)CN(C4CCCC4)C(=O)[C@]3(F)C2)c1 ZINC001275238511 1012122625 /nfs/dbraw/zinc/12/26/25/1012122625.db2.gz JTLAOLVFZATHMG-RBUKOAKNSA-N 1 2 350.409 2.718 20 10 FFCDLO Cc1ccc(O)c(C[N@H+]2C[C@]3(F)CN(C4CCCC4)C(=O)[C@]3(F)C2)c1 ZINC001275238511 1012122633 /nfs/dbraw/zinc/12/26/33/1012122633.db2.gz JTLAOLVFZATHMG-RBUKOAKNSA-N 1 2 350.409 2.718 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c2ccccc21 ZINC001275669865 1012810793 /nfs/dbraw/zinc/81/07/93/1012810793.db2.gz PSQBQOSHBUPONO-WOJBJXKFSA-N 1 2 359.420 2.610 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2C[C@]3(F)CN(C)C(=O)[C@]3(F)C2)c2ccccc21 ZINC001275669865 1012810802 /nfs/dbraw/zinc/81/08/02/1012810802.db2.gz PSQBQOSHBUPONO-WOJBJXKFSA-N 1 2 359.420 2.610 20 10 FFCDLO C[C@H]1CN(c2ccc(CNC(=O)CNc3cccc[nH+]3)cc2F)C[C@H](C)O1 ZINC000900268997 1020319756 /nfs/dbraw/zinc/31/97/56/1020319756.db2.gz HSESKLQRNJLHOO-GJZGRUSLSA-N 1 2 372.444 2.563 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000902849460 1020516660 /nfs/dbraw/zinc/51/66/60/1020516660.db2.gz OMCLCVHJUQOHCB-UHFFFAOYSA-N 1 2 353.470 2.934 20 10 FFCDLO COc1ccccc1C[NH+]1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000160124957 1022909198 /nfs/dbraw/zinc/90/91/98/1022909198.db2.gz IVMWTMQZUFJTKZ-UHFFFAOYSA-N 1 2 372.465 2.736 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000075832221 1023157853 /nfs/dbraw/zinc/15/78/53/1023157853.db2.gz RVZBNYFUIYMVME-UHFFFAOYSA-N 1 2 359.514 2.746 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000075832221 1023157859 /nfs/dbraw/zinc/15/78/59/1023157859.db2.gz RVZBNYFUIYMVME-UHFFFAOYSA-N 1 2 359.514 2.746 20 10 FFCDLO COc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)c(O)c1OC ZINC001119939515 1023172434 /nfs/dbraw/zinc/17/24/34/1023172434.db2.gz TXPXCAMFMTZJNN-UHFFFAOYSA-N 1 2 358.438 2.983 20 10 FFCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356989 1024090818 /nfs/dbraw/zinc/09/08/18/1024090818.db2.gz UVQMCHPPSVJLMX-IBGZPJMESA-N 1 2 371.437 2.681 20 10 FFCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356989 1024090830 /nfs/dbraw/zinc/09/08/30/1024090830.db2.gz UVQMCHPPSVJLMX-IBGZPJMESA-N 1 2 371.437 2.681 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3)CC2)cc1F ZINC000084866987 1025152163 /nfs/dbraw/zinc/15/21/63/1025152163.db2.gz TWHOCZYYKVPYRC-OAHLLOKOSA-N 1 2 357.429 2.984 20 10 FFCDLO CN1CCOc2cc(C[NH+]3CCN(c4ncccc4Cl)CC3)ccc21 ZINC001141143764 1025518327 /nfs/dbraw/zinc/51/83/27/1025518327.db2.gz JLRMLSYNVKMYOI-UHFFFAOYSA-N 1 2 358.873 2.886 20 10 FFCDLO Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141144991 1025521697 /nfs/dbraw/zinc/52/16/97/1025521697.db2.gz NQCWDRVMSGKRFT-UHFFFAOYSA-N 1 2 365.477 2.782 20 10 FFCDLO C[NH+](C)C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1 ZINC001141367590 1026042851 /nfs/dbraw/zinc/04/28/51/1026042851.db2.gz HEWCWNKDBKSLPW-GFCCVEGCSA-N 1 2 363.683 2.571 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)cc1F ZINC000838867785 1026522415 /nfs/dbraw/zinc/52/24/15/1026522415.db2.gz DOKXZPXLISWJIZ-UHFFFAOYSA-N 1 2 358.417 2.530 20 10 FFCDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N(C)C)c(F)c3)[nH+]cn2)C1 ZINC000840251976 1027021250 /nfs/dbraw/zinc/02/12/50/1027021250.db2.gz SHXBJTITDATUNC-UKRRQHHQSA-N 1 2 359.449 2.501 20 10 FFCDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N(C)C)c(F)c3)nc[nH+]2)C1 ZINC000840251976 1027021259 /nfs/dbraw/zinc/02/12/59/1027021259.db2.gz SHXBJTITDATUNC-UKRRQHHQSA-N 1 2 359.449 2.501 20 10 FFCDLO CCOc1cccc(C[N@@H+]2CCc3onc(C(=O)N(C)C(C)C)c3C2)c1O ZINC001203608142 1030782620 /nfs/dbraw/zinc/78/26/20/1030782620.db2.gz JFVCMYVRZSPFIU-UHFFFAOYSA-N 1 2 373.453 2.818 20 10 FFCDLO CCOc1cccc(C[N@H+]2CCc3onc(C(=O)N(C)C(C)C)c3C2)c1O ZINC001203608142 1030782638 /nfs/dbraw/zinc/78/26/38/1030782638.db2.gz JFVCMYVRZSPFIU-UHFFFAOYSA-N 1 2 373.453 2.818 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001203657868 1030807219 /nfs/dbraw/zinc/80/72/19/1030807219.db2.gz HOAJSULLPIRPJO-LJQANCHMSA-N 1 2 374.872 2.707 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001203657868 1030807242 /nfs/dbraw/zinc/80/72/42/1030807242.db2.gz HOAJSULLPIRPJO-LJQANCHMSA-N 1 2 374.872 2.707 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cnn(CC3CC3)c21 ZINC001203877721 1030953393 /nfs/dbraw/zinc/95/33/93/1030953393.db2.gz WRKJGDYXKLIZFC-QGZVFWFLSA-N 1 2 357.454 2.840 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cnn(CC3CC3)c21 ZINC001203877721 1030953412 /nfs/dbraw/zinc/95/34/12/1030953412.db2.gz WRKJGDYXKLIZFC-QGZVFWFLSA-N 1 2 357.454 2.840 20 10 FFCDLO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)[C@H](C(=O)OC)C1 ZINC001143111122 1031242419 /nfs/dbraw/zinc/24/24/19/1031242419.db2.gz YHTMMWQDKLMPHI-CJNGLKHVSA-N 1 2 363.454 2.616 20 10 FFCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)[C@H](C(=O)OC)C1 ZINC001143111122 1031242427 /nfs/dbraw/zinc/24/24/27/1031242427.db2.gz YHTMMWQDKLMPHI-CJNGLKHVSA-N 1 2 363.454 2.616 20 10 FFCDLO COc1cccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1O ZINC001150543562 1031736773 /nfs/dbraw/zinc/73/67/73/1031736773.db2.gz PLUVWLWQESKZJO-INIZCTEOSA-N 1 2 351.406 2.962 20 10 FFCDLO COC(=O)c1cc(Br)c(O)c(CN2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205843970 1032028684 /nfs/dbraw/zinc/02/86/84/1032028684.db2.gz UXLSUIOQGYCCIO-GWCFXTLKSA-N 1 2 371.275 2.501 20 10 FFCDLO Nc1ccc(CC(=O)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)cc1 ZINC001219459756 1033655678 /nfs/dbraw/zinc/65/56/78/1033655678.db2.gz LTQIGKRRSLBZGU-QGZVFWFLSA-N 1 2 361.392 2.826 20 10 FFCDLO COC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)Cc2nnn(C)c21 ZINC001138216806 1033967622 /nfs/dbraw/zinc/96/76/22/1033967622.db2.gz LVGLZGHOIKEMBI-KRWDZBQOSA-N 1 2 355.486 2.551 20 10 FFCDLO COC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)Cc2nnn(C)c21 ZINC001138216806 1033967627 /nfs/dbraw/zinc/96/76/27/1033967627.db2.gz LVGLZGHOIKEMBI-KRWDZBQOSA-N 1 2 355.486 2.551 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001220189866 1034033024 /nfs/dbraw/zinc/03/30/24/1034033024.db2.gz WYWXPUZLFHQZSO-AWEZNQCLSA-N 1 2 363.408 2.774 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097476 1034516531 /nfs/dbraw/zinc/51/65/31/1034516531.db2.gz HSFCQFRIUCHAJC-ORAYPTAESA-N 1 2 368.424 2.520 20 10 FFCDLO CCCCN1C(=O)COCC12C[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001277141355 1034756047 /nfs/dbraw/zinc/75/60/47/1034756047.db2.gz QUODSXYCBWOJJZ-UHFFFAOYSA-N 1 2 372.387 2.624 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001139129333 1034958344 /nfs/dbraw/zinc/95/83/44/1034958344.db2.gz WGNPLLCHRUOOHS-OAHLLOKOSA-N 1 2 352.390 2.855 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001139129333 1034958349 /nfs/dbraw/zinc/95/83/49/1034958349.db2.gz WGNPLLCHRUOOHS-OAHLLOKOSA-N 1 2 352.390 2.855 20 10 FFCDLO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129647 1034958835 /nfs/dbraw/zinc/95/88/35/1034958835.db2.gz BQDTVEZOSRHIGK-HXUWFJFHSA-N 1 2 359.422 2.972 20 10 FFCDLO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129647 1034958840 /nfs/dbraw/zinc/95/88/40/1034958840.db2.gz BQDTVEZOSRHIGK-HXUWFJFHSA-N 1 2 359.422 2.972 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001139127652 1034958982 /nfs/dbraw/zinc/95/89/82/1034958982.db2.gz MIXYFDHGGUVJMA-HNNXBMFYSA-N 1 2 370.449 2.641 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001139127652 1034958991 /nfs/dbraw/zinc/95/89/91/1034958991.db2.gz MIXYFDHGGUVJMA-HNNXBMFYSA-N 1 2 370.449 2.641 20 10 FFCDLO Cc1cc(C[N@@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)ccc1N(C)C ZINC001139672037 1035194481 /nfs/dbraw/zinc/19/44/81/1035194481.db2.gz RQIURGDTOLANIW-UHFFFAOYSA-N 1 2 368.481 2.843 20 10 FFCDLO Cc1cc(C[N@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)ccc1N(C)C ZINC001139672037 1035194482 /nfs/dbraw/zinc/19/44/82/1035194482.db2.gz RQIURGDTOLANIW-UHFFFAOYSA-N 1 2 368.481 2.843 20 10 FFCDLO Oc1ccc(F)cc1C[N@@H+]1CCCn2nnc(COc3cccnc3)c2C1 ZINC001140063272 1035327521 /nfs/dbraw/zinc/32/75/21/1035327521.db2.gz PKYOCPUKKVRUBU-UHFFFAOYSA-N 1 2 369.400 2.503 20 10 FFCDLO Oc1ccc(F)cc1C[N@H+]1CCCn2nnc(COc3cccnc3)c2C1 ZINC001140063272 1035327522 /nfs/dbraw/zinc/32/75/22/1035327522.db2.gz PKYOCPUKKVRUBU-UHFFFAOYSA-N 1 2 369.400 2.503 20 10 FFCDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000835028807 1035490118 /nfs/dbraw/zinc/49/01/18/1035490118.db2.gz SLBVWVPVMABTGG-PLNGDYQASA-N 1 2 365.477 2.929 20 10 FFCDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194718 1035494313 /nfs/dbraw/zinc/49/43/13/1035494313.db2.gz LEHQHADUJBHOKI-GOSISDBHSA-N 1 2 352.862 2.704 20 10 FFCDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194718 1035494316 /nfs/dbraw/zinc/49/43/16/1035494316.db2.gz LEHQHADUJBHOKI-GOSISDBHSA-N 1 2 352.862 2.704 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001140581392 1035662297 /nfs/dbraw/zinc/66/22/97/1035662297.db2.gz QYDQZJNNLIDBSL-IBGZPJMESA-N 1 2 360.408 2.953 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001140581392 1035662304 /nfs/dbraw/zinc/66/23/04/1035662304.db2.gz QYDQZJNNLIDBSL-IBGZPJMESA-N 1 2 360.408 2.953 20 10 FFCDLO O=C1N(Cc2cnoc2)CC[C@]12CCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277231795 1035670748 /nfs/dbraw/zinc/67/07/48/1035670748.db2.gz GDYPLHZBJAYGDR-GOSISDBHSA-N 1 2 361.829 2.801 20 10 FFCDLO O=C1N(Cc2cnoc2)CC[C@]12CCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277231795 1035670751 /nfs/dbraw/zinc/67/07/51/1035670751.db2.gz GDYPLHZBJAYGDR-GOSISDBHSA-N 1 2 361.829 2.801 20 10 FFCDLO COc1cnc(OC2CC[NH+](Cc3c(O)cc(F)cc3F)CC2)nc1 ZINC001140585372 1035670896 /nfs/dbraw/zinc/67/08/96/1035670896.db2.gz HHTOYMXVKNPOOC-UHFFFAOYSA-N 1 2 351.353 2.512 20 10 FFCDLO CCOCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232131 1035677809 /nfs/dbraw/zinc/67/78/09/1035677809.db2.gz LATDGGFVDCLYTO-HNNXBMFYSA-N 1 2 366.889 2.800 20 10 FFCDLO C[N@H+](Cc1cnc2ccccn12)Cc1ccc(N2CCOCC2)cc1F ZINC001140660611 1035810586 /nfs/dbraw/zinc/81/05/86/1035810586.db2.gz XUSSRTOGFWITPF-UHFFFAOYSA-N 1 2 354.429 2.942 20 10 FFCDLO C[N@@H+](Cc1cnc2ccccn12)Cc1ccc(N2CCOCC2)cc1F ZINC001140660611 1035810602 /nfs/dbraw/zinc/81/06/02/1035810602.db2.gz XUSSRTOGFWITPF-UHFFFAOYSA-N 1 2 354.429 2.942 20 10 FFCDLO Oc1cc(C[NH+]2CCC(Oc3cnc4ccccc4n3)CC2)cc(O)c1O ZINC001233015565 1036253519 /nfs/dbraw/zinc/25/35/19/1036253519.db2.gz SOTWUMVIQWTIIV-UHFFFAOYSA-N 1 2 367.405 2.790 20 10 FFCDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)[C@H](C(=O)OC)C1 ZINC001233286208 1036491972 /nfs/dbraw/zinc/49/19/72/1036491972.db2.gz KDTWDHHOWVDBSK-CJNGLKHVSA-N 1 2 363.454 2.616 20 10 FFCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)[C@H](C(=O)OC)C1 ZINC001233286208 1036491986 /nfs/dbraw/zinc/49/19/86/1036491986.db2.gz KDTWDHHOWVDBSK-CJNGLKHVSA-N 1 2 363.454 2.616 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335339 1036541561 /nfs/dbraw/zinc/54/15/61/1036541561.db2.gz QRTDPLNIWICCMT-GFCCVEGCSA-N 1 2 356.413 2.566 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335339 1036541572 /nfs/dbraw/zinc/54/15/72/1036541572.db2.gz QRTDPLNIWICCMT-GFCCVEGCSA-N 1 2 356.413 2.566 20 10 FFCDLO CC(C)(C)OC(=O)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233417978 1036610212 /nfs/dbraw/zinc/61/02/12/1036610212.db2.gz OUXCGVXKMGFLQE-UHFFFAOYSA-N 1 2 374.403 2.870 20 10 FFCDLO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485940 1036653853 /nfs/dbraw/zinc/65/38/53/1036653853.db2.gz QXBWCJJHVYEQOX-INIZCTEOSA-N 1 2 370.449 2.645 20 10 FFCDLO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233485940 1036653855 /nfs/dbraw/zinc/65/38/55/1036653855.db2.gz QXBWCJJHVYEQOX-INIZCTEOSA-N 1 2 370.449 2.645 20 10 FFCDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078601 1036929398 /nfs/dbraw/zinc/92/93/98/1036929398.db2.gz ANXTVKHGWGKBLH-LJQANCHMSA-N 1 2 358.482 2.539 20 10 FFCDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078601 1036929407 /nfs/dbraw/zinc/92/94/07/1036929407.db2.gz ANXTVKHGWGKBLH-LJQANCHMSA-N 1 2 358.482 2.539 20 10 FFCDLO CC[N@@H+]1CC[C@@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234748927 1037163881 /nfs/dbraw/zinc/16/38/81/1037163881.db2.gz NQRVVZAGNNGOAY-LLVKDONJSA-N 1 2 357.362 2.536 20 10 FFCDLO CC[N@H+]1CC[C@@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234748927 1037163887 /nfs/dbraw/zinc/16/38/87/1037163887.db2.gz NQRVVZAGNNGOAY-LLVKDONJSA-N 1 2 357.362 2.536 20 10 FFCDLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c(O)cc1O ZINC001231634683 1037755796 /nfs/dbraw/zinc/75/57/96/1037755796.db2.gz QOQZFZQDEXJBAD-INIZCTEOSA-N 1 2 357.406 2.814 20 10 FFCDLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c(O)cc1O ZINC001231634683 1037755817 /nfs/dbraw/zinc/75/58/17/1037755817.db2.gz QOQZFZQDEXJBAD-INIZCTEOSA-N 1 2 357.406 2.814 20 10 FFCDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC001231911830 1038005397 /nfs/dbraw/zinc/00/53/97/1038005397.db2.gz QRLKVYUSVQLCJJ-NUEKZKHPSA-N 1 2 352.862 2.550 20 10 FFCDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC001231911830 1038005417 /nfs/dbraw/zinc/00/54/17/1038005417.db2.gz QRLKVYUSVQLCJJ-NUEKZKHPSA-N 1 2 352.862 2.550 20 10 FFCDLO Oc1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)c(O)cc1Br ZINC001236775526 1038258424 /nfs/dbraw/zinc/25/84/24/1038258424.db2.gz OBRVSQQHICFMCG-ZDUSSCGKSA-N 1 2 350.216 2.987 20 10 FFCDLO Oc1cc(C[N@H+]2CCC[C@H]2c2cnccn2)c(O)cc1Br ZINC001236775526 1038258431 /nfs/dbraw/zinc/25/84/31/1038258431.db2.gz OBRVSQQHICFMCG-ZDUSSCGKSA-N 1 2 350.216 2.987 20 10 FFCDLO CCc1ccc(C[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)c(O)c1 ZINC001236788089 1038268752 /nfs/dbraw/zinc/26/87/52/1038268752.db2.gz QQSKGLUTZPQEQA-UHFFFAOYSA-N 1 2 351.454 2.802 20 10 FFCDLO CCc1ccc(C[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)c(O)c1 ZINC001236788089 1038268758 /nfs/dbraw/zinc/26/87/58/1038268758.db2.gz QQSKGLUTZPQEQA-UHFFFAOYSA-N 1 2 351.454 2.802 20 10 FFCDLO COc1cnc(O[C@H]2CC[N@H+](Cc3ccc(OC)c(Cl)c3O)C2)nc1 ZINC001236810283 1038285007 /nfs/dbraw/zinc/28/50/07/1038285007.db2.gz RJDBLFXVCJDYRW-LBPRGKRZSA-N 1 2 365.817 2.506 20 10 FFCDLO COc1cnc(O[C@H]2CC[N@@H+](Cc3ccc(OC)c(Cl)c3O)C2)nc1 ZINC001236810283 1038285012 /nfs/dbraw/zinc/28/50/12/1038285012.db2.gz RJDBLFXVCJDYRW-LBPRGKRZSA-N 1 2 365.817 2.506 20 10 FFCDLO COc1cc(C)c(C[N@@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236817101 1038290532 /nfs/dbraw/zinc/29/05/32/1038290532.db2.gz COWBCMOHHBFKBX-GJZGRUSLSA-N 1 2 354.422 2.756 20 10 FFCDLO COc1cc(C)c(C[N@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236817101 1038290536 /nfs/dbraw/zinc/29/05/36/1038290536.db2.gz COWBCMOHHBFKBX-GJZGRUSLSA-N 1 2 354.422 2.756 20 10 FFCDLO CC(C)CN1C[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278025664 1038345724 /nfs/dbraw/zinc/34/57/24/1038345724.db2.gz WNTWAJBBFVFDKB-GOSISDBHSA-N 1 2 370.852 2.644 20 10 FFCDLO CC(C)CN1C[C@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278025664 1038345738 /nfs/dbraw/zinc/34/57/38/1038345738.db2.gz WNTWAJBBFVFDKB-GOSISDBHSA-N 1 2 370.852 2.644 20 10 FFCDLO O=C(NC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1)c1ccncc1 ZINC001237125306 1038450960 /nfs/dbraw/zinc/45/09/60/1038450960.db2.gz CLVQWJSBBBESMB-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO OCC[N@H+](Cc1cc(Cl)cc(Br)c1O)C1CCOCC1 ZINC001331570088 1038860844 /nfs/dbraw/zinc/86/08/44/1038860844.db2.gz SWKQHUHLZRNKIH-UHFFFAOYSA-N 1 2 364.667 2.781 20 10 FFCDLO OCC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C1CCOCC1 ZINC001331570088 1038860865 /nfs/dbraw/zinc/86/08/65/1038860865.db2.gz SWKQHUHLZRNKIH-UHFFFAOYSA-N 1 2 364.667 2.781 20 10 FFCDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+]3Cc2c(O)cccc2Cl)CCC1 ZINC001278490172 1039840321 /nfs/dbraw/zinc/84/03/21/1039840321.db2.gz BQSNKHSTEHTKEP-OKILXGFUSA-N 1 2 364.873 2.790 20 10 FFCDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2c(O)cccc2Cl)CCC1 ZINC001278490172 1039840342 /nfs/dbraw/zinc/84/03/42/1039840342.db2.gz BQSNKHSTEHTKEP-OKILXGFUSA-N 1 2 364.873 2.790 20 10 FFCDLO CCOC(=O)c1cc2n(n1)C[C@H](C)[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC001262056166 1041535149 /nfs/dbraw/zinc/53/51/49/1041535149.db2.gz GVKFYZBWVPJBDT-ZDUSSCGKSA-N 1 2 366.421 2.718 20 10 FFCDLO CCOC(=O)c1cc2n(n1)C[C@H](C)[N@@H+](Cc1c(O)ccc3ccncc31)C2 ZINC001262056166 1041535158 /nfs/dbraw/zinc/53/51/58/1041535158.db2.gz GVKFYZBWVPJBDT-ZDUSSCGKSA-N 1 2 366.421 2.718 20 10 FFCDLO Oc1cccc(F)c1C[NH+]1CC2(CN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC001279421714 1043094771 /nfs/dbraw/zinc/09/47/71/1043094771.db2.gz NWUCCMXGHGMYEY-UHFFFAOYSA-N 1 2 352.413 2.725 20 10 FFCDLO COCC[N@H+](Cc1cc(Cl)cc(F)c1O)C1CCN(C(C)=O)CC1 ZINC001237621213 1043277371 /nfs/dbraw/zinc/27/73/71/1043277371.db2.gz XHRQAHIBLTWXEM-UHFFFAOYSA-N 1 2 358.841 2.644 20 10 FFCDLO COCC[N@@H+](Cc1cc(Cl)cc(F)c1O)C1CCN(C(C)=O)CC1 ZINC001237621213 1043277379 /nfs/dbraw/zinc/27/73/79/1043277379.db2.gz XHRQAHIBLTWXEM-UHFFFAOYSA-N 1 2 358.841 2.644 20 10 FFCDLO COc1cc(C[NH+]2CCN(CCc3ccccc3)CC2)c(O)c(OC)c1 ZINC001237676225 1043304994 /nfs/dbraw/zinc/30/49/94/1043304994.db2.gz LJUFVBYRMGOOQH-UHFFFAOYSA-N 1 2 356.466 2.770 20 10 FFCDLO O=S(=O)(Nc1cccc(N2CC[NH2+]CC2)c1)c1cc(Cl)ccc1F ZINC001237744414 1043336251 /nfs/dbraw/zinc/33/62/51/1043336251.db2.gz AKTQFLYMZZLVKJ-UHFFFAOYSA-N 1 2 369.849 2.690 20 10 FFCDLO Oc1c(I)cccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001237780560 1043352599 /nfs/dbraw/zinc/35/25/99/1043352599.db2.gz PICBVMANKLAUMC-AWEZNQCLSA-N 1 2 359.207 2.752 20 10 FFCDLO Oc1c(I)cccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001237780560 1043352607 /nfs/dbraw/zinc/35/26/07/1043352607.db2.gz PICBVMANKLAUMC-AWEZNQCLSA-N 1 2 359.207 2.752 20 10 FFCDLO C[NH+]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001237790023 1043361096 /nfs/dbraw/zinc/36/10/96/1043361096.db2.gz XDAAXRMEAZODBD-UHFFFAOYSA-N 1 2 353.182 2.921 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)c(Cl)c1 ZINC001279665866 1043430523 /nfs/dbraw/zinc/43/05/23/1043430523.db2.gz RIADASBAUWDSLV-BETUJISGSA-N 1 2 367.877 2.821 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)c(Cl)c1 ZINC001279665866 1043430528 /nfs/dbraw/zinc/43/05/28/1043430528.db2.gz RIADASBAUWDSLV-BETUJISGSA-N 1 2 367.877 2.821 20 10 FFCDLO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237944428 1043448530 /nfs/dbraw/zinc/44/85/30/1043448530.db2.gz UBDPNBWLQKWUKB-CYBMUJFWSA-N 1 2 358.841 2.644 20 10 FFCDLO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237944428 1043448536 /nfs/dbraw/zinc/44/85/36/1043448536.db2.gz UBDPNBWLQKWUKB-CYBMUJFWSA-N 1 2 358.841 2.644 20 10 FFCDLO O=C(Nc1c2nonc2ccc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001324139428 1045886146 /nfs/dbraw/zinc/88/61/46/1045886146.db2.gz BSKXYAUHSDYVRL-HNNXBMFYSA-N 1 2 372.812 2.716 20 10 FFCDLO O=C(Nc1c2nonc2ccc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001324139428 1045886157 /nfs/dbraw/zinc/88/61/57/1045886157.db2.gz BSKXYAUHSDYVRL-HNNXBMFYSA-N 1 2 372.812 2.716 20 10 FFCDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001460628984 1061039973 /nfs/dbraw/zinc/03/99/73/1061039973.db2.gz SVOZBVWRPOLUAJ-CQSZACIVSA-N 1 2 353.850 2.532 20 10 FFCDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001460628984 1061039987 /nfs/dbraw/zinc/03/99/87/1061039987.db2.gz SVOZBVWRPOLUAJ-CQSZACIVSA-N 1 2 353.850 2.532 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)Cc1c(C)cc(OC)cc1O ZINC001560896582 1076307788 /nfs/dbraw/zinc/30/77/88/1076307788.db2.gz CKWJPMRYPWULPM-UHFFFAOYSA-N 1 2 359.422 2.980 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)Cc1c(C)cc(OC)cc1O ZINC001560896582 1076307792 /nfs/dbraw/zinc/30/77/92/1076307792.db2.gz CKWJPMRYPWULPM-UHFFFAOYSA-N 1 2 359.422 2.980 20 10 FFCDLO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589960049 1080903836 /nfs/dbraw/zinc/90/38/36/1080903836.db2.gz ZNDOCSMRDBGWOD-ADLMAVQZSA-N 1 2 373.844 2.784 20 10 FFCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)C1([NH+]2CCOCC2)CCC1 ZINC000377101450 512123802 /nfs/dbraw/zinc/12/38/02/512123802.db2.gz BWCRYPCQJRSWND-UHFFFAOYSA-N 1 2 359.253 2.570 20 10 FFCDLO COc1ccc(N2CCC[N@H+](CCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000052465237 507810056 /nfs/dbraw/zinc/81/00/56/507810056.db2.gz RLKAMIFDNLPHPH-UHFFFAOYSA-N 1 2 374.506 2.681 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](CCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000052465237 507810057 /nfs/dbraw/zinc/81/00/57/507810057.db2.gz RLKAMIFDNLPHPH-UHFFFAOYSA-N 1 2 374.506 2.681 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)cc1F ZINC000084866811 508295228 /nfs/dbraw/zinc/29/52/28/508295228.db2.gz NGZDVIVWBZROIR-UHFFFAOYSA-N 1 2 369.400 2.602 20 10 FFCDLO C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000152908092 508530115 /nfs/dbraw/zinc/53/01/15/508530115.db2.gz INCATAAIOQJJMR-KBXCAEBGSA-N 1 2 359.449 2.881 20 10 FFCDLO C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000152907814 508530211 /nfs/dbraw/zinc/53/02/11/508530211.db2.gz INCATAAIOQJJMR-KDOFPFPSSA-N 1 2 359.449 2.881 20 10 FFCDLO CCS(=O)(=O)c1ccc2oc(C[N@H+](C)Cc3ccccc3O)nc2c1 ZINC000137277896 508749025 /nfs/dbraw/zinc/74/90/25/508749025.db2.gz QMKJEEXRFIUHCD-UHFFFAOYSA-N 1 2 360.435 2.959 20 10 FFCDLO CCS(=O)(=O)c1ccc2oc(C[N@@H+](C)Cc3ccccc3O)nc2c1 ZINC000137277896 508749028 /nfs/dbraw/zinc/74/90/28/508749028.db2.gz QMKJEEXRFIUHCD-UHFFFAOYSA-N 1 2 360.435 2.959 20 10 FFCDLO C[C@@H](O)C[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000130739861 508839569 /nfs/dbraw/zinc/83/95/69/508839569.db2.gz WXAKSSOVOYGBLO-SSDOTTSWSA-N 1 2 353.054 2.730 20 10 FFCDLO C[C@@H](O)C[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000130739861 508839570 /nfs/dbraw/zinc/83/95/70/508839570.db2.gz WXAKSSOVOYGBLO-SSDOTTSWSA-N 1 2 353.054 2.730 20 10 FFCDLO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)C(=O)N1CCOCC1 ZINC000185665588 509294616 /nfs/dbraw/zinc/29/46/16/509294616.db2.gz CIOQUONJXVQKET-MFKMUULPSA-N 1 2 361.269 2.987 20 10 FFCDLO O=C(c1cccc(O)c1O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000185901954 509416487 /nfs/dbraw/zinc/41/64/87/509416487.db2.gz CKOCGNUYYOHATM-UHFFFAOYSA-N 1 2 363.417 2.736 20 10 FFCDLO COc1cc(O)c(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1OC ZINC000180248869 509832807 /nfs/dbraw/zinc/83/28/07/509832807.db2.gz JZIMFIIWRCZVKP-OAHLLOKOSA-N 1 2 357.454 2.683 20 10 FFCDLO COc1ccc(N2CCC[N@H+](Cc3nnc(C4CCC4)n3C)CC2)cc1 ZINC000181128785 510284054 /nfs/dbraw/zinc/28/40/54/510284054.db2.gz OVMQPAVCRCVJLJ-UHFFFAOYSA-N 1 2 355.486 2.804 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](Cc3nnc(C4CCC4)n3C)CC2)cc1 ZINC000181128785 510284060 /nfs/dbraw/zinc/28/40/60/510284060.db2.gz OVMQPAVCRCVJLJ-UHFFFAOYSA-N 1 2 355.486 2.804 20 10 FFCDLO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)CC2 ZINC000185317810 510803199 /nfs/dbraw/zinc/80/31/99/510803199.db2.gz CESANXCONMCAOL-KWQFWETISA-N 1 2 369.238 2.859 20 10 FFCDLO COc1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)ccc1OCCO ZINC000276967691 510951240 /nfs/dbraw/zinc/95/12/40/510951240.db2.gz SWWKBUOHSQGIRC-NSHDSACASA-N 1 2 353.365 2.901 20 10 FFCDLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278236147 510986240 /nfs/dbraw/zinc/98/62/40/510986240.db2.gz NFJURFNAXHRQML-UHFFFAOYSA-N 1 2 350.371 2.859 20 10 FFCDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278236147 510986245 /nfs/dbraw/zinc/98/62/45/510986245.db2.gz NFJURFNAXHRQML-UHFFFAOYSA-N 1 2 350.371 2.859 20 10 FFCDLO COc1c(O)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278497329 510995141 /nfs/dbraw/zinc/99/51/41/510995141.db2.gz MWRJHXCDYKXZPW-UHFFFAOYSA-N 1 2 362.304 2.652 20 10 FFCDLO COc1c(O)c(C[NH2+]C2(c3noc(C)n3)CCCCC2)ccc1[N+](=O)[O-] ZINC000278629530 511001734 /nfs/dbraw/zinc/00/17/34/511001734.db2.gz GRLPXLKWMRYGDV-UHFFFAOYSA-N 1 2 362.386 2.950 20 10 FFCDLO CCCOc1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)c(O)c1 ZINC000291068472 511157902 /nfs/dbraw/zinc/15/79/02/511157902.db2.gz LFZCIPHRGSIMJC-UHFFFAOYSA-N 1 2 369.465 2.725 20 10 FFCDLO CCCOc1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)c(O)c1 ZINC000291068472 511157910 /nfs/dbraw/zinc/15/79/10/511157910.db2.gz LFZCIPHRGSIMJC-UHFFFAOYSA-N 1 2 369.465 2.725 20 10 FFCDLO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273415769 511524482 /nfs/dbraw/zinc/52/44/82/511524482.db2.gz QVDFJDUISHPWDE-DIFFPNOSSA-N 1 2 362.382 2.702 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273480398 511529066 /nfs/dbraw/zinc/52/90/66/511529066.db2.gz UGXFSUWUGHORAI-GUYCJALGSA-N 1 2 370.409 2.537 20 10 FFCDLO O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000296378985 511719911 /nfs/dbraw/zinc/71/99/11/511719911.db2.gz SZPDXEYMPBFVRB-LBPRGKRZSA-N 1 2 359.401 2.790 20 10 FFCDLO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1cccc(Cl)c1O ZINC000367694963 512619583 /nfs/dbraw/zinc/61/95/83/512619583.db2.gz WYSRSRSEMNQEEA-UHFFFAOYSA-N 1 2 365.861 2.780 20 10 FFCDLO CS(=O)(=O)N1CC[N@H+](Cc2cccc(Cl)c2O)Cc2ccccc21 ZINC000378442477 512761168 /nfs/dbraw/zinc/76/11/68/512761168.db2.gz ODYTUBMGRWGZLB-UHFFFAOYSA-N 1 2 366.870 2.827 20 10 FFCDLO CS(=O)(=O)N1CC[N@@H+](Cc2cccc(Cl)c2O)Cc2ccccc21 ZINC000378442477 512761173 /nfs/dbraw/zinc/76/11/73/512761173.db2.gz ODYTUBMGRWGZLB-UHFFFAOYSA-N 1 2 366.870 2.827 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000509412318 515164243 /nfs/dbraw/zinc/16/42/43/515164243.db2.gz ZBTYSHANGHIVSP-HXUWFJFHSA-N 1 2 355.482 2.604 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000509412318 515164253 /nfs/dbraw/zinc/16/42/53/515164253.db2.gz ZBTYSHANGHIVSP-HXUWFJFHSA-N 1 2 355.482 2.604 20 10 FFCDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866064 728426540 /nfs/dbraw/zinc/42/65/40/728426540.db2.gz JCNMBPWOXUSHTF-OAHLLOKOSA-N 1 2 351.466 2.651 20 10 FFCDLO Oc1c(Cl)cc(Cl)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000119526568 728595636 /nfs/dbraw/zinc/59/56/36/728595636.db2.gz FYUSDQOUIHPPIB-UHFFFAOYSA-N 1 2 358.313 2.912 20 10 FFCDLO Cc1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)s1 ZINC000255543183 729642317 /nfs/dbraw/zinc/64/23/17/729642317.db2.gz ZTZSJFCSLDHKPL-SDNWHVSQSA-N 1 2 368.549 2.980 20 10 FFCDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000825104121 743210225 /nfs/dbraw/zinc/21/02/25/743210225.db2.gz OCWMHMIODOIRNY-RDDDGLTNSA-N 1 2 365.065 2.872 20 10 FFCDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000825104121 743210219 /nfs/dbraw/zinc/21/02/19/743210219.db2.gz OCWMHMIODOIRNY-RDDDGLTNSA-N 1 2 365.065 2.872 20 10 FFCDLO COCc1nc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)cs1 ZINC000873127917 731878318 /nfs/dbraw/zinc/87/83/18/731878318.db2.gz WSDATAWGUYHFAZ-UHFFFAOYSA-N 1 2 358.467 2.833 20 10 FFCDLO COc1ccc(N2CCC[N@H+](Cc3nccn3CC(F)F)CC2)cc1 ZINC000877983277 732462533 /nfs/dbraw/zinc/46/25/33/732462533.db2.gz IJXOQBHGQWMKHW-UHFFFAOYSA-N 1 2 350.413 2.869 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](Cc3nccn3CC(F)F)CC2)cc1 ZINC000877983277 732462537 /nfs/dbraw/zinc/46/25/37/732462537.db2.gz IJXOQBHGQWMKHW-UHFFFAOYSA-N 1 2 350.413 2.869 20 10 FFCDLO C[S@@](=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCC1 ZINC000715720610 734371786 /nfs/dbraw/zinc/37/17/86/734371786.db2.gz JBKJCNBIDHLMJY-LJQANCHMSA-N 1 2 350.253 2.685 20 10 FFCDLO NC(=O)CC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000893946451 734776004 /nfs/dbraw/zinc/77/60/04/734776004.db2.gz PDEYKOCMXNJHBQ-UHFFFAOYSA-N 1 2 361.667 2.896 20 10 FFCDLO COC(=O)c1cnc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000894191477 734815478 /nfs/dbraw/zinc/81/54/78/734815478.db2.gz LSPVTWUABCXOJM-UHFFFAOYSA-N 1 2 363.508 2.773 20 10 FFCDLO CCN(CC)c1ccc(C[NH2+]Cc2nc(Br)nn2C)cc1F ZINC000894252017 734825455 /nfs/dbraw/zinc/82/54/55/734825455.db2.gz CKQOERLDNPWECO-UHFFFAOYSA-N 1 2 370.270 2.853 20 10 FFCDLO Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCSCC3)cc2)c[nH+]1 ZINC000895772175 735054163 /nfs/dbraw/zinc/05/41/63/735054163.db2.gz PPHKWGYECOMQBQ-UHFFFAOYSA-N 1 2 358.511 2.796 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000896455401 735164562 /nfs/dbraw/zinc/16/45/62/735164562.db2.gz GKCWVTTUMIIOKP-SNVBAGLBSA-N 1 2 352.334 2.789 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000896455401 735164565 /nfs/dbraw/zinc/16/45/65/735164565.db2.gz GKCWVTTUMIIOKP-SNVBAGLBSA-N 1 2 352.334 2.789 20 10 FFCDLO C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(Br)cc(F)c1O ZINC000903419767 736089653 /nfs/dbraw/zinc/08/96/53/736089653.db2.gz GQJJUVHZKRHSFZ-VIFPVBQESA-N 1 2 370.222 2.871 20 10 FFCDLO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000756535137 736339659 /nfs/dbraw/zinc/33/96/59/736339659.db2.gz OTEPFMNRANBRSA-QWRGUYRKSA-N 1 2 361.255 2.665 20 10 FFCDLO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000756555150 736341992 /nfs/dbraw/zinc/34/19/92/736341992.db2.gz SFRPOGLNIFCTPO-CMPLNLGQSA-N 1 2 361.255 2.665 20 10 FFCDLO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756554165 736342357 /nfs/dbraw/zinc/34/23/57/736342357.db2.gz OFAVXPZEDFTQOB-QWRGUYRKSA-N 1 2 361.255 2.665 20 10 FFCDLO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000763405055 736936148 /nfs/dbraw/zinc/93/61/48/736936148.db2.gz RLWOCIZVFFJLBX-UHFFFAOYSA-N 1 2 369.870 2.756 20 10 FFCDLO C[N@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000792165827 739644974 /nfs/dbraw/zinc/64/49/74/739644974.db2.gz LFAAKPUJTZFWAL-SNVBAGLBSA-N 1 2 354.731 2.780 20 10 FFCDLO C[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000792165827 739644976 /nfs/dbraw/zinc/64/49/76/739644976.db2.gz LFAAKPUJTZFWAL-SNVBAGLBSA-N 1 2 354.731 2.780 20 10 FFCDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1Cl ZINC000795670092 740050680 /nfs/dbraw/zinc/05/06/80/740050680.db2.gz LHBVYZUETIWMMJ-UHFFFAOYSA-N 1 2 366.830 2.739 20 10 FFCDLO COCC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000798940386 740375338 /nfs/dbraw/zinc/37/53/38/740375338.db2.gz GNXBWILLTWVTFP-WCBMZHEXSA-N 1 2 352.656 2.856 20 10 FFCDLO C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cc(F)cc(F)c1O ZINC000800504964 740529616 /nfs/dbraw/zinc/52/96/16/740529616.db2.gz QUTVLQKQQAKOBG-CYBMUJFWSA-N 1 2 369.433 2.979 20 10 FFCDLO C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)c(F)cc1O ZINC000815640525 741949740 /nfs/dbraw/zinc/94/97/40/741949740.db2.gz ZVNRNAJCZGZRGO-VIFPVBQESA-N 1 2 357.227 2.706 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1F ZINC000816619546 742047873 /nfs/dbraw/zinc/04/78/73/742047873.db2.gz LOPLZUCJQMOUNM-INIZCTEOSA-N 1 2 356.507 2.929 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1F ZINC000816619546 742047876 /nfs/dbraw/zinc/04/78/76/742047876.db2.gz LOPLZUCJQMOUNM-INIZCTEOSA-N 1 2 356.507 2.929 20 10 FFCDLO Cc1c(Cl)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nn1C ZINC000817407471 742138897 /nfs/dbraw/zinc/13/88/97/742138897.db2.gz PQSSMOJBXUBXDP-UHFFFAOYSA-N 1 2 352.841 2.647 20 10 FFCDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000824616496 743117445 /nfs/dbraw/zinc/11/74/45/743117445.db2.gz WQSCHQYNBUWQFW-GFCCVEGCSA-N 1 2 357.248 2.817 20 10 FFCDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000824616496 743117451 /nfs/dbraw/zinc/11/74/51/743117451.db2.gz WQSCHQYNBUWQFW-GFCCVEGCSA-N 1 2 357.248 2.817 20 10 FFCDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715793 743316727 /nfs/dbraw/zinc/31/67/27/743316727.db2.gz GSJUNIFVPBWFGI-ZDUSSCGKSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715793 743316735 /nfs/dbraw/zinc/31/67/35/743316735.db2.gz GSJUNIFVPBWFGI-ZDUSSCGKSA-N 1 2 362.289 2.554 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000832298276 745674318 /nfs/dbraw/zinc/67/43/18/745674318.db2.gz KQRRTEGAGVPFJS-LKFCYVNXSA-N 1 2 351.752 2.993 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000832298276 745674320 /nfs/dbraw/zinc/67/43/20/745674320.db2.gz KQRRTEGAGVPFJS-LKFCYVNXSA-N 1 2 351.752 2.993 20 10 FFCDLO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(F)cc(F)c1O ZINC000834840305 745912368 /nfs/dbraw/zinc/91/23/68/745912368.db2.gz IVINVHVIFCXUJT-VIFPVBQESA-N 1 2 373.197 2.945 20 10 FFCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCn3c(nnc3C(F)(F)F)C2)cc1 ZINC000835028555 745933183 /nfs/dbraw/zinc/93/31/83/745933183.db2.gz LZERSXGXQZAGIN-ARJAWSKDSA-N 1 2 351.376 2.892 20 10 FFCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCn3c(nnc3C(F)(F)F)C2)cc1 ZINC000835028555 745933186 /nfs/dbraw/zinc/93/31/86/745933186.db2.gz LZERSXGXQZAGIN-ARJAWSKDSA-N 1 2 351.376 2.892 20 10 FFCDLO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000835067382 745943289 /nfs/dbraw/zinc/94/32/89/745943289.db2.gz QUNVOXQHXMILDN-CYBMUJFWSA-N 1 2 374.840 2.910 20 10 FFCDLO Cc1cc(C(=O)N2CC[N@H+](Cc3cc(Cl)cc(C)c3O)[C@H](C)C2)[nH]n1 ZINC000835072460 745945202 /nfs/dbraw/zinc/94/52/02/745945202.db2.gz AYEYLZXLEXBZEJ-CYBMUJFWSA-N 1 2 362.861 2.732 20 10 FFCDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3cc(Cl)cc(C)c3O)[C@H](C)C2)[nH]n1 ZINC000835072460 745945203 /nfs/dbraw/zinc/94/52/03/745945203.db2.gz AYEYLZXLEXBZEJ-CYBMUJFWSA-N 1 2 362.861 2.732 20 10 FFCDLO O[C@H]1COCC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839124280 746781157 /nfs/dbraw/zinc/78/11/57/746781157.db2.gz WDNZIZNTEHDXSR-OAHLLOKOSA-N 1 2 369.303 2.633 20 10 FFCDLO O[C@H]1COCC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839124280 746781160 /nfs/dbraw/zinc/78/11/60/746781160.db2.gz WDNZIZNTEHDXSR-OAHLLOKOSA-N 1 2 369.303 2.633 20 10 FFCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000846108583 748408822 /nfs/dbraw/zinc/40/88/22/748408822.db2.gz PCWKDDUMVRPTBC-DJSGYFEHSA-N 1 2 371.861 2.891 20 10 FFCDLO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000850354198 749350724 /nfs/dbraw/zinc/35/07/24/749350724.db2.gz XWFCLRKDARRYFF-NJZAAPMLSA-N 1 2 358.276 2.810 20 10 FFCDLO O=C(NCCCNc1cccc[nH+]1)NCc1ccc(N2CCCC2)cc1 ZINC000046944409 962394974 /nfs/dbraw/zinc/39/49/74/962394974.db2.gz GKZKUCSJUJPKKJ-UHFFFAOYSA-N 1 2 353.470 2.983 20 10 FFCDLO CC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000050991832 963854264 /nfs/dbraw/zinc/85/42/64/963854264.db2.gz WGWZDJJFPSJJIJ-UHFFFAOYSA-N 1 2 353.466 2.877 20 10 FFCDLO COc1ccc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(O)c1OC ZINC000892044526 965884187 /nfs/dbraw/zinc/88/41/87/965884187.db2.gz LEEZPQGLMPDPEQ-HNNXBMFYSA-N 1 2 357.454 2.683 20 10 FFCDLO COC(=O)c1c(C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c2cc(F)ccc2n1C ZINC000895011017 967158077 /nfs/dbraw/zinc/15/80/77/967158077.db2.gz DTQZPTFXLVYACP-GFCCVEGCSA-N 1 2 371.416 2.520 20 10 FFCDLO COC(=O)c1c(C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c2cc(F)ccc2n1C ZINC000895011017 967158083 /nfs/dbraw/zinc/15/80/83/967158083.db2.gz DTQZPTFXLVYACP-GFCCVEGCSA-N 1 2 371.416 2.520 20 10 FFCDLO C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1O ZINC000874996909 1013943229 /nfs/dbraw/zinc/94/32/29/1013943229.db2.gz JDKACZKSCSXOAR-WMZOPIPTSA-N 1 2 369.465 2.653 20 10 FFCDLO C[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1O ZINC000874996909 1013943234 /nfs/dbraw/zinc/94/32/34/1013943234.db2.gz JDKACZKSCSXOAR-WMZOPIPTSA-N 1 2 369.465 2.653 20 10 FFCDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)Cc3cccnc3N2C1 ZINC000895439577 970617371 /nfs/dbraw/zinc/61/73/71/970617371.db2.gz DHQJURMKEFNITF-CVEARBPZSA-N 1 2 361.392 2.675 20 10 FFCDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)Cc3cccnc3N2C1 ZINC000895439577 970617376 /nfs/dbraw/zinc/61/73/76/970617376.db2.gz DHQJURMKEFNITF-CVEARBPZSA-N 1 2 361.392 2.675 20 10 FFCDLO CNC(=O)CC[N@H+](C)CC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000728928169 977515153 /nfs/dbraw/zinc/51/51/53/977515153.db2.gz OETLZXNFYHVDHE-UHFFFAOYSA-N 1 2 355.482 2.962 20 10 FFCDLO CNC(=O)CC[N@@H+](C)CC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000728928169 977515160 /nfs/dbraw/zinc/51/51/60/977515160.db2.gz OETLZXNFYHVDHE-UHFFFAOYSA-N 1 2 355.482 2.962 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000057548278 984503492 /nfs/dbraw/zinc/50/34/92/984503492.db2.gz IZHYIQWHEVUPRG-MBOZVWFJSA-N 1 2 359.514 2.901 20 10 FFCDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152538948 987353845 /nfs/dbraw/zinc/35/38/45/987353845.db2.gz WJBGQCCLJCMWQD-HNNXBMFYSA-N 1 2 361.405 2.654 20 10 FFCDLO NC(=O)c1c[nH]c2nc[nH+]c(NCc3cc(Cl)c4cccnc4c3O)c12 ZINC001168521756 989998345 /nfs/dbraw/zinc/99/83/45/989998345.db2.gz JGOGYMVEJMTGTN-UHFFFAOYSA-N 1 2 368.784 2.528 20 10 FFCDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(O)c1O ZINC000182955585 992318740 /nfs/dbraw/zinc/31/87/40/992318740.db2.gz DSXMVMGLESFPDS-HZPDHXFCSA-N 1 2 362.376 2.860 20 10 FFCDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(O)c1O ZINC000182955585 992318750 /nfs/dbraw/zinc/31/87/50/992318750.db2.gz DSXMVMGLESFPDS-HZPDHXFCSA-N 1 2 362.376 2.860 20 10 FFCDLO Cc1cc(N2CC=C(CCNC(=O)[C@H]3CC[C@@H](C)O3)CC2)nc(C2CC2)[nH+]1 ZINC001089864741 992655274 /nfs/dbraw/zinc/65/52/74/992655274.db2.gz CNRGTTSCHCCJKB-CRAIPNDOSA-N 1 2 370.497 2.873 20 10 FFCDLO Cc1nc(N2CC=C(CCNC(=O)[C@H]3CC[C@@H](C)O3)CC2)c(C)c(C)[nH+]1 ZINC001089864771 992655291 /nfs/dbraw/zinc/65/52/91/992655291.db2.gz FICMITUUQYHFCM-FZKQIMNGSA-N 1 2 358.486 2.612 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1cccc(C)c1 ZINC001136875055 996935574 /nfs/dbraw/zinc/93/55/74/996935574.db2.gz WWZUQOFDZGJWBF-UTKZUKDTSA-N 1 2 368.525 2.767 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C)n1-c1cccc(C)c1 ZINC001136875055 996935585 /nfs/dbraw/zinc/93/55/85/996935585.db2.gz WWZUQOFDZGJWBF-UTKZUKDTSA-N 1 2 368.525 2.767 20 10 FFCDLO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C1=CC(=O)CS1 ZINC000731870092 998312043 /nfs/dbraw/zinc/31/20/43/998312043.db2.gz BXJCSLURVUOOTG-UHFFFAOYSA-N 1 2 373.522 2.782 20 10 FFCDLO CCOc1ccc(N(C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000740423491 999673984 /nfs/dbraw/zinc/67/39/84/999673984.db2.gz JNEFFRXIOJBWFY-UHFFFAOYSA-N 1 2 373.522 2.927 20 10 FFCDLO Cc1nc(N(C)C)nc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[nH+]1 ZINC000768521600 1000280687 /nfs/dbraw/zinc/28/06/87/1000280687.db2.gz AAKZUSAGKQEWQV-STQMWFEESA-N 1 2 374.464 2.611 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1Cc3ccccc3[C@@H]1C)cc2=O ZINC000746673023 1001683189 /nfs/dbraw/zinc/68/31/89/1001683189.db2.gz XGTLSMXZOCANIK-LBPRGKRZSA-N 1 2 352.394 2.688 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1Cc3ccccc3[C@@H]1C)cc2=O ZINC000746673023 1001683191 /nfs/dbraw/zinc/68/31/91/1001683191.db2.gz XGTLSMXZOCANIK-LBPRGKRZSA-N 1 2 352.394 2.688 20 10 FFCDLO CN(C)c1ccc(CNc2nc(NCCO)c3ccccc3[nH+]2)cc1F ZINC000746722031 1001736145 /nfs/dbraw/zinc/73/61/45/1001736145.db2.gz VGFXLWAPLDENRA-UHFFFAOYSA-N 1 2 355.417 2.851 20 10 FFCDLO COCC[N@H+](C)Cc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379164 1006074058 /nfs/dbraw/zinc/07/40/58/1006074058.db2.gz LHROWOQSGDBEMR-UHFFFAOYSA-N 1 2 357.502 2.703 20 10 FFCDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379164 1006074070 /nfs/dbraw/zinc/07/40/70/1006074070.db2.gz LHROWOQSGDBEMR-UHFFFAOYSA-N 1 2 357.502 2.703 20 10 FFCDLO COc1cc(C)c(C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c(O)c1 ZINC001181945449 1010316633 /nfs/dbraw/zinc/31/66/33/1010316633.db2.gz LZKMHWMEWUAHNT-UHFFFAOYSA-N 1 2 350.422 2.848 20 10 FFCDLO COc1cc(C)c(C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c(O)c1 ZINC001181945449 1010316641 /nfs/dbraw/zinc/31/66/41/1010316641.db2.gz LZKMHWMEWUAHNT-UHFFFAOYSA-N 1 2 350.422 2.848 20 10 FFCDLO Cc1ccc(C[N@@H+]2C[C@]3(F)CN(C4CCCC4)C(=O)[C@]3(F)C2)c(O)c1 ZINC001275388378 1012411872 /nfs/dbraw/zinc/41/18/72/1012411872.db2.gz QJNATRIQJAYKES-RBUKOAKNSA-N 1 2 350.409 2.718 20 10 FFCDLO Cc1ccc(C[N@H+]2C[C@]3(F)CN(C4CCCC4)C(=O)[C@]3(F)C2)c(O)c1 ZINC001275388378 1012411882 /nfs/dbraw/zinc/41/18/82/1012411882.db2.gz QJNATRIQJAYKES-RBUKOAKNSA-N 1 2 350.409 2.718 20 10 FFCDLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCCc1ccc(O)c(O)c1 ZINC001137464526 1018610406 /nfs/dbraw/zinc/61/04/06/1018610406.db2.gz DAKUMGFZGDOCFD-INIZCTEOSA-N 1 2 351.406 2.702 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001137834871 1033170939 /nfs/dbraw/zinc/17/09/39/1033170939.db2.gz WSOAQOOQOMTWCC-YSIASYRMSA-N 1 2 358.413 2.875 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001137834871 1033170946 /nfs/dbraw/zinc/17/09/46/1033170946.db2.gz WSOAQOOQOMTWCC-YSIASYRMSA-N 1 2 358.413 2.875 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1C ZINC000779623724 1024288300 /nfs/dbraw/zinc/28/83/00/1024288300.db2.gz HJKSIYIUISANKJ-UHFFFAOYSA-N 1 2 372.490 2.586 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N([C@H](C)C3CC3)C3CC3)CC2)cc1 ZINC000079808944 1024375033 /nfs/dbraw/zinc/37/50/33/1024375033.db2.gz DBTKPHJPNLVQDM-MRXNPFEDSA-N 1 2 357.498 2.607 20 10 FFCDLO CN1CCOc2cc(C[N@@H+]3CCO[C@@H](COc4ccccc4)C3)ccc21 ZINC001141144981 1025521881 /nfs/dbraw/zinc/52/18/81/1025521881.db2.gz NDFRCNDOFYTQJV-LJQANCHMSA-N 1 2 354.450 2.795 20 10 FFCDLO CN1CCOc2cc(C[N@H+]3CCO[C@@H](COc4ccccc4)C3)ccc21 ZINC001141144981 1025521886 /nfs/dbraw/zinc/52/18/86/1025521886.db2.gz NDFRCNDOFYTQJV-LJQANCHMSA-N 1 2 354.450 2.795 20 10 FFCDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(N4CCCC4)cc3)[nH+]cn2)C1 ZINC000840242937 1027016355 /nfs/dbraw/zinc/01/63/55/1027016355.db2.gz FHFVPTGAERLONE-WMZOPIPTSA-N 1 2 367.497 2.896 20 10 FFCDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(N4CCCC4)cc3)nc[nH+]2)C1 ZINC000840242937 1027016361 /nfs/dbraw/zinc/01/63/61/1027016361.db2.gz FHFVPTGAERLONE-WMZOPIPTSA-N 1 2 367.497 2.896 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000840481486 1027089957 /nfs/dbraw/zinc/08/99/57/1027089957.db2.gz JHKCYEWPVLHSCY-QGZVFWFLSA-N 1 2 357.502 2.920 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)c(Cl)c1 ZINC000840947106 1029941884 /nfs/dbraw/zinc/94/18/84/1029941884.db2.gz ZZECTUHWBKVYQB-IBGZPJMESA-N 1 2 373.884 2.698 20 10 FFCDLO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c(O)c1 ZINC001203621459 1030788070 /nfs/dbraw/zinc/78/80/70/1030788070.db2.gz VBNFFKIPCKUMFK-AWEZNQCLSA-N 1 2 354.422 2.792 20 10 FFCDLO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c(O)c1 ZINC001203621459 1030788085 /nfs/dbraw/zinc/78/80/85/1030788085.db2.gz VBNFFKIPCKUMFK-AWEZNQCLSA-N 1 2 354.422 2.792 20 10 FFCDLO COc1ccc(C[N@@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)c(O)c1 ZINC001203634934 1030798893 /nfs/dbraw/zinc/79/88/93/1030798893.db2.gz BSTZTTDSDVKVKB-OAHLLOKOSA-N 1 2 351.443 2.724 20 10 FFCDLO COc1ccc(C[N@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)c(O)c1 ZINC001203634934 1030798907 /nfs/dbraw/zinc/79/89/07/1030798907.db2.gz BSTZTTDSDVKVKB-OAHLLOKOSA-N 1 2 351.443 2.724 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)cc1O ZINC001203876889 1030950706 /nfs/dbraw/zinc/95/07/06/1030950706.db2.gz LIONHZXZLSNGLP-GPMSIDNRSA-N 1 2 356.422 2.551 20 10 FFCDLO Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)cc1O ZINC001203876889 1030950712 /nfs/dbraw/zinc/95/07/12/1030950712.db2.gz LIONHZXZLSNGLP-GPMSIDNRSA-N 1 2 356.422 2.551 20 10 FFCDLO CCCn1c[nH+]cc1CN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001204867630 1031457915 /nfs/dbraw/zinc/45/79/15/1031457915.db2.gz XBLCCAZJAGDFAW-UHFFFAOYSA-N 1 2 351.834 2.827 20 10 FFCDLO CO[C@@H]1CCN(Cc2cccc(F)c2O)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001138125625 1033803177 /nfs/dbraw/zinc/80/31/77/1033803177.db2.gz UUSNTVYQOVIJPU-DFQSSKMNSA-N 1 2 371.456 2.648 20 10 FFCDLO CO[C@@H]1CCN(Cc2cccc(F)c2O)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001138125625 1033803181 /nfs/dbraw/zinc/80/31/81/1033803181.db2.gz UUSNTVYQOVIJPU-DFQSSKMNSA-N 1 2 371.456 2.648 20 10 FFCDLO C[N@@H+]1CC[C@@H](Oc2cc(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)C1 ZINC001227029248 1034914591 /nfs/dbraw/zinc/91/45/91/1034914591.db2.gz GRSUEDXWNCQKSJ-CYBMUJFWSA-N 1 2 369.373 2.660 20 10 FFCDLO C[N@H+]1CC[C@@H](Oc2cc(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)C1 ZINC001227029248 1034914595 /nfs/dbraw/zinc/91/45/95/1034914595.db2.gz GRSUEDXWNCQKSJ-CYBMUJFWSA-N 1 2 369.373 2.660 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001139127006 1034957295 /nfs/dbraw/zinc/95/72/95/1034957295.db2.gz ATYYIWSNRLTXHB-UHFFFAOYSA-N 1 2 364.392 2.722 20 10 FFCDLO COC(=O)CC[N@H+](Cc1ccco1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129438 1034958785 /nfs/dbraw/zinc/95/87/85/1034958785.db2.gz ZQPRCLGHWBFGPL-UHFFFAOYSA-N 1 2 371.389 2.965 20 10 FFCDLO COC(=O)CC[N@@H+](Cc1ccco1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129438 1034958789 /nfs/dbraw/zinc/95/87/89/1034958789.db2.gz ZQPRCLGHWBFGPL-UHFFFAOYSA-N 1 2 371.389 2.965 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3cnc4c(c3)OCCO4)CC2)cc1 ZINC001139737237 1035213857 /nfs/dbraw/zinc/21/38/57/1035213857.db2.gz FTQUAYZHNMNUHG-UHFFFAOYSA-N 1 2 355.438 2.574 20 10 FFCDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1O ZINC001140060508 1035327038 /nfs/dbraw/zinc/32/70/38/1035327038.db2.gz ZKJKOZKBUCSSBS-LJQANCHMSA-N 1 2 372.440 2.781 20 10 FFCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1O ZINC001140060508 1035327042 /nfs/dbraw/zinc/32/70/42/1035327042.db2.gz ZKJKOZKBUCSSBS-LJQANCHMSA-N 1 2 372.440 2.781 20 10 FFCDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(Cl)cc3O)[C@@H]2C1 ZINC001140465620 1035485410 /nfs/dbraw/zinc/48/54/10/1035485410.db2.gz RAKCUFPQEPZBRK-YSVLISHTSA-N 1 2 352.862 2.550 20 10 FFCDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccc(Cl)cc3O)[C@@H]2C1 ZINC001140465620 1035485412 /nfs/dbraw/zinc/48/54/12/1035485412.db2.gz RAKCUFPQEPZBRK-YSVLISHTSA-N 1 2 352.862 2.550 20 10 FFCDLO CN(C)c1ccc(/C=C/C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000835028809 1035490220 /nfs/dbraw/zinc/49/02/20/1035490220.db2.gz SLBVWVPVMABTGG-SNAWJCMRSA-N 1 2 365.477 2.929 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001140580718 1035661834 /nfs/dbraw/zinc/66/18/34/1035661834.db2.gz JERVWOKRCZMYHI-UHFFFAOYSA-N 1 2 360.408 2.661 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001140580718 1035661845 /nfs/dbraw/zinc/66/18/45/1035661845.db2.gz JERVWOKRCZMYHI-UHFFFAOYSA-N 1 2 360.408 2.661 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584259 1035668695 /nfs/dbraw/zinc/66/86/95/1035668695.db2.gz KUDGHXZYNMDGMD-CYBMUJFWSA-N 1 2 356.413 2.566 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584259 1035668701 /nfs/dbraw/zinc/66/87/01/1035668701.db2.gz KUDGHXZYNMDGMD-CYBMUJFWSA-N 1 2 356.413 2.566 20 10 FFCDLO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231501 1035671328 /nfs/dbraw/zinc/67/13/28/1035671328.db2.gz CNTHGWJNTWCVCG-GOSISDBHSA-N 1 2 352.862 2.649 20 10 FFCDLO COCCCN1CC[C@]2(CCC[N@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231501 1035671332 /nfs/dbraw/zinc/67/13/32/1035671332.db2.gz CNTHGWJNTWCVCG-GOSISDBHSA-N 1 2 352.862 2.649 20 10 FFCDLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2c(O)cc(Br)cc2F)C1 ZINC001233029350 1036268095 /nfs/dbraw/zinc/26/80/95/1036268095.db2.gz CCWIWKBCIQDJGZ-LBPRGKRZSA-N 1 2 359.239 2.737 20 10 FFCDLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2c(O)cc(Br)cc2F)C1 ZINC001233029350 1036268120 /nfs/dbraw/zinc/26/81/20/1036268120.db2.gz CCWIWKBCIQDJGZ-LBPRGKRZSA-N 1 2 359.239 2.737 20 10 FFCDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1c(O)ccc(F)c1F ZINC001233336472 1036545014 /nfs/dbraw/zinc/54/50/14/1036545014.db2.gz MYGOPUHOBYZBSH-ZFWWWQNUSA-N 1 2 372.412 2.737 20 10 FFCDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@@H+](C)Cc1c(O)ccc(F)c1F ZINC001233336472 1036545025 /nfs/dbraw/zinc/54/50/25/1036545025.db2.gz MYGOPUHOBYZBSH-ZFWWWQNUSA-N 1 2 372.412 2.737 20 10 FFCDLO CC[N@@H+]1CC[C@@H](Oc2c(OC)ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229243017 1036571151 /nfs/dbraw/zinc/57/11/51/1036571151.db2.gz OMOVGSYBCBOORR-CYBMUJFWSA-N 1 2 351.402 2.944 20 10 FFCDLO CC[N@H+]1CC[C@@H](Oc2c(OC)ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229243017 1036571155 /nfs/dbraw/zinc/57/11/55/1036571155.db2.gz OMOVGSYBCBOORR-CYBMUJFWSA-N 1 2 351.402 2.944 20 10 FFCDLO CC(C)CN1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387589 1036675497 /nfs/dbraw/zinc/67/54/97/1036675497.db2.gz LENRCEWCRJFJRF-GOSISDBHSA-N 1 2 370.852 2.644 20 10 FFCDLO CC(C)CN1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387589 1036675505 /nfs/dbraw/zinc/67/55/05/1036675505.db2.gz LENRCEWCRJFJRF-GOSISDBHSA-N 1 2 370.852 2.644 20 10 FFCDLO O=C1C[C@@]2(CN1C1COC1)CCCC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388688 1036684092 /nfs/dbraw/zinc/68/40/92/1036684092.db2.gz ZQMLGFSATGSYRV-GOSISDBHSA-N 1 2 368.836 2.541 20 10 FFCDLO O=C1C[C@@]2(CN1C1COC1)CCCC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388688 1036684099 /nfs/dbraw/zinc/68/40/99/1036684099.db2.gz ZQMLGFSATGSYRV-GOSISDBHSA-N 1 2 368.836 2.541 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c(OC)c1 ZINC001141026263 1036755346 /nfs/dbraw/zinc/75/53/46/1036755346.db2.gz JPBDKVVKMCAYNF-BETUJISGSA-N 1 2 364.442 2.603 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c(OC)c1 ZINC001141026263 1036755362 /nfs/dbraw/zinc/75/53/62/1036755362.db2.gz JPBDKVVKMCAYNF-BETUJISGSA-N 1 2 364.442 2.603 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c(OC)c1 ZINC001141029591 1036769699 /nfs/dbraw/zinc/76/96/99/1036769699.db2.gz WWQDQTKHOIQJAV-QGZVFWFLSA-N 1 2 359.422 2.689 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c(OC)c1 ZINC001141029591 1036769721 /nfs/dbraw/zinc/76/97/21/1036769721.db2.gz WWQDQTKHOIQJAV-QGZVFWFLSA-N 1 2 359.422 2.689 20 10 FFCDLO CC[C@H](C)N1CC2(C[NH+](Cc3cc4ccccc4cc3O)C2)OCC1=O ZINC001277848857 1036993730 /nfs/dbraw/zinc/99/37/30/1036993730.db2.gz KWPDKVQSFMPDOB-HNNXBMFYSA-N 1 2 354.450 2.757 20 10 FFCDLO CC[N@@H+]1CC[C@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234748928 1037163898 /nfs/dbraw/zinc/16/38/98/1037163898.db2.gz NQRVVZAGNNGOAY-NSHDSACASA-N 1 2 357.362 2.536 20 10 FFCDLO CC[N@H+]1CC[C@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234748928 1037163900 /nfs/dbraw/zinc/16/39/00/1037163900.db2.gz NQRVVZAGNNGOAY-NSHDSACASA-N 1 2 357.362 2.536 20 10 FFCDLO O=C1CCCC2(CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)N1 ZINC001235060554 1037332997 /nfs/dbraw/zinc/33/29/97/1037332997.db2.gz LJJKOGZTURSEKY-UHFFFAOYSA-N 1 2 371.250 2.929 20 10 FFCDLO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)O1 ZINC001235067747 1037339982 /nfs/dbraw/zinc/33/99/82/1037339982.db2.gz ZGHQLFZKIOHCFM-OAHLLOKOSA-N 1 2 358.207 2.965 20 10 FFCDLO O=C1CC[C@@]2(CCC[N@H+](Cc3cc(Br)cc(F)c3O)C2)O1 ZINC001235067747 1037340001 /nfs/dbraw/zinc/34/00/01/1037340001.db2.gz ZGHQLFZKIOHCFM-OAHLLOKOSA-N 1 2 358.207 2.965 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235857316 1037798117 /nfs/dbraw/zinc/79/81/17/1037798117.db2.gz YKRPWFXHIKFCOS-QGZVFWFLSA-N 1 2 364.445 2.824 20 10 FFCDLO CCOc1ncccc1C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001231767068 1037895646 /nfs/dbraw/zinc/89/56/46/1037895646.db2.gz OTOOZGMPQARMOE-UHFFFAOYSA-N 1 2 357.454 2.820 20 10 FFCDLO COCCN1C(=O)CCC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231911798 1038006142 /nfs/dbraw/zinc/00/61/42/1038006142.db2.gz NLJFZMFCAOIAHU-UHFFFAOYSA-N 1 2 352.862 2.649 20 10 FFCDLO COc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c([O-])c1Cl ZINC001236803696 1038279651 /nfs/dbraw/zinc/27/96/51/1038279651.db2.gz JSUQTFKHTOLNCO-UHFFFAOYSA-N 1 2 353.850 2.684 20 10 FFCDLO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2c(O)ccc(F)c2Cl)C1=O ZINC001278025737 1038344035 /nfs/dbraw/zinc/34/40/35/1038344035.db2.gz ZDLDAZREPXWSSF-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO COCCCN1CC[C@@]2(CCC[N@H+]2Cc2c(O)ccc(F)c2Cl)C1=O ZINC001278025737 1038344048 /nfs/dbraw/zinc/34/40/48/1038344048.db2.gz ZDLDAZREPXWSSF-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO Cc1cnc(N2CC[NH+](Cc3c(O)cccc3OC(F)(F)F)CC2)nc1 ZINC001237126135 1038451860 /nfs/dbraw/zinc/45/18/60/1038451860.db2.gz VFIHAFHLPUSRCZ-UHFFFAOYSA-N 1 2 368.359 2.711 20 10 FFCDLO O=c1cccc(CN2CCC3(C[NH+](Cc4c(O)cccc4Cl)C3)C2)[nH]1 ZINC001278490132 1039840800 /nfs/dbraw/zinc/84/08/00/1039840800.db2.gz AIBZKTXLOXETIU-UHFFFAOYSA-N 1 2 359.857 2.854 20 10 FFCDLO COc1ccc(C[NH+]2CC3CC(C3)C2)c(O)c1I ZINC001248498944 1040301767 /nfs/dbraw/zinc/30/17/67/1040301767.db2.gz WCGFTJJIKNZMEF-UHFFFAOYSA-N 1 2 359.207 2.847 20 10 FFCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)CCN1C ZINC001248884993 1040494197 /nfs/dbraw/zinc/49/41/97/1040494197.db2.gz HVVUMUHDBGBHGN-HNNXBMFYSA-N 1 2 354.878 2.632 20 10 FFCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)CCN1C ZINC001248884993 1040494207 /nfs/dbraw/zinc/49/42/07/1040494207.db2.gz HVVUMUHDBGBHGN-HNNXBMFYSA-N 1 2 354.878 2.632 20 10 FFCDLO CN(C)c1ccc(CN2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)cc1 ZINC001279149923 1042920362 /nfs/dbraw/zinc/92/03/62/1042920362.db2.gz OFNGSYBMPKZQGH-HDICACEKSA-N 1 2 371.447 2.980 20 10 FFCDLO CN(C)c1ccc(CN2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)cc1 ZINC001279149923 1042920365 /nfs/dbraw/zinc/92/03/65/1042920365.db2.gz OFNGSYBMPKZQGH-HDICACEKSA-N 1 2 371.447 2.980 20 10 FFCDLO O=c1cccc(C[N@H+]2CCC3(CN(Cc4cccc(Cl)c4O)C3)C2)[nH]1 ZINC001279441865 1043116851 /nfs/dbraw/zinc/11/68/51/1043116851.db2.gz HPOFILGSEKBGQW-UHFFFAOYSA-N 1 2 359.857 2.854 20 10 FFCDLO O=c1cccc(C[N@@H+]2CCC3(CN(Cc4cccc(Cl)c4O)C3)C2)[nH]1 ZINC001279441865 1043116862 /nfs/dbraw/zinc/11/68/62/1043116862.db2.gz HPOFILGSEKBGQW-UHFFFAOYSA-N 1 2 359.857 2.854 20 10 FFCDLO Oc1c(F)cccc1C[NH+]1CC2(CCN2Cc2nc3ccccc3[nH]2)C1 ZINC001279525640 1043223475 /nfs/dbraw/zinc/22/34/75/1043223475.db2.gz ULSDGNRRAHVFIV-UHFFFAOYSA-N 1 2 352.413 2.868 20 10 FFCDLO OC[C@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237782596 1043355114 /nfs/dbraw/zinc/35/51/14/1043355114.db2.gz ZXVHLVIVXWFCHX-QMMMGPOBSA-N 1 2 354.166 2.988 20 10 FFCDLO OC[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237782596 1043355122 /nfs/dbraw/zinc/35/51/22/1043355122.db2.gz ZXVHLVIVXWFCHX-QMMMGPOBSA-N 1 2 354.166 2.988 20 10 FFCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001237799345 1043365916 /nfs/dbraw/zinc/36/59/16/1043365916.db2.gz HEFFKBIPBJMIQW-TZMCWYRMSA-N 1 2 362.836 2.933 20 10 FFCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001237799345 1043365918 /nfs/dbraw/zinc/36/59/18/1043365918.db2.gz HEFFKBIPBJMIQW-TZMCWYRMSA-N 1 2 362.836 2.933 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1)C1CCOCC1 ZINC001237941321 1043445783 /nfs/dbraw/zinc/44/57/83/1043445783.db2.gz VCGUIYRFWWVHAW-CQSZACIVSA-N 1 2 370.852 2.692 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1)C1CCOCC1 ZINC001237941321 1043445787 /nfs/dbraw/zinc/44/57/87/1043445787.db2.gz VCGUIYRFWWVHAW-CQSZACIVSA-N 1 2 370.852 2.692 20 10 FFCDLO CN(C)C(=O)c1cc2c([nH]1)C[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001279859103 1043783307 /nfs/dbraw/zinc/78/33/07/1043783307.db2.gz HMDDDMFTZKGEPY-UHFFFAOYSA-N 1 2 352.482 2.875 20 10 FFCDLO CN(C)C(=O)c1cc2c([nH]1)C[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001279859103 1043783320 /nfs/dbraw/zinc/78/33/20/1043783320.db2.gz HMDDDMFTZKGEPY-UHFFFAOYSA-N 1 2 352.482 2.875 20 10 FFCDLO COc1nc(Cl)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1C ZINC001319921735 1045303771 /nfs/dbraw/zinc/30/37/71/1045303771.db2.gz LGDJTBIQATUYAD-CQSZACIVSA-N 1 2 365.861 2.969 20 10 FFCDLO COc1nc(Cl)c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1C ZINC001319921735 1045303775 /nfs/dbraw/zinc/30/37/75/1045303775.db2.gz LGDJTBIQATUYAD-CQSZACIVSA-N 1 2 365.861 2.969 20 10 FFCDLO Cn1nc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c2ccccc21 ZINC001320300630 1045386414 /nfs/dbraw/zinc/38/64/14/1045386414.db2.gz AZWUPLNCVXSYLG-UHFFFAOYSA-N 1 2 367.472 2.754 20 10 FFCDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1ccc(Br)cc1O ZINC001327889827 1048084723 /nfs/dbraw/zinc/08/47/23/1048084723.db2.gz AIUZJJKNSIQWCA-UHFFFAOYSA-N 1 2 369.215 2.954 20 10 FFCDLO CN(Cc1ccccc1O)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCO1 ZINC001343156189 1051778809 /nfs/dbraw/zinc/77/88/09/1051778809.db2.gz PTWLKWMTXYWXDR-IRXDYDNUSA-N 1 2 371.485 2.566 20 10 FFCDLO CN(Cc1ccccc1O)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@@H]1CCCO1 ZINC001343156189 1051778827 /nfs/dbraw/zinc/77/88/27/1051778827.db2.gz PTWLKWMTXYWXDR-IRXDYDNUSA-N 1 2 371.485 2.566 20 10 FFCDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001308241228 1052435626 /nfs/dbraw/zinc/43/56/26/1052435626.db2.gz CIFXSGYJKXKRNF-SNVBAGLBSA-N 1 2 372.849 2.944 20 10 FFCDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc(Br)cc(F)c3O)C[C@@H]21 ZINC001462576541 1061679328 /nfs/dbraw/zinc/67/93/28/1061679328.db2.gz KEVFPQBZXUOFQX-MBNYWOFBSA-N 1 2 372.234 2.925 20 10 FFCDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3O)C[C@@H]21 ZINC001462576541 1061679340 /nfs/dbraw/zinc/67/93/40/1061679340.db2.gz KEVFPQBZXUOFQX-MBNYWOFBSA-N 1 2 372.234 2.925 20 10 FFCDLO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)CCC1 ZINC001462610942 1061691430 /nfs/dbraw/zinc/69/14/30/1061691430.db2.gz IJJXNLXOAITSSC-GOSISDBHSA-N 1 2 371.836 2.855 20 10 FFCDLO COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)CCC1 ZINC001462610942 1061691437 /nfs/dbraw/zinc/69/14/37/1061691437.db2.gz IJJXNLXOAITSSC-GOSISDBHSA-N 1 2 371.836 2.855 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)NCc3ccc[nH+]c3N)cc2)CC1 ZINC001477823549 1061811800 /nfs/dbraw/zinc/81/18/00/1061811800.db2.gz YOOQTRSCFGLCCO-UHFFFAOYSA-N 1 2 353.470 2.900 20 10 FFCDLO O=C1C[C@]2([NH2+]Cc3cc(Br)cc(F)c3O)CCCC[C@@H]2N1 ZINC001474295437 1065486854 /nfs/dbraw/zinc/48/68/54/1065486854.db2.gz VDOFWGTWVJLRND-SWLSCSKDSA-N 1 2 357.223 2.585 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001474731423 1065593041 /nfs/dbraw/zinc/59/30/41/1065593041.db2.gz IRYHDAYEXFJIRY-SFHVURJKSA-N 1 2 372.412 2.522 20 10 FFCDLO c1nn(CC[NH+]2CCOCC2)cc1NCc1ccc(N2CCCCC2)cc1 ZINC001560398720 1076270835 /nfs/dbraw/zinc/27/08/35/1076270835.db2.gz HPWVHDWQGPACTA-UHFFFAOYSA-N 1 2 369.513 2.818 20 10 FFCDLO C[C@H]1CN(c2ccc(CNc3[nH+]cnc4c3cnn4C)cc2F)C[C@H](C)O1 ZINC000052457211 507809769 /nfs/dbraw/zinc/80/97/69/507809769.db2.gz YFEDVHVXFXZAGQ-STQMWFEESA-N 1 2 370.432 2.728 20 10 FFCDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)c1O ZINC000093006631 508113981 /nfs/dbraw/zinc/11/39/81/508113981.db2.gz UOXQZHZZYZQGBR-UHFFFAOYSA-N 1 2 362.376 2.637 20 10 FFCDLO O=C(NCc1ccc(O)c(O)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000158883043 508763716 /nfs/dbraw/zinc/76/37/16/508763716.db2.gz WNXWMIVZUZXVHD-GOSISDBHSA-N 1 2 358.463 2.504 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1O ZINC000187800931 510444261 /nfs/dbraw/zinc/44/42/61/510444261.db2.gz PJZUSPOQENYBDL-KCJUWKMLSA-N 1 2 352.303 2.874 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3cc(C)no3)CC2)c1O ZINC000184676197 510454744 /nfs/dbraw/zinc/45/47/44/510454744.db2.gz BWMHYDXYVKQWOW-UHFFFAOYSA-N 1 2 351.834 2.668 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000191196231 510544887 /nfs/dbraw/zinc/54/48/87/510544887.db2.gz LXKMGKCXFXKVNJ-LLVKDONJSA-N 1 2 370.421 2.772 20 10 FFCDLO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c(O)c1O ZINC000181829719 510616437 /nfs/dbraw/zinc/61/64/37/510616437.db2.gz OVFPCFBITVPRLI-HNNXBMFYSA-N 1 2 355.369 2.798 20 10 FFCDLO COc1cc[nH+]cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000275891337 510920195 /nfs/dbraw/zinc/92/01/95/510920195.db2.gz RRAVBAQHECQOCP-UHFFFAOYSA-N 1 2 368.437 2.834 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285507807 510935900 /nfs/dbraw/zinc/93/59/00/510935900.db2.gz YBABGYXHZLNONL-LJQANCHMSA-N 1 2 355.486 2.661 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285507807 510935905 /nfs/dbraw/zinc/93/59/05/510935905.db2.gz YBABGYXHZLNONL-LJQANCHMSA-N 1 2 355.486 2.661 20 10 FFCDLO O=C1/C(=C\c2ccc3occc3c2)SC(=S)N1CC[NH+]1CCOCC1 ZINC000285605561 510974590 /nfs/dbraw/zinc/97/45/90/510974590.db2.gz USEDXBBPSDKCLQ-FOWTUZBSSA-N 1 2 374.487 2.966 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278323760 510989765 /nfs/dbraw/zinc/98/97/65/510989765.db2.gz YOOJGGAPUQIUCE-ZDUSSCGKSA-N 1 2 350.396 2.944 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278323760 510989771 /nfs/dbraw/zinc/98/97/71/510989771.db2.gz YOOJGGAPUQIUCE-ZDUSSCGKSA-N 1 2 350.396 2.944 20 10 FFCDLO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000285850172 511015526 /nfs/dbraw/zinc/01/55/26/511015526.db2.gz ZCPFPAWGUKRPPT-CABZTGNLSA-N 1 2 354.319 2.584 20 10 FFCDLO COc1ccc(N2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)cc1 ZINC000290610399 511146315 /nfs/dbraw/zinc/14/63/15/511146315.db2.gz HXKCEOHRAYXAIC-UHFFFAOYSA-N 1 2 351.410 2.697 20 10 FFCDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)n[nH]1 ZINC000271402156 511191959 /nfs/dbraw/zinc/19/19/59/511191959.db2.gz VYSCXBVWGQLJNT-NSHDSACASA-N 1 2 351.248 2.961 20 10 FFCDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)n[nH]1 ZINC000271402156 511191966 /nfs/dbraw/zinc/19/19/66/511191966.db2.gz VYSCXBVWGQLJNT-NSHDSACASA-N 1 2 351.248 2.961 20 10 FFCDLO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCC(=O)N1C1CC1 ZINC000284846634 511896062 /nfs/dbraw/zinc/89/60/62/511896062.db2.gz OBMPUZRLZQWDLR-CRAIPNDOSA-N 1 2 374.872 2.763 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000366373932 511985233 /nfs/dbraw/zinc/98/52/33/511985233.db2.gz GOFGIONWWQUNJI-HNNXBMFYSA-N 1 2 357.447 2.523 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000366373932 511985238 /nfs/dbraw/zinc/98/52/38/511985238.db2.gz GOFGIONWWQUNJI-HNNXBMFYSA-N 1 2 357.447 2.523 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366559550 512085731 /nfs/dbraw/zinc/08/57/31/512085731.db2.gz UIWVCSNBNSVTKO-INIZCTEOSA-N 1 2 359.495 2.702 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000375717897 512470163 /nfs/dbraw/zinc/47/01/63/512470163.db2.gz IOCJYTDEMMTQKA-ZDUSSCGKSA-N 1 2 373.413 2.684 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000375717897 512470167 /nfs/dbraw/zinc/47/01/67/512470167.db2.gz IOCJYTDEMMTQKA-ZDUSSCGKSA-N 1 2 373.413 2.684 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1O ZINC000370032498 512735773 /nfs/dbraw/zinc/73/57/73/512735773.db2.gz LKNYAGDHBFALDR-MEDUHNTESA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1O ZINC000370032498 512735775 /nfs/dbraw/zinc/73/57/75/512735775.db2.gz LKNYAGDHBFALDR-MEDUHNTESA-N 1 2 372.259 2.543 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000509409706 515164569 /nfs/dbraw/zinc/16/45/69/515164569.db2.gz CVFZWFYGASTYOA-HXUWFJFHSA-N 1 2 355.482 2.746 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000509409706 515164579 /nfs/dbraw/zinc/16/45/79/515164579.db2.gz CVFZWFYGASTYOA-HXUWFJFHSA-N 1 2 355.482 2.746 20 10 FFCDLO CC1(N2CCOCC2)CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000529665231 517271492 /nfs/dbraw/zinc/27/14/92/517271492.db2.gz VXHNTKSGTRFFNB-UHFFFAOYSA-N 1 2 369.303 2.841 20 10 FFCDLO COc1cccc(C[N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1O ZINC000093535275 728476345 /nfs/dbraw/zinc/47/63/45/728476345.db2.gz ACVRMOPFEKXKKR-UHFFFAOYSA-N 1 2 360.841 2.899 20 10 FFCDLO COc1cccc(C[N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1O ZINC000093535275 728476346 /nfs/dbraw/zinc/47/63/46/728476346.db2.gz ACVRMOPFEKXKKR-UHFFFAOYSA-N 1 2 360.841 2.899 20 10 FFCDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(Br)c3O)[C@H]2C1 ZINC000246799888 729590711 /nfs/dbraw/zinc/59/07/11/729590711.db2.gz QSKRKSZIUWGZIG-SNPRPXQTSA-N 1 2 356.260 2.923 20 10 FFCDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc(Br)c3O)[C@H]2C1 ZINC000246799888 729590715 /nfs/dbraw/zinc/59/07/15/729590715.db2.gz QSKRKSZIUWGZIG-SNPRPXQTSA-N 1 2 356.260 2.923 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)CCS(=O)(=O)C2CCCCC2)cc1 ZINC000856754316 730355117 /nfs/dbraw/zinc/35/51/17/730355117.db2.gz GHNVPCSTZRHOAN-UHFFFAOYSA-N 1 2 368.543 2.811 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)CCS(=O)(=O)C2CCCCC2)cc1 ZINC000856754316 730355119 /nfs/dbraw/zinc/35/51/19/730355119.db2.gz GHNVPCSTZRHOAN-UHFFFAOYSA-N 1 2 368.543 2.811 20 10 FFCDLO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000858587400 730429319 /nfs/dbraw/zinc/42/93/19/730429319.db2.gz MXTUIJPPHIIIJT-JGVFFNPUSA-N 1 2 365.655 2.867 20 10 FFCDLO Oc1cccc(Br)c1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000862302578 730686942 /nfs/dbraw/zinc/68/69/42/730686942.db2.gz WJAKDNBDSCJHDH-UHFFFAOYSA-N 1 2 362.271 2.868 20 10 FFCDLO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000877798921 732434479 /nfs/dbraw/zinc/43/44/79/732434479.db2.gz GDZXAOMESKDNMR-BZUAXINKSA-N 1 2 366.889 2.677 20 10 FFCDLO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000877798921 732434483 /nfs/dbraw/zinc/43/44/83/732434483.db2.gz GDZXAOMESKDNMR-BZUAXINKSA-N 1 2 366.889 2.677 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000879342105 732687057 /nfs/dbraw/zinc/68/70/57/732687057.db2.gz YBZZWZZJERSVGW-GXFFZTMASA-N 1 2 351.752 2.851 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000879342105 732687059 /nfs/dbraw/zinc/68/70/59/732687059.db2.gz YBZZWZZJERSVGW-GXFFZTMASA-N 1 2 351.752 2.851 20 10 FFCDLO CN(C)c1nccc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)n1 ZINC000883083315 733329689 /nfs/dbraw/zinc/32/96/89/733329689.db2.gz HVOYILMVBDCKDD-UHFFFAOYSA-N 1 2 371.666 2.954 20 10 FFCDLO O=C1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C[C@H]2CCCCN12 ZINC000883140611 733340925 /nfs/dbraw/zinc/34/09/25/733340925.db2.gz ZEERPPHYEUCLSO-YPMHNXCESA-N 1 2 357.223 2.537 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000895228164 734976372 /nfs/dbraw/zinc/97/63/72/734976372.db2.gz JFBRSUALRVTPBK-SNVBAGLBSA-N 1 2 371.666 2.922 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000895228164 734976374 /nfs/dbraw/zinc/97/63/74/734976374.db2.gz JFBRSUALRVTPBK-SNVBAGLBSA-N 1 2 371.666 2.922 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCCOCC1)c1cc(Br)cc(F)c1O ZINC000903228458 736060471 /nfs/dbraw/zinc/06/04/71/736060471.db2.gz QZDZKZWBSNFASR-LLVKDONJSA-N 1 2 361.255 2.667 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)cc(Cl)c1O ZINC000756434437 736330571 /nfs/dbraw/zinc/33/05/71/736330571.db2.gz NNSHRCCTMWFCKS-PSASIEDQSA-N 1 2 350.640 2.874 20 10 FFCDLO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756595071 736345831 /nfs/dbraw/zinc/34/58/31/736345831.db2.gz SSNZBKQITJYIGZ-WCBMZHEXSA-N 1 2 352.656 2.856 20 10 FFCDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000770741478 737659322 /nfs/dbraw/zinc/65/93/22/737659322.db2.gz VXOAUXOLLQDWOZ-CYBMUJFWSA-N 1 2 365.528 2.948 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774876987 738034918 /nfs/dbraw/zinc/03/49/18/738034918.db2.gz HHNKIKGLVSJDBE-ZDUSSCGKSA-N 1 2 352.387 2.615 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774876987 738034921 /nfs/dbraw/zinc/03/49/21/738034921.db2.gz HHNKIKGLVSJDBE-ZDUSSCGKSA-N 1 2 352.387 2.615 20 10 FFCDLO O=C(NCC(F)(F)F)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775654452 738109602 /nfs/dbraw/zinc/10/96/02/738109602.db2.gz KXMNFBWTIKEGNZ-UHFFFAOYSA-N 1 2 350.768 2.936 20 10 FFCDLO COc1ccc(O)c(C[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1 ZINC000775737822 738119629 /nfs/dbraw/zinc/11/96/29/738119629.db2.gz MSPLZLOHBMRPJP-UHFFFAOYSA-N 1 2 360.841 2.899 20 10 FFCDLO COc1ccc(O)c(C[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1 ZINC000775737822 738119632 /nfs/dbraw/zinc/11/96/32/738119632.db2.gz MSPLZLOHBMRPJP-UHFFFAOYSA-N 1 2 360.841 2.899 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000776010901 738151620 /nfs/dbraw/zinc/15/16/20/738151620.db2.gz WYYNYECMWNOJLS-UHFFFAOYSA-N 1 2 351.809 2.706 20 10 FFCDLO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000786887079 739085934 /nfs/dbraw/zinc/08/59/34/739085934.db2.gz DMLIQAZKTFMNPH-UHFFFAOYSA-N 1 2 360.439 2.865 20 10 FFCDLO COc1ccccc1CCNC(=O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000798087234 740303048 /nfs/dbraw/zinc/30/30/48/740303048.db2.gz POZPEGAZGZSPBG-UHFFFAOYSA-N 1 2 366.820 2.642 20 10 FFCDLO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816607693 742046840 /nfs/dbraw/zinc/04/68/40/742046840.db2.gz BYORKFQEKLYSCC-ZDUSSCGKSA-N 1 2 355.841 2.955 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1F ZINC000816619547 742048174 /nfs/dbraw/zinc/04/81/74/742048174.db2.gz LOPLZUCJQMOUNM-MRXNPFEDSA-N 1 2 356.507 2.929 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1F ZINC000816619547 742048178 /nfs/dbraw/zinc/04/81/78/742048178.db2.gz LOPLZUCJQMOUNM-MRXNPFEDSA-N 1 2 356.507 2.929 20 10 FFCDLO Cc1c(Cl)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)nn1C ZINC000817407531 742138913 /nfs/dbraw/zinc/13/89/13/742138913.db2.gz SESKTTKJDTUZMB-UHFFFAOYSA-N 1 2 366.868 2.772 20 10 FFCDLO Oc1cc(Br)ccc1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000824611133 743116161 /nfs/dbraw/zinc/11/61/61/743116161.db2.gz WBTDRXODYJEAMB-UHFFFAOYSA-N 1 2 368.300 2.929 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000835080585 745946924 /nfs/dbraw/zinc/94/69/24/745946924.db2.gz WDVMSLGBFPHHTF-GHMZBOCLSA-N 1 2 365.065 2.920 20 10 FFCDLO CNC(=O)C1C[NH+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839144709 746787353 /nfs/dbraw/zinc/78/73/53/746787353.db2.gz UUSYDDJFIOEQAF-UHFFFAOYSA-N 1 2 366.303 2.617 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000843418028 747833353 /nfs/dbraw/zinc/83/33/53/747833353.db2.gz NRAOWKHIOICZPE-OAHLLOKOSA-N 1 2 374.300 2.871 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000843418028 747833359 /nfs/dbraw/zinc/83/33/59/747833359.db2.gz NRAOWKHIOICZPE-OAHLLOKOSA-N 1 2 374.300 2.871 20 10 FFCDLO OC[C@H](CCF)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000846099795 748406797 /nfs/dbraw/zinc/40/67/97/748406797.db2.gz IYACEYIDFBSLBX-VIFPVBQESA-N 1 2 371.044 2.727 20 10 FFCDLO C[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccc(Br)cc1O ZINC000848561046 748960997 /nfs/dbraw/zinc/96/09/97/748960997.db2.gz ONQXGEHAKOCXHM-SECBINFHSA-N 1 2 354.252 2.747 20 10 FFCDLO O=[S@@](CC[NH2+]Cc1cccc(Br)c1O)CC(F)(F)F ZINC000850348022 749346986 /nfs/dbraw/zinc/34/69/86/749346986.db2.gz CTGONDKYVIFTPL-IBGZPJMESA-N 1 2 360.195 2.555 20 10 FFCDLO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)CC1=O ZINC000850395626 749358519 /nfs/dbraw/zinc/35/85/19/749358519.db2.gz BKRATTCNPVHWKX-LLVKDONJSA-N 1 2 355.276 2.891 20 10 FFCDLO COC[C@H](CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O)OC ZINC000850485975 749372132 /nfs/dbraw/zinc/37/21/32/749372132.db2.gz PGNHXFKXWHXIBG-KOLCDFICSA-N 1 2 350.228 2.996 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000840478853 971360395 /nfs/dbraw/zinc/36/03/95/971360395.db2.gz CAWCWNIOXCAHKB-FUHWJXTLSA-N 1 2 369.513 2.925 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275892369 1013152686 /nfs/dbraw/zinc/15/26/86/1013152686.db2.gz BQIILYXOVWAEKC-KPZWWZAWSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275892369 1013152693 /nfs/dbraw/zinc/15/26/93/1013152693.db2.gz BQIILYXOVWAEKC-KPZWWZAWSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(C)(C)C(=O)CN1CC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2O)C1=O ZINC001276087252 1013436841 /nfs/dbraw/zinc/43/68/41/1013436841.db2.gz ZJDAOEZYYAWCMR-HXUWFJFHSA-N 1 2 362.445 2.713 20 10 FFCDLO CC(C)(C)C(=O)CN1CC[C@]2(CCC[N@H+]2Cc2cccc(F)c2O)C1=O ZINC001276087252 1013436845 /nfs/dbraw/zinc/43/68/45/1013436845.db2.gz ZJDAOEZYYAWCMR-HXUWFJFHSA-N 1 2 362.445 2.713 20 10 FFCDLO COc1ccc(N2CC[NH+](C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)c(OC)c1 ZINC001175525152 1013498853 /nfs/dbraw/zinc/49/88/53/1013498853.db2.gz ZFSKCRCYIPRJMY-WMLDXEAASA-N 1 2 374.403 2.936 20 10 FFCDLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC000051334605 965019438 /nfs/dbraw/zinc/01/94/38/965019438.db2.gz CLJIRXFFXCVRIF-UHFFFAOYSA-N 1 2 360.433 2.912 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000052636423 967776469 /nfs/dbraw/zinc/77/64/69/967776469.db2.gz ZUEGCXLZAZJIML-INIZCTEOSA-N 1 2 371.456 2.661 20 10 FFCDLO C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000876511889 1014288150 /nfs/dbraw/zinc/28/81/50/1014288150.db2.gz VZUHXJSIUWXLDF-LJQANCHMSA-N 1 2 369.513 2.937 20 10 FFCDLO C[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000876511889 1014288159 /nfs/dbraw/zinc/28/81/59/1014288159.db2.gz VZUHXJSIUWXLDF-LJQANCHMSA-N 1 2 369.513 2.937 20 10 FFCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000876716395 1014360658 /nfs/dbraw/zinc/36/06/58/1014360658.db2.gz XHSZDZQHVKJYHW-UHFFFAOYSA-N 1 2 366.461 2.950 20 10 FFCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000876716395 1014360670 /nfs/dbraw/zinc/36/06/70/1014360670.db2.gz XHSZDZQHVKJYHW-UHFFFAOYSA-N 1 2 366.461 2.950 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000796581193 1014406937 /nfs/dbraw/zinc/40/69/37/1014406937.db2.gz VMVYPTYSJYKHIB-FXAWDEMLSA-N 1 2 356.466 2.749 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000796581193 1014406941 /nfs/dbraw/zinc/40/69/41/1014406941.db2.gz VMVYPTYSJYKHIB-FXAWDEMLSA-N 1 2 356.466 2.749 20 10 FFCDLO COc1ccc(O)c([C@H](C)NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000728945438 977932847 /nfs/dbraw/zinc/93/28/47/977932847.db2.gz SMDUQWAZPGXVOV-ZDUSSCGKSA-N 1 2 358.442 2.537 20 10 FFCDLO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3O)C2=O)cc1 ZINC000877041078 1014461003 /nfs/dbraw/zinc/46/10/03/1014461003.db2.gz UPZXQFIXSINERS-MRXNPFEDSA-N 1 2 362.376 2.570 20 10 FFCDLO CCN(CC)C(=O)N1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000915204242 988296765 /nfs/dbraw/zinc/29/67/65/988296765.db2.gz PWGDMLSGMAHKGU-UHFFFAOYSA-N 1 2 363.502 2.975 20 10 FFCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](C)c3ccco3)CC2)cc1 ZINC000069066689 991577392 /nfs/dbraw/zinc/57/73/92/991577392.db2.gz MFWAFLHVPCRDFG-INIZCTEOSA-N 1 2 357.454 2.630 20 10 FFCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)c3ccco3)CC2)cc1 ZINC000069066689 991577403 /nfs/dbraw/zinc/57/74/03/991577403.db2.gz MFWAFLHVPCRDFG-INIZCTEOSA-N 1 2 357.454 2.630 20 10 FFCDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)c1 ZINC000182381338 992026774 /nfs/dbraw/zinc/02/67/74/992026774.db2.gz YDMWRNNESDTGMH-HNNXBMFYSA-N 1 2 370.449 2.934 20 10 FFCDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CCO2 ZINC000824908638 997133901 /nfs/dbraw/zinc/13/39/01/997133901.db2.gz AVDDTNAZCIDZLU-UHFFFAOYSA-N 1 2 360.366 2.712 20 10 FFCDLO COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CCO2 ZINC000824908638 997133911 /nfs/dbraw/zinc/13/39/11/997133911.db2.gz AVDDTNAZCIDZLU-UHFFFAOYSA-N 1 2 360.366 2.712 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846261208 1000247365 /nfs/dbraw/zinc/24/73/65/1000247365.db2.gz OLPPPOPLIOIPLF-MRXNPFEDSA-N 1 2 354.498 2.884 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](F)c3ccccc3)CC2)cc1 ZINC000768982472 1000398585 /nfs/dbraw/zinc/39/85/85/1000398585.db2.gz CTFNFMQZXWVWRS-FQEVSTJZSA-N 1 2 371.456 2.644 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1 ZINC000788770394 1001861066 /nfs/dbraw/zinc/86/10/66/1001861066.db2.gz UEHJTSBOKKOVKE-LJQANCHMSA-N 1 2 365.477 2.760 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1 ZINC000788770394 1001861081 /nfs/dbraw/zinc/86/10/81/1001861081.db2.gz UEHJTSBOKKOVKE-LJQANCHMSA-N 1 2 365.477 2.760 20 10 FFCDLO COCc1n[nH]c(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000827005396 1016603774 /nfs/dbraw/zinc/60/37/74/1016603774.db2.gz FOSYGLGJMAXHCM-UHFFFAOYSA-N 1 2 354.410 2.526 20 10 FFCDLO COc1c(O)c(C[NH2+]Cc2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000775068343 1003510353 /nfs/dbraw/zinc/51/03/53/1003510353.db2.gz NMUYAVXIJNGABU-UHFFFAOYSA-N 1 2 356.338 2.649 20 10 FFCDLO COc1ccc(N2CCC[N@H+](CC(=O)OCc3ccccc3)CC2)cc1 ZINC000108360206 1005655756 /nfs/dbraw/zinc/65/57/56/1005655756.db2.gz OPKFIXQDKXNYEJ-UHFFFAOYSA-N 1 2 354.450 2.951 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](CC(=O)OCc3ccccc3)CC2)cc1 ZINC000108360206 1005655757 /nfs/dbraw/zinc/65/57/57/1005655757.db2.gz OPKFIXQDKXNYEJ-UHFFFAOYSA-N 1 2 354.450 2.951 20 10 FFCDLO COc1ccc(N2CC[C@@H]([NH2+][C@@H](c3cnn[nH]3)c3ccc(F)cc3)C2)cc1 ZINC000850489747 1005818686 /nfs/dbraw/zinc/81/86/86/1005818686.db2.gz WSEFWXVDLZKGAE-OXQOHEQNSA-N 1 2 367.428 2.910 20 10 FFCDLO C[N@@H+](Cc1ccccc1O)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000109770485 1005862509 /nfs/dbraw/zinc/86/25/09/1005862509.db2.gz UUYKUAMAVBRZBB-UHFFFAOYSA-N 1 2 354.389 2.674 20 10 FFCDLO C[N@H+](Cc1ccccc1O)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000109770485 1005862513 /nfs/dbraw/zinc/86/25/13/1005862513.db2.gz UUYKUAMAVBRZBB-UHFFFAOYSA-N 1 2 354.389 2.674 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875490 1008233413 /nfs/dbraw/zinc/23/34/13/1008233413.db2.gz QHLVJUPNRQAGGL-KPZWWZAWSA-N 1 2 354.406 2.543 20 10 FFCDLO CN1CCCc2cc(CNC(=O)c3cc(-n4cc[nH+]c4)ccc3O)ccc21 ZINC001136437113 1008447673 /nfs/dbraw/zinc/44/76/73/1008447673.db2.gz WRFBXXOUBBZQKE-UHFFFAOYSA-N 1 2 362.433 2.890 20 10 FFCDLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)c1ccccc1O ZINC000868952593 1011544939 /nfs/dbraw/zinc/54/49/39/1011544939.db2.gz JWGLLDFPIXAGEC-AWEZNQCLSA-N 1 2 372.494 2.901 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172824491 1012038741 /nfs/dbraw/zinc/03/87/41/1012038741.db2.gz YWFZUIXAHOHYGR-ROUUACIJSA-N 1 2 355.434 2.637 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cc(CO)on1 ZINC000924714025 1017442032 /nfs/dbraw/zinc/44/20/32/1017442032.db2.gz HQTQLEXVTPJRDE-MCIONIFRSA-N 1 2 363.433 2.770 20 10 FFCDLO COC(=O)[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1 ZINC000827655458 1018591591 /nfs/dbraw/zinc/59/15/91/1018591591.db2.gz VDBBGGVDXZVJBW-HNNXBMFYSA-N 1 2 373.428 2.696 20 10 FFCDLO COC(=O)[C@H]1CCC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1 ZINC000827655458 1018591601 /nfs/dbraw/zinc/59/16/01/1018591601.db2.gz VDBBGGVDXZVJBW-HNNXBMFYSA-N 1 2 373.428 2.696 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000802075894 1019722394 /nfs/dbraw/zinc/72/23/94/1019722394.db2.gz PPJONMHJECEUMU-UHFFFAOYSA-N 1 2 363.502 2.815 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000802075894 1019722410 /nfs/dbraw/zinc/72/24/10/1019722410.db2.gz PPJONMHJECEUMU-UHFFFAOYSA-N 1 2 363.502 2.815 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000802121868 1019766619 /nfs/dbraw/zinc/76/66/19/1019766619.db2.gz SQKIXHAOMNLVFJ-IAGOWNOFSA-N 1 2 363.502 2.813 20 10 FFCDLO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000779203775 1023352670 /nfs/dbraw/zinc/35/26/70/1023352670.db2.gz JUEXSYZZFLAIGG-RDTXWAMCSA-N 1 2 360.458 2.671 20 10 FFCDLO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000779203775 1023352677 /nfs/dbraw/zinc/35/26/77/1023352677.db2.gz JUEXSYZZFLAIGG-RDTXWAMCSA-N 1 2 360.458 2.671 20 10 FFCDLO CN1CCOc2cc(C[NH+]3CC(N4Cc5ccccc5NC4=O)C3)ccc21 ZINC001141145377 1025521937 /nfs/dbraw/zinc/52/19/37/1025521937.db2.gz BBKYGAYBIOTORP-UHFFFAOYSA-N 1 2 364.449 2.747 20 10 FFCDLO C[N@H+](CCN1CCOCC1)Cc1cc(Cl)cc(Br)c1O ZINC001141367957 1026042623 /nfs/dbraw/zinc/04/26/23/1026042623.db2.gz YGANGEONJNAOHX-UHFFFAOYSA-N 1 2 363.683 2.572 20 10 FFCDLO C[N@@H+](CCN1CCOCC1)Cc1cc(Cl)cc(Br)c1O ZINC001141367957 1026042642 /nfs/dbraw/zinc/04/26/42/1026042642.db2.gz YGANGEONJNAOHX-UHFFFAOYSA-N 1 2 363.683 2.572 20 10 FFCDLO CCn1ncc2c1C[N@H+](Cc1ccc(O)c(O)c1)C[C@@H]2COCC1CC1 ZINC001203877339 1030949277 /nfs/dbraw/zinc/94/92/77/1030949277.db2.gz DNZHBTNZLHSNRS-MRXNPFEDSA-N 1 2 357.454 2.840 20 10 FFCDLO CCn1ncc2c1C[N@@H+](Cc1ccc(O)c(O)c1)C[C@@H]2COCC1CC1 ZINC001203877339 1030949290 /nfs/dbraw/zinc/94/92/90/1030949290.db2.gz DNZHBTNZLHSNRS-MRXNPFEDSA-N 1 2 357.454 2.840 20 10 FFCDLO COc1cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc(O)c1O ZINC001204345738 1031240021 /nfs/dbraw/zinc/24/00/21/1031240021.db2.gz AXOLSZKUJBTLFZ-UHFFFAOYSA-N 1 2 352.431 2.549 20 10 FFCDLO COc1cc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc(O)c1O ZINC001204345738 1031240031 /nfs/dbraw/zinc/24/00/31/1031240031.db2.gz AXOLSZKUJBTLFZ-UHFFFAOYSA-N 1 2 352.431 2.549 20 10 FFCDLO COc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc(O)c1O ZINC001204347170 1031241923 /nfs/dbraw/zinc/24/19/23/1031241923.db2.gz OAHAXUPZQLPQHB-KGLIPLIRSA-N 1 2 364.442 2.548 20 10 FFCDLO COc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc(O)c1O ZINC001204347170 1031241939 /nfs/dbraw/zinc/24/19/39/1031241939.db2.gz OAHAXUPZQLPQHB-KGLIPLIRSA-N 1 2 364.442 2.548 20 10 FFCDLO COc1cc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc(O)c1O ZINC001204346183 1031242700 /nfs/dbraw/zinc/24/27/00/1031242700.db2.gz FVYRKPKMLZJTIM-ZIAGYGMSSA-N 1 2 364.442 2.548 20 10 FFCDLO COc1cc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc(O)c1O ZINC001204346183 1031242714 /nfs/dbraw/zinc/24/27/14/1031242714.db2.gz FVYRKPKMLZJTIM-ZIAGYGMSSA-N 1 2 364.442 2.548 20 10 FFCDLO COc1cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cc(O)c1O ZINC001204348140 1031244788 /nfs/dbraw/zinc/24/47/88/1031244788.db2.gz IKKMGHBLMCIRTD-UONOGXRCSA-N 1 2 360.435 2.548 20 10 FFCDLO COc1cc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cc(O)c1O ZINC001204348140 1031244794 /nfs/dbraw/zinc/24/47/94/1031244794.db2.gz IKKMGHBLMCIRTD-UONOGXRCSA-N 1 2 360.435 2.548 20 10 FFCDLO CC[C@H](C)[C@@H]([NH3+])CC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218920476 1033409407 /nfs/dbraw/zinc/40/94/07/1033409407.db2.gz VIRYXLXFGDILFB-ZBEGNZNMSA-N 1 2 366.417 2.870 20 10 FFCDLO OC[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC(F)(F)C1 ZINC001138337871 1034168873 /nfs/dbraw/zinc/16/88/73/1034168873.db2.gz FHYHYBVUYQOUCL-CYBMUJFWSA-N 1 2 352.425 2.541 20 10 FFCDLO OC[C@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC(F)(F)C1 ZINC001138337871 1034168882 /nfs/dbraw/zinc/16/88/82/1034168882.db2.gz FHYHYBVUYQOUCL-CYBMUJFWSA-N 1 2 352.425 2.541 20 10 FFCDLO CC(C)CN1CC2(C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)OCC1=O ZINC001277057378 1034328192 /nfs/dbraw/zinc/32/81/92/1034328192.db2.gz YWCSRMHSMIBQJR-UHFFFAOYSA-N 1 2 360.498 2.759 20 10 FFCDLO Cc1ccnc(O[C@H]2CC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139129951 1034958702 /nfs/dbraw/zinc/95/87/02/1034958702.db2.gz LMAJGWQKVFBJRI-AWEZNQCLSA-N 1 2 367.405 2.559 20 10 FFCDLO Cc1ccnc(O[C@H]2CC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139129951 1034958705 /nfs/dbraw/zinc/95/87/05/1034958705.db2.gz LMAJGWQKVFBJRI-AWEZNQCLSA-N 1 2 367.405 2.559 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001139134069 1034964163 /nfs/dbraw/zinc/96/41/63/1034964163.db2.gz WHXQQKNDHPUOQC-UHFFFAOYSA-N 1 2 365.433 2.914 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCN(c2cccnc2)CC1 ZINC001139134069 1034964177 /nfs/dbraw/zinc/96/41/77/1034964177.db2.gz WHXQQKNDHPUOQC-UHFFFAOYSA-N 1 2 365.433 2.914 20 10 FFCDLO COc1cc(O[C@H]2CC[N@H+](C)C2)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC001227395303 1035533873 /nfs/dbraw/zinc/53/38/73/1035533873.db2.gz NHNBNJCBLRQAKS-LBPRGKRZSA-N 1 2 367.401 2.568 20 10 FFCDLO COc1cc(O[C@H]2CC[N@@H+](C)C2)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC001227395303 1035533877 /nfs/dbraw/zinc/53/38/77/1035533877.db2.gz NHNBNJCBLRQAKS-LBPRGKRZSA-N 1 2 367.401 2.568 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cc(Cl)c(OC)cc2O)Cc2c1cnn2C ZINC001232268981 1035540697 /nfs/dbraw/zinc/54/06/97/1035540697.db2.gz XTRFGSXYIMRYMQ-ZDUSSCGKSA-N 1 2 365.861 2.924 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Cl)c(OC)cc2O)Cc2c1cnn2C ZINC001232268981 1035540710 /nfs/dbraw/zinc/54/07/10/1035540710.db2.gz XTRFGSXYIMRYMQ-ZDUSSCGKSA-N 1 2 365.861 2.924 20 10 FFCDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001277214967 1035586004 /nfs/dbraw/zinc/58/60/04/1035586004.db2.gz UVQBQJOZKLQBFE-CYBMUJFWSA-N 1 2 352.862 2.566 20 10 FFCDLO O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580935 1035662344 /nfs/dbraw/zinc/66/23/44/1035662344.db2.gz MLWCKMRFFVWUDP-LJQANCHMSA-N 1 2 350.409 2.895 20 10 FFCDLO O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580935 1035662350 /nfs/dbraw/zinc/66/23/50/1035662350.db2.gz MLWCKMRFFVWUDP-LJQANCHMSA-N 1 2 350.409 2.895 20 10 FFCDLO O=C(c1ccsc1)N1C[C@@H]2C[NH+](Cc3c(O)cc(F)cc3F)C[C@H]2C1 ZINC001140581134 1035662450 /nfs/dbraw/zinc/66/24/50/1035662450.db2.gz QTJAPUPZCDNPJU-STQMWFEESA-N 1 2 364.417 2.936 20 10 FFCDLO CC(C)=CCN1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232117 1035677163 /nfs/dbraw/zinc/67/71/63/1035677163.db2.gz KVFOUDGHBBAPQZ-IBGZPJMESA-N 1 2 364.873 2.815 20 10 FFCDLO CC(C)=CCN1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232117 1035677181 /nfs/dbraw/zinc/67/71/81/1035677181.db2.gz KVFOUDGHBBAPQZ-IBGZPJMESA-N 1 2 364.873 2.815 20 10 FFCDLO O=C1N(Cc2cnoc2)CC[C@@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232350 1035677757 /nfs/dbraw/zinc/67/77/57/1035677757.db2.gz PBZFAAHCYNGHSD-GOSISDBHSA-N 1 2 361.829 2.658 20 10 FFCDLO O=C1N(Cc2cnoc2)CC[C@@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232350 1035677767 /nfs/dbraw/zinc/67/77/67/1035677767.db2.gz PBZFAAHCYNGHSD-GOSISDBHSA-N 1 2 361.829 2.658 20 10 FFCDLO CCOCCN1CC[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232574 1035681358 /nfs/dbraw/zinc/68/13/58/1035681358.db2.gz UPLKQCDTDJHIAV-SFHVURJKSA-N 1 2 352.862 2.507 20 10 FFCDLO CCOCCN1CC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232574 1035681363 /nfs/dbraw/zinc/68/13/63/1035681363.db2.gz UPLKQCDTDJHIAV-SFHVURJKSA-N 1 2 352.862 2.507 20 10 FFCDLO CCOc1ccnc(C[NH+]2CCN(c3ccc(OCCOC)cc3)CC2)c1 ZINC001232587653 1035845612 /nfs/dbraw/zinc/84/56/12/1035845612.db2.gz JTYFUBDEYGHJGC-UHFFFAOYSA-N 1 2 371.481 2.828 20 10 FFCDLO COc1cccc(C(=O)C2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)c1 ZINC001233010636 1036242506 /nfs/dbraw/zinc/24/25/06/1036242506.db2.gz SDWABMISYPWNTA-UHFFFAOYSA-N 1 2 357.406 2.907 20 10 FFCDLO CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001233076436 1036323197 /nfs/dbraw/zinc/32/31/97/1036323197.db2.gz ODTNTMAQLABHFC-IBGZPJMESA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001233076436 1036323217 /nfs/dbraw/zinc/32/32/17/1036323217.db2.gz ODTNTMAQLABHFC-IBGZPJMESA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001233076436 1036323237 /nfs/dbraw/zinc/32/32/37/1036323237.db2.gz ODTNTMAQLABHFC-IBGZPJMESA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001233076436 1036323258 /nfs/dbraw/zinc/32/32/58/1036323258.db2.gz ODTNTMAQLABHFC-IBGZPJMESA-N 1 2 354.441 2.993 20 10 FFCDLO Cc1cc(Br)cc(C[NH+]2CCN(C(=O)C3CCC3)CC2)c1O ZINC001233110215 1036354673 /nfs/dbraw/zinc/35/46/73/1036354673.db2.gz ZRXSQDUYMNOMOJ-UHFFFAOYSA-N 1 2 367.287 2.907 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC(N3Cc4ccccc4NC3=O)C2)c(OC)c1 ZINC001141032598 1036777791 /nfs/dbraw/zinc/77/77/91/1036777791.db2.gz IODMVVZJWJJPQZ-UHFFFAOYSA-N 1 2 369.421 2.641 20 10 FFCDLO C[NH+]1CC(Oc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)C1 ZINC001229758802 1036878242 /nfs/dbraw/zinc/87/82/42/1036878242.db2.gz QPMWNZWDIZPRII-UHFFFAOYSA-N 1 2 368.437 2.614 20 10 FFCDLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3O)C[C@@H]21 ZINC001235305179 1037464032 /nfs/dbraw/zinc/46/40/32/1037464032.db2.gz JVXPPLUITZZSJU-PJXYFTJBSA-N 1 2 358.207 2.535 20 10 FFCDLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3O)C[C@@H]21 ZINC001235305179 1037464039 /nfs/dbraw/zinc/46/40/39/1037464039.db2.gz JVXPPLUITZZSJU-PJXYFTJBSA-N 1 2 358.207 2.535 20 10 FFCDLO O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001231342842 1037540835 /nfs/dbraw/zinc/54/08/35/1037540835.db2.gz YJWQZXITOZEYBN-IBGZPJMESA-N 1 2 355.390 2.507 20 10 FFCDLO O=C(c1cccnc1)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1 ZINC001231912273 1038006902 /nfs/dbraw/zinc/00/69/02/1038006902.db2.gz YPMGOJOGPNHREZ-IYBDPMFKSA-N 1 2 357.841 2.645 20 10 FFCDLO O=C(c1cccnc1)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1 ZINC001231912273 1038006923 /nfs/dbraw/zinc/00/69/23/1038006923.db2.gz YPMGOJOGPNHREZ-IYBDPMFKSA-N 1 2 357.841 2.645 20 10 FFCDLO COc1cnc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC001231945193 1038037746 /nfs/dbraw/zinc/03/77/46/1038037746.db2.gz IDNZAEZZCOMXLR-UHFFFAOYSA-N 1 2 368.359 2.706 20 10 FFCDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1ccc(C(C)C)cc1O ZINC001237052927 1038425106 /nfs/dbraw/zinc/42/51/06/1038425106.db2.gz FJIOCYMUXZJEBG-UHFFFAOYSA-N 1 2 351.443 2.834 20 10 FFCDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1ccc(C(C)C)cc1O ZINC001237052927 1038425110 /nfs/dbraw/zinc/42/51/10/1038425110.db2.gz FJIOCYMUXZJEBG-UHFFFAOYSA-N 1 2 351.443 2.834 20 10 FFCDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)CCS1 ZINC001237115511 1038447843 /nfs/dbraw/zinc/44/78/43/1038447843.db2.gz UPBRETXSXSESFI-CYBMUJFWSA-N 1 2 365.373 2.771 20 10 FFCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCS1 ZINC001237115511 1038447850 /nfs/dbraw/zinc/44/78/50/1038447850.db2.gz UPBRETXSXSESFI-CYBMUJFWSA-N 1 2 365.373 2.771 20 10 FFCDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249263672 1040656067 /nfs/dbraw/zinc/65/60/67/1040656067.db2.gz ROKSBPKCFFGFNB-HNNXBMFYSA-N 1 2 361.438 2.730 20 10 FFCDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249263672 1040656077 /nfs/dbraw/zinc/65/60/77/1040656077.db2.gz ROKSBPKCFFGFNB-HNNXBMFYSA-N 1 2 361.438 2.730 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CC3(CCN3Cc3cccc(=O)[nH]3)C2)c(Cl)c1 ZINC001279333613 1043008043 /nfs/dbraw/zinc/00/80/43/1043008043.db2.gz IOMGRIGNDNDOIS-UHFFFAOYSA-N 1 2 372.900 2.967 20 10 FFCDLO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2c(O)cc(F)cc2F)c1 ZINC001237444108 1043169809 /nfs/dbraw/zinc/16/98/09/1043169809.db2.gz PGHAYFGSRUTHTA-KRWDZBQOSA-N 1 2 362.376 2.604 20 10 FFCDLO O=C(Cc1ccsc1)N1CC2(C1)C[NH+](Cc1c(O)ccc(F)c1F)C2 ZINC001279490571 1043176107 /nfs/dbraw/zinc/17/61/07/1043176107.db2.gz SFGDQOHSZUZARZ-UHFFFAOYSA-N 1 2 364.417 2.619 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001237618609 1043275551 /nfs/dbraw/zinc/27/55/51/1043275551.db2.gz JTHRPPVWXJBLOG-TZMCWYRMSA-N 1 2 362.836 2.933 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001237618609 1043275554 /nfs/dbraw/zinc/27/55/54/1043275554.db2.gz JTHRPPVWXJBLOG-TZMCWYRMSA-N 1 2 362.836 2.933 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1)c1ccccn1 ZINC001237803268 1043367671 /nfs/dbraw/zinc/36/76/71/1043367671.db2.gz RWUZUBHJYDYUNH-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO COc1ccc(CN2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)c(O)c1Cl ZINC001279665882 1043430133 /nfs/dbraw/zinc/43/01/33/1043430133.db2.gz RYGBTSIHTIGFNH-RDJZCZTQSA-N 1 2 366.889 2.882 20 10 FFCDLO COc1ccc(CN2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)c(O)c1Cl ZINC001279665882 1043430136 /nfs/dbraw/zinc/43/01/36/1043430136.db2.gz RYGBTSIHTIGFNH-RDJZCZTQSA-N 1 2 366.889 2.882 20 10 FFCDLO O=C(NC1CCC(F)CC1)[C@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1 ZINC001279968549 1044002853 /nfs/dbraw/zinc/00/28/53/1044002853.db2.gz LXWOLBFHDRUDKM-LEOMRAHMSA-N 1 2 362.445 2.523 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N([C@@H](C)C3CC3)C3CC3)CC2)cc1 ZINC001319715956 1045249710 /nfs/dbraw/zinc/24/97/10/1045249710.db2.gz YXGVMASVBKNZAL-KRWDZBQOSA-N 1 2 371.525 2.997 20 10 FFCDLO C[C@@H]([NH2+]CCOCCCO)c1cc(Br)cc(Cl)c1O ZINC001345425636 1052439852 /nfs/dbraw/zinc/43/98/52/1052439852.db2.gz BFLCDLZCSIMTMW-SECBINFHSA-N 1 2 352.656 2.858 20 10 FFCDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC001308698766 1052488134 /nfs/dbraw/zinc/48/81/34/1052488134.db2.gz ZCHZAMYYWIVADX-INIZCTEOSA-N 1 2 355.276 2.954 20 10 FFCDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC001308698766 1052488138 /nfs/dbraw/zinc/48/81/38/1052488138.db2.gz ZCHZAMYYWIVADX-INIZCTEOSA-N 1 2 355.276 2.954 20 10 FFCDLO Nc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 ZINC001336117543 1053780001 /nfs/dbraw/zinc/78/00/01/1053780001.db2.gz OYEOBHWMRMSVHH-UHFFFAOYSA-N 1 2 361.392 2.828 20 10 FFCDLO COc1ccc(N2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC2)cc1F ZINC000847557959 1056050605 /nfs/dbraw/zinc/05/06/05/1056050605.db2.gz UXFIQBDCSAQXDH-UHFFFAOYSA-N 1 2 368.412 2.753 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001473574417 1065285478 /nfs/dbraw/zinc/28/54/78/1065285478.db2.gz XGKJVQASHWQUQG-UKRRQHHQSA-N 1 2 361.360 2.867 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001473574417 1065285493 /nfs/dbraw/zinc/28/54/93/1065285493.db2.gz XGKJVQASHWQUQG-UKRRQHHQSA-N 1 2 361.360 2.867 20 10 FFCDLO COc1cc[nH+]cc1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001555122479 1075645142 /nfs/dbraw/zinc/64/51/42/1075645142.db2.gz CJSASLDCJZCFBA-UHFFFAOYSA-N 1 2 365.437 2.949 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccc1C ZINC001556639399 1075760533 /nfs/dbraw/zinc/76/05/33/1075760533.db2.gz DKIPSFLWENSWEK-KDURUIRLSA-N 1 2 367.493 2.996 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccc1C ZINC001556639399 1075760536 /nfs/dbraw/zinc/76/05/36/1075760536.db2.gz DKIPSFLWENSWEK-KDURUIRLSA-N 1 2 367.493 2.996 20 10 FFCDLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC001560693471 1076291909 /nfs/dbraw/zinc/29/19/09/1076291909.db2.gz JDZKQBNGXPGGHP-DTWKUNHWSA-N 1 2 361.667 2.894 20 10 FFCDLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC001560693471 1076291911 /nfs/dbraw/zinc/29/19/11/1076291911.db2.gz JDZKQBNGXPGGHP-DTWKUNHWSA-N 1 2 361.667 2.894 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589969256 1080911319 /nfs/dbraw/zinc/91/13/19/1080911319.db2.gz BUSJWJSBZDZWDB-LBPRGKRZSA-N 1 2 353.426 2.651 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589973613 1080914326 /nfs/dbraw/zinc/91/43/26/1080914326.db2.gz ILFBUIRTUQSEDJ-FRRDWIJNSA-N 1 2 373.457 2.733 20 10 FFCDLO Cc1nn(C)c(=O)c(-c2nc(C[N@H+](C)Cc3ccccc3O)cs2)c1C ZINC000177153973 509905397 /nfs/dbraw/zinc/90/53/97/509905397.db2.gz XSMVKFWZUMRAOB-UHFFFAOYSA-N 1 2 370.478 2.858 20 10 FFCDLO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+](C)Cc3ccccc3O)cs2)c1C ZINC000177153973 509905400 /nfs/dbraw/zinc/90/54/00/509905400.db2.gz XSMVKFWZUMRAOB-UHFFFAOYSA-N 1 2 370.478 2.858 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000245720432 510105841 /nfs/dbraw/zinc/10/58/41/510105841.db2.gz DGUSYHMOSKYJFK-HIFRSBDPSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000245720432 510105847 /nfs/dbraw/zinc/10/58/47/510105847.db2.gz DGUSYHMOSKYJFK-HIFRSBDPSA-N 1 2 372.259 2.543 20 10 FFCDLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187694045 510390247 /nfs/dbraw/zinc/39/02/47/510390247.db2.gz NABXYNQFAGXHLV-WDEREUQCSA-N 1 2 370.421 2.990 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1O ZINC000191215373 510552879 /nfs/dbraw/zinc/55/28/79/510552879.db2.gz UEVLPBQHDRBSRC-LLVKDONJSA-N 1 2 370.421 2.772 20 10 FFCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000276647442 510944229 /nfs/dbraw/zinc/94/42/29/510944229.db2.gz WEZZVICWGVMKMF-QPGLYAHGSA-N 1 2 354.454 2.697 20 10 FFCDLO CS(=O)(=O)c1cccnc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000278879584 511011871 /nfs/dbraw/zinc/01/18/71/511011871.db2.gz ZKMSHACNSNDQOA-UHFFFAOYSA-N 1 2 359.495 2.765 20 10 FFCDLO COc1cc(Cl)cc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000290523244 511144470 /nfs/dbraw/zinc/14/44/70/511144470.db2.gz QDNLRJMLNGHXNT-CYBMUJFWSA-N 1 2 353.827 2.672 20 10 FFCDLO COc1cc(O)c(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)cc1OC ZINC000290808192 511151467 /nfs/dbraw/zinc/15/14/67/511151467.db2.gz FWDRRKUKPVRJPF-NSHDSACASA-N 1 2 351.403 2.568 20 10 FFCDLO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cccc(Cl)c1O ZINC000280031851 511311894 /nfs/dbraw/zinc/31/18/94/511311894.db2.gz VZUSIGMTIMLOOA-HOCLYGCPSA-N 1 2 366.868 2.824 20 10 FFCDLO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000280031851 511311896 /nfs/dbraw/zinc/31/18/96/511311896.db2.gz VZUSIGMTIMLOOA-HOCLYGCPSA-N 1 2 366.868 2.824 20 10 FFCDLO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273424154 511524462 /nfs/dbraw/zinc/52/44/62/511524462.db2.gz SXZBKHWMBMWMGI-FZMZJTMJSA-N 1 2 350.346 2.530 20 10 FFCDLO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273415765 511524584 /nfs/dbraw/zinc/52/45/84/511524584.db2.gz QVDFJDUISHPWDE-APPDUMDISA-N 1 2 362.382 2.702 20 10 FFCDLO COc1ccc([NH+]2CCC(Nc3ncc(C(N)=O)cc3Cl)CC2)cc1 ZINC000301200009 511689746 /nfs/dbraw/zinc/68/97/46/511689746.db2.gz WDQUIXJHLSEHCW-UHFFFAOYSA-N 1 2 360.845 2.923 20 10 FFCDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](CC)c2ccc(F)cc2O)CC1 ZINC000296641014 511833567 /nfs/dbraw/zinc/83/35/67/511833567.db2.gz YCHOVOOLMTUUNR-ODCWNRFASA-N 1 2 371.474 2.759 20 10 FFCDLO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1=O ZINC000360023055 512064714 /nfs/dbraw/zinc/06/47/14/512064714.db2.gz QVVVKTUVNSFZNF-QFYYESIMSA-N 1 2 372.252 2.509 20 10 FFCDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1c(O)ccc2c1CCCC2 ZINC000369752941 512590454 /nfs/dbraw/zinc/59/04/54/512590454.db2.gz LVQHCXQFHWOFAE-UHFFFAOYSA-N 1 2 368.481 2.846 20 10 FFCDLO CC(C)n1cc(CN[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000367968721 512745603 /nfs/dbraw/zinc/74/56/03/512745603.db2.gz RSDLUTHWTVNVJT-INIZCTEOSA-N 1 2 363.893 2.972 20 10 FFCDLO CC(C)n1cc(CN[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000367968721 512745605 /nfs/dbraw/zinc/74/56/05/512745605.db2.gz RSDLUTHWTVNVJT-INIZCTEOSA-N 1 2 363.893 2.972 20 10 FFCDLO COc1cc(Br)cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000374546372 512884457 /nfs/dbraw/zinc/88/44/57/512884457.db2.gz UGMIWZUYQDQBAY-GFCCVEGCSA-N 1 2 352.232 2.534 20 10 FFCDLO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(Br)cc(Cl)c1O ZINC000527958386 518012861 /nfs/dbraw/zinc/01/28/61/518012861.db2.gz VPUJVFOIYLXJTQ-HJIKLVIJSA-N 1 2 364.667 2.999 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCOC1 ZINC000133488192 728727063 /nfs/dbraw/zinc/72/70/63/728727063.db2.gz BOMIIXXDGUKEFO-SECBINFHSA-N 1 2 351.038 2.796 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1O ZINC000177283416 729133353 /nfs/dbraw/zinc/13/33/53/729133353.db2.gz DKTGYXICBWCNQG-KRWDZBQOSA-N 1 2 366.889 2.935 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1O ZINC000177283416 729133357 /nfs/dbraw/zinc/13/33/57/729133357.db2.gz DKTGYXICBWCNQG-KRWDZBQOSA-N 1 2 366.889 2.935 20 10 FFCDLO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc(Br)c(F)cc1O ZINC000779069596 738433813 /nfs/dbraw/zinc/43/38/13/738433813.db2.gz WAQDECXRZCPVQT-ZETCQYMHSA-N 1 2 357.179 2.837 20 10 FFCDLO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(Cl)c1O ZINC000858498501 730427254 /nfs/dbraw/zinc/42/72/54/730427254.db2.gz QFCFKONIQGLITE-RBSFLKMASA-N 1 2 360.907 2.947 20 10 FFCDLO Cc1cc(CN2CC[NH+](Cc3c(O)cccc3Br)CC2)no1 ZINC000862214190 730676642 /nfs/dbraw/zinc/67/66/42/730676642.db2.gz JFXRCEBFZOKBKL-UHFFFAOYSA-N 1 2 366.259 2.769 20 10 FFCDLO CN(CC[NH+]1CC2(C1)CCOCC2)Cc1ccc(Br)cc1O ZINC000877766931 732426332 /nfs/dbraw/zinc/42/63/32/732426332.db2.gz PUKUXQBWWLGREM-UHFFFAOYSA-N 1 2 369.303 2.699 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1F ZINC000877789827 732432138 /nfs/dbraw/zinc/43/21/38/732432138.db2.gz CSLYRWMOWJQAPG-HOTGVXAUSA-N 1 2 354.491 2.538 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1F ZINC000877789827 732432140 /nfs/dbraw/zinc/43/21/40/732432140.db2.gz CSLYRWMOWJQAPG-HOTGVXAUSA-N 1 2 354.491 2.538 20 10 FFCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1nnc2n1CCC2 ZINC000882886433 733307861 /nfs/dbraw/zinc/30/78/61/733307861.db2.gz UDYPUIRWQLBBFO-MRVPVSSYSA-N 1 2 355.211 2.682 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724588024 734386977 /nfs/dbraw/zinc/38/69/77/734386977.db2.gz XZAJRGIHEJSLNU-CDMKHQONSA-N 1 2 362.651 2.702 20 10 FFCDLO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893865139 734764025 /nfs/dbraw/zinc/76/40/25/734764025.db2.gz HYKBRJLCLBGKQZ-LLVKDONJSA-N 1 2 359.239 2.642 20 10 FFCDLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893865139 734764029 /nfs/dbraw/zinc/76/40/29/734764029.db2.gz HYKBRJLCLBGKQZ-LLVKDONJSA-N 1 2 359.239 2.642 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000894492939 734868184 /nfs/dbraw/zinc/86/81/84/734868184.db2.gz GGISKOVJTPGIRQ-UHFFFAOYSA-N 1 2 369.238 2.798 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCNC(=O)CC23CCC3)c1 ZINC000895926678 735074577 /nfs/dbraw/zinc/07/45/77/735074577.db2.gz BQOWDNJXDFANNH-UHFFFAOYSA-N 1 2 353.260 2.708 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCNC(=O)CC23CCC3)c1 ZINC000895926678 735074582 /nfs/dbraw/zinc/07/45/82/735074582.db2.gz BQOWDNJXDFANNH-UHFFFAOYSA-N 1 2 353.260 2.708 20 10 FFCDLO Cc1nc([C@@H]2CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)no1 ZINC000896229350 735122129 /nfs/dbraw/zinc/12/21/29/735122129.db2.gz BSYFPHLFBRXKAB-SECBINFHSA-N 1 2 356.195 2.975 20 10 FFCDLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)no1 ZINC000896229350 735122131 /nfs/dbraw/zinc/12/21/31/735122131.db2.gz BSYFPHLFBRXKAB-SECBINFHSA-N 1 2 356.195 2.975 20 10 FFCDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000748051371 735611912 /nfs/dbraw/zinc/61/19/12/735611912.db2.gz RXPNNYCMTUCDCQ-CQSZACIVSA-N 1 2 354.834 2.959 20 10 FFCDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000748051371 735611914 /nfs/dbraw/zinc/61/19/14/735611914.db2.gz RXPNNYCMTUCDCQ-CQSZACIVSA-N 1 2 354.834 2.959 20 10 FFCDLO C[C@H]([NH2+]CCCN1CCOCC1)c1cc(Br)c(F)cc1O ZINC000756342738 736323881 /nfs/dbraw/zinc/32/38/81/736323881.db2.gz KXMJAGJDGUMWGV-NSHDSACASA-N 1 2 361.255 2.667 20 10 FFCDLO C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(F)cc(F)c1O ZINC000756386766 736326858 /nfs/dbraw/zinc/32/68/58/736326858.db2.gz ZMDPQUVMOZVSSF-SNVBAGLBSA-N 1 2 356.394 2.893 20 10 FFCDLO CCn1cnnc1CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756734042 736356599 /nfs/dbraw/zinc/35/65/99/736356599.db2.gz SWYIXCJUGYOAIA-VIFPVBQESA-N 1 2 357.227 2.799 20 10 FFCDLO CCn1cnnc1CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756734586 736356860 /nfs/dbraw/zinc/35/68/60/736356860.db2.gz XXTDVRPVOWEEFI-SECBINFHSA-N 1 2 357.227 2.799 20 10 FFCDLO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000776014560 738152147 /nfs/dbraw/zinc/15/21/47/738152147.db2.gz JPLAAIFVDDZTPK-UHFFFAOYSA-N 1 2 372.849 2.725 20 10 FFCDLO COc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c1O ZINC000787288923 739123550 /nfs/dbraw/zinc/12/35/50/739123550.db2.gz QONFWVFDXVIMBZ-HNNXBMFYSA-N 1 2 367.877 2.632 20 10 FFCDLO COc1cc(Cl)cc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c1O ZINC000787288923 739123552 /nfs/dbraw/zinc/12/35/52/739123552.db2.gz QONFWVFDXVIMBZ-HNNXBMFYSA-N 1 2 367.877 2.632 20 10 FFCDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(Br)c1O)C[C@@H](C)O2 ZINC000790930626 739515049 /nfs/dbraw/zinc/51/50/49/739515049.db2.gz BETHSBFCZJFEBG-HSMVNMDESA-N 1 2 356.260 2.923 20 10 FFCDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(Br)c1O)C[C@@H](C)O2 ZINC000790930626 739515053 /nfs/dbraw/zinc/51/50/53/739515053.db2.gz BETHSBFCZJFEBG-HSMVNMDESA-N 1 2 356.260 2.923 20 10 FFCDLO CCC[N@H+](Cc1cc(Br)ccc1O)[C@H](COC)C(=O)OCC ZINC000792185993 739648676 /nfs/dbraw/zinc/64/86/76/739648676.db2.gz NKNYDZRHMBLKIO-CQSZACIVSA-N 1 2 374.275 2.945 20 10 FFCDLO CCC[N@@H+](Cc1cc(Br)ccc1O)[C@H](COC)C(=O)OCC ZINC000792185993 739648679 /nfs/dbraw/zinc/64/86/79/739648679.db2.gz NKNYDZRHMBLKIO-CQSZACIVSA-N 1 2 374.275 2.945 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000792840349 739711733 /nfs/dbraw/zinc/71/17/33/739711733.db2.gz GNFQHCDJUMVUSJ-CQSZACIVSA-N 1 2 357.376 2.798 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000792840349 739711738 /nfs/dbraw/zinc/71/17/38/739711738.db2.gz GNFQHCDJUMVUSJ-CQSZACIVSA-N 1 2 357.376 2.798 20 10 FFCDLO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2)n(C)n1 ZINC000816592884 742045330 /nfs/dbraw/zinc/04/53/30/742045330.db2.gz XILGJPFSIHFGAE-ZDUSSCGKSA-N 1 2 352.841 2.985 20 10 FFCDLO O=S1(=O)C[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)c2ccccc21 ZINC000824514673 743097115 /nfs/dbraw/zinc/09/71/15/743097115.db2.gz BIHJJPUTIDUOAK-NSHDSACASA-N 1 2 355.818 2.845 20 10 FFCDLO Cc1cc(CN2CC[NH+](Cc3ccc(Br)cc3O)CC2)no1 ZINC000824535746 743101055 /nfs/dbraw/zinc/10/10/55/743101055.db2.gz WPEFNGRCMFKMAG-UHFFFAOYSA-N 1 2 366.259 2.769 20 10 FFCDLO COC1CCN(c2ccc(C[NH+]3C[C@@H](C)S(=O)[C@H](C)C3)cc2)CC1 ZINC000829171543 745175520 /nfs/dbraw/zinc/17/55/20/745175520.db2.gz WAFQECPMZMMWGO-HZPDHXFCSA-N 1 2 350.528 2.643 20 10 FFCDLO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2ccccc2S(N)(=O)=O)cc1 ZINC000835055666 745941095 /nfs/dbraw/zinc/94/10/95/745941095.db2.gz NMNHERNMZIGWPX-SREVYHEPSA-N 1 2 359.495 2.545 20 10 FFCDLO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)cc1 ZINC000835055666 745941100 /nfs/dbraw/zinc/94/11/00/745941100.db2.gz NMNHERNMZIGWPX-SREVYHEPSA-N 1 2 359.495 2.545 20 10 FFCDLO O=S1(=O)C[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)Oc2ccccc21 ZINC000843417844 747833522 /nfs/dbraw/zinc/83/35/22/747833522.db2.gz MJLQMIFDLROPNA-LBPRGKRZSA-N 1 2 371.817 2.509 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1 ZINC001206245311 1013439309 /nfs/dbraw/zinc/43/93/09/1013439309.db2.gz SSKLUUCZJNUYEL-LBPRGKRZSA-N 1 2 353.182 2.929 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c1 ZINC001206245311 1013439317 /nfs/dbraw/zinc/43/93/17/1013439317.db2.gz SSKLUUCZJNUYEL-LBPRGKRZSA-N 1 2 353.182 2.929 20 10 FFCDLO COc1ccc(O)c([C@H](C)NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000728951702 978067088 /nfs/dbraw/zinc/06/70/88/978067088.db2.gz FFQUTYCRHHJHFO-ZDUSSCGKSA-N 1 2 359.426 2.982 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(C)n1-c1ccccc1C ZINC000729385880 978271697 /nfs/dbraw/zinc/27/16/97/978271697.db2.gz XTILXNMGRFORCB-KRWDZBQOSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(C)n1-c1ccccc1C ZINC000729385880 978271706 /nfs/dbraw/zinc/27/17/06/978271706.db2.gz XTILXNMGRFORCB-KRWDZBQOSA-N 1 2 355.482 2.853 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3c(C4CC4)cnn3C)CC2)c(OC)c1 ZINC000877708306 1014692076 /nfs/dbraw/zinc/69/20/76/1014692076.db2.gz IEIDGWKYSNPUQM-UHFFFAOYSA-N 1 2 356.470 2.637 20 10 FFCDLO COCC[NH+]1CCN(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000171052202 985210254 /nfs/dbraw/zinc/21/02/54/985210254.db2.gz YSEDIJPXWHPJIM-UHFFFAOYSA-N 1 2 369.509 2.849 20 10 FFCDLO Cc1conc1C[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068067 986182370 /nfs/dbraw/zinc/18/23/70/986182370.db2.gz KQXQKZGJSNALOX-DOMZBBRYSA-N 1 2 370.413 2.538 20 10 FFCDLO Cc1conc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068067 986182375 /nfs/dbraw/zinc/18/23/75/986182375.db2.gz KQXQKZGJSNALOX-DOMZBBRYSA-N 1 2 370.413 2.538 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)C[C@](C)(c3ccccc3)C2=O)cc1 ZINC000763306477 989674523 /nfs/dbraw/zinc/67/45/23/989674523.db2.gz LRJIMVMHBVQUQI-JOCHJYFZSA-N 1 2 365.477 2.859 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)C[C@](C)(c3ccccc3)C2=O)cc1 ZINC000763306477 989674527 /nfs/dbraw/zinc/67/45/27/989674527.db2.gz LRJIMVMHBVQUQI-JOCHJYFZSA-N 1 2 365.477 2.859 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccccc1C ZINC001136874825 996935659 /nfs/dbraw/zinc/93/56/59/996935659.db2.gz UEVVHJVCKADKIZ-UTKZUKDTSA-N 1 2 368.525 2.767 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccccc1C ZINC001136874825 996935668 /nfs/dbraw/zinc/93/56/68/996935668.db2.gz UEVVHJVCKADKIZ-UTKZUKDTSA-N 1 2 368.525 2.767 20 10 FFCDLO COc1ccc(N(C)CCN(C)c2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000845673586 998628484 /nfs/dbraw/zinc/62/84/84/998628484.db2.gz SBEBKUVADQNXSB-UHFFFAOYSA-N 1 2 373.526 2.611 20 10 FFCDLO COc1ccc(N(C)CCN(C)c2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000845673586 998628488 /nfs/dbraw/zinc/62/84/88/998628488.db2.gz SBEBKUVADQNXSB-UHFFFAOYSA-N 1 2 373.526 2.611 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)N3CC(n4cc[nH+]c4)C3)c2C)cc1 ZINC000733884548 999096152 /nfs/dbraw/zinc/09/61/52/999096152.db2.gz GNMVXYWFMKAFFB-UHFFFAOYSA-N 1 2 350.422 2.996 20 10 FFCDLO O=C1C[N@H+](Cc2c(O)ccc3ccncc32)CCN1Cc1cccc(F)c1 ZINC000742155501 999762560 /nfs/dbraw/zinc/76/25/60/999762560.db2.gz JXMJZKRVPCTYQR-UHFFFAOYSA-N 1 2 365.408 2.924 20 10 FFCDLO O=C1C[N@@H+](Cc2c(O)ccc3ccncc32)CCN1Cc1cccc(F)c1 ZINC000742155501 999762562 /nfs/dbraw/zinc/76/25/62/999762562.db2.gz JXMJZKRVPCTYQR-UHFFFAOYSA-N 1 2 365.408 2.924 20 10 FFCDLO CCc1ccc(CN2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)s1 ZINC000768445767 1000250457 /nfs/dbraw/zinc/25/04/57/1000250457.db2.gz JDWFCVTZDHGIGE-IBGZPJMESA-N 1 2 374.506 2.760 20 10 FFCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000770352509 1000766249 /nfs/dbraw/zinc/76/62/49/1000766249.db2.gz OAMIMFBKZVWPTH-DYVFJYSZSA-N 1 2 366.458 2.515 20 10 FFCDLO COc1cccc(O)c1C[N@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000770352509 1000766257 /nfs/dbraw/zinc/76/62/57/1000766257.db2.gz OAMIMFBKZVWPTH-DYVFJYSZSA-N 1 2 366.458 2.515 20 10 FFCDLO O=C1N(CC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001276191759 1016503002 /nfs/dbraw/zinc/50/30/02/1016503002.db2.gz SLPGJYDZFHIUJK-OAHLLOKOSA-N 1 2 364.314 2.800 20 10 FFCDLO O=C1N(CC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001276191759 1016503012 /nfs/dbraw/zinc/50/30/12/1016503012.db2.gz SLPGJYDZFHIUJK-OAHLLOKOSA-N 1 2 364.314 2.800 20 10 FFCDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1F ZINC000789962924 1002240434 /nfs/dbraw/zinc/24/04/34/1002240434.db2.gz CVKSJFROQYNYRG-UHFFFAOYSA-N 1 2 359.332 2.800 20 10 FFCDLO COc1ccc(N2CC[C@@H]([NH2+][C@H](c3cnn[nH]3)c3ccc(F)cc3)C2)cc1 ZINC000850489749 1005818426 /nfs/dbraw/zinc/81/84/26/1005818426.db2.gz WSEFWXVDLZKGAE-UZLBHIALSA-N 1 2 367.428 2.910 20 10 FFCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NCc1cccnc1 ZINC000111232815 1006361213 /nfs/dbraw/zinc/36/12/13/1006361213.db2.gz GJGPMIYTJLOMSJ-UHFFFAOYSA-N 1 2 351.406 2.699 20 10 FFCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NCc1cccnc1 ZINC000111232815 1006361224 /nfs/dbraw/zinc/36/12/24/1006361224.db2.gz GJGPMIYTJLOMSJ-UHFFFAOYSA-N 1 2 351.406 2.699 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c(Br)c1 ZINC001206244762 1032197937 /nfs/dbraw/zinc/19/79/37/1032197937.db2.gz NJVVQLKHFKWLDW-GFCCVEGCSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)c(Br)c1 ZINC001206244762 1032197939 /nfs/dbraw/zinc/19/79/39/1032197939.db2.gz NJVVQLKHFKWLDW-GFCCVEGCSA-N 1 2 369.181 2.629 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccc2c(c1)ncn2C)Cc1ccccc1O ZINC000822512113 1008661706 /nfs/dbraw/zinc/66/17/06/1008661706.db2.gz VIABBWFNGZAIMY-UHFFFAOYSA-N 1 2 353.422 2.844 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccc2c(c1)ncn2C)Cc1ccccc1O ZINC000822512113 1008661713 /nfs/dbraw/zinc/66/17/13/1008661713.db2.gz VIABBWFNGZAIMY-UHFFFAOYSA-N 1 2 353.422 2.844 20 10 FFCDLO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1O ZINC000823575983 1009116640 /nfs/dbraw/zinc/11/66/40/1009116640.db2.gz GIRJJKJWXLIBIJ-UHFFFAOYSA-N 1 2 374.412 2.925 20 10 FFCDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1O ZINC000823575983 1009116647 /nfs/dbraw/zinc/11/66/47/1009116647.db2.gz GIRJJKJWXLIBIJ-UHFFFAOYSA-N 1 2 374.412 2.925 20 10 FFCDLO COCC[N@H+]1[C@H](C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC001171532405 1011353573 /nfs/dbraw/zinc/35/35/73/1011353573.db2.gz APIJKDUWZQOYDF-BETUJISGSA-N 1 2 354.878 2.789 20 10 FFCDLO COCC[N@@H+]1[C@H](C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC001171532405 1011353582 /nfs/dbraw/zinc/35/35/82/1011353582.db2.gz APIJKDUWZQOYDF-BETUJISGSA-N 1 2 354.878 2.789 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171550075 1011378901 /nfs/dbraw/zinc/37/89/01/1011378901.db2.gz RVSKEBNAKVHOGD-AEFFLSMTSA-N 1 2 355.434 2.637 20 10 FFCDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001275229671 1012109329 /nfs/dbraw/zinc/10/93/29/1012109329.db2.gz NLNADSDYTADQIF-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(F)cc1F ZINC001275229671 1012109338 /nfs/dbraw/zinc/10/93/38/1012109338.db2.gz NLNADSDYTADQIF-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCCO)C2CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000749845448 1021054474 /nfs/dbraw/zinc/05/44/74/1021054474.db2.gz SGKPJAWHLJDHSH-UHFFFAOYSA-N 1 2 370.449 2.852 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCCO)C2CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000749845448 1021054478 /nfs/dbraw/zinc/05/44/78/1021054478.db2.gz SGKPJAWHLJDHSH-UHFFFAOYSA-N 1 2 370.449 2.852 20 10 FFCDLO CC[C@H](NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccn(C)n1 ZINC000756555444 1023728786 /nfs/dbraw/zinc/72/87/86/1023728786.db2.gz VFEYWJCUIMEDBI-SFHVURJKSA-N 1 2 359.493 2.942 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001137835386 1033172792 /nfs/dbraw/zinc/17/27/92/1033172792.db2.gz GGYJQMCZINMBQT-POZUXBRTSA-N 1 2 358.413 2.985 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001137835385 1033173796 /nfs/dbraw/zinc/17/37/96/1033173796.db2.gz GGYJQMCZINMBQT-LSBZLQRGSA-N 1 2 358.413 2.985 20 10 FFCDLO Oc1cccc(F)c1C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001137839646 1033182867 /nfs/dbraw/zinc/18/28/67/1033182867.db2.gz GEFHPTDMWYYENI-UHFFFAOYSA-N 1 2 356.323 2.662 20 10 FFCDLO Cc1cc(C)cc(OCC(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000779609059 1024264682 /nfs/dbraw/zinc/26/46/82/1024264682.db2.gz OTABTEDYFNYSGT-UHFFFAOYSA-N 1 2 372.440 2.871 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCc3ccccc3)CC2)cc1F ZINC000084865993 1025151261 /nfs/dbraw/zinc/15/12/61/1025151261.db2.gz DBOQEGQFKNSLFF-INIZCTEOSA-N 1 2 371.456 2.661 20 10 FFCDLO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1ncn(-c2ccccc2)c1=O ZINC000795414764 1026070635 /nfs/dbraw/zinc/07/06/35/1026070635.db2.gz XOGAMJUHEGVZKY-UHFFFAOYSA-N 1 2 365.481 2.968 20 10 FFCDLO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1ncn(-c2ccccc2)c1=O ZINC000795414764 1026070648 /nfs/dbraw/zinc/07/06/48/1026070648.db2.gz XOGAMJUHEGVZKY-UHFFFAOYSA-N 1 2 365.481 2.968 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000839171251 1026610912 /nfs/dbraw/zinc/61/09/12/1026610912.db2.gz BYOZMEANUPEZPS-NQIIRXRSSA-N 1 2 370.493 2.685 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000839171251 1026610917 /nfs/dbraw/zinc/61/09/17/1026610917.db2.gz BYOZMEANUPEZPS-NQIIRXRSSA-N 1 2 370.493 2.685 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839666771 1026785512 /nfs/dbraw/zinc/78/55/12/1026785512.db2.gz NUCMGVXRPZKGER-NQIIRXRSSA-N 1 2 370.493 2.569 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839666771 1026785522 /nfs/dbraw/zinc/78/55/22/1026785522.db2.gz NUCMGVXRPZKGER-NQIIRXRSSA-N 1 2 370.493 2.569 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CCN(Cc3noc(C)n3)CC2)cc1F ZINC000093274041 1027667393 /nfs/dbraw/zinc/66/73/93/1027667393.db2.gz WIPNNUPPYBHGNP-UHFFFAOYSA-N 1 2 361.465 2.681 20 10 FFCDLO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4cc(F)c(F)cc4O)C[C@H]3O2)n1 ZINC001142512924 1030561701 /nfs/dbraw/zinc/56/17/01/1030561701.db2.gz PXCIIXJCFSCHPZ-AMKSKSKJSA-N 1 2 351.353 2.714 20 10 FFCDLO COc1cccc(C[N@@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)c1O ZINC001203601600 1030782079 /nfs/dbraw/zinc/78/20/79/1030782079.db2.gz CGWNZJUAEIQJMY-OAHLLOKOSA-N 1 2 351.443 2.724 20 10 FFCDLO COc1cccc(C[N@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)c1O ZINC001203601600 1030782093 /nfs/dbraw/zinc/78/20/93/1030782093.db2.gz CGWNZJUAEIQJMY-OAHLLOKOSA-N 1 2 351.443 2.724 20 10 FFCDLO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3ccc(O)cc3O)[C@@H](C)C2)cc1 ZINC001204279185 1031205112 /nfs/dbraw/zinc/20/51/12/1031205112.db2.gz SNALKPKBLFDCGX-HNNXBMFYSA-N 1 2 370.449 2.591 20 10 FFCDLO COC(=O)c1ccc(C[N@H+]2CCN(Cc3ccc(O)cc3O)[C@@H](C)C2)cc1 ZINC001204279185 1031205126 /nfs/dbraw/zinc/20/51/26/1031205126.db2.gz SNALKPKBLFDCGX-HNNXBMFYSA-N 1 2 370.449 2.591 20 10 FFCDLO O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329564 1031231190 /nfs/dbraw/zinc/23/11/90/1031231190.db2.gz QDURFWRMGOFCRJ-UHFFFAOYSA-N 1 2 365.477 2.950 20 10 FFCDLO COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204346752 1031243169 /nfs/dbraw/zinc/24/31/69/1031243169.db2.gz YKAYNJYMIXPMKC-OLZOCXBDSA-N 1 2 370.421 2.544 20 10 FFCDLO COc1cc(C[N@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204346752 1031243181 /nfs/dbraw/zinc/24/31/81/1031243181.db2.gz YKAYNJYMIXPMKC-OLZOCXBDSA-N 1 2 370.421 2.544 20 10 FFCDLO CCCCN1C[C@@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968155 1033866683 /nfs/dbraw/zinc/86/66/83/1033866683.db2.gz YJMPZMLBJSMQGC-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1c(C)n(C)c3ccccc31)C2 ZINC001138253924 1034021671 /nfs/dbraw/zinc/02/16/71/1034021671.db2.gz KTWZABCSCDWMDL-OAHLLOKOSA-N 1 2 353.470 2.844 20 10 FFCDLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1c(C)n(C)c3ccccc31)C2 ZINC001138253924 1034021682 /nfs/dbraw/zinc/02/16/82/1034021682.db2.gz KTWZABCSCDWMDL-OAHLLOKOSA-N 1 2 353.470 2.844 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCc2cc(CO)ccc2C1 ZINC001139126739 1034956644 /nfs/dbraw/zinc/95/66/44/1034956644.db2.gz ONRXVRIHROEYQN-UHFFFAOYSA-N 1 2 351.402 2.858 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCc2cc(CO)ccc2C1 ZINC001139126739 1034956652 /nfs/dbraw/zinc/95/66/52/1034956652.db2.gz ONRXVRIHROEYQN-UHFFFAOYSA-N 1 2 351.402 2.858 20 10 FFCDLO Cc1cnc(N2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)s1 ZINC001139129018 1034958229 /nfs/dbraw/zinc/95/82/29/1034958229.db2.gz KWOXUKFKEDZWIO-UHFFFAOYSA-N 1 2 371.462 2.894 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001139132555 1034960432 /nfs/dbraw/zinc/96/04/32/1034960432.db2.gz WNUCMKKVSWZLAC-HNNXBMFYSA-N 1 2 352.390 2.855 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001139132555 1034960440 /nfs/dbraw/zinc/96/04/40/1034960440.db2.gz WNUCMKKVSWZLAC-HNNXBMFYSA-N 1 2 352.390 2.855 20 10 FFCDLO CN(C)C(=O)C[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001203019185 1035415816 /nfs/dbraw/zinc/41/58/16/1035415816.db2.gz IKZDYBVTJZCMSA-UHFFFAOYSA-N 1 2 364.449 2.705 20 10 FFCDLO COC(=O)N1CCN(c2ccc(N[C@H]3CCc4cccc(O)c43)c[nH+]2)CC1 ZINC000834815504 1035456110 /nfs/dbraw/zinc/45/61/10/1035456110.db2.gz WSBIDEWSRKHPGZ-INIZCTEOSA-N 1 2 368.437 2.775 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(F)cc(F)c1O ZINC000834909675 1035472775 /nfs/dbraw/zinc/47/27/75/1035472775.db2.gz CQIKTUZDRIVQLM-AAEUAGOBSA-N 1 2 372.412 2.957 20 10 FFCDLO Oc1cc(O)c(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)cc1Cl ZINC001232258209 1035528517 /nfs/dbraw/zinc/52/85/17/1035528517.db2.gz SNOWHAVOFDCKDI-HZPDHXFCSA-N 1 2 359.857 2.710 20 10 FFCDLO Oc1cc(O)c(CN2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1Cl ZINC001232258209 1035528530 /nfs/dbraw/zinc/52/85/30/1035528530.db2.gz SNOWHAVOFDCKDI-HZPDHXFCSA-N 1 2 359.857 2.710 20 10 FFCDLO Oc1cc(O)c(C[NH+]2CCN(c3nccc(Cl)n3)CC2)cc1Cl ZINC001232264400 1035536539 /nfs/dbraw/zinc/53/65/39/1035536539.db2.gz BDGAXKGBPRZPMX-UHFFFAOYSA-N 1 2 355.225 2.517 20 10 FFCDLO COC(=O)c1c(C[NH+]2CCN(c3nccs3)CC2)c2ccccc2n1C ZINC001232402489 1035650997 /nfs/dbraw/zinc/65/09/97/1035650997.db2.gz OKLAKOHEUGOQMG-UHFFFAOYSA-N 1 2 370.478 2.744 20 10 FFCDLO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3c(O)cc(F)cc3F)CC2)C1 ZINC001140585966 1035670656 /nfs/dbraw/zinc/67/06/56/1035670656.db2.gz XNYJSYFDRLNDGE-CYBMUJFWSA-N 1 2 368.424 2.520 20 10 FFCDLO COC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3c(O)cc(F)cc3F)CC2)C1 ZINC001140585966 1035670666 /nfs/dbraw/zinc/67/06/66/1035670666.db2.gz XNYJSYFDRLNDGE-CYBMUJFWSA-N 1 2 368.424 2.520 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231477 1035670698 /nfs/dbraw/zinc/67/06/98/1035670698.db2.gz CCYUEEZAXGIWGH-XIKOKIGWSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231477 1035670700 /nfs/dbraw/zinc/67/07/00/1035670700.db2.gz CCYUEEZAXGIWGH-XIKOKIGWSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232530 1035681407 /nfs/dbraw/zinc/68/14/07/1035681407.db2.gz SNHPJSQJOILWMP-WFASDCNBSA-N 1 2 364.873 2.741 20 10 FFCDLO CCOCCN1CC[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232573 1035681959 /nfs/dbraw/zinc/68/19/59/1035681959.db2.gz UPLKQCDTDJHIAV-GOSISDBHSA-N 1 2 352.862 2.507 20 10 FFCDLO CCOCCN1CC[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232573 1035681965 /nfs/dbraw/zinc/68/19/65/1035681965.db2.gz UPLKQCDTDJHIAV-GOSISDBHSA-N 1 2 352.862 2.507 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3c(OC)cc(O)cc3OC)CC2)cc1 ZINC001140769001 1036093938 /nfs/dbraw/zinc/09/39/38/1036093938.db2.gz AHCZFNXWUQDMLX-UHFFFAOYSA-N 1 2 358.438 2.740 20 10 FFCDLO C[N@H+](CCN1CCCC1)Cc1ccc(I)cc1O ZINC001232980565 1036216365 /nfs/dbraw/zinc/21/63/65/1036216365.db2.gz SIAKGBIETGETRE-UHFFFAOYSA-N 1 2 360.239 2.524 20 10 FFCDLO C[N@@H+](CCN1CCCC1)Cc1ccc(I)cc1O ZINC001232980565 1036216382 /nfs/dbraw/zinc/21/63/82/1036216382.db2.gz SIAKGBIETGETRE-UHFFFAOYSA-N 1 2 360.239 2.524 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010784 1036242388 /nfs/dbraw/zinc/24/23/88/1036242388.db2.gz UFHHPTAIUOXLFL-SFHVURJKSA-N 1 2 352.431 2.683 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010784 1036242399 /nfs/dbraw/zinc/24/23/99/1036242399.db2.gz UFHHPTAIUOXLFL-SFHVURJKSA-N 1 2 352.431 2.683 20 10 FFCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233074188 1036319827 /nfs/dbraw/zinc/31/98/27/1036319827.db2.gz KPSTYIMDECVNMZ-CYBMUJFWSA-N 1 2 372.412 2.738 20 10 FFCDLO C[N@H+](Cc1ccc(F)c(F)c1O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233074188 1036319847 /nfs/dbraw/zinc/31/98/47/1036319847.db2.gz KPSTYIMDECVNMZ-CYBMUJFWSA-N 1 2 372.412 2.738 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)CC[C@@H]21 ZINC001235074086 1037341601 /nfs/dbraw/zinc/34/16/01/1037341601.db2.gz DTTUGOHLJVBAGM-YGRLFVJLSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)CC[C@@H]21 ZINC001235074086 1037341619 /nfs/dbraw/zinc/34/16/19/1037341619.db2.gz DTTUGOHLJVBAGM-YGRLFVJLSA-N 1 2 371.250 2.737 20 10 FFCDLO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C1 ZINC001231252995 1037514017 /nfs/dbraw/zinc/51/40/17/1037514017.db2.gz KESSEMNMEYGYTG-GFCCVEGCSA-N 1 2 366.373 2.843 20 10 FFCDLO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C1 ZINC001231252995 1037514025 /nfs/dbraw/zinc/51/40/25/1037514025.db2.gz KESSEMNMEYGYTG-GFCCVEGCSA-N 1 2 366.373 2.843 20 10 FFCDLO CCOCCN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277508158 1037540144 /nfs/dbraw/zinc/54/01/44/1037540144.db2.gz UUJQAXSANQTLRL-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO CCOCCN1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277508158 1037540157 /nfs/dbraw/zinc/54/01/57/1037540157.db2.gz UUJQAXSANQTLRL-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277508511 1037543832 /nfs/dbraw/zinc/54/38/32/1037543832.db2.gz XQRVZBSPRMIRKM-HZPDHXFCSA-N 1 2 370.852 2.787 20 10 FFCDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277508511 1037543846 /nfs/dbraw/zinc/54/38/46/1037543846.db2.gz XQRVZBSPRMIRKM-HZPDHXFCSA-N 1 2 370.852 2.787 20 10 FFCDLO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231638972 1037761784 /nfs/dbraw/zinc/76/17/84/1037761784.db2.gz JNEVDKJQEMVQOP-UHFFFAOYSA-N 1 2 352.431 2.596 20 10 FFCDLO [O-]c1c(I)cccc1C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236240508 1038000348 /nfs/dbraw/zinc/00/03/48/1038000348.db2.gz MNSAHXKUSQSRQL-CYBMUJFWSA-N 1 2 372.250 2.713 20 10 FFCDLO [O-]c1c(I)cccc1C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236240508 1038000366 /nfs/dbraw/zinc/00/03/66/1038000366.db2.gz MNSAHXKUSQSRQL-CYBMUJFWSA-N 1 2 372.250 2.713 20 10 FFCDLO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(Cl)c2O)O1)N1CCCC1 ZINC001231911668 1038008972 /nfs/dbraw/zinc/00/89/72/1038008972.db2.gz ORUZKUNROJJCSS-ZACQAIPSSA-N 1 2 364.873 2.790 20 10 FFCDLO CCc1ccc(C[NH+]2CCN(c3cccc(S(C)(=O)=O)c3)CC2)c(O)c1 ZINC001236786548 1038269398 /nfs/dbraw/zinc/26/93/98/1038269398.db2.gz CTAANDIDQIPJOK-UHFFFAOYSA-N 1 2 374.506 2.680 20 10 FFCDLO COC(=O)[C@H]1COCCC12C[NH+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236798084 1038277508 /nfs/dbraw/zinc/27/75/08/1038277508.db2.gz FZHRBHHHWPPSNY-LLVKDONJSA-N 1 2 360.237 2.711 20 10 FFCDLO COc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c(O)c1 ZINC001236810142 1038283974 /nfs/dbraw/zinc/28/39/74/1038283974.db2.gz COWBCMOHHBFKBX-LSDHHAIUSA-N 1 2 354.422 2.756 20 10 FFCDLO COc1cc(C)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c(O)c1 ZINC001236810142 1038283981 /nfs/dbraw/zinc/28/39/81/1038283981.db2.gz COWBCMOHHBFKBX-LSDHHAIUSA-N 1 2 354.422 2.756 20 10 FFCDLO COc1ccc(-c2nnc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)o2)cc1 ZINC001252036398 1039413360 /nfs/dbraw/zinc/41/33/60/1039413360.db2.gz HXRYDMAQKLJWEJ-UHFFFAOYSA-N 1 2 367.405 2.950 20 10 FFCDLO Cc1cccc(C[N@@H+]2C[C@]3(F)CN(CC4CCCC4)C(=O)[C@]3(F)C2)c1O ZINC001276683056 1039511708 /nfs/dbraw/zinc/51/17/08/1039511708.db2.gz DTEGPVCHJRRRQY-VQTJNVASSA-N 1 2 364.436 2.965 20 10 FFCDLO Cc1cccc(C[N@H+]2C[C@]3(F)CN(CC4CCCC4)C(=O)[C@]3(F)C2)c1O ZINC001276683056 1039511716 /nfs/dbraw/zinc/51/17/16/1039511716.db2.gz DTEGPVCHJRRRQY-VQTJNVASSA-N 1 2 364.436 2.965 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)NC3CCC(C)CC3)CC2)cc1 ZINC001253450387 1040187445 /nfs/dbraw/zinc/18/74/45/1040187445.db2.gz XJRIUTQZSSMUCH-UHFFFAOYSA-N 1 2 359.514 2.902 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(CC(=O)OC)cc1O ZINC001249171139 1040614588 /nfs/dbraw/zinc/61/45/88/1040614588.db2.gz AFXKFXUBVHMMOW-UHFFFAOYSA-N 1 2 371.433 2.673 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(CC(=O)OC)cc1O ZINC001249171139 1040614594 /nfs/dbraw/zinc/61/45/94/1040614594.db2.gz AFXKFXUBVHMMOW-UHFFFAOYSA-N 1 2 371.433 2.673 20 10 FFCDLO COC(=O)Cc1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001249173255 1040615995 /nfs/dbraw/zinc/61/59/95/1040615995.db2.gz SIAGHNUHKWSNGB-LJQANCHMSA-N 1 2 354.450 2.596 20 10 FFCDLO COC(=O)Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001249173255 1040615999 /nfs/dbraw/zinc/61/59/99/1040615999.db2.gz SIAGHNUHKWSNGB-LJQANCHMSA-N 1 2 354.450 2.596 20 10 FFCDLO COC(=O)Cc1ccc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c(O)c1 ZINC001249173254 1040616480 /nfs/dbraw/zinc/61/64/80/1040616480.db2.gz SIAGHNUHKWSNGB-IBGZPJMESA-N 1 2 354.450 2.596 20 10 FFCDLO COC(=O)Cc1ccc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(O)c1 ZINC001249173254 1040616486 /nfs/dbraw/zinc/61/64/86/1040616486.db2.gz SIAGHNUHKWSNGB-IBGZPJMESA-N 1 2 354.450 2.596 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252238 1040654327 /nfs/dbraw/zinc/65/43/27/1040654327.db2.gz JINBGZMNBMHDCX-PHZGNYQRSA-N 1 2 373.449 2.729 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252238 1040654334 /nfs/dbraw/zinc/65/43/34/1040654334.db2.gz JINBGZMNBMHDCX-PHZGNYQRSA-N 1 2 373.449 2.729 20 10 FFCDLO CCOC(=O)CCCOc1ccc(C[N@H+](C)Cc2ncccn2)c(O)c1 ZINC001249724353 1040958400 /nfs/dbraw/zinc/95/84/00/1040958400.db2.gz HICLKEDAMAMHOX-UHFFFAOYSA-N 1 2 359.426 2.536 20 10 FFCDLO CCOC(=O)CCCOc1ccc(C[N@@H+](C)Cc2ncccn2)c(O)c1 ZINC001249724353 1040958417 /nfs/dbraw/zinc/95/84/17/1040958417.db2.gz HICLKEDAMAMHOX-UHFFFAOYSA-N 1 2 359.426 2.536 20 10 FFCDLO Oc1ccc(Br)cc1CN1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001278565893 1041191764 /nfs/dbraw/zinc/19/17/64/1041191764.db2.gz VOXFIWQITBQUPF-UHFFFAOYSA-N 1 2 362.271 2.801 20 10 FFCDLO Oc1ccc(Br)cc1C[NH+]1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001278565893 1041191775 /nfs/dbraw/zinc/19/17/75/1041191775.db2.gz VOXFIWQITBQUPF-UHFFFAOYSA-N 1 2 362.271 2.801 20 10 FFCDLO COC1(CC(=O)N2CCC23C[NH+](Cc2cc(Cl)ccc2O)C3)CCC1 ZINC001278567043 1041196717 /nfs/dbraw/zinc/19/67/17/1041196717.db2.gz PYJLDDMKQLVNDL-UHFFFAOYSA-N 1 2 364.873 2.792 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cccc1F ZINC001279421887 1043094015 /nfs/dbraw/zinc/09/40/15/1043094015.db2.gz RIRXGFCNKBXCOJ-IYBDPMFKSA-N 1 2 357.429 2.667 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cccc1F ZINC001279421887 1043094027 /nfs/dbraw/zinc/09/40/27/1043094027.db2.gz RIRXGFCNKBXCOJ-IYBDPMFKSA-N 1 2 357.429 2.667 20 10 FFCDLO Oc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)cccc1C(F)(F)F ZINC001279504901 1043199034 /nfs/dbraw/zinc/19/90/34/1043199034.db2.gz MWLGTYUKPSLWQE-GASCZTMLSA-N 1 2 366.387 2.983 20 10 FFCDLO Oc1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)cccc1C(F)(F)F ZINC001279504901 1043199039 /nfs/dbraw/zinc/19/90/39/1043199039.db2.gz MWLGTYUKPSLWQE-GASCZTMLSA-N 1 2 366.387 2.983 20 10 FFCDLO COc1cc(O)c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)c(Cl)c1 ZINC001279665869 1043429841 /nfs/dbraw/zinc/42/98/41/1043429841.db2.gz RKRXYUZLZAEQJY-MJGOQNOKSA-N 1 2 366.889 2.882 20 10 FFCDLO COc1cc(O)c(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)c(Cl)c1 ZINC001279665869 1043429845 /nfs/dbraw/zinc/42/98/45/1043429845.db2.gz RKRXYUZLZAEQJY-MJGOQNOKSA-N 1 2 366.889 2.882 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c(Cl)c1 ZINC001279665869 1043429853 /nfs/dbraw/zinc/42/98/53/1043429853.db2.gz RKRXYUZLZAEQJY-MJGOQNOKSA-N 1 2 366.889 2.882 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c(Cl)c1 ZINC001279665869 1043429858 /nfs/dbraw/zinc/42/98/58/1043429858.db2.gz RKRXYUZLZAEQJY-MJGOQNOKSA-N 1 2 366.889 2.882 20 10 FFCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001279683881 1043463892 /nfs/dbraw/zinc/46/38/92/1043463892.db2.gz KSHGXFYKXCJYQO-OKILXGFUSA-N 1 2 365.836 2.598 20 10 FFCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001279683881 1043463898 /nfs/dbraw/zinc/46/38/98/1043463898.db2.gz KSHGXFYKXCJYQO-OKILXGFUSA-N 1 2 365.836 2.598 20 10 FFCDLO Oc1ccc(F)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001279684796 1043465721 /nfs/dbraw/zinc/46/57/21/1043465721.db2.gz UEYDSMNCUPBULJ-BETUJISGSA-N 1 2 350.825 2.757 20 10 FFCDLO Oc1ccc(F)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001279684796 1043465725 /nfs/dbraw/zinc/46/57/25/1043465725.db2.gz UEYDSMNCUPBULJ-BETUJISGSA-N 1 2 350.825 2.757 20 10 FFCDLO [O-]c1c(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)ccc(F)c1F ZINC001279697568 1043488660 /nfs/dbraw/zinc/48/86/60/1043488660.db2.gz MQWQURGJIWMKQK-LJQANCHMSA-N 1 2 362.424 2.882 20 10 FFCDLO [O-]c1c(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)ccc(F)c1F ZINC001279697568 1043488664 /nfs/dbraw/zinc/48/86/64/1043488664.db2.gz MQWQURGJIWMKQK-LJQANCHMSA-N 1 2 362.424 2.882 20 10 FFCDLO [O-]c1c(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)ccc(F)c1F ZINC001279697568 1043488672 /nfs/dbraw/zinc/48/86/72/1043488672.db2.gz MQWQURGJIWMKQK-LJQANCHMSA-N 1 2 362.424 2.882 20 10 FFCDLO [O-]c1c(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)ccc(F)c1F ZINC001279697568 1043488679 /nfs/dbraw/zinc/48/86/79/1043488679.db2.gz MQWQURGJIWMKQK-LJQANCHMSA-N 1 2 362.424 2.882 20 10 FFCDLO COc1ccc(N2C[C@@H]3OCC[N@H+](Cc4scnc4C)[C@H]3C2)c(C)c1 ZINC001279769453 1043614130 /nfs/dbraw/zinc/61/41/30/1043614130.db2.gz WVPRLSAAAZFOFO-ROUUACIJSA-N 1 2 359.495 2.858 20 10 FFCDLO COc1ccc(N2C[C@@H]3OCC[N@@H+](Cc4scnc4C)[C@H]3C2)c(C)c1 ZINC001279769453 1043614137 /nfs/dbraw/zinc/61/41/37/1043614137.db2.gz WVPRLSAAAZFOFO-ROUUACIJSA-N 1 2 359.495 2.858 20 10 FFCDLO CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccccc1O ZINC001339808786 1050229081 /nfs/dbraw/zinc/22/90/81/1050229081.db2.gz AEWCGQCHBLIIPL-WMZOPIPTSA-N 1 2 371.485 2.566 20 10 FFCDLO CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccccc1O ZINC001339808786 1050229091 /nfs/dbraw/zinc/22/90/91/1050229091.db2.gz AEWCGQCHBLIIPL-WMZOPIPTSA-N 1 2 371.485 2.566 20 10 FFCDLO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC001308765562 1052496850 /nfs/dbraw/zinc/49/68/50/1052496850.db2.gz OCWMHMIODOIRNY-CPCISQLKSA-N 1 2 365.065 2.872 20 10 FFCDLO C[C@H]1[C@@H](O)CC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC001308765562 1052496854 /nfs/dbraw/zinc/49/68/54/1052496854.db2.gz OCWMHMIODOIRNY-CPCISQLKSA-N 1 2 365.065 2.872 20 10 FFCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000847363316 1055603310 /nfs/dbraw/zinc/60/33/10/1055603310.db2.gz XQNWHOOJTLBNAL-KFWWJZLASA-N 1 2 374.460 2.657 20 10 FFCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000847363316 1055603317 /nfs/dbraw/zinc/60/33/17/1055603317.db2.gz XQNWHOOJTLBNAL-KFWWJZLASA-N 1 2 374.460 2.657 20 10 FFCDLO NC(=O)c1cccc(CC[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC001473989767 1065434418 /nfs/dbraw/zinc/43/44/18/1065434418.db2.gz IFWZQHCQQMWOBI-UHFFFAOYSA-N 1 2 367.218 2.725 20 10 FFCDLO Cc1cc(O)c(C[N@@H+]2CCNN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001579638284 1078652585 /nfs/dbraw/zinc/65/25/85/1078652585.db2.gz USKQGFSVFNXBGF-UHFFFAOYSA-N 1 2 355.866 2.911 20 10 FFCDLO Cc1cc(O)c(C[N@H+]2CCNN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001579638284 1078652586 /nfs/dbraw/zinc/65/25/86/1078652586.db2.gz USKQGFSVFNXBGF-UHFFFAOYSA-N 1 2 355.866 2.911 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)cc1F ZINC000084866682 508295133 /nfs/dbraw/zinc/29/51/33/508295133.db2.gz WQYKEHVCBABFRH-UHFFFAOYSA-N 1 2 358.373 2.800 20 10 FFCDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccc(N2CCCC2)cc1 ZINC000077839998 508383486 /nfs/dbraw/zinc/38/34/86/508383486.db2.gz OUCULKQVNDQHDJ-UHFFFAOYSA-N 1 2 367.497 2.862 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CCCNC3=O)CC2)c1O ZINC000135447909 508606159 /nfs/dbraw/zinc/60/61/59/508606159.db2.gz DIUVSKDSXQQHGQ-UHFFFAOYSA-N 1 2 365.861 2.628 20 10 FFCDLO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185971195 509457623 /nfs/dbraw/zinc/45/76/23/509457623.db2.gz UTEXXHDQJPYGBA-VIFPVBQESA-N 1 2 355.287 2.677 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000245720440 510105147 /nfs/dbraw/zinc/10/51/47/510105147.db2.gz DGUSYHMOSKYJFK-UKRRQHHQSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000245720440 510105154 /nfs/dbraw/zinc/10/51/54/510105154.db2.gz DGUSYHMOSKYJFK-UKRRQHHQSA-N 1 2 372.259 2.543 20 10 FFCDLO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000181015220 510238946 /nfs/dbraw/zinc/23/89/46/510238946.db2.gz XOOOVSZJLSHDMD-UHFFFAOYSA-N 1 2 360.907 2.585 20 10 FFCDLO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000187671302 510379365 /nfs/dbraw/zinc/37/93/65/510379365.db2.gz RWCLMBIATPYBMA-NSHDSACASA-N 1 2 350.365 2.646 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3cc(C)on3)CC2)c1O ZINC000184675376 510454500 /nfs/dbraw/zinc/45/45/00/510454500.db2.gz KMPRNQRXDJSRRW-UHFFFAOYSA-N 1 2 351.834 2.668 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCN(c3nc(C)ns3)CC2)c1O ZINC000184698848 510469583 /nfs/dbraw/zinc/46/95/83/510469583.db2.gz WLACTBJNYOKVPB-UHFFFAOYSA-N 1 2 354.863 2.536 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(O)c2O)C[C@H](C)O1 ZINC000188212128 510651331 /nfs/dbraw/zinc/65/13/31/510651331.db2.gz WIEYTHIKHOTYJC-OKILXGFUSA-N 1 2 356.422 2.959 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(O)c2O)C[C@H](C)O1 ZINC000188212128 510651341 /nfs/dbraw/zinc/65/13/41/510651341.db2.gz WIEYTHIKHOTYJC-OKILXGFUSA-N 1 2 356.422 2.959 20 10 FFCDLO CC[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1O ZINC000287308432 511047228 /nfs/dbraw/zinc/04/72/28/511047228.db2.gz CVWAHQIHHLHERP-HNNXBMFYSA-N 1 2 360.907 2.758 20 10 FFCDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000271080817 511076811 /nfs/dbraw/zinc/07/68/11/511076811.db2.gz ZUFGKDHDDLHTTO-SJLPKXTDSA-N 1 2 361.392 2.915 20 10 FFCDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000271080817 511076816 /nfs/dbraw/zinc/07/68/16/511076816.db2.gz ZUFGKDHDDLHTTO-SJLPKXTDSA-N 1 2 361.392 2.915 20 10 FFCDLO COc1ccc(O)c([C@@H](C)Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)c1 ZINC000291272480 511164264 /nfs/dbraw/zinc/16/42/64/511164264.db2.gz UBWZVDMWCDIMDI-CQSZACIVSA-N 1 2 355.438 2.506 20 10 FFCDLO COc1ccc(O)c([C@@H](C)Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)c1 ZINC000291272480 511164270 /nfs/dbraw/zinc/16/42/70/511164270.db2.gz UBWZVDMWCDIMDI-CQSZACIVSA-N 1 2 355.438 2.506 20 10 FFCDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000294827788 511190686 /nfs/dbraw/zinc/19/06/86/511190686.db2.gz NDOJUJWMDGGEER-IBGZPJMESA-N 1 2 373.522 2.721 20 10 FFCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000294827788 511190689 /nfs/dbraw/zinc/19/06/89/511190689.db2.gz NDOJUJWMDGGEER-IBGZPJMESA-N 1 2 373.522 2.721 20 10 FFCDLO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273432644 511526067 /nfs/dbraw/zinc/52/60/67/511526067.db2.gz WDXNGVLBXDVOLR-CYBMUJFWSA-N 1 2 373.409 2.618 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000273536062 511531170 /nfs/dbraw/zinc/53/11/70/511531170.db2.gz XKJKFECOKREHBI-ZUZCIYMTSA-N 1 2 351.349 2.841 20 10 FFCDLO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000273570667 511537945 /nfs/dbraw/zinc/53/79/45/511537945.db2.gz KQJSBWCDWBCGAU-CXAGYDPISA-N 1 2 357.410 2.651 20 10 FFCDLO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000296415512 511733502 /nfs/dbraw/zinc/73/35/02/511733502.db2.gz LBIXMOFELRKJOT-RKDXNWHRSA-N 1 2 355.287 2.677 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCCC(C)C)CC2)cc1F ZINC000084866918 728426585 /nfs/dbraw/zinc/42/65/85/728426585.db2.gz NRPHTCRWVPLRCN-HNNXBMFYSA-N 1 2 351.466 2.507 20 10 FFCDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000093392559 728475938 /nfs/dbraw/zinc/47/59/38/728475938.db2.gz SXEKMPBYKSMITF-SNVBAGLBSA-N 1 2 362.289 2.552 20 10 FFCDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000093392559 728475939 /nfs/dbraw/zinc/47/59/39/728475939.db2.gz SXEKMPBYKSMITF-SNVBAGLBSA-N 1 2 362.289 2.552 20 10 FFCDLO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000858580306 730429166 /nfs/dbraw/zinc/42/91/66/730429166.db2.gz MXTUIJPPHIIIJT-YUMQZZPRSA-N 1 2 365.655 2.867 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CCOCC3)CC2)c1O ZINC000859355448 730451696 /nfs/dbraw/zinc/45/16/96/730451696.db2.gz SXAYNUMVMULQFI-UHFFFAOYSA-N 1 2 352.862 2.545 20 10 FFCDLO COCC[N@@H+](Cc1c(O)cccc1Br)C[C@@H](O)C(F)(F)F ZINC000862402969 730697624 /nfs/dbraw/zinc/69/76/24/730697624.db2.gz UKJATRRGQWHBJP-GFCCVEGCSA-N 1 2 372.181 2.526 20 10 FFCDLO COCC[N@H+](Cc1c(O)cccc1Br)C[C@@H](O)C(F)(F)F ZINC000862402969 730697625 /nfs/dbraw/zinc/69/76/25/730697625.db2.gz UKJATRRGQWHBJP-GFCCVEGCSA-N 1 2 372.181 2.526 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000781909971 738671637 /nfs/dbraw/zinc/67/16/37/738671637.db2.gz SCHSHXWBGMEWCM-UHFFFAOYSA-N 1 2 356.260 2.845 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000781909971 738671639 /nfs/dbraw/zinc/67/16/39/738671639.db2.gz SCHSHXWBGMEWCM-UHFFFAOYSA-N 1 2 356.260 2.845 20 10 FFCDLO CC(C)[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1nncn1C ZINC000883116847 733337130 /nfs/dbraw/zinc/33/71/30/733337130.db2.gz HUNOXFBZVUTYCI-LBPRGKRZSA-N 1 2 357.227 2.909 20 10 FFCDLO CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1O)[C@@]1(O)CCOC1 ZINC000883152800 733343246 /nfs/dbraw/zinc/34/32/46/733343246.db2.gz HQPHVHDMMYAHTJ-OAHLLOKOSA-N 1 2 362.239 2.561 20 10 FFCDLO COCC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708124973 734362584 /nfs/dbraw/zinc/36/25/84/734362584.db2.gz KGFHCTKOIYIBCV-ZDUSSCGKSA-N 1 2 352.656 2.685 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000783696480 738827481 /nfs/dbraw/zinc/82/74/81/738827481.db2.gz HVIREJNGFSBBQF-UHFFFAOYSA-N 1 2 367.287 2.907 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000783696480 738827486 /nfs/dbraw/zinc/82/74/86/738827486.db2.gz HVIREJNGFSBBQF-UHFFFAOYSA-N 1 2 367.287 2.907 20 10 FFCDLO COC(=O)c1cnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000894209114 734818549 /nfs/dbraw/zinc/81/85/49/734818549.db2.gz NQHBFFOMNMTBPD-CYBMUJFWSA-N 1 2 361.467 2.617 20 10 FFCDLO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894991777 734949203 /nfs/dbraw/zinc/94/92/03/734949203.db2.gz GBEYDWFNXJIHPX-SECBINFHSA-N 1 2 361.667 2.718 20 10 FFCDLO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894991777 734949208 /nfs/dbraw/zinc/94/92/08/734949208.db2.gz GBEYDWFNXJIHPX-SECBINFHSA-N 1 2 361.667 2.718 20 10 FFCDLO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895334610 734992273 /nfs/dbraw/zinc/99/22/73/734992273.db2.gz JWLWVMREICPQNZ-NSHDSACASA-N 1 2 371.250 2.738 20 10 FFCDLO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895334610 734992276 /nfs/dbraw/zinc/99/22/76/734992276.db2.gz JWLWVMREICPQNZ-NSHDSACASA-N 1 2 371.250 2.738 20 10 FFCDLO Cc1cn(C(C)(C)C(=O)NCc2cc(Br)ccc2O)c[nH+]1 ZINC000897748548 735272972 /nfs/dbraw/zinc/27/29/72/735272972.db2.gz WLAJTYMEIHUJCM-UHFFFAOYSA-N 1 2 352.232 2.711 20 10 FFCDLO C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(F)cc(F)c1O ZINC000756386761 736326959 /nfs/dbraw/zinc/32/69/59/736326959.db2.gz ZMDPQUVMOZVSSF-JTQLQIEISA-N 1 2 356.394 2.893 20 10 FFCDLO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756759558 736359696 /nfs/dbraw/zinc/35/96/96/736359696.db2.gz KXNNCXROXNVREQ-NXEZZACHSA-N 1 2 374.254 2.748 20 10 FFCDLO COc1c(O)c(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000775113240 738063027 /nfs/dbraw/zinc/06/30/27/738063027.db2.gz VCVDOIYUAIFGEX-VIFPVBQESA-N 1 2 350.375 2.840 20 10 FFCDLO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775701671 738114960 /nfs/dbraw/zinc/11/49/60/738114960.db2.gz VIOXZBTZCMDHJD-INIZCTEOSA-N 1 2 353.825 2.864 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1noc2c1COCC2 ZINC000923017583 738230941 /nfs/dbraw/zinc/23/09/41/738230941.db2.gz GZNABEOMDOJYRG-UHFFFAOYSA-N 1 2 357.179 2.644 20 10 FFCDLO C[NH+](C)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1Cl ZINC000789944285 739398681 /nfs/dbraw/zinc/39/86/81/739398681.db2.gz PXLIIFKYXUYCHB-CYBMUJFWSA-N 1 2 352.793 2.923 20 10 FFCDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(Br)c1O)C[C@@H](C)O2 ZINC000790930634 739515108 /nfs/dbraw/zinc/51/51/08/739515108.db2.gz BETHSBFCZJFEBG-XHBSWPGZSA-N 1 2 356.260 2.923 20 10 FFCDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Br)c1O)C[C@@H](C)O2 ZINC000790930634 739515111 /nfs/dbraw/zinc/51/51/11/739515111.db2.gz BETHSBFCZJFEBG-XHBSWPGZSA-N 1 2 356.260 2.923 20 10 FFCDLO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Br)cc(F)c1O ZINC000794828234 739933920 /nfs/dbraw/zinc/93/39/20/739933920.db2.gz MEQDYMGYVBWFEK-QMMMGPOBSA-N 1 2 366.252 2.522 20 10 FFCDLO O=S(=O)(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccoc1 ZINC000795851125 740071273 /nfs/dbraw/zinc/07/12/73/740071273.db2.gz ASPCVORWTHKHDR-CQSZACIVSA-N 1 2 370.858 2.582 20 10 FFCDLO O=S(=O)(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccoc1 ZINC000795851125 740071277 /nfs/dbraw/zinc/07/12/77/740071277.db2.gz ASPCVORWTHKHDR-CQSZACIVSA-N 1 2 370.858 2.582 20 10 FFCDLO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)c(F)cc1O ZINC000815640524 741949734 /nfs/dbraw/zinc/94/97/34/741949734.db2.gz ZVNRNAJCZGZRGO-SECBINFHSA-N 1 2 357.227 2.706 20 10 FFCDLO CN(C)C(=O)OC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000816655081 742051209 /nfs/dbraw/zinc/05/12/09/742051209.db2.gz OXBLHYHHEVCZMB-UHFFFAOYSA-N 1 2 357.248 2.817 20 10 FFCDLO C[NH2+]CC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817952086 742223775 /nfs/dbraw/zinc/22/37/75/742223775.db2.gz MXAFRDZVTHNREU-ZETCQYMHSA-N 1 2 352.070 2.787 20 10 FFCDLO COC[C@@]1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CCC[NH2+]1 ZINC000817974448 742225842 /nfs/dbraw/zinc/22/58/42/742225842.db2.gz MBACCRXFLANAKX-BONVTDFDSA-N 1 2 361.255 2.713 20 10 FFCDLO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000818351604 742266045 /nfs/dbraw/zinc/26/60/45/742266045.db2.gz VEWGMXBYYRDDIG-SECBINFHSA-N 1 2 368.268 2.769 20 10 FFCDLO O=C(N1C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@H]2C1)C(F)(F)F ZINC000824829756 743158389 /nfs/dbraw/zinc/15/83/89/743158389.db2.gz QYBZNGHIDHHIIL-JQWIXIFHSA-N 1 2 362.779 2.888 20 10 FFCDLO O=C(N1C[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C[C@H]2C1)C(F)(F)F ZINC000824829756 743158394 /nfs/dbraw/zinc/15/83/94/743158394.db2.gz QYBZNGHIDHHIIL-JQWIXIFHSA-N 1 2 362.779 2.888 20 10 FFCDLO Cc1nsc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)n1 ZINC000824864034 743167284 /nfs/dbraw/zinc/16/72/84/743167284.db2.gz ZKQPKZXIDVOEGS-UHFFFAOYSA-N 1 2 369.288 2.637 20 10 FFCDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000824933930 743180952 /nfs/dbraw/zinc/18/09/52/743180952.db2.gz LFNGTXWJRSADJW-LBPRGKRZSA-N 1 2 351.248 2.961 20 10 FFCDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000824933930 743180958 /nfs/dbraw/zinc/18/09/58/743180958.db2.gz LFNGTXWJRSADJW-LBPRGKRZSA-N 1 2 351.248 2.961 20 10 FFCDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)n[nH]1 ZINC000824933930 743180962 /nfs/dbraw/zinc/18/09/62/743180962.db2.gz LFNGTXWJRSADJW-LBPRGKRZSA-N 1 2 351.248 2.961 20 10 FFCDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)n[nH]1 ZINC000824933930 743180967 /nfs/dbraw/zinc/18/09/67/743180967.db2.gz LFNGTXWJRSADJW-LBPRGKRZSA-N 1 2 351.248 2.961 20 10 FFCDLO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000825045613 743200181 /nfs/dbraw/zinc/20/01/81/743200181.db2.gz IBJNMEQJLWDUKA-WFASDCNBSA-N 1 2 366.259 2.898 20 10 FFCDLO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c(O)c1 ZINC000827849922 744989902 /nfs/dbraw/zinc/98/99/02/744989902.db2.gz JCZZTZSYCCVNBL-RISCZKNCSA-N 1 2 360.376 2.680 20 10 FFCDLO CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c(O)c1 ZINC000827849922 744989905 /nfs/dbraw/zinc/98/99/05/744989905.db2.gz JCZZTZSYCCVNBL-RISCZKNCSA-N 1 2 360.376 2.680 20 10 FFCDLO COC1CCN(c2ccc(C[NH+]3C[C@H](C)S(=O)[C@@H](C)C3)cc2)CC1 ZINC000829171542 745175462 /nfs/dbraw/zinc/17/54/62/745175462.db2.gz WAFQECPMZMMWGO-HOTGVXAUSA-N 1 2 350.528 2.643 20 10 FFCDLO COCc1cnc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000839146622 746788193 /nfs/dbraw/zinc/78/81/93/746788193.db2.gz OPRLCXGHSHZIDX-UHFFFAOYSA-N 1 2 369.437 2.694 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1O ZINC000839579146 746860780 /nfs/dbraw/zinc/86/07/80/746860780.db2.gz SYVRVSGIUNAGGX-KRWDZBQOSA-N 1 2 363.845 2.917 20 10 FFCDLO CO[C@H](C)C(=[NH2+])NOC=C(O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000842035643 747505958 /nfs/dbraw/zinc/50/59/58/747505958.db2.gz DSIHQNOWZYGDCD-GFCCVEGCSA-N 1 2 364.833 2.859 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc(CC(F)(F)F)no2)cc1 ZINC000844401373 748022066 /nfs/dbraw/zinc/02/20/66/748022066.db2.gz MRCLXQZMJAMYLS-UHFFFAOYSA-N 1 2 358.364 2.751 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(CC(F)(F)F)no2)cc1 ZINC000844401373 748022068 /nfs/dbraw/zinc/02/20/68/748022068.db2.gz MRCLXQZMJAMYLS-UHFFFAOYSA-N 1 2 358.364 2.751 20 10 FFCDLO CCOc1ccc(O)c(C[NH2+][C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c1 ZINC000846110685 748409050 /nfs/dbraw/zinc/40/90/50/748409050.db2.gz YYDRUPKGZVVXEZ-YEWWUXTCSA-N 1 2 351.443 2.627 20 10 FFCDLO CCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000846207533 748430591 /nfs/dbraw/zinc/43/05/91/748430591.db2.gz CSLJUXKDHMNSKN-NXEZZACHSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cc(Br)ccc1O ZINC000848556861 748960052 /nfs/dbraw/zinc/96/00/52/748960052.db2.gz FICKLCKDIVLPEB-RNCFNFMXSA-N 1 2 367.247 2.975 20 10 FFCDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(F)c(F)cc1O ZINC001279108756 964069828 /nfs/dbraw/zinc/06/98/28/964069828.db2.gz WNKBTHMKAJPBSG-BETUJISGSA-N 1 2 351.422 2.894 20 10 FFCDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(F)c(F)cc1O ZINC001279108756 964069841 /nfs/dbraw/zinc/06/98/41/964069841.db2.gz WNKBTHMKAJPBSG-BETUJISGSA-N 1 2 351.422 2.894 20 10 FFCDLO COC(=O)c1c(C[N@@H+]2CCCc3n[nH]cc3C2)c2cc(F)ccc2n1C ZINC000895365227 970493722 /nfs/dbraw/zinc/49/37/22/970493722.db2.gz YFADVTDXEXHZAU-UHFFFAOYSA-N 1 2 356.401 2.776 20 10 FFCDLO COC(=O)c1c(C[N@H+]2CCCc3n[nH]cc3C2)c2cc(F)ccc2n1C ZINC000895365227 970493729 /nfs/dbraw/zinc/49/37/29/970493729.db2.gz YFADVTDXEXHZAU-UHFFFAOYSA-N 1 2 356.401 2.776 20 10 FFCDLO C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000876511885 1014288432 /nfs/dbraw/zinc/28/84/32/1014288432.db2.gz VZUHXJSIUWXLDF-IBGZPJMESA-N 1 2 369.513 2.937 20 10 FFCDLO C[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000876511885 1014288437 /nfs/dbraw/zinc/28/84/37/1014288437.db2.gz VZUHXJSIUWXLDF-IBGZPJMESA-N 1 2 369.513 2.937 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cn(C[C@H]3CCCO3)nn2)cc1 ZINC000876550668 1014299817 /nfs/dbraw/zinc/29/98/17/1014299817.db2.gz AOSSUGIJDXPGFD-HXUWFJFHSA-N 1 2 357.502 2.935 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn(C[C@H]3CCCO3)nn2)cc1 ZINC000876550668 1014299825 /nfs/dbraw/zinc/29/98/25/1014299825.db2.gz AOSSUGIJDXPGFD-HXUWFJFHSA-N 1 2 357.502 2.935 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000729384914 978269078 /nfs/dbraw/zinc/26/90/78/978269078.db2.gz GTDCEILLUBPCAA-OAHLLOKOSA-N 1 2 359.445 2.684 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000729384914 978269079 /nfs/dbraw/zinc/26/90/79/978269079.db2.gz GTDCEILLUBPCAA-OAHLLOKOSA-N 1 2 359.445 2.684 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877519121 1014609472 /nfs/dbraw/zinc/60/94/72/1014609472.db2.gz IDZIUKMQKJLOIS-UONOGXRCSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877519121 1014609481 /nfs/dbraw/zinc/60/94/81/1014609481.db2.gz IDZIUKMQKJLOIS-UONOGXRCSA-N 1 2 370.396 2.540 20 10 FFCDLO NC(=O)N=Nc1ccc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000910776852 982058141 /nfs/dbraw/zinc/05/81/41/982058141.db2.gz GWPPVXUBDUBLQD-UHFFFAOYSA-N 1 2 363.421 2.950 20 10 FFCDLO NC(=O)N=Nc1ccc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000910776852 982058150 /nfs/dbraw/zinc/05/81/50/982058150.db2.gz GWPPVXUBDUBLQD-UHFFFAOYSA-N 1 2 363.421 2.950 20 10 FFCDLO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000841869736 982265352 /nfs/dbraw/zinc/26/53/52/982265352.db2.gz PTSSVJUZROFIPM-MOPGFXCFSA-N 1 2 374.435 2.834 20 10 FFCDLO C[N@H+]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000841869736 982265359 /nfs/dbraw/zinc/26/53/59/982265359.db2.gz PTSSVJUZROFIPM-MOPGFXCFSA-N 1 2 374.435 2.834 20 10 FFCDLO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180033610 991410667 /nfs/dbraw/zinc/41/06/67/991410667.db2.gz VNCZISSEMMCYJE-UHFFFAOYSA-N 1 2 353.397 2.971 20 10 FFCDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442756 1000248594 /nfs/dbraw/zinc/24/85/94/1000248594.db2.gz NSHBIBKHQNLMPZ-IBGZPJMESA-N 1 2 351.406 2.636 20 10 FFCDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442756 1000248598 /nfs/dbraw/zinc/24/85/98/1000248598.db2.gz NSHBIBKHQNLMPZ-IBGZPJMESA-N 1 2 351.406 2.636 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc4ccc(C)cn34)CC2)c(OC)c1 ZINC001137312106 1016430669 /nfs/dbraw/zinc/43/06/69/1016430669.db2.gz HCFKZNZTDAELRI-UHFFFAOYSA-N 1 2 366.465 2.982 20 10 FFCDLO COc1ccc(N2CCN(Cc3c[nH+]c4ccc(C)cn34)CC2)c(OC)c1 ZINC001137312106 1016430679 /nfs/dbraw/zinc/43/06/79/1016430679.db2.gz HCFKZNZTDAELRI-UHFFFAOYSA-N 1 2 366.465 2.982 20 10 FFCDLO O=C(C[N@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787996604 1001741709 /nfs/dbraw/zinc/74/17/09/1001741709.db2.gz MHTFAVZLKJBQTR-HNAYVOBHSA-N 1 2 368.437 2.716 20 10 FFCDLO O=C(C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787996604 1001741712 /nfs/dbraw/zinc/74/17/12/1001741712.db2.gz MHTFAVZLKJBQTR-HNAYVOBHSA-N 1 2 368.437 2.716 20 10 FFCDLO CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000789975437 1002243807 /nfs/dbraw/zinc/24/38/07/1002243807.db2.gz BFULKAPGQDQMFJ-UHFFFAOYSA-N 1 2 358.413 2.974 20 10 FFCDLO CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000789975437 1002243814 /nfs/dbraw/zinc/24/38/14/1002243814.db2.gz BFULKAPGQDQMFJ-UHFFFAOYSA-N 1 2 358.413 2.974 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccnn3CC(C)C)CC2)c(OC)c1 ZINC001183419061 1002267893 /nfs/dbraw/zinc/26/78/93/1002267893.db2.gz HGWMUDCXDZAHTR-UHFFFAOYSA-N 1 2 358.486 2.879 20 10 FFCDLO C[N@H+](CC(=O)OCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000108491924 1005679214 /nfs/dbraw/zinc/67/92/14/1005679214.db2.gz DUJYZPTZARNFTK-UHFFFAOYSA-N 1 2 354.450 2.698 20 10 FFCDLO C[N@@H+](CC(=O)OCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000108491924 1005679215 /nfs/dbraw/zinc/67/92/15/1005679215.db2.gz DUJYZPTZARNFTK-UHFFFAOYSA-N 1 2 354.450 2.698 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+](C)[C@H]3CCOC3)c2C)cc1 ZINC000131553660 1006754114 /nfs/dbraw/zinc/75/41/14/1006754114.db2.gz IOWCSGKIVWBJCZ-SFHVURJKSA-N 1 2 370.449 2.784 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+](C)[C@H]3CCOC3)c2C)cc1 ZINC000131553660 1006754128 /nfs/dbraw/zinc/75/41/28/1006754128.db2.gz IOWCSGKIVWBJCZ-SFHVURJKSA-N 1 2 370.449 2.784 20 10 FFCDLO CC[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Cl)c1O ZINC000858490580 1008368413 /nfs/dbraw/zinc/36/84/13/1008368413.db2.gz ZOTJJFTYTKLOOQ-DOMZBBRYSA-N 1 2 372.860 2.803 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000859056480 1008469933 /nfs/dbraw/zinc/46/99/33/1008469933.db2.gz WVLNJEFBFLHPJB-FQEVSTJZSA-N 1 2 357.498 2.751 20 10 FFCDLO COc1ccc(N2CC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC000823199039 1008960923 /nfs/dbraw/zinc/96/09/23/1008960923.db2.gz XSJBOCIAPDSKDK-AWEZNQCLSA-N 1 2 350.422 2.828 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1F ZINC000120862142 1010908717 /nfs/dbraw/zinc/90/87/17/1010908717.db2.gz SQFRQYJLISDZBL-UHFFFAOYSA-N 1 2 367.419 2.801 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc(F)cc(F)c1O ZINC000866492111 1011003395 /nfs/dbraw/zinc/00/33/95/1011003395.db2.gz DLLYDBIYKYWPER-COLVAYQJSA-N 1 2 372.412 2.691 20 10 FFCDLO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1O ZINC000867977187 1011136893 /nfs/dbraw/zinc/13/68/93/1011136893.db2.gz ATHGFMMZTGIJKR-MRXNPFEDSA-N 1 2 369.465 2.785 20 10 FFCDLO Cc1cc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)cc(C)n1 ZINC001217055909 1032598823 /nfs/dbraw/zinc/59/88/23/1032598823.db2.gz CEUIKLPSZJZEHJ-UHFFFAOYSA-N 1 2 366.421 2.953 20 10 FFCDLO COc1ccc(N2CCC[N@H+](CC(=O)Nc3ccccc3F)CC2)cc1 ZINC000097476983 1012805666 /nfs/dbraw/zinc/80/56/66/1012805666.db2.gz QSGKGLFOXSEQMZ-UHFFFAOYSA-N 1 2 357.429 2.985 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3ccccc3F)CC2)cc1 ZINC000097476983 1012805688 /nfs/dbraw/zinc/80/56/88/1012805688.db2.gz QSGKGLFOXSEQMZ-UHFFFAOYSA-N 1 2 357.429 2.985 20 10 FFCDLO CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000828427741 1032699132 /nfs/dbraw/zinc/69/91/32/1032699132.db2.gz DIDJRKUJZMZTEO-HNNXBMFYSA-N 1 2 358.413 2.974 20 10 FFCDLO Oc1cc2c(cc1C[N@@H+]1CCc3c(ncn3-c3ccccc3)C1)[C@H](O)CO2 ZINC000777958929 1020333787 /nfs/dbraw/zinc/33/37/87/1020333787.db2.gz UKAZBRLLIIMBSN-HXUWFJFHSA-N 1 2 363.417 2.562 20 10 FFCDLO Oc1cc2c(cc1C[N@H+]1CCc3c(ncn3-c3ccccc3)C1)[C@H](O)CO2 ZINC000777958929 1020333792 /nfs/dbraw/zinc/33/37/92/1020333792.db2.gz UKAZBRLLIIMBSN-HXUWFJFHSA-N 1 2 363.417 2.562 20 10 FFCDLO CCCn1cc([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)nn1 ZINC000903017457 1020629210 /nfs/dbraw/zinc/62/92/10/1020629210.db2.gz TWSKZEMFPLCPAZ-ZDUSSCGKSA-N 1 2 365.428 2.654 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC001116417230 1021206373 /nfs/dbraw/zinc/20/63/73/1021206373.db2.gz FCFALJXNADRAIA-ROUUACIJSA-N 1 2 359.514 2.712 20 10 FFCDLO COc1ccc(N2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000042910783 1022200339 /nfs/dbraw/zinc/20/03/39/1022200339.db2.gz PCBJCWXRJUTYQA-UHFFFAOYSA-N 1 2 367.409 2.733 20 10 FFCDLO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000779203768 1023353080 /nfs/dbraw/zinc/35/30/80/1023353080.db2.gz JUEXSYZZFLAIGG-KDOFPFPSSA-N 1 2 360.458 2.671 20 10 FFCDLO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000779203768 1023353085 /nfs/dbraw/zinc/35/30/85/1023353085.db2.gz JUEXSYZZFLAIGG-KDOFPFPSSA-N 1 2 360.458 2.671 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1F ZINC000753857729 1023390527 /nfs/dbraw/zinc/39/05/27/1023390527.db2.gz PQJCAVDRGNGXBI-IBGZPJMESA-N 1 2 369.440 2.762 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000756571385 1023729564 /nfs/dbraw/zinc/72/95/64/1023729564.db2.gz ZEENJMYZHOHTHR-DGCLKSJQSA-N 1 2 361.392 2.699 20 10 FFCDLO O=C1[C@@H]2CCC[N@H+](Cc3c(O)cccc3F)[C@H]2C(=O)N1Cc1ccccc1 ZINC001137838825 1033181465 /nfs/dbraw/zinc/18/14/65/1033181465.db2.gz LFFXEKKPQQNLCU-DNVCBOLYSA-N 1 2 368.408 2.681 20 10 FFCDLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000193382286 1024496664 /nfs/dbraw/zinc/49/66/64/1024496664.db2.gz WIKNIMHDZARDPC-CQSZACIVSA-N 1 2 364.396 2.729 20 10 FFCDLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000193382286 1024496672 /nfs/dbraw/zinc/49/66/72/1024496672.db2.gz WIKNIMHDZARDPC-CQSZACIVSA-N 1 2 364.396 2.729 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)NCCc3cn(C)c[nH+]3)cc2)CC1 ZINC000838376739 1026334790 /nfs/dbraw/zinc/33/47/90/1026334790.db2.gz PAJVLQNBRQPCTD-UHFFFAOYSA-N 1 2 355.486 2.698 20 10 FFCDLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)[nH+]1 ZINC000839515796 1026710960 /nfs/dbraw/zinc/71/09/60/1026710960.db2.gz CHFDJAOWFHZTCT-AWEZNQCLSA-N 1 2 354.454 2.889 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840264726 1027025943 /nfs/dbraw/zinc/02/59/43/1027025943.db2.gz YAICWAMWIIGAIX-WBVHZDCISA-N 1 2 355.486 2.670 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840264726 1027025946 /nfs/dbraw/zinc/02/59/46/1027025946.db2.gz YAICWAMWIIGAIX-WBVHZDCISA-N 1 2 355.486 2.670 20 10 FFCDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093413309 1027713832 /nfs/dbraw/zinc/71/38/32/1027713832.db2.gz ZTVAMNVIMQEFOQ-IBGZPJMESA-N 1 2 366.509 2.797 20 10 FFCDLO CCOc1cccc(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c1O ZINC000780588056 1028740769 /nfs/dbraw/zinc/74/07/69/1028740769.db2.gz CCTUXDJTIQLEHZ-UHFFFAOYSA-N 1 2 356.401 2.860 20 10 FFCDLO COC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000784667415 1030743950 /nfs/dbraw/zinc/74/39/50/1030743950.db2.gz IDLGPNJNXUVCAW-DOTOQJQBSA-N 1 2 363.458 2.821 20 10 FFCDLO COC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000784667415 1030743964 /nfs/dbraw/zinc/74/39/64/1030743964.db2.gz IDLGPNJNXUVCAW-DOTOQJQBSA-N 1 2 363.458 2.821 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(CC3CC3)c21 ZINC001203931967 1030989514 /nfs/dbraw/zinc/98/95/14/1030989514.db2.gz ZLUYABMCBMIBHR-SFHVURJKSA-N 1 2 369.513 2.890 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(CC3CC3)c21 ZINC001203931967 1030989521 /nfs/dbraw/zinc/98/95/21/1030989521.db2.gz ZLUYABMCBMIBHR-SFHVURJKSA-N 1 2 369.513 2.890 20 10 FFCDLO Oc1c(F)cccc1C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001138128330 1033813576 /nfs/dbraw/zinc/81/35/76/1033813576.db2.gz DBIXEZMUYVBGGE-UHFFFAOYSA-N 1 2 356.323 2.662 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)c(OC)c1 ZINC001138391925 1034227737 /nfs/dbraw/zinc/22/77/37/1034227737.db2.gz JKEFQNOSAHCSAU-IBGZPJMESA-N 1 2 358.486 2.505 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)c(OC)c1 ZINC001138391925 1034227752 /nfs/dbraw/zinc/22/77/52/1034227752.db2.gz JKEFQNOSAHCSAU-IBGZPJMESA-N 1 2 358.486 2.505 20 10 FFCDLO Cc1cc(C[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)ccc1N(C)C ZINC001139671916 1035194271 /nfs/dbraw/zinc/19/42/71/1035194271.db2.gz QSSKIVRNZBIVQE-UHFFFAOYSA-N 1 2 364.497 2.908 20 10 FFCDLO Cc1cc(C[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)ccc1N(C)C ZINC001139671916 1035194274 /nfs/dbraw/zinc/19/42/74/1035194274.db2.gz QSSKIVRNZBIVQE-UHFFFAOYSA-N 1 2 364.497 2.908 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)Cc2nnn(CC)c21 ZINC001139672541 1035194290 /nfs/dbraw/zinc/19/42/90/1035194290.db2.gz XZFIAMLHPQOUJV-QGZVFWFLSA-N 1 2 357.502 2.808 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)Cc2nnn(CC)c21 ZINC001139672541 1035194292 /nfs/dbraw/zinc/19/42/92/1035194292.db2.gz XZFIAMLHPQOUJV-QGZVFWFLSA-N 1 2 357.502 2.808 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC001140058251 1035325653 /nfs/dbraw/zinc/32/56/53/1035325653.db2.gz WITODLDZUXPKCW-OAHLLOKOSA-N 1 2 354.422 2.647 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC001140058251 1035325663 /nfs/dbraw/zinc/32/56/63/1035325663.db2.gz WITODLDZUXPKCW-OAHLLOKOSA-N 1 2 354.422 2.647 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC001140058250 1035326272 /nfs/dbraw/zinc/32/62/72/1035326272.db2.gz WITODLDZUXPKCW-HNNXBMFYSA-N 1 2 354.422 2.647 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC001140058250 1035326278 /nfs/dbraw/zinc/32/62/78/1035326278.db2.gz WITODLDZUXPKCW-HNNXBMFYSA-N 1 2 354.422 2.647 20 10 FFCDLO Cc1cnc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)nc1 ZINC001140102394 1035343104 /nfs/dbraw/zinc/34/31/04/1035343104.db2.gz PBTSLNWDJSJMPW-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO Cc1ccc(C)c(C[N@@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC001140184288 1035371982 /nfs/dbraw/zinc/37/19/82/1035371982.db2.gz QOKGSRRJCAPNHU-HNNXBMFYSA-N 1 2 350.459 2.735 20 10 FFCDLO Cc1ccc(C)c(C[N@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC001140184288 1035371986 /nfs/dbraw/zinc/37/19/86/1035371986.db2.gz QOKGSRRJCAPNHU-HNNXBMFYSA-N 1 2 350.459 2.735 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1CCO ZINC001140465838 1035485550 /nfs/dbraw/zinc/48/55/50/1035485550.db2.gz RQYHUJWROPITNU-HNNXBMFYSA-N 1 2 370.877 2.849 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1CCO ZINC001140465838 1035485552 /nfs/dbraw/zinc/48/55/52/1035485552.db2.gz RQYHUJWROPITNU-HNNXBMFYSA-N 1 2 370.877 2.849 20 10 FFCDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000835025224 1035489259 /nfs/dbraw/zinc/48/92/59/1035489259.db2.gz GNGSYQATWWZNSK-PLNGDYQASA-N 1 2 350.466 2.619 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cc(Cl)c(OC)cc2O)Cc2c1cnn2C ZINC001232268980 1035540855 /nfs/dbraw/zinc/54/08/55/1035540855.db2.gz XTRFGSXYIMRYMQ-CYBMUJFWSA-N 1 2 365.861 2.924 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cc(Cl)c(OC)cc2O)Cc2c1cnn2C ZINC001232268980 1035540865 /nfs/dbraw/zinc/54/08/65/1035540865.db2.gz XTRFGSXYIMRYMQ-CYBMUJFWSA-N 1 2 365.861 2.924 20 10 FFCDLO COC(=O)c1sc(C(=O)OC)c(OC2CC[NH+](C(C)(C)C)CC2)c1O ZINC001227623718 1035642120 /nfs/dbraw/zinc/64/21/20/1035642120.db2.gz VGUJEQKJWSECMN-UHFFFAOYSA-N 1 2 371.455 2.669 20 10 FFCDLO O=C1CCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)CN1C1COC1 ZINC001277231915 1035673541 /nfs/dbraw/zinc/67/35/41/1035673541.db2.gz HUZRQHKIUINILU-UHFFFAOYSA-N 1 2 364.873 2.649 20 10 FFCDLO Fc1cc(N2CCOCC2)ccc1C[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001140664178 1035818020 /nfs/dbraw/zinc/81/80/20/1035818020.db2.gz ATDIYSHHIIDHRZ-UHFFFAOYSA-N 1 2 358.429 2.989 20 10 FFCDLO Cc1noc([C@@H]2CC[N@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233029653 1036267703 /nfs/dbraw/zinc/26/77/03/1036267703.db2.gz GQJVWMJGWJQIMJ-SECBINFHSA-N 1 2 356.195 2.975 20 10 FFCDLO Cc1noc([C@@H]2CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233029653 1036267720 /nfs/dbraw/zinc/26/77/20/1036267720.db2.gz GQJVWMJGWJQIMJ-SECBINFHSA-N 1 2 356.195 2.975 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC001233110703 1036354558 /nfs/dbraw/zinc/35/45/58/1036354558.db2.gz IITKHYUYCRQJNU-SWHYSGLUSA-N 1 2 354.244 2.989 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(Br)cc(C)c1O ZINC001233110703 1036354572 /nfs/dbraw/zinc/35/45/72/1036354572.db2.gz IITKHYUYCRQJNU-SWHYSGLUSA-N 1 2 354.244 2.989 20 10 FFCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140924490 1036463334 /nfs/dbraw/zinc/46/33/34/1036463334.db2.gz PHRSPDOIRGWZGY-HNNXBMFYSA-N 1 2 352.862 2.750 20 10 FFCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140924490 1036463337 /nfs/dbraw/zinc/46/33/37/1036463337.db2.gz PHRSPDOIRGWZGY-HNNXBMFYSA-N 1 2 352.862 2.750 20 10 FFCDLO CCOC(=O)c1c(C[N@H+](C)[C@H](C(=O)OC)C(C)C)c2ccccc2n1C ZINC001233272989 1036480726 /nfs/dbraw/zinc/48/07/26/1036480726.db2.gz JQERLXXBKLQTTA-KRWDZBQOSA-N 1 2 360.454 2.984 20 10 FFCDLO CCOC(=O)c1c(C[N@@H+](C)[C@H](C(=O)OC)C(C)C)c2ccccc2n1C ZINC001233272989 1036480736 /nfs/dbraw/zinc/48/07/36/1036480736.db2.gz JQERLXXBKLQTTA-KRWDZBQOSA-N 1 2 360.454 2.984 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCN(CC(=O)OC(C)(C)C)CC2)c1O ZINC001233289803 1036494858 /nfs/dbraw/zinc/49/48/58/1036494858.db2.gz PMUGYZUOKYEENT-UHFFFAOYSA-N 1 2 370.877 2.514 20 10 FFCDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233334659 1036541952 /nfs/dbraw/zinc/54/19/52/1036541952.db2.gz PCNFEWUHZMZWHP-UHFFFAOYSA-N 1 2 365.428 2.508 20 10 FFCDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233334659 1036541964 /nfs/dbraw/zinc/54/19/64/1036541964.db2.gz PCNFEWUHZMZWHP-UHFFFAOYSA-N 1 2 365.428 2.508 20 10 FFCDLO COc1cnc(OC2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)nc1 ZINC001233336533 1036544027 /nfs/dbraw/zinc/54/40/27/1036544027.db2.gz OYHXKKWFDQQHLS-UHFFFAOYSA-N 1 2 351.353 2.512 20 10 FFCDLO Oc1c(C[N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)cccc1C(F)(F)F ZINC001233415744 1036611824 /nfs/dbraw/zinc/61/18/24/1036611824.db2.gz HIQFZOYYKYQOLZ-LBPRGKRZSA-N 1 2 359.266 2.537 20 10 FFCDLO Oc1c(C[N@H+]2CCOC[C@](O)(C(F)(F)F)C2)cccc1C(F)(F)F ZINC001233415744 1036611831 /nfs/dbraw/zinc/61/18/31/1036611831.db2.gz HIQFZOYYKYQOLZ-LBPRGKRZSA-N 1 2 359.266 2.537 20 10 FFCDLO O=C1N(CC(F)F)CC[C@@]12CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387357 1036672459 /nfs/dbraw/zinc/67/24/59/1036672459.db2.gz HQQSYQATYOQCHP-MRXNPFEDSA-N 1 2 362.779 2.874 20 10 FFCDLO O=C1N(CC(F)F)CC[C@@]12CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387357 1036672465 /nfs/dbraw/zinc/67/24/65/1036672465.db2.gz HQQSYQATYOQCHP-MRXNPFEDSA-N 1 2 362.779 2.874 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388331 1036680236 /nfs/dbraw/zinc/68/02/36/1036680236.db2.gz ULTQGTNHKSZFAJ-ZMZPIMSZSA-N 1 2 368.836 2.587 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388331 1036680243 /nfs/dbraw/zinc/68/02/43/1036680243.db2.gz ULTQGTNHKSZFAJ-ZMZPIMSZSA-N 1 2 368.836 2.587 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(c3ncccc3Cl)CC2)c(OC)c1 ZINC001141029272 1036767597 /nfs/dbraw/zinc/76/75/97/1036767597.db2.gz NBBNRUJZICXGSD-UHFFFAOYSA-N 1 2 363.845 2.780 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c(O)c1Cl ZINC001277833432 1036932870 /nfs/dbraw/zinc/93/28/70/1036932870.db2.gz IQYRHIHMHNIXSV-VXGBXAGGSA-N 1 2 374.815 2.885 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c(O)c1Cl ZINC001277833432 1036932878 /nfs/dbraw/zinc/93/28/78/1036932878.db2.gz IQYRHIHMHNIXSV-VXGBXAGGSA-N 1 2 374.815 2.885 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300912 1037462491 /nfs/dbraw/zinc/46/24/91/1037462491.db2.gz AVJLJUIWBOUHOI-KOLCDFICSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300912 1037462496 /nfs/dbraw/zinc/46/24/96/1037462496.db2.gz AVJLJUIWBOUHOI-KOLCDFICSA-N 1 2 360.223 2.925 20 10 FFCDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)CCS1 ZINC001236670568 1038182824 /nfs/dbraw/zinc/18/28/24/1038182824.db2.gz MNIXBGDLKSHLPO-CYBMUJFWSA-N 1 2 374.300 2.944 20 10 FFCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)CCS1 ZINC001236670568 1038182830 /nfs/dbraw/zinc/18/28/30/1038182830.db2.gz MNIXBGDLKSHLPO-CYBMUJFWSA-N 1 2 374.300 2.944 20 10 FFCDLO CCc1ccc(C[N@@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001236785133 1038266436 /nfs/dbraw/zinc/26/64/36/1038266436.db2.gz FVSODGCCMGVURR-AEFFLSMTSA-N 1 2 362.470 2.775 20 10 FFCDLO CCc1ccc(C[N@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001236785133 1038266441 /nfs/dbraw/zinc/26/64/41/1038266441.db2.gz FVSODGCCMGVURR-AEFFLSMTSA-N 1 2 362.470 2.775 20 10 FFCDLO COC(=O)C[C@@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236789881 1038270391 /nfs/dbraw/zinc/27/03/91/1038270391.db2.gz RYSGEXQPKNJXJU-LJQANCHMSA-N 1 2 371.433 2.735 20 10 FFCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236789881 1038270401 /nfs/dbraw/zinc/27/04/01/1038270401.db2.gz RYSGEXQPKNJXJU-LJQANCHMSA-N 1 2 371.433 2.735 20 10 FFCDLO COC[C@H]1C[N@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236796809 1038277668 /nfs/dbraw/zinc/27/76/68/1038277668.db2.gz ZFKBFLPJHKAYSK-GFCCVEGCSA-N 1 2 351.834 2.534 20 10 FFCDLO COC[C@H]1C[N@@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236796809 1038277675 /nfs/dbraw/zinc/27/76/75/1038277675.db2.gz ZFKBFLPJHKAYSK-GFCCVEGCSA-N 1 2 351.834 2.534 20 10 FFCDLO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001278044343 1038416850 /nfs/dbraw/zinc/41/68/50/1038416850.db2.gz WQVJXAOIYJBYNS-FQEVSTJZSA-N 1 2 360.454 2.561 20 10 FFCDLO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001278044343 1038416854 /nfs/dbraw/zinc/41/68/54/1038416854.db2.gz WQVJXAOIYJBYNS-FQEVSTJZSA-N 1 2 360.454 2.561 20 10 FFCDLO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cn[nH]c4C)C3)C2)cc1 ZINC001209552496 1038981413 /nfs/dbraw/zinc/98/14/13/1038981413.db2.gz HPOATEBOLPFBMM-NRFANRHFSA-N 1 2 370.497 2.846 20 10 FFCDLO COc1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cn[nH]c4C)C3)C2)cc1 ZINC001209552496 1038981429 /nfs/dbraw/zinc/98/14/29/1038981429.db2.gz HPOATEBOLPFBMM-NRFANRHFSA-N 1 2 370.497 2.846 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc(OC)c(OC)c3)CC2)c(C)c1 ZINC001209619519 1039069519 /nfs/dbraw/zinc/06/95/19/1039069519.db2.gz WLJHKWJOIKLTDH-UHFFFAOYSA-N 1 2 357.454 2.738 20 10 FFCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001262617035 1041756674 /nfs/dbraw/zinc/75/66/74/1041756674.db2.gz HCTOXHOBEZAFFA-OXQOHEQNSA-N 1 2 354.450 2.813 20 10 FFCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001262617035 1041756682 /nfs/dbraw/zinc/75/66/82/1041756682.db2.gz HCTOXHOBEZAFFA-OXQOHEQNSA-N 1 2 354.450 2.813 20 10 FFCDLO COC1(CC(=O)N2CC3(C2)C[NH+](Cc2cccc(Cl)c2O)C3)CCC1 ZINC001279442718 1043119375 /nfs/dbraw/zinc/11/93/75/1043119375.db2.gz UBJIKAYXIZOYHA-UHFFFAOYSA-N 1 2 364.873 2.649 20 10 FFCDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(O)cc1O ZINC001279572255 1043276096 /nfs/dbraw/zinc/27/60/96/1043276096.db2.gz FREOZXPMKWVFLJ-BETUJISGSA-N 1 2 353.850 2.518 20 10 FFCDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001279572255 1043276103 /nfs/dbraw/zinc/27/61/03/1043276103.db2.gz FREOZXPMKWVFLJ-BETUJISGSA-N 1 2 353.850 2.518 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1)c1ccncc1 ZINC001237941471 1043446273 /nfs/dbraw/zinc/44/62/73/1043446273.db2.gz WUIAZWAZGBPJAE-CQSZACIVSA-N 1 2 363.820 2.974 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1)c1ccncc1 ZINC001237941471 1043446282 /nfs/dbraw/zinc/44/62/82/1043446282.db2.gz WUIAZWAZGBPJAE-CQSZACIVSA-N 1 2 363.820 2.974 20 10 FFCDLO Cc1cc(F)cc(C[N@@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)c1O ZINC001238061991 1043508269 /nfs/dbraw/zinc/50/82/69/1043508269.db2.gz SAXBQFDDVHHJDQ-UHFFFAOYSA-N 1 2 359.401 2.622 20 10 FFCDLO Cc1cc(F)cc(C[N@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)c1O ZINC001238061991 1043508279 /nfs/dbraw/zinc/50/82/79/1043508279.db2.gz SAXBQFDDVHHJDQ-UHFFFAOYSA-N 1 2 359.401 2.622 20 10 FFCDLO C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)n1cc[nH+]c1 ZINC001322290212 1046031399 /nfs/dbraw/zinc/03/13/99/1046031399.db2.gz NTUTZHALBPZFAL-VQIMIIECSA-N 1 2 356.470 2.718 20 10 FFCDLO OCCOC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001331528145 1047987073 /nfs/dbraw/zinc/98/70/73/1047987073.db2.gz DTLXBHDCQORLTH-UHFFFAOYSA-N 1 2 364.667 2.781 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](CO)c2c[nH+]cn2C)c1 ZINC001333980359 1049190001 /nfs/dbraw/zinc/19/00/01/1049190001.db2.gz QCIJDVKSUINWIF-QGZVFWFLSA-N 1 2 372.856 2.944 20 10 FFCDLO C[NH+]1CCN(c2ccc(CNCc3nc4c(s3)CCC4)cc2F)CC1 ZINC001334233197 1049326260 /nfs/dbraw/zinc/32/62/60/1049326260.db2.gz RPQAWITVRZQCAB-UHFFFAOYSA-N 1 2 360.502 2.813 20 10 FFCDLO CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccccc1O ZINC001339808779 1050228246 /nfs/dbraw/zinc/22/82/46/1050228246.db2.gz AEWCGQCHBLIIPL-AEFFLSMTSA-N 1 2 371.485 2.566 20 10 FFCDLO CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccccc1O ZINC001339808779 1050228257 /nfs/dbraw/zinc/22/82/57/1050228257.db2.gz AEWCGQCHBLIIPL-AEFFLSMTSA-N 1 2 371.485 2.566 20 10 FFCDLO CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccccc1O ZINC001339808781 1050228866 /nfs/dbraw/zinc/22/88/66/1050228866.db2.gz AEWCGQCHBLIIPL-FUHWJXTLSA-N 1 2 371.485 2.566 20 10 FFCDLO CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)Cc1ccccc1O ZINC001339808781 1050228870 /nfs/dbraw/zinc/22/88/70/1050228870.db2.gz AEWCGQCHBLIIPL-FUHWJXTLSA-N 1 2 371.485 2.566 20 10 FFCDLO CN(C)c1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1F ZINC001542430253 1071232810 /nfs/dbraw/zinc/23/28/10/1071232810.db2.gz MCCCGYSQZZOWPJ-UHFFFAOYSA-N 1 2 354.385 2.713 20 10 FFCDLO COC(=O)[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H]1CCC[C@@H](OC)C1 ZINC001338272980 1055377758 /nfs/dbraw/zinc/37/77/58/1055377758.db2.gz DCTYMAZHPMUMNR-FRFSOERESA-N 1 2 351.443 2.546 20 10 FFCDLO CC(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccccc1O ZINC001517495505 1060527656 /nfs/dbraw/zinc/52/76/56/1060527656.db2.gz ZLRCZMCARVHORL-UHFFFAOYSA-N 1 2 354.458 2.600 20 10 FFCDLO Cc1nc(NCc2cccc(C(=O)NCc3ccc(O)cc3O)c2)cc[nH+]1 ZINC001469158539 1064100798 /nfs/dbraw/zinc/10/07/98/1064100798.db2.gz ASHAXSOEIZMJMK-UHFFFAOYSA-N 1 2 364.405 2.738 20 10 FFCDLO Cc1cc(CNC(=O)N(C)CC[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC001471035508 1064532865 /nfs/dbraw/zinc/53/28/65/1064532865.db2.gz RXIJCPHXJZFNKC-UHFFFAOYSA-N 1 2 370.497 2.568 20 10 FFCDLO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001560939435 1076311838 /nfs/dbraw/zinc/31/18/38/1076311838.db2.gz IAECOIKAKVVQRH-UHFFFAOYSA-N 1 2 358.348 2.889 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589974182 1080915684 /nfs/dbraw/zinc/91/56/84/1080915684.db2.gz QOCBFXBSDCSKSX-PBFPGSCMSA-N 1 2 366.425 2.538 20 10 FFCDLO C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000152908008 508530254 /nfs/dbraw/zinc/53/02/54/508530254.db2.gz INCATAAIOQJJMR-RDTXWAMCSA-N 1 2 359.449 2.881 20 10 FFCDLO O=C(Nc1nncs1)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000377695312 512404573 /nfs/dbraw/zinc/40/45/73/512404573.db2.gz JUSFVOLBGNYIMY-UHFFFAOYSA-N 1 2 370.837 2.887 20 10 FFCDLO Cc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(C)[nH+]1 ZINC000268081138 509747305 /nfs/dbraw/zinc/74/73/05/509747305.db2.gz VJGQUVVPGZGAKT-UHFFFAOYSA-N 1 2 353.422 2.538 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(=O)Nc2cc(C)on2)c1O ZINC000177256401 509963136 /nfs/dbraw/zinc/96/31/36/509963136.db2.gz ZPZRMQOTPXXCAD-UHFFFAOYSA-N 1 2 351.790 2.615 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC(=O)Nc2cc(C)on2)c1O ZINC000177256401 509963146 /nfs/dbraw/zinc/96/31/46/509963146.db2.gz ZPZRMQOTPXXCAD-UHFFFAOYSA-N 1 2 351.790 2.615 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000180561697 509985001 /nfs/dbraw/zinc/98/50/01/509985001.db2.gz GXEBLBJAQIQIPJ-ZDUSSCGKSA-N 1 2 351.248 2.929 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000180561697 509985009 /nfs/dbraw/zinc/98/50/09/509985009.db2.gz GXEBLBJAQIQIPJ-ZDUSSCGKSA-N 1 2 351.248 2.929 20 10 FFCDLO C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000276863359 510948763 /nfs/dbraw/zinc/94/87/63/510948763.db2.gz CXPAHJXESJQDLV-XLKFXECMSA-N 1 2 365.302 2.505 20 10 FFCDLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(O)c1O ZINC000282800275 511116408 /nfs/dbraw/zinc/11/64/08/511116408.db2.gz OBBABEZPQZHFPV-AWEZNQCLSA-N 1 2 355.438 2.959 20 10 FFCDLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000282835832 511129344 /nfs/dbraw/zinc/12/93/44/511129344.db2.gz SLKXUNWUAVDHIQ-CQSZACIVSA-N 1 2 361.465 2.860 20 10 FFCDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280176902 511365078 /nfs/dbraw/zinc/36/50/78/511365078.db2.gz HGQNPNKELVGLTB-UHFFFAOYSA-N 1 2 352.422 2.638 20 10 FFCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280176902 511365086 /nfs/dbraw/zinc/36/50/86/511365086.db2.gz HGQNPNKELVGLTB-UHFFFAOYSA-N 1 2 352.422 2.638 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000273536048 511531014 /nfs/dbraw/zinc/53/10/14/511531014.db2.gz XKJKFECOKREHBI-BMIGLBTASA-N 1 2 351.349 2.841 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000363531443 511609714 /nfs/dbraw/zinc/60/97/14/511609714.db2.gz YFQQQYWDEMXDQR-UHFFFAOYSA-N 1 2 364.453 2.675 20 10 FFCDLO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000296413817 511733734 /nfs/dbraw/zinc/73/37/34/511733734.db2.gz LBIXMOFELRKJOT-IUCAKERBSA-N 1 2 355.287 2.677 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000374012756 512620753 /nfs/dbraw/zinc/62/07/53/512620753.db2.gz FZORDWLJABVZGE-QHRIQVFBSA-N 1 2 351.418 2.892 20 10 FFCDLO CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1O ZINC000376883854 513031319 /nfs/dbraw/zinc/03/13/19/513031319.db2.gz DLRRXQFJVRKTFW-CVEARBPZSA-N 1 2 352.862 2.866 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000057548413 536694342 /nfs/dbraw/zinc/69/43/42/536694342.db2.gz CJNJHPLXMIIIHN-UHFFFAOYSA-N 1 2 361.392 2.734 20 10 FFCDLO COCCc1ncc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898448083 735362141 /nfs/dbraw/zinc/36/21/41/735362141.db2.gz OXYAGCPITSYEJY-SFHVURJKSA-N 1 2 362.543 2.791 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)C(=O)CCc1c[nH]c[nH+]1 ZINC000189284085 729398186 /nfs/dbraw/zinc/39/81/86/729398186.db2.gz RYBOCQKVELONAN-UHFFFAOYSA-N 1 2 352.232 2.859 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)C(=O)CCc1c[nH+]c[nH]1 ZINC000189284085 729398188 /nfs/dbraw/zinc/39/81/88/729398188.db2.gz RYBOCQKVELONAN-UHFFFAOYSA-N 1 2 352.232 2.859 20 10 FFCDLO CCS(=O)(=O)C1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000194357660 729508447 /nfs/dbraw/zinc/50/84/47/729508447.db2.gz LNVMWSYVHPKNOB-UHFFFAOYSA-N 1 2 355.500 2.794 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)NCc2nc(C[NH+](C)C)cs2)cc1 ZINC000924761121 738445214 /nfs/dbraw/zinc/44/52/14/738445214.db2.gz OLQAOUWCUTYITP-UHFFFAOYSA-N 1 2 361.515 2.612 20 10 FFCDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2c(O)cccc2Br)no1 ZINC000858165427 730418479 /nfs/dbraw/zinc/41/84/79/730418479.db2.gz IHUABLHIYKLHKG-UHFFFAOYSA-N 1 2 369.215 2.954 20 10 FFCDLO CCS(=O)(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862350123 730690633 /nfs/dbraw/zinc/69/06/33/730690633.db2.gz HTVMMSDOTVSQHV-UHFFFAOYSA-N 1 2 362.289 2.554 20 10 FFCDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876642871 732264483 /nfs/dbraw/zinc/26/44/83/732264483.db2.gz OFEWXBILFJEAAD-SNVBAGLBSA-N 1 2 356.394 2.511 20 10 FFCDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876642871 732264485 /nfs/dbraw/zinc/26/44/85/732264485.db2.gz OFEWXBILFJEAAD-SNVBAGLBSA-N 1 2 356.394 2.511 20 10 FFCDLO O=C1[C@H]([NH2+]Cc2ccc(F)c(F)c2O)CCN1Cc1ccc(F)cc1 ZINC000877473970 732367766 /nfs/dbraw/zinc/36/77/66/732367766.db2.gz PGOFOGGXSWOBTO-OAHLLOKOSA-N 1 2 350.340 2.700 20 10 FFCDLO C[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000926905421 738666888 /nfs/dbraw/zinc/66/68/88/738666888.db2.gz BLUBDRXMZAYWFX-NSHDSACASA-N 1 2 355.406 2.967 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000781894840 738668931 /nfs/dbraw/zinc/66/89/31/738668931.db2.gz MVYNZEZYYHETIA-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882995492 733319463 /nfs/dbraw/zinc/31/94/63/733319463.db2.gz AIIGOEAICGKYPT-UHFFFAOYSA-N 1 2 368.268 2.597 20 10 FFCDLO COc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c(OC)n1 ZINC000883123305 733339129 /nfs/dbraw/zinc/33/91/29/733339129.db2.gz UBNZKGKIYJSPCU-UHFFFAOYSA-N 1 2 371.206 2.996 20 10 FFCDLO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000886220395 733761159 /nfs/dbraw/zinc/76/11/59/733761159.db2.gz HKUCNNLKIYXYQT-VXGBXAGGSA-N 1 2 364.667 2.828 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000708204247 734362559 /nfs/dbraw/zinc/36/25/59/734362559.db2.gz LYQCAIIQUWYKMH-GFCCVEGCSA-N 1 2 352.681 2.766 20 10 FFCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)CC(C)(C)S(C)(=O)=O ZINC000715783424 734372325 /nfs/dbraw/zinc/37/23/25/734372325.db2.gz AQZRXPOUGMRQIR-UHFFFAOYSA-N 1 2 368.268 2.549 20 10 FFCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)CC(C)(C)S(C)(=O)=O ZINC000715783424 734372331 /nfs/dbraw/zinc/37/23/31/734372331.db2.gz AQZRXPOUGMRQIR-UHFFFAOYSA-N 1 2 368.268 2.549 20 10 FFCDLO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000896814453 735184532 /nfs/dbraw/zinc/18/45/32/735184532.db2.gz OYCSFJZETGANEH-UHFFFAOYSA-N 1 2 357.834 2.921 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(Br)cc(F)c1O ZINC000756732008 736356276 /nfs/dbraw/zinc/35/62/76/736356276.db2.gz KLWDBPUTDJABSH-SZRLZVLASA-N 1 2 371.250 2.954 20 10 FFCDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756776485 736360736 /nfs/dbraw/zinc/36/07/36/736360736.db2.gz ZOYJOQBSLGXTGU-KKFJDGPESA-N 1 2 359.239 2.859 20 10 FFCDLO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775741739 738120336 /nfs/dbraw/zinc/12/03/36/738120336.db2.gz PZANGJMADPRIBT-ZBEGNZNMSA-N 1 2 353.825 2.864 20 10 FFCDLO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775741739 738120338 /nfs/dbraw/zinc/12/03/38/738120338.db2.gz PZANGJMADPRIBT-ZBEGNZNMSA-N 1 2 353.825 2.864 20 10 FFCDLO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(Br)c3O)[C@@H]2C1 ZINC000808448050 741226795 /nfs/dbraw/zinc/22/67/95/741226795.db2.gz WIOZSVRCZMVKQV-LZWOXQAQSA-N 1 2 367.287 2.891 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000809711104 741335426 /nfs/dbraw/zinc/33/54/26/741335426.db2.gz JWEQWYVWGMBTMU-GFCCVEGCSA-N 1 2 356.747 2.537 20 10 FFCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@H+]2C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000817298611 742120648 /nfs/dbraw/zinc/12/06/48/742120648.db2.gz NDADFJBKJJEBSW-WBVHZDCISA-N 1 2 366.527 2.611 20 10 FFCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@@H+]2C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000817298611 742120651 /nfs/dbraw/zinc/12/06/51/742120651.db2.gz NDADFJBKJJEBSW-WBVHZDCISA-N 1 2 366.527 2.611 20 10 FFCDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)s1 ZINC000823456176 742915853 /nfs/dbraw/zinc/91/58/53/742915853.db2.gz PZHXYYRIAZAFAK-QMMMGPOBSA-N 1 2 352.387 2.828 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1cccc2nsnc21)Cc1ccccc1O ZINC000823581838 742940895 /nfs/dbraw/zinc/94/08/95/742940895.db2.gz QVLCAGUENAZIGZ-UHFFFAOYSA-N 1 2 357.435 2.962 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1cccc2nsnc21)Cc1ccccc1O ZINC000823581838 742940898 /nfs/dbraw/zinc/94/08/98/742940898.db2.gz QVLCAGUENAZIGZ-UHFFFAOYSA-N 1 2 357.435 2.962 20 10 FFCDLO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC000824976524 743188085 /nfs/dbraw/zinc/18/80/85/743188085.db2.gz BUCGFJQZHVSUQJ-HNNXBMFYSA-N 1 2 374.300 2.555 20 10 FFCDLO O=S1(=O)CC[C@@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC000824976524 743188092 /nfs/dbraw/zinc/18/80/92/743188092.db2.gz BUCGFJQZHVSUQJ-HNNXBMFYSA-N 1 2 374.300 2.555 20 10 FFCDLO CN(CCO)c1ccc(NCc2ccc(Br)cc2O)[nH+]c1 ZINC000825354162 743254883 /nfs/dbraw/zinc/25/48/83/743254883.db2.gz RTIYDZKJMUBLHK-UHFFFAOYSA-N 1 2 352.232 2.590 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826510902 743390153 /nfs/dbraw/zinc/39/01/53/743390153.db2.gz QPHLGGHKGSBTRH-UHFFFAOYSA-N 1 2 351.744 2.794 20 10 FFCDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000840718977 747165854 /nfs/dbraw/zinc/16/58/54/747165854.db2.gz PSRJLYYPVOSRQD-ZDUSSCGKSA-N 1 2 361.467 2.617 20 10 FFCDLO COC[C@@H](CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O)OC ZINC000850485976 749372139 /nfs/dbraw/zinc/37/21/39/749372139.db2.gz PGNHXFKXWHXIBG-MWLCHTKSSA-N 1 2 350.228 2.996 20 10 FFCDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)[nH]n1 ZINC000895710238 970872366 /nfs/dbraw/zinc/87/23/66/970872366.db2.gz IPANTIXSISKOLC-LJQANCHMSA-N 1 2 353.470 2.707 20 10 FFCDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)[nH]n1 ZINC000895710238 970872378 /nfs/dbraw/zinc/87/23/78/970872378.db2.gz IPANTIXSISKOLC-LJQANCHMSA-N 1 2 353.470 2.707 20 10 FFCDLO O=C(CCn1cc[nH+]c1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001176878532 1013791733 /nfs/dbraw/zinc/79/17/33/1013791733.db2.gz VSLFTVOJGWYFEZ-UHFFFAOYSA-N 1 2 368.359 2.521 20 10 FFCDLO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000895366775 970495641 /nfs/dbraw/zinc/49/56/41/970495641.db2.gz VWFYDGCFOZLIJC-UHFFFAOYSA-N 1 2 358.348 2.889 20 10 FFCDLO CNC(=O)CC[N@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)CCC3)c1C ZINC000728928366 977513952 /nfs/dbraw/zinc/51/39/52/977513952.db2.gz TUEQSGSELNJCMM-UHFFFAOYSA-N 1 2 367.493 2.833 20 10 FFCDLO CNC(=O)CC[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)CCC3)c1C ZINC000728928366 977513958 /nfs/dbraw/zinc/51/39/58/977513958.db2.gz TUEQSGSELNJCMM-UHFFFAOYSA-N 1 2 367.493 2.833 20 10 FFCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000728945437 977932288 /nfs/dbraw/zinc/93/22/88/977932288.db2.gz SMDUQWAZPGXVOV-CYBMUJFWSA-N 1 2 358.442 2.537 20 10 FFCDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)c1 ZINC000877560024 1014627212 /nfs/dbraw/zinc/62/72/12/1014627212.db2.gz DNPYXLFCBHPUAO-UHFFFAOYSA-N 1 2 365.380 2.881 20 10 FFCDLO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000841869744 982266628 /nfs/dbraw/zinc/26/66/28/982266628.db2.gz PTSSVJUZROFIPM-RTBURBONSA-N 1 2 374.435 2.834 20 10 FFCDLO C[N@H+]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000841869744 982266633 /nfs/dbraw/zinc/26/66/33/982266633.db2.gz PTSSVJUZROFIPM-RTBURBONSA-N 1 2 374.435 2.834 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000057548273 984503446 /nfs/dbraw/zinc/50/34/46/984503446.db2.gz IZHYIQWHEVUPRG-HLIPFELVSA-N 1 2 359.514 2.901 20 10 FFCDLO Cc1cc(CCNC(=O)NCCn2cc[nH+]c2)c(C)n1-c1ccccc1 ZINC000915905635 989704724 /nfs/dbraw/zinc/70/47/24/989704724.db2.gz YIJNOVNYQZPKLW-UHFFFAOYSA-N 1 2 351.454 2.833 20 10 FFCDLO COc1cc(C)cc(CN2CC[NH+](CCOc3ccccc3)CC2)c1O ZINC000916568170 989831367 /nfs/dbraw/zinc/83/13/67/989831367.db2.gz LHRNMMUFZMFQNE-UHFFFAOYSA-N 1 2 356.466 2.906 20 10 FFCDLO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179887485 991369663 /nfs/dbraw/zinc/36/96/63/991369663.db2.gz DGHBUAQMEWJGCX-UHFFFAOYSA-N 1 2 371.456 2.850 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000068783409 991512423 /nfs/dbraw/zinc/51/24/23/991512423.db2.gz JSLJRRSFNFPSHK-FQEVSTJZSA-N 1 2 351.450 2.623 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825441254 997377004 /nfs/dbraw/zinc/37/70/04/997377004.db2.gz NLTDBWZZCRUJGJ-PBHICJAKSA-N 1 2 365.470 2.851 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825441254 997377011 /nfs/dbraw/zinc/37/70/11/997377011.db2.gz NLTDBWZZCRUJGJ-PBHICJAKSA-N 1 2 365.470 2.851 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)cc2)CC1 ZINC000844132003 997674229 /nfs/dbraw/zinc/67/42/29/997674229.db2.gz BSFFBDGPUSIIKC-GOSISDBHSA-N 1 2 352.482 2.998 20 10 FFCDLO Cn1cnnc1C1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144306592 998301215 /nfs/dbraw/zinc/30/12/15/998301215.db2.gz HYIGIMNBVMNTPM-UHFFFAOYSA-N 1 2 369.238 2.802 20 10 FFCDLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768466553 1000264526 /nfs/dbraw/zinc/26/45/26/1000264526.db2.gz SADBCHQSOOQLHU-LJQANCHMSA-N 1 2 365.433 2.695 20 10 FFCDLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768466553 1000264532 /nfs/dbraw/zinc/26/45/32/1000264532.db2.gz SADBCHQSOOQLHU-LJQANCHMSA-N 1 2 365.433 2.695 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC3(CC4CC4)CC3)cc12 ZINC001184360717 1002568208 /nfs/dbraw/zinc/56/82/08/1002568208.db2.gz RAVDTNUQZMSANB-UHFFFAOYSA-N 1 2 370.449 2.688 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC3(CC4CC4)CC3)cc12 ZINC001184360717 1002568220 /nfs/dbraw/zinc/56/82/20/1002568220.db2.gz RAVDTNUQZMSANB-UHFFFAOYSA-N 1 2 370.449 2.688 20 10 FFCDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193224784 1004403382 /nfs/dbraw/zinc/40/33/82/1004403382.db2.gz AWGJQQOHGWFEQD-UHFFFAOYSA-N 1 2 361.829 2.834 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C2)cc1 ZINC000855227622 1007193332 /nfs/dbraw/zinc/19/33/32/1007193332.db2.gz YXNXLBBKLQILDH-INIZCTEOSA-N 1 2 350.422 2.660 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000858103829 1008303079 /nfs/dbraw/zinc/30/30/79/1008303079.db2.gz SOXBBJXSSFSWHT-UHFFFAOYSA-N 1 2 364.449 2.852 20 10 FFCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001178208321 1008908638 /nfs/dbraw/zinc/90/86/38/1008908638.db2.gz QGAHPGDKRLBRJK-MRXNPFEDSA-N 1 2 361.511 2.996 20 10 FFCDLO O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000862027875 1009670001 /nfs/dbraw/zinc/67/00/01/1009670001.db2.gz IGXHTRHHNAIKOA-SFHVURJKSA-N 1 2 362.433 2.616 20 10 FFCDLO O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000862027875 1009670012 /nfs/dbraw/zinc/67/00/12/1009670012.db2.gz IGXHTRHHNAIKOA-SFHVURJKSA-N 1 2 362.433 2.616 20 10 FFCDLO COc1cc(N2CC[NH+]([C@@H](C)c3cnc(C)cn3)CC2)cc(OC)c1OC ZINC000794494190 1010122045 /nfs/dbraw/zinc/12/20/45/1010122045.db2.gz FBXDVVWXLNANHG-HNNXBMFYSA-N 1 2 372.469 2.694 20 10 FFCDLO COC1(CO)CC[NH+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 ZINC000773934326 1010176919 /nfs/dbraw/zinc/17/69/19/1010176919.db2.gz IQVDYFHRPZCACQ-UHFFFAOYSA-N 1 2 374.456 2.889 20 10 FFCDLO C/C(=C/C(=O)N(Cc1ccco1)Cc1ccccc1O)C[NH+]1CCOCC1 ZINC000901054169 1020793292 /nfs/dbraw/zinc/79/32/92/1020793292.db2.gz BXJSRIWPYBLQCQ-LGMDPLHJSA-N 1 2 370.449 2.793 20 10 FFCDLO O=c1c2ccc(O)cc2oc(-c2ccc(O)c(O)c2)c1O[C@@H]1CCC[NH2+]C1 ZINC001218283923 1033085909 /nfs/dbraw/zinc/08/59/09/1033085909.db2.gz LRTGIUFASHVZAH-CYBMUJFWSA-N 1 2 369.373 2.708 20 10 FFCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2[nH+]ccn2C)cc1 ZINC001123636327 1023914873 /nfs/dbraw/zinc/91/48/73/1023914873.db2.gz KVBBELRDGQQMEL-IBGZPJMESA-N 1 2 370.497 2.627 20 10 FFCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2[nH+]ccn2C)cc1 ZINC001123636328 1023914927 /nfs/dbraw/zinc/91/49/27/1023914927.db2.gz KVBBELRDGQQMEL-LJQANCHMSA-N 1 2 370.497 2.627 20 10 FFCDLO Oc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137835871 1033173426 /nfs/dbraw/zinc/17/34/26/1033173426.db2.gz QMVZWEPJHGCXQC-DYESRHJHSA-N 1 2 371.456 2.649 20 10 FFCDLO Oc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137835871 1033173435 /nfs/dbraw/zinc/17/34/35/1033173435.db2.gz QMVZWEPJHGCXQC-DYESRHJHSA-N 1 2 371.456 2.649 20 10 FFCDLO [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137835871 1033173445 /nfs/dbraw/zinc/17/34/45/1033173445.db2.gz QMVZWEPJHGCXQC-DYESRHJHSA-N 1 2 371.456 2.649 20 10 FFCDLO [O-]c1cccc(F)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137835871 1033173453 /nfs/dbraw/zinc/17/34/53/1033173453.db2.gz QMVZWEPJHGCXQC-DYESRHJHSA-N 1 2 371.456 2.649 20 10 FFCDLO [O-]c1cccc(F)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137835871 1033173460 /nfs/dbraw/zinc/17/34/60/1033173460.db2.gz QMVZWEPJHGCXQC-DYESRHJHSA-N 1 2 371.456 2.649 20 10 FFCDLO [O-]c1cccc(F)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137835871 1033173466 /nfs/dbraw/zinc/17/34/66/1033173466.db2.gz QMVZWEPJHGCXQC-DYESRHJHSA-N 1 2 371.456 2.649 20 10 FFCDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000779664356 1024385775 /nfs/dbraw/zinc/38/57/75/1024385775.db2.gz RWQLQDISSKOPQA-INIZCTEOSA-N 1 2 366.421 2.909 20 10 FFCDLO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCN1C(=O)OC(C)(C)C ZINC001141139921 1025507625 /nfs/dbraw/zinc/50/76/25/1025507625.db2.gz DZDXPGRZWJQWMU-HNNXBMFYSA-N 1 2 361.486 2.956 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCN1C(=O)OC(C)(C)C ZINC001141139921 1025507637 /nfs/dbraw/zinc/50/76/37/1025507637.db2.gz DZDXPGRZWJQWMU-HNNXBMFYSA-N 1 2 361.486 2.956 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)Cc2nn(CC)cc21 ZINC001141142654 1025513068 /nfs/dbraw/zinc/51/30/68/1025513068.db2.gz VQHWFHHEWIAHPL-KRWDZBQOSA-N 1 2 370.497 2.868 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)Cc2nn(CC)cc21 ZINC001141142654 1025513080 /nfs/dbraw/zinc/51/30/80/1025513080.db2.gz VQHWFHHEWIAHPL-KRWDZBQOSA-N 1 2 370.497 2.868 20 10 FFCDLO COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000839479655 1026695157 /nfs/dbraw/zinc/69/51/57/1026695157.db2.gz UAGATPTUBAYULH-GFCCVEGCSA-N 1 2 357.410 2.537 20 10 FFCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)CC2(CCC2)C1=O ZINC000839954129 1026880540 /nfs/dbraw/zinc/88/05/40/1026880540.db2.gz AOCDFALMJICNFK-UHFFFAOYSA-N 1 2 355.482 2.995 20 10 FFCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)CC2(CCC2)C1=O ZINC000839954129 1026880544 /nfs/dbraw/zinc/88/05/44/1026880544.db2.gz AOCDFALMJICNFK-UHFFFAOYSA-N 1 2 355.482 2.995 20 10 FFCDLO CCc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc(CC)[nH+]1 ZINC001162221980 1028472052 /nfs/dbraw/zinc/47/20/52/1028472052.db2.gz UTOUFSKFUSEOMB-INIZCTEOSA-N 1 2 367.497 2.915 20 10 FFCDLO CCOc1cccc(C[N@@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001203602497 1030781189 /nfs/dbraw/zinc/78/11/89/1030781189.db2.gz ZUDAURPRPYOKBI-KBPBESRZSA-N 1 2 354.422 2.838 20 10 FFCDLO CCOc1cccc(C[N@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001203602497 1030781205 /nfs/dbraw/zinc/78/12/05/1030781205.db2.gz ZUDAURPRPYOKBI-KBPBESRZSA-N 1 2 354.422 2.838 20 10 FFCDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1cc(Cl)ccc1O)C2 ZINC001203656974 1030809379 /nfs/dbraw/zinc/80/93/79/1030809379.db2.gz AOAHUOVCWVNEOG-UHFFFAOYSA-N 1 2 363.893 2.883 20 10 FFCDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cc(Cl)ccc1O)C2 ZINC001203656974 1030809403 /nfs/dbraw/zinc/80/94/03/1030809403.db2.gz AOAHUOVCWVNEOG-UHFFFAOYSA-N 1 2 363.893 2.883 20 10 FFCDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203659650 1030815379 /nfs/dbraw/zinc/81/53/79/1030815379.db2.gz WVCOKVHTKHMAQF-LJQANCHMSA-N 1 2 366.889 2.895 20 10 FFCDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203659650 1030815403 /nfs/dbraw/zinc/81/54/03/1030815403.db2.gz WVCOKVHTKHMAQF-LJQANCHMSA-N 1 2 366.889 2.895 20 10 FFCDLO Cn1ncc2c1C[N@H+](Cc1cccc(F)c1O)C[C@@H]2COc1cccnc1 ZINC001138124961 1033802878 /nfs/dbraw/zinc/80/28/78/1033802878.db2.gz FPWGTFYADRGGQG-OAHLLOKOSA-N 1 2 368.412 2.838 20 10 FFCDLO Cn1ncc2c1C[N@@H+](Cc1cccc(F)c1O)C[C@@H]2COc1cccnc1 ZINC001138124961 1033802887 /nfs/dbraw/zinc/80/28/87/1033802887.db2.gz FPWGTFYADRGGQG-OAHLLOKOSA-N 1 2 368.412 2.838 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001138127406 1033809170 /nfs/dbraw/zinc/80/91/70/1033809170.db2.gz ZYWYJHDAOHUDDF-BMGDILEWSA-N 1 2 358.413 2.985 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001138127406 1033809187 /nfs/dbraw/zinc/80/91/87/1033809187.db2.gz ZYWYJHDAOHUDDF-BMGDILEWSA-N 1 2 358.413 2.985 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001277098531 1034524807 /nfs/dbraw/zinc/52/48/07/1034524807.db2.gz SBFGFYMNYALYLC-CWTRNNRKSA-N 1 2 366.408 2.605 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(F)c1F ZINC001277098531 1034524817 /nfs/dbraw/zinc/52/48/17/1034524817.db2.gz SBFGFYMNYALYLC-CWTRNNRKSA-N 1 2 366.408 2.605 20 10 FFCDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C)C1 ZINC000832120790 1034577889 /nfs/dbraw/zinc/57/78/89/1034577889.db2.gz FETRAUWXLUNUHI-QGZVFWFLSA-N 1 2 367.493 2.943 20 10 FFCDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C)C1 ZINC000832120790 1034577894 /nfs/dbraw/zinc/57/78/94/1034577894.db2.gz FETRAUWXLUNUHI-QGZVFWFLSA-N 1 2 367.493 2.943 20 10 FFCDLO CCN1C(=O)CCC12CC[NH+](Cc1c(O)ccc3c(C)cc(=O)oc31)CC2 ZINC001139125175 1034955288 /nfs/dbraw/zinc/95/52/88/1034955288.db2.gz OLNQASFYXZUAJV-UHFFFAOYSA-N 1 2 370.449 2.784 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001139132556 1034961137 /nfs/dbraw/zinc/96/11/37/1034961137.db2.gz WNUCMKKVSWZLAC-OAHLLOKOSA-N 1 2 352.390 2.855 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001139132556 1034961146 /nfs/dbraw/zinc/96/11/46/1034961146.db2.gz WNUCMKKVSWZLAC-OAHLLOKOSA-N 1 2 352.390 2.855 20 10 FFCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001140198760 1035376888 /nfs/dbraw/zinc/37/68/88/1035376888.db2.gz RDLOUSZIVDTGLL-CYBMUJFWSA-N 1 2 362.348 2.884 20 10 FFCDLO Oc1cccc(Cl)c1CN1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001140339227 1035443535 /nfs/dbraw/zinc/44/35/35/1035443535.db2.gz GDCCLYUJTWVFCH-IFXJQAMLSA-N 1 2 362.857 2.971 20 10 FFCDLO Oc1cccc(Cl)c1CN1C[C@@H]2C[N@@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001140339227 1035443536 /nfs/dbraw/zinc/44/35/36/1035443536.db2.gz GDCCLYUJTWVFCH-IFXJQAMLSA-N 1 2 362.857 2.971 20 10 FFCDLO COC(=O)C[N@H+](Cc1c2ccccc2n(C)c1C(=O)OC)C1CCCC1 ZINC001232405240 1035654177 /nfs/dbraw/zinc/65/41/77/1035654177.db2.gz IRFXXECWUPIDEL-UHFFFAOYSA-N 1 2 358.438 2.883 20 10 FFCDLO COC(=O)C[N@@H+](Cc1c2ccccc2n(C)c1C(=O)OC)C1CCCC1 ZINC001232405240 1035654188 /nfs/dbraw/zinc/65/41/88/1035654188.db2.gz IRFXXECWUPIDEL-UHFFFAOYSA-N 1 2 358.438 2.883 20 10 FFCDLO COc1ccnc(OC2CC[NH+](Cc3c(O)cc(F)cc3F)CC2)n1 ZINC001140585411 1035671710 /nfs/dbraw/zinc/67/17/10/1035671710.db2.gz IMRJZIXQYQSMDN-UHFFFAOYSA-N 1 2 351.353 2.512 20 10 FFCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1cc(C)ccc1O ZINC001140622242 1035749182 /nfs/dbraw/zinc/74/91/82/1035749182.db2.gz ZEGDFAYREIGTTQ-SFHVURJKSA-N 1 2 356.470 2.714 20 10 FFCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1cc(C)ccc1O ZINC001140622242 1035749200 /nfs/dbraw/zinc/74/92/00/1035749200.db2.gz ZEGDFAYREIGTTQ-SFHVURJKSA-N 1 2 356.470 2.714 20 10 FFCDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015431 1036251911 /nfs/dbraw/zinc/25/19/11/1036251911.db2.gz NLDWBQBZYXUEGL-WCQYABFASA-N 1 2 352.431 2.539 20 10 FFCDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015431 1036251929 /nfs/dbraw/zinc/25/19/29/1036251929.db2.gz NLDWBQBZYXUEGL-WCQYABFASA-N 1 2 352.431 2.539 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2c(CO)cnc(C)c2O)C1 ZINC001140869955 1036328884 /nfs/dbraw/zinc/32/88/84/1036328884.db2.gz XMMLUSMOJNYYBK-UHFFFAOYSA-N 1 2 367.449 2.647 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2c(CO)cnc(C)c2O)C1 ZINC001140869955 1036328903 /nfs/dbraw/zinc/32/89/03/1036328903.db2.gz XMMLUSMOJNYYBK-UHFFFAOYSA-N 1 2 367.449 2.647 20 10 FFCDLO Oc1ccc(F)c(F)c1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001233333136 1036537775 /nfs/dbraw/zinc/53/77/75/1036537775.db2.gz KZXNFBNBOCPYNC-IEZWGBDMSA-N 1 2 362.376 2.876 20 10 FFCDLO Oc1ccc(F)c(F)c1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001233333136 1036537782 /nfs/dbraw/zinc/53/77/82/1036537782.db2.gz KZXNFBNBOCPYNC-IEZWGBDMSA-N 1 2 362.376 2.876 20 10 FFCDLO Oc1c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)cccc1C(F)(F)F ZINC001233419905 1036612788 /nfs/dbraw/zinc/61/27/88/1036612788.db2.gz RATMIMWIEJIQQS-LSDHHAIUSA-N 1 2 362.367 2.656 20 10 FFCDLO Oc1c(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)cccc1C(F)(F)F ZINC001233419905 1036612795 /nfs/dbraw/zinc/61/27/95/1036612795.db2.gz RATMIMWIEJIQQS-LSDHHAIUSA-N 1 2 362.367 2.656 20 10 FFCDLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453234 1036634506 /nfs/dbraw/zinc/63/45/06/1036634506.db2.gz ZZVAKFHMCCXRDE-GFCCVEGCSA-N 1 2 370.375 2.768 20 10 FFCDLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453234 1036634511 /nfs/dbraw/zinc/63/45/11/1036634511.db2.gz ZZVAKFHMCCXRDE-GFCCVEGCSA-N 1 2 370.375 2.768 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC3(CN(Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141028836 1036766836 /nfs/dbraw/zinc/76/68/36/1036766836.db2.gz BJPPHPHXBWMTLA-UHFFFAOYSA-N 1 2 354.450 2.727 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(OC)c1 ZINC001141031015 1036775286 /nfs/dbraw/zinc/77/52/86/1036775286.db2.gz VMMKVTNQCHIOIU-UHFFFAOYSA-N 1 2 362.470 2.634 20 10 FFCDLO CCCCN1C[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277506658 1037534283 /nfs/dbraw/zinc/53/42/83/1037534283.db2.gz JHBWEYXIKFZKJH-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCCCN1C[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277506658 1037534291 /nfs/dbraw/zinc/53/42/91/1037534291.db2.gz JHBWEYXIKFZKJH-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC001231854229 1037950288 /nfs/dbraw/zinc/95/02/88/1037950288.db2.gz BYRZEJUORIZXCR-UHFFFAOYSA-N 1 2 359.514 2.986 20 10 FFCDLO COCCN(Cc1cc(Cl)cc(Br)c1O)[C@@H]1CC[NH2+]C1 ZINC001236334347 1038052225 /nfs/dbraw/zinc/05/22/25/1038052225.db2.gz OLNORQOJHGMJHZ-GFCCVEGCSA-N 1 2 363.683 2.618 20 10 FFCDLO COc1ccc([N@@H+]2CCC[C@]3(CCN(CC(OC)OC)C3=O)CC2)cc1 ZINC001277988925 1038153055 /nfs/dbraw/zinc/15/30/55/1038153055.db2.gz OMIUTVIUKKIBGS-HXUWFJFHSA-N 1 2 362.470 2.523 20 10 FFCDLO COc1ccc([N@H+]2CCC[C@]3(CCN(CC(OC)OC)C3=O)CC2)cc1 ZINC001277988925 1038153060 /nfs/dbraw/zinc/15/30/60/1038153060.db2.gz OMIUTVIUKKIBGS-HXUWFJFHSA-N 1 2 362.470 2.523 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC(Oc3ccc(F)c(F)c3)C2)cc1OC ZINC001236757074 1038245683 /nfs/dbraw/zinc/24/56/83/1038245683.db2.gz XZHSMVUSDBLBRQ-UHFFFAOYSA-N 1 2 351.349 2.951 20 10 FFCDLO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001237058839 1038427081 /nfs/dbraw/zinc/42/70/81/1038427081.db2.gz LFKNQMSZLCOOBK-UHFFFAOYSA-N 1 2 353.287 2.943 20 10 FFCDLO COc1cc(CN2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c(O)cc1O ZINC001279299846 1042990070 /nfs/dbraw/zinc/99/00/70/1042990070.db2.gz QSNCINSDGYZZII-UHFFFAOYSA-N 1 2 360.376 2.709 20 10 FFCDLO COc1cc(CN2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c(O)cc1O ZINC001279299846 1042990073 /nfs/dbraw/zinc/99/00/73/1042990073.db2.gz QSNCINSDGYZZII-UHFFFAOYSA-N 1 2 360.376 2.709 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)cc1Cl ZINC001279571670 1043275508 /nfs/dbraw/zinc/27/55/08/1043275508.db2.gz MSYNWVNVMYAHOX-OKILXGFUSA-N 1 2 367.877 2.821 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)cc1Cl ZINC001279571670 1043275516 /nfs/dbraw/zinc/27/55/16/1043275516.db2.gz MSYNWVNVMYAHOX-OKILXGFUSA-N 1 2 367.877 2.821 20 10 FFCDLO O=C(C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)N1CCC(=O)CC1 ZINC001237620414 1043276580 /nfs/dbraw/zinc/27/65/80/1043276580.db2.gz MIRJWJCJTNFSQH-UHFFFAOYSA-N 1 2 368.836 2.588 20 10 FFCDLO COc1cc(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c(O)c(OC)c1 ZINC001237669352 1043301085 /nfs/dbraw/zinc/30/10/85/1043301085.db2.gz MBBYVQMPDAATTK-UHFFFAOYSA-N 1 2 364.442 2.605 20 10 FFCDLO COc1cc(C[N@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c(O)c(OC)c1 ZINC001237669352 1043301094 /nfs/dbraw/zinc/30/10/94/1043301094.db2.gz MBBYVQMPDAATTK-UHFFFAOYSA-N 1 2 364.442 2.605 20 10 FFCDLO C[N@@H+](Cc1cccc(I)c1O)CC1CCOCC1 ZINC001237774955 1043350733 /nfs/dbraw/zinc/35/07/33/1043350733.db2.gz AUJLBQWIHJQCKR-UHFFFAOYSA-N 1 2 361.223 2.855 20 10 FFCDLO C[N@H+](Cc1cccc(I)c1O)CC1CCOCC1 ZINC001237774955 1043350743 /nfs/dbraw/zinc/35/07/43/1043350743.db2.gz AUJLBQWIHJQCKR-UHFFFAOYSA-N 1 2 361.223 2.855 20 10 FFCDLO COc1ccc(N2C[C@@H]3C[N@@H+](Cc4scnc4C)C[C@H](C2)O3)cc1F ZINC001279762304 1043602848 /nfs/dbraw/zinc/60/28/48/1043602848.db2.gz NPQYPMRJJMGOJM-GASCZTMLSA-N 1 2 363.458 2.689 20 10 FFCDLO COc1ccc(N2C[C@@H]3C[N@H+](Cc4scnc4C)C[C@H](C2)O3)cc1F ZINC001279762304 1043602853 /nfs/dbraw/zinc/60/28/53/1043602853.db2.gz NPQYPMRJJMGOJM-GASCZTMLSA-N 1 2 363.458 2.689 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001321839867 1045829781 /nfs/dbraw/zinc/82/97/81/1045829781.db2.gz QLSQIASCBRSGEF-UHFFFAOYSA-N 1 2 374.554 2.911 20 10 FFCDLO CC[C@H](C(=O)NCCCSc1nccs1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001542956218 1071346354 /nfs/dbraw/zinc/34/63/54/1071346354.db2.gz NWFQUXXPZJMCNM-UONOGXRCSA-N 1 2 357.545 2.631 20 10 FFCDLO CC[C@H](C(=O)NCCCSc1nccs1)[N@H+]1CCO[C@@H](CC)C1 ZINC001542956218 1071346372 /nfs/dbraw/zinc/34/63/72/1071346372.db2.gz NWFQUXXPZJMCNM-UONOGXRCSA-N 1 2 357.545 2.631 20 10 FFCDLO CCNc1cc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc[nH+]1 ZINC001348701249 1054870097 /nfs/dbraw/zinc/87/00/97/1054870097.db2.gz JMHHRQWORNYWPY-UHFFFAOYSA-N 1 2 351.454 2.889 20 10 FFCDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1O ZINC001471195555 1064597446 /nfs/dbraw/zinc/59/74/46/1064597446.db2.gz ZPBJVOMBFWCKPY-LBPRGKRZSA-N 1 2 352.350 2.977 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1O ZINC001589870181 1080818951 /nfs/dbraw/zinc/81/89/51/1080818951.db2.gz PCQQHVAZKSPARW-VXGBXAGGSA-N 1 2 368.397 2.935 20 10 FFCDLO C[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589977737 1080916982 /nfs/dbraw/zinc/91/69/82/1080916982.db2.gz HPSLBGMZPFBAMR-ACJLOTCBSA-N 1 2 357.458 2.962 20 10 FFCDLO O=C(NCCCNc1cccc[nH+]1)NCc1ccc(N2CC=CC2)cc1 ZINC000127199641 508413024 /nfs/dbraw/zinc/41/30/24/508413024.db2.gz KPJXUJKZSIEBKQ-UHFFFAOYSA-N 1 2 351.454 2.759 20 10 FFCDLO Cc1ccc2[nH+]c(CSCC(=O)NCCc3ccc(O)c(O)c3)cn2c1 ZINC000156722152 508468506 /nfs/dbraw/zinc/46/85/06/508468506.db2.gz DDOKZWBDUUEIEY-UHFFFAOYSA-N 1 2 371.462 2.646 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000161507576 509123353 /nfs/dbraw/zinc/12/33/53/509123353.db2.gz FZKQOEHZVVIFIK-SFHVURJKSA-N 1 2 352.482 2.998 20 10 FFCDLO CC(C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000133193008 509129896 /nfs/dbraw/zinc/12/98/96/509129896.db2.gz LIMVVILHLISFIS-UHFFFAOYSA-N 1 2 353.054 2.778 20 10 FFCDLO CN1CCCc2cc(CNC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc21 ZINC000263977423 509260022 /nfs/dbraw/zinc/26/00/22/509260022.db2.gz ZRKJTYQMUCZEQV-QGZVFWFLSA-N 1 2 353.470 2.881 20 10 FFCDLO COCCN(Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(OC)c(OC)c1 ZINC000267587847 509553620 /nfs/dbraw/zinc/55/36/20/509553620.db2.gz IAZBFWVJGBXNEA-UHFFFAOYSA-N 1 2 368.437 2.938 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1O ZINC000186167229 509557297 /nfs/dbraw/zinc/55/72/97/509557297.db2.gz CFMZMILFCGIIAW-ZJUUUORDSA-N 1 2 367.298 2.631 20 10 FFCDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000179882718 509659902 /nfs/dbraw/zinc/65/99/02/509659902.db2.gz HUJWNQZQTYJAGB-LLVKDONJSA-N 1 2 354.859 2.886 20 10 FFCDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000179882718 509659908 /nfs/dbraw/zinc/65/99/08/509659908.db2.gz HUJWNQZQTYJAGB-LLVKDONJSA-N 1 2 354.859 2.886 20 10 FFCDLO CCOCc1cc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)ccc1OC ZINC000267950172 509683531 /nfs/dbraw/zinc/68/35/31/509683531.db2.gz SXBFUZBQIYUVCE-KRWDZBQOSA-N 1 2 361.463 2.850 20 10 FFCDLO COc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)ccc1OCCO ZINC000276967689 510951180 /nfs/dbraw/zinc/95/11/80/510951180.db2.gz SWWKBUOHSQGIRC-LLVKDONJSA-N 1 2 353.365 2.901 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cn(C)nc3C(F)F)CC2)cc1F ZINC000274525847 511863672 /nfs/dbraw/zinc/86/36/72/511863672.db2.gz ZUWMMFUFHPULKI-UHFFFAOYSA-N 1 2 354.376 2.828 20 10 FFCDLO CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nc(-c2nc[nH]n2)no1 ZINC000293539282 512002363 /nfs/dbraw/zinc/00/23/63/512002363.db2.gz FSXGZNLVWHVHLI-GFCCVEGCSA-N 1 2 366.784 2.840 20 10 FFCDLO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c(O)c1O ZINC000378561895 512824582 /nfs/dbraw/zinc/82/45/82/512824582.db2.gz VJZNTNNPVCXMRR-HNNXBMFYSA-N 1 2 355.369 2.798 20 10 FFCDLO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc(Br)c2O)N1 ZINC000054681265 728090906 /nfs/dbraw/zinc/09/09/06/728090906.db2.gz SKGQAVUQNZHGSE-CYBMUJFWSA-N 1 2 358.199 2.601 20 10 FFCDLO O=C(CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1)NC1CCCCC1 ZINC000093053844 728473635 /nfs/dbraw/zinc/47/36/35/728473635.db2.gz NLVONZXVSGWVCA-UHFFFAOYSA-N 1 2 365.905 2.612 20 10 FFCDLO Oc1c(Br)cccc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000131310402 728722023 /nfs/dbraw/zinc/72/20/23/728722023.db2.gz SVOUSLPZEUIVKI-UHFFFAOYSA-N 1 2 364.243 2.998 20 10 FFCDLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000856595268 730346600 /nfs/dbraw/zinc/34/66/00/730346600.db2.gz RWPLCBLKLMOICP-KRWDZBQOSA-N 1 2 369.824 2.700 20 10 FFCDLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000856595268 730346602 /nfs/dbraw/zinc/34/66/02/730346602.db2.gz RWPLCBLKLMOICP-KRWDZBQOSA-N 1 2 369.824 2.700 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000781897643 738669374 /nfs/dbraw/zinc/66/93/74/738669374.db2.gz RRJOZPMLAJJCBS-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000883082077 733329363 /nfs/dbraw/zinc/32/93/63/733329363.db2.gz VZCZIZVWAYEMFB-IUODEOHRSA-N 1 2 360.223 2.722 20 10 FFCDLO O=C1[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCN1C1CCC1 ZINC000883191486 733348743 /nfs/dbraw/zinc/34/87/43/733348743.db2.gz CDNOXRSVHRETFD-CYBMUJFWSA-N 1 2 357.223 2.537 20 10 FFCDLO COC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H]1CCCOC1 ZINC000886355507 733776517 /nfs/dbraw/zinc/77/65/17/733776517.db2.gz JPGZILVVPULBJV-IINYFYTJSA-N 1 2 362.239 2.825 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000893995360 734784081 /nfs/dbraw/zinc/78/40/81/734784081.db2.gz VLGTVFVHIUCVQI-JTQLQIEISA-N 1 2 360.223 2.879 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000893995360 734784083 /nfs/dbraw/zinc/78/40/83/734784083.db2.gz VLGTVFVHIUCVQI-JTQLQIEISA-N 1 2 360.223 2.879 20 10 FFCDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894014555 734786750 /nfs/dbraw/zinc/78/67/50/734786750.db2.gz MQLUVBJZCQBXGT-ZDUSSCGKSA-N 1 2 371.250 2.881 20 10 FFCDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894014555 734786752 /nfs/dbraw/zinc/78/67/52/734786752.db2.gz MQLUVBJZCQBXGT-ZDUSSCGKSA-N 1 2 371.250 2.881 20 10 FFCDLO O=C1OCCN1C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000895340442 734993003 /nfs/dbraw/zinc/99/30/03/734993003.db2.gz SGOMZBSESFFPJC-UHFFFAOYSA-N 1 2 373.222 2.710 20 10 FFCDLO COc1cc(Br)cc(C[NH2+]Cc2nc(C(F)F)no2)c1O ZINC000895727960 735048823 /nfs/dbraw/zinc/04/88/23/735048823.db2.gz YDGWISGYPFDNHP-UHFFFAOYSA-N 1 2 364.146 2.774 20 10 FFCDLO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000756129895 736309809 /nfs/dbraw/zinc/30/98/09/736309809.db2.gz QXWVUONMFYEWPN-UHFFFAOYSA-N 1 2 360.907 2.728 20 10 FFCDLO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000757659793 736417306 /nfs/dbraw/zinc/41/73/06/736417306.db2.gz QATZKEBWEDCKEN-OTYXRUKQSA-N 1 2 362.239 2.732 20 10 FFCDLO COc1ccc2c(c1)CCCC[N@H+]2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000766270823 737213923 /nfs/dbraw/zinc/21/39/23/737213923.db2.gz UTPJEHZKLPPYBY-OAHLLOKOSA-N 1 2 352.500 2.510 20 10 FFCDLO COc1ccc2c(c1)CCCC[N@@H+]2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000766270823 737213926 /nfs/dbraw/zinc/21/39/26/737213926.db2.gz UTPJEHZKLPPYBY-OAHLLOKOSA-N 1 2 352.500 2.510 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000775146930 738065382 /nfs/dbraw/zinc/06/53/82/738065382.db2.gz RRINCJIJSIGBJG-UHFFFAOYSA-N 1 2 363.259 2.703 20 10 FFCDLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775663584 738110221 /nfs/dbraw/zinc/11/02/21/738110221.db2.gz OGYWIASKKRUXPV-VXGBXAGGSA-N 1 2 358.841 2.548 20 10 FFCDLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775663584 738110222 /nfs/dbraw/zinc/11/02/22/738110222.db2.gz OGYWIASKKRUXPV-VXGBXAGGSA-N 1 2 358.841 2.548 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1O ZINC000932780280 739516646 /nfs/dbraw/zinc/51/66/46/739516646.db2.gz PQFIPPUBBDNLKO-HNNXBMFYSA-N 1 2 352.818 2.569 20 10 FFCDLO C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C(=O)N1CCCC1 ZINC000798937283 740375320 /nfs/dbraw/zinc/37/53/20/740375320.db2.gz PXTLSNMOVKZQRI-UWVGGRQHSA-N 1 2 359.239 2.955 20 10 FFCDLO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1O ZINC000809747892 741339318 /nfs/dbraw/zinc/33/93/18/741339318.db2.gz HULCRXQBSPLSRV-GFCCVEGCSA-N 1 2 369.820 2.840 20 10 FFCDLO Oc1c(Cl)cccc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825306053 743246115 /nfs/dbraw/zinc/24/61/15/743246115.db2.gz ZADPBWJRDBULHW-UHFFFAOYSA-N 1 2 350.846 2.973 20 10 FFCDLO Oc1c(Cl)cccc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825306053 743246120 /nfs/dbraw/zinc/24/61/20/743246120.db2.gz ZADPBWJRDBULHW-UHFFFAOYSA-N 1 2 350.846 2.973 20 10 FFCDLO COC1CCN(c2ccc(C[N@@H+]3CC[S@](=O)CC3(C)C)cc2)CC1 ZINC000829078251 745163225 /nfs/dbraw/zinc/16/32/25/745163225.db2.gz ZPSPISKUJAPWTD-DEOSSOPVSA-N 1 2 350.528 2.645 20 10 FFCDLO COC1CCN(c2ccc(C[N@H+]3CC[S@](=O)CC3(C)C)cc2)CC1 ZINC000829078251 745163233 /nfs/dbraw/zinc/16/32/33/745163233.db2.gz ZPSPISKUJAPWTD-DEOSSOPVSA-N 1 2 350.528 2.645 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829106072 745166235 /nfs/dbraw/zinc/16/62/35/745166235.db2.gz GWHPZMJMRCDPIJ-IFXJQAMLSA-N 1 2 359.857 2.639 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829106072 745166236 /nfs/dbraw/zinc/16/62/36/745166236.db2.gz GWHPZMJMRCDPIJ-IFXJQAMLSA-N 1 2 359.857 2.639 20 10 FFCDLO C[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1O ZINC000841765436 747453520 /nfs/dbraw/zinc/45/35/20/747453520.db2.gz YCINUTKJFFGTJK-ZDUSSCGKSA-N 1 2 353.894 2.639 20 10 FFCDLO CCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1=O ZINC000846208827 748431187 /nfs/dbraw/zinc/43/11/87/748431187.db2.gz MEBXEQKSMAFUFC-ZJUUUORDSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)cc(F)c1O ZINC000848573404 748963679 /nfs/dbraw/zinc/96/36/79/748963679.db2.gz ZMPUOXFBQHYJTP-LDYMZIIASA-N 1 2 373.222 2.928 20 10 FFCDLO Fc1cc(CNc2cc(NC3CC3)[nH+]cn2)cc(F)c1N1CCOCC1 ZINC000840325471 971078177 /nfs/dbraw/zinc/07/81/77/971078177.db2.gz FIVHLUIWPTWQJW-UHFFFAOYSA-N 1 2 361.396 2.778 20 10 FFCDLO Fc1cc(CNc2cc(NC3CC3)nc[nH+]2)cc(F)c1N1CCOCC1 ZINC000840325471 971078186 /nfs/dbraw/zinc/07/81/86/971078186.db2.gz FIVHLUIWPTWQJW-UHFFFAOYSA-N 1 2 361.396 2.778 20 10 FFCDLO COc1ccc(N2CC[NH+](C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)c(OC)c1 ZINC001175525150 1013498790 /nfs/dbraw/zinc/49/87/90/1013498790.db2.gz ZFSKCRCYIPRJMY-PBHICJAKSA-N 1 2 374.403 2.936 20 10 FFCDLO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)Cc1nc(N)nc(N)n1 ZINC000176682622 966610864 /nfs/dbraw/zinc/61/08/64/966610864.db2.gz WMLAVVJMZMCWOR-CYBMUJFWSA-N 1 2 350.426 2.505 20 10 FFCDLO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)Cc1nc(N)nc(N)n1 ZINC000176682622 966610868 /nfs/dbraw/zinc/61/08/68/966610868.db2.gz WMLAVVJMZMCWOR-CYBMUJFWSA-N 1 2 350.426 2.505 20 10 FFCDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)c1 ZINC000825737361 1013835079 /nfs/dbraw/zinc/83/50/79/1013835079.db2.gz ZWEPDZORMDLCRR-ZDUSSCGKSA-N 1 2 374.412 2.765 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000796580613 1014411075 /nfs/dbraw/zinc/41/10/75/1014411075.db2.gz RFXWCXPZKZWHJB-OXJNMPFZSA-N 1 2 374.456 2.888 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000796580613 1014411078 /nfs/dbraw/zinc/41/10/78/1014411078.db2.gz RFXWCXPZKZWHJB-OXJNMPFZSA-N 1 2 374.456 2.888 20 10 FFCDLO Cc1cc(CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c(C)n1-c1ccccc1 ZINC000913456410 984269243 /nfs/dbraw/zinc/26/92/43/984269243.db2.gz PIDAUFMKKMYUOF-FQEVSTJZSA-N 1 2 363.465 2.533 20 10 FFCDLO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000179921164 991371579 /nfs/dbraw/zinc/37/15/79/991371579.db2.gz MLDCJERAEVUCNB-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000179907054 991372381 /nfs/dbraw/zinc/37/23/81/991372381.db2.gz QZDRAWVARXLHBO-AWEZNQCLSA-N 1 2 359.445 2.867 20 10 FFCDLO CCOC(=O)c1c(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cnn1C ZINC001136909209 997036224 /nfs/dbraw/zinc/03/62/24/997036224.db2.gz WEARQSKTKYHQMD-UHFFFAOYSA-N 1 2 356.470 2.829 20 10 FFCDLO CCOC(=O)c1c(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)cnn1C ZINC001136909209 997036236 /nfs/dbraw/zinc/03/62/36/997036236.db2.gz WEARQSKTKYHQMD-UHFFFAOYSA-N 1 2 356.470 2.829 20 10 FFCDLO CCc1ccsc1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742916046 999793504 /nfs/dbraw/zinc/79/35/04/999793504.db2.gz ALMWLGFWJZXJTF-UHFFFAOYSA-N 1 2 373.522 2.871 20 10 FFCDLO CN(C)c1ccc(-c2nc(C(=O)NCCc3cn(C)c[nH+]3)cs2)cc1 ZINC001193175231 1004386141 /nfs/dbraw/zinc/38/61/41/1004386141.db2.gz AHPBJJWRHLHHQG-UHFFFAOYSA-N 1 2 355.467 2.582 20 10 FFCDLO CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(O)c(O)c(Cl)c2)CC1 ZINC001193633829 1004530133 /nfs/dbraw/zinc/53/01/33/1004530133.db2.gz IDQJCQRMYMVQGY-UHFFFAOYSA-N 1 2 368.861 2.561 20 10 FFCDLO O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CCc2[nH+]ccn2C1 ZINC000776427492 1005665438 /nfs/dbraw/zinc/66/54/38/1005665438.db2.gz PHAATEVBHULYER-AWEZNQCLSA-N 1 2 358.405 2.794 20 10 FFCDLO C[C@H](C(=O)N(C)Cc1ccccc1O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000109952577 1005877983 /nfs/dbraw/zinc/87/79/83/1005877983.db2.gz HKWLEYJPLOQGIM-MRXNPFEDSA-N 1 2 371.456 2.700 20 10 FFCDLO CCCNc1cc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nc[nH+]1 ZINC000884692937 1007510102 /nfs/dbraw/zinc/51/01/02/1007510102.db2.gz FJXZUFJYIWZUPB-UHFFFAOYSA-N 1 2 368.485 2.612 20 10 FFCDLO CCCNc1cc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[nH+]cn1 ZINC000884692937 1007510107 /nfs/dbraw/zinc/51/01/07/1007510107.db2.gz FJXZUFJYIWZUPB-UHFFFAOYSA-N 1 2 368.485 2.612 20 10 FFCDLO O=C(Nc1c(C2=S=CC=C2)nc2ccccn21)c1cccc2[nH+]ccn21 ZINC000776874080 1007674744 /nfs/dbraw/zinc/67/47/44/1007674744.db2.gz BGVFEEJMTKEWGM-UHFFFAOYSA-N 1 2 359.414 2.860 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000858526570 1008374856 /nfs/dbraw/zinc/37/48/56/1008374856.db2.gz FIKJNDJKQIUFOX-DGCLKSJQSA-N 1 2 372.412 2.957 20 10 FFCDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391752 1008451692 /nfs/dbraw/zinc/45/16/92/1008451692.db2.gz QYJTZUVLZIFDRL-MRXNPFEDSA-N 1 2 373.453 2.782 20 10 FFCDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391752 1008451693 /nfs/dbraw/zinc/45/16/93/1008451693.db2.gz QYJTZUVLZIFDRL-MRXNPFEDSA-N 1 2 373.453 2.782 20 10 FFCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001178208320 1008909086 /nfs/dbraw/zinc/90/90/86/1008909086.db2.gz QGAHPGDKRLBRJK-INIZCTEOSA-N 1 2 361.511 2.996 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)Nc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000823123993 1008928424 /nfs/dbraw/zinc/92/84/24/1008928424.db2.gz CADSDBHBWCOEHW-HNNXBMFYSA-N 1 2 351.410 2.743 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000861663741 1009500642 /nfs/dbraw/zinc/50/06/42/1009500642.db2.gz NRHPBQBFSAYEHB-SFHVURJKSA-N 1 2 362.433 2.848 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc(F)cc(F)c1O ZINC000866492115 1011003024 /nfs/dbraw/zinc/00/30/24/1011003024.db2.gz DLLYDBIYKYWPER-NZVBXONLSA-N 1 2 372.412 2.691 20 10 FFCDLO CC(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275230076 1012111430 /nfs/dbraw/zinc/11/14/30/1012111430.db2.gz UZDGVKBHTBQRQM-LJQANCHMSA-N 1 2 366.408 2.668 20 10 FFCDLO CC(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275230076 1012111441 /nfs/dbraw/zinc/11/14/41/1012111441.db2.gz UZDGVKBHTBQRQM-LJQANCHMSA-N 1 2 366.408 2.668 20 10 FFCDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCc2ccccc2O)c1 ZINC000748345865 1017112882 /nfs/dbraw/zinc/11/28/82/1017112882.db2.gz FDPWJAMNSXFOPB-UHFFFAOYSA-N 1 2 364.405 2.548 20 10 FFCDLO C[C@@H]1CN(c2ccc(CNC(=O)CCCn3cc[nH+]c3)cc2F)C[C@H](C)O1 ZINC000748625379 1017453170 /nfs/dbraw/zinc/45/31/70/1017453170.db2.gz ZPPMPPSUDHBFIP-IYBDPMFKSA-N 1 2 374.460 2.732 20 10 FFCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(F)cc3F)C1)[C@@H](O)CO2 ZINC000777570930 1017810271 /nfs/dbraw/zinc/81/02/71/1017810271.db2.gz ZVVCVRFECQSSBY-HKUYNNGSSA-N 1 2 363.360 2.670 20 10 FFCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(F)cc3F)C1)[C@@H](O)CO2 ZINC000777570930 1017810288 /nfs/dbraw/zinc/81/02/88/1017810288.db2.gz ZVVCVRFECQSSBY-HKUYNNGSSA-N 1 2 363.360 2.670 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CCc2cnccn2)c(C)n1-c1ccc(F)cn1 ZINC000828603466 1032773760 /nfs/dbraw/zinc/77/37/60/1032773760.db2.gz CXWLVJFRYDPTNA-UHFFFAOYSA-N 1 2 367.428 2.775 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CCc2cnccn2)c(C)n1-c1ccc(F)cn1 ZINC000828603466 1032773780 /nfs/dbraw/zinc/77/37/80/1032773780.db2.gz CXWLVJFRYDPTNA-UHFFFAOYSA-N 1 2 367.428 2.775 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000750746859 1022463891 /nfs/dbraw/zinc/46/38/91/1022463891.db2.gz NAGXFMYMVPXHAG-OAHLLOKOSA-N 1 2 359.445 2.684 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000750746859 1022463900 /nfs/dbraw/zinc/46/39/00/1022463900.db2.gz NAGXFMYMVPXHAG-OAHLLOKOSA-N 1 2 359.445 2.684 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000756742821 1023751739 /nfs/dbraw/zinc/75/17/39/1023751739.db2.gz PJOMIUYNLVOXGO-ZDUSSCGKSA-N 1 2 352.394 2.610 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000759111448 1024473203 /nfs/dbraw/zinc/47/32/03/1024473203.db2.gz PAMQMDCYOHWFPZ-HXUWFJFHSA-N 1 2 353.466 2.641 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(CC(C)C)C3CC3)CC2)cc1F ZINC000084866832 1025152530 /nfs/dbraw/zinc/15/25/30/1025152530.db2.gz GBCQDMIOVZFUJH-UHFFFAOYSA-N 1 2 363.477 2.603 20 10 FFCDLO COC(=O)c1cccc2c1C[N@H+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141144208 1025517863 /nfs/dbraw/zinc/51/78/63/1025517863.db2.gz DYDDYQYQFIZLJU-UHFFFAOYSA-N 1 2 352.434 2.860 20 10 FFCDLO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141144208 1025517871 /nfs/dbraw/zinc/51/78/71/1025517871.db2.gz DYDDYQYQFIZLJU-UHFFFAOYSA-N 1 2 352.434 2.860 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000839921736 1026866126 /nfs/dbraw/zinc/86/61/26/1026866126.db2.gz MFTJUQWQXXDSER-LAUBAEHRSA-N 1 2 373.541 2.752 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000839921736 1026866132 /nfs/dbraw/zinc/86/61/32/1026866132.db2.gz MFTJUQWQXXDSER-LAUBAEHRSA-N 1 2 373.541 2.752 20 10 FFCDLO Oc1ccc(Cl)cc1CN1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001203659662 1030813896 /nfs/dbraw/zinc/81/38/96/1030813896.db2.gz XBQLBPCUVWGIBT-HNAYVOBHSA-N 1 2 362.857 2.971 20 10 FFCDLO Oc1ccc(Cl)cc1CN1C[C@@H]2C[N@@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001203659662 1030813912 /nfs/dbraw/zinc/81/39/12/1030813912.db2.gz XBQLBPCUVWGIBT-HNAYVOBHSA-N 1 2 362.857 2.971 20 10 FFCDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203659549 1030814738 /nfs/dbraw/zinc/81/47/38/1030814738.db2.gz WVCOKVHTKHMAQF-IBGZPJMESA-N 1 2 366.889 2.895 20 10 FFCDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC001203659549 1030814744 /nfs/dbraw/zinc/81/47/44/1030814744.db2.gz WVCOKVHTKHMAQF-IBGZPJMESA-N 1 2 366.889 2.895 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)cc1O ZINC001203876782 1030950300 /nfs/dbraw/zinc/95/03/00/1030950300.db2.gz JDLPRKVLLQSWAK-UHFFFAOYSA-N 1 2 362.433 2.910 20 10 FFCDLO Oc1ccc(C[N@H+]2CCN(Cc3ccncc3)c3ncccc3C2)cc1O ZINC001203876782 1030950316 /nfs/dbraw/zinc/95/03/16/1030950316.db2.gz JDLPRKVLLQSWAK-UHFFFAOYSA-N 1 2 362.433 2.910 20 10 FFCDLO CC(C)N(C)C(=O)c1noc2c1C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203931083 1030990554 /nfs/dbraw/zinc/99/05/54/1030990554.db2.gz BALKLOTYALGWKN-UHFFFAOYSA-N 1 2 356.470 2.779 20 10 FFCDLO CC(C)N(C)C(=O)c1noc2c1C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203931083 1030990561 /nfs/dbraw/zinc/99/05/61/1030990561.db2.gz BALKLOTYALGWKN-UHFFFAOYSA-N 1 2 356.470 2.779 20 10 FFCDLO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)C1 ZINC001218918413 1033408812 /nfs/dbraw/zinc/40/88/12/1033408812.db2.gz CERJEDWWZXLIES-VXGBXAGGSA-N 1 2 364.401 2.624 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001139133298 1034962230 /nfs/dbraw/zinc/96/22/30/1034962230.db2.gz GXTDBCNQYYIRJO-AWEZNQCLSA-N 1 2 352.390 2.855 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001139133298 1034962238 /nfs/dbraw/zinc/96/22/38/1034962238.db2.gz GXTDBCNQYYIRJO-AWEZNQCLSA-N 1 2 352.390 2.855 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001139133753 1034962465 /nfs/dbraw/zinc/96/24/65/1034962465.db2.gz OLYTZBWWKVLACY-CQSZACIVSA-N 1 2 367.405 2.559 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001139133753 1034962473 /nfs/dbraw/zinc/96/24/73/1034962473.db2.gz OLYTZBWWKVLACY-CQSZACIVSA-N 1 2 367.405 2.559 20 10 FFCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001140055354 1035324761 /nfs/dbraw/zinc/32/47/61/1035324761.db2.gz FAJCLGWSFJUNCH-RYQLBKOJSA-N 1 2 362.376 2.876 20 10 FFCDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001140055354 1035324764 /nfs/dbraw/zinc/32/47/64/1035324764.db2.gz FAJCLGWSFJUNCH-RYQLBKOJSA-N 1 2 362.376 2.876 20 10 FFCDLO Cc1ccc(C)c(C[NH+]2CCN(c3ccccc3S(C)(=O)=O)CC2)c1O ZINC001140185205 1035372218 /nfs/dbraw/zinc/37/22/18/1035372218.db2.gz RQKXRKALZLSTAD-UHFFFAOYSA-N 1 2 374.506 2.735 20 10 FFCDLO CCC[N@H+](CC(=O)OCC)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232200269 1035495930 /nfs/dbraw/zinc/49/59/30/1035495930.db2.gz RMEMWBAYNZOQPB-UHFFFAOYSA-N 1 2 354.878 2.952 20 10 FFCDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232200269 1035495932 /nfs/dbraw/zinc/49/59/32/1035495932.db2.gz RMEMWBAYNZOQPB-UHFFFAOYSA-N 1 2 354.878 2.952 20 10 FFCDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000835070373 1035506712 /nfs/dbraw/zinc/50/67/12/1035506712.db2.gz TWCOZYOCUJOUGQ-UHFFFAOYSA-N 1 2 372.377 2.654 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(OC2CC[NH+](CC)CC2)c1O ZINC001227493851 1035580784 /nfs/dbraw/zinc/58/07/84/1035580784.db2.gz LEVFUIRYUSMJFO-UHFFFAOYSA-N 1 2 371.455 2.670 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H]2CC[N@@H+](C(C)C)C2)c1O ZINC001227494112 1035582854 /nfs/dbraw/zinc/58/28/54/1035582854.db2.gz PIKZNHBOXKLMPL-LLVKDONJSA-N 1 2 371.455 2.669 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H]2CC[N@H+](C(C)C)C2)c1O ZINC001227494112 1035582863 /nfs/dbraw/zinc/58/28/63/1035582863.db2.gz PIKZNHBOXKLMPL-LLVKDONJSA-N 1 2 371.455 2.669 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001140581393 1035661626 /nfs/dbraw/zinc/66/16/26/1035661626.db2.gz QYDQZJNNLIDBSL-LJQANCHMSA-N 1 2 360.408 2.953 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001140581393 1035661627 /nfs/dbraw/zinc/66/16/27/1035661627.db2.gz QYDQZJNNLIDBSL-LJQANCHMSA-N 1 2 360.408 2.953 20 10 FFCDLO COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3c(O)cc(F)cc3F)CC2)C1 ZINC001140585967 1035670450 /nfs/dbraw/zinc/67/04/50/1035670450.db2.gz XNYJSYFDRLNDGE-ZDUSSCGKSA-N 1 2 368.424 2.520 20 10 FFCDLO COC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3c(O)cc(F)cc3F)CC2)C1 ZINC001140585967 1035670458 /nfs/dbraw/zinc/67/04/58/1035670458.db2.gz XNYJSYFDRLNDGE-ZDUSSCGKSA-N 1 2 368.424 2.520 20 10 FFCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1cc(C)ccc1O ZINC001140622241 1035748326 /nfs/dbraw/zinc/74/83/26/1035748326.db2.gz ZEGDFAYREIGTTQ-GOSISDBHSA-N 1 2 356.470 2.714 20 10 FFCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1cc(C)ccc1O ZINC001140622241 1035748341 /nfs/dbraw/zinc/74/83/41/1035748341.db2.gz ZEGDFAYREIGTTQ-GOSISDBHSA-N 1 2 356.470 2.714 20 10 FFCDLO O=C1CCCC2(CC[NH+](Cc3c(O)cc(Br)cc3F)CC2)N1 ZINC001233029522 1036267528 /nfs/dbraw/zinc/26/75/28/1036267528.db2.gz OHABUURMTJFSQB-UHFFFAOYSA-N 1 2 371.250 2.929 20 10 FFCDLO Oc1c(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)ccc(F)c1F ZINC001233076919 1036322244 /nfs/dbraw/zinc/32/22/44/1036322244.db2.gz IGHQJFUWCGWSPM-FUHWJXTLSA-N 1 2 366.452 2.993 20 10 FFCDLO Oc1c(CN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)ccc(F)c1F ZINC001233076919 1036322262 /nfs/dbraw/zinc/32/22/62/1036322262.db2.gz IGHQJFUWCGWSPM-FUHWJXTLSA-N 1 2 366.452 2.993 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)ncn1 ZINC001233419123 1036613563 /nfs/dbraw/zinc/61/35/63/1036613563.db2.gz KHBUNJCFMPWUQO-UHFFFAOYSA-N 1 2 368.359 2.532 20 10 FFCDLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141030848 1036774853 /nfs/dbraw/zinc/77/48/53/1036774853.db2.gz NNDJSCYORLDJQL-KRWDZBQOSA-N 1 2 359.422 2.626 20 10 FFCDLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141030848 1036774874 /nfs/dbraw/zinc/77/48/74/1036774874.db2.gz NNDJSCYORLDJQL-KRWDZBQOSA-N 1 2 359.422 2.626 20 10 FFCDLO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235069999 1037339813 /nfs/dbraw/zinc/33/98/13/1037339813.db2.gz ZGTHSJAIZQEIHQ-ONGXEEELSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235069999 1037339831 /nfs/dbraw/zinc/33/98/31/1037339831.db2.gz ZGTHSJAIZQEIHQ-ONGXEEELSA-N 1 2 360.223 2.925 20 10 FFCDLO O=C1CCC[C@]2(CCC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)N1 ZINC001235297837 1037459620 /nfs/dbraw/zinc/45/96/20/1037459620.db2.gz KYZWGVADGZBZGO-MRXNPFEDSA-N 1 2 371.250 2.929 20 10 FFCDLO O=C1CCC[C@]2(CCC[N@H+](Cc3cc(F)cc(Br)c3O)C2)N1 ZINC001235297837 1037459625 /nfs/dbraw/zinc/45/96/25/1037459625.db2.gz KYZWGVADGZBZGO-MRXNPFEDSA-N 1 2 371.250 2.929 20 10 FFCDLO CCOCCN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277508157 1037540770 /nfs/dbraw/zinc/54/07/70/1037540770.db2.gz UUJQAXSANQTLRL-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO CCOCCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277508157 1037540784 /nfs/dbraw/zinc/54/07/84/1037540784.db2.gz UUJQAXSANQTLRL-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO CC(C)CN1C[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277509912 1037549968 /nfs/dbraw/zinc/54/99/68/1037549968.db2.gz JTMVVJBXLXLDTR-GOSISDBHSA-N 1 2 370.852 2.644 20 10 FFCDLO CC(C)CN1C[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277509912 1037549972 /nfs/dbraw/zinc/54/99/72/1037549972.db2.gz JTMVVJBXLXLDTR-GOSISDBHSA-N 1 2 370.852 2.644 20 10 FFCDLO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910921 1038006370 /nfs/dbraw/zinc/00/63/70/1038006370.db2.gz ZKXOLAOXIBPFNL-BEFAXECRSA-N 1 2 366.889 2.656 20 10 FFCDLO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910921 1038006394 /nfs/dbraw/zinc/00/63/94/1038006394.db2.gz ZKXOLAOXIBPFNL-BEFAXECRSA-N 1 2 366.889 2.656 20 10 FFCDLO O=C(NCC(F)(F)F)N1CCC12C[NH+](Cc1ccc(Cl)cc1O)C2 ZINC001278558212 1041151754 /nfs/dbraw/zinc/15/17/54/1041151754.db2.gz HEYSQJGLDXFUFR-UHFFFAOYSA-N 1 2 363.767 2.578 20 10 FFCDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccccc1O ZINC001263369427 1042266998 /nfs/dbraw/zinc/26/69/98/1042266998.db2.gz UZHJWCMGRRXKBN-KRWDZBQOSA-N 1 2 373.501 2.813 20 10 FFCDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccccc1O ZINC001263369427 1042267004 /nfs/dbraw/zinc/26/70/04/1042267004.db2.gz UZHJWCMGRRXKBN-KRWDZBQOSA-N 1 2 373.501 2.813 20 10 FFCDLO COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001279492004 1043177590 /nfs/dbraw/zinc/17/75/90/1043177590.db2.gz ZWROIVKMSGQAGR-UHFFFAOYSA-N 1 2 370.440 2.579 20 10 FFCDLO COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001279492004 1043177595 /nfs/dbraw/zinc/17/75/95/1043177595.db2.gz ZWROIVKMSGQAGR-UHFFFAOYSA-N 1 2 370.440 2.579 20 10 FFCDLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319687812 1045240128 /nfs/dbraw/zinc/24/01/28/1045240128.db2.gz UQBRGWRJSIWVAL-UHFFFAOYSA-N 1 2 372.557 2.663 20 10 FFCDLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319687812 1045240137 /nfs/dbraw/zinc/24/01/37/1045240137.db2.gz UQBRGWRJSIWVAL-UHFFFAOYSA-N 1 2 372.557 2.663 20 10 FFCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)CC1(O)CCOCC1 ZINC001333715921 1049075146 /nfs/dbraw/zinc/07/51/46/1049075146.db2.gz VJWZQAVQBIKVDQ-UHFFFAOYSA-N 1 2 364.667 2.781 20 10 FFCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)CC1(O)CCOCC1 ZINC001333715921 1049075155 /nfs/dbraw/zinc/07/51/55/1049075155.db2.gz VJWZQAVQBIKVDQ-UHFFFAOYSA-N 1 2 364.667 2.781 20 10 FFCDLO Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001343355401 1052181195 /nfs/dbraw/zinc/18/11/95/1052181195.db2.gz ZRGIQQBAJZNLNS-UHFFFAOYSA-N 1 2 359.493 2.605 20 10 FFCDLO COC(=O)C=Cc1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000751234830 1052186826 /nfs/dbraw/zinc/18/68/26/1052186826.db2.gz WTAORGFSPPIMMQ-HYXAFXHYSA-N 1 2 356.382 2.888 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)C(=O)CCc1[nH+]ccn1C ZINC001349312339 1055184007 /nfs/dbraw/zinc/18/40/07/1055184007.db2.gz UMNKZMPEZVQIFT-UHFFFAOYSA-N 1 2 366.259 2.870 20 10 FFCDLO COC(=O)[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCC[C@@H](OC)C1 ZINC001338272983 1055377989 /nfs/dbraw/zinc/37/79/89/1055377989.db2.gz DCTYMAZHPMUMNR-YSVLISHTSA-N 1 2 351.443 2.546 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589953357 1080900415 /nfs/dbraw/zinc/90/04/15/1080900415.db2.gz FNPXASHEQRHILA-OLZOCXBDSA-N 1 2 368.416 2.641 20 10 FFCDLO CN(Cc1ccccc1O)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000045184163 506928858 /nfs/dbraw/zinc/92/88/58/506928858.db2.gz WLIYZMZPGTUXKO-IBGZPJMESA-N 1 2 369.465 2.607 20 10 FFCDLO O=C(NCC[NH+]1CCOCC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000078802555 507908929 /nfs/dbraw/zinc/90/89/29/507908929.db2.gz XMQMOJMQKZXZFD-UHFFFAOYSA-N 1 2 361.486 2.569 20 10 FFCDLO COc1cccc(CNC(=O)NCCn2c(C)[nH+]c3ccccc32)c1O ZINC000073534983 507928311 /nfs/dbraw/zinc/92/83/11/507928311.db2.gz NUWHGJLIXJZLRR-UHFFFAOYSA-N 1 2 354.410 2.558 20 10 FFCDLO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000092473496 508073592 /nfs/dbraw/zinc/07/35/92/508073592.db2.gz XRFYSPVBQWYYFN-AWEZNQCLSA-N 1 2 366.285 2.933 20 10 FFCDLO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000092473496 508073591 /nfs/dbraw/zinc/07/35/91/508073591.db2.gz XRFYSPVBQWYYFN-AWEZNQCLSA-N 1 2 366.285 2.933 20 10 FFCDLO O=C(Cc1cn2ccccc2[nH+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117975687 508624742 /nfs/dbraw/zinc/62/47/42/508624742.db2.gz UYIFPXRNMLLIPT-GOSISDBHSA-N 1 2 365.433 2.790 20 10 FFCDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183095940 509593627 /nfs/dbraw/zinc/59/36/27/509593627.db2.gz DSLCYBDCETUOFM-UHFFFAOYSA-N 1 2 363.479 2.838 20 10 FFCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183095940 509593632 /nfs/dbraw/zinc/59/36/32/509593632.db2.gz DSLCYBDCETUOFM-UHFFFAOYSA-N 1 2 363.479 2.838 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000180560378 509984026 /nfs/dbraw/zinc/98/40/26/509984026.db2.gz DGUSYHMOSKYJFK-DZGCQCFKSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000180560378 509984032 /nfs/dbraw/zinc/98/40/32/509984032.db2.gz DGUSYHMOSKYJFK-DZGCQCFKSA-N 1 2 372.259 2.543 20 10 FFCDLO CN(C)c1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1F ZINC000265749240 510209378 /nfs/dbraw/zinc/20/93/78/510209378.db2.gz IOJVMVIJWGROMZ-UHFFFAOYSA-N 1 2 371.456 2.654 20 10 FFCDLO Fc1cc(C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)ccc1N1CCOCC1 ZINC000194990466 510622594 /nfs/dbraw/zinc/62/25/94/510622594.db2.gz FZMSBQRGTXYTPZ-LJQANCHMSA-N 1 2 367.428 2.660 20 10 FFCDLO Fc1cc(CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)ccc1N1CCOCC1 ZINC000194990466 510622602 /nfs/dbraw/zinc/62/26/02/510622602.db2.gz FZMSBQRGTXYTPZ-LJQANCHMSA-N 1 2 367.428 2.660 20 10 FFCDLO C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000276863355 510948396 /nfs/dbraw/zinc/94/83/96/510948396.db2.gz CXPAHJXESJQDLV-CLAHSXSESA-N 1 2 365.302 2.505 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000276907079 510949674 /nfs/dbraw/zinc/94/96/74/510949674.db2.gz OGTXLPTWSLGSIX-PXAZEXFGSA-N 1 2 373.384 2.891 20 10 FFCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000277063831 510953221 /nfs/dbraw/zinc/95/32/21/510953221.db2.gz WKQYRYYIGQYPBG-AWEZNQCLSA-N 1 2 367.829 2.506 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000277063831 510953226 /nfs/dbraw/zinc/95/32/26/510953226.db2.gz WKQYRYYIGQYPBG-AWEZNQCLSA-N 1 2 367.829 2.506 20 10 FFCDLO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCNc1cccc[nH+]1 ZINC000277448099 510963642 /nfs/dbraw/zinc/96/36/42/510963642.db2.gz SPUMCMPCIKBXHO-UHFFFAOYSA-N 1 2 374.828 2.707 20 10 FFCDLO COc1c(O)c(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000278212273 510985285 /nfs/dbraw/zinc/98/52/85/510985285.db2.gz KHSRHAHBQKYRHX-UHFFFAOYSA-N 1 2 373.409 2.996 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000278212273 510985287 /nfs/dbraw/zinc/98/52/87/510985287.db2.gz KHSRHAHBQKYRHX-UHFFFAOYSA-N 1 2 373.409 2.996 20 10 FFCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000279289456 511032461 /nfs/dbraw/zinc/03/24/61/511032461.db2.gz XWWZBOMAWYHOBQ-SFHVURJKSA-N 1 2 356.470 2.616 20 10 FFCDLO CC(C)[N@@H+]1CCc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2C1 ZINC000294847200 511196760 /nfs/dbraw/zinc/19/67/60/511196760.db2.gz BRUNQHMNBKKQQL-UHFFFAOYSA-N 1 2 351.403 2.712 20 10 FFCDLO CC(C)[N@H+]1CCc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2C1 ZINC000294847200 511196762 /nfs/dbraw/zinc/19/67/62/511196762.db2.gz BRUNQHMNBKKQQL-UHFFFAOYSA-N 1 2 351.403 2.712 20 10 FFCDLO COc1ccc(N2CCN(c3[nH+]cnc4c3cnn4C(C)(C)C)CC2)cc1 ZINC000301884919 511702621 /nfs/dbraw/zinc/70/26/21/511702621.db2.gz LTPDWPUGDLWHNH-UHFFFAOYSA-N 1 2 366.469 2.917 20 10 FFCDLO COc1ccc(N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1F ZINC000301834925 511703076 /nfs/dbraw/zinc/70/30/76/511703076.db2.gz TWPKOIOXZLSZKN-UHFFFAOYSA-N 1 2 357.433 2.773 20 10 FFCDLO COc1ccc(N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)cc1F ZINC000301834925 511703084 /nfs/dbraw/zinc/70/30/84/511703084.db2.gz TWPKOIOXZLSZKN-UHFFFAOYSA-N 1 2 357.433 2.773 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1 ZINC000281457553 511856277 /nfs/dbraw/zinc/85/62/77/511856277.db2.gz QYAMNCHFJAWJAM-FQEVSTJZSA-N 1 2 369.513 2.672 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1 ZINC000281457553 511856284 /nfs/dbraw/zinc/85/62/84/511856284.db2.gz QYAMNCHFJAWJAM-FQEVSTJZSA-N 1 2 369.513 2.672 20 10 FFCDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000367530137 512545283 /nfs/dbraw/zinc/54/52/83/512545283.db2.gz AKOPIEHGIQEOIS-OAHLLOKOSA-N 1 2 363.307 2.661 20 10 FFCDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000367530137 512545286 /nfs/dbraw/zinc/54/52/86/512545286.db2.gz AKOPIEHGIQEOIS-OAHLLOKOSA-N 1 2 363.307 2.661 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000376009290 512613998 /nfs/dbraw/zinc/61/39/98/512613998.db2.gz WNBTYBGXBRXQSF-ZBEGNZNMSA-N 1 2 372.259 2.543 20 10 FFCDLO CN(c1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1)S(C)(=O)=O ZINC000898286832 735336735 /nfs/dbraw/zinc/33/67/35/735336735.db2.gz MKWOKFZPSSJXOQ-UHFFFAOYSA-N 1 2 354.859 2.731 20 10 FFCDLO COCC[N@H+]1[C@H](C)CN(Cc2cccc(Br)c2O)C[C@@H]1C ZINC000093479055 728476393 /nfs/dbraw/zinc/47/63/93/728476393.db2.gz NPQWYZZQAGSXMN-BETUJISGSA-N 1 2 357.292 2.696 20 10 FFCDLO COCC[N@@H+]1[C@H](C)CN(Cc2cccc(Br)c2O)C[C@@H]1C ZINC000093479055 728476395 /nfs/dbraw/zinc/47/63/95/728476395.db2.gz NPQWYZZQAGSXMN-BETUJISGSA-N 1 2 357.292 2.696 20 10 FFCDLO C[C@H](N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)C(F)(F)F ZINC000093882978 728478213 /nfs/dbraw/zinc/47/82/13/728478213.db2.gz DTFDSHKVYOPRSS-HNNXBMFYSA-N 1 2 357.420 2.592 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cncc(O)c1 ZINC000134268477 728729423 /nfs/dbraw/zinc/72/94/23/728729423.db2.gz HAABVVIFGZQHPX-OAHLLOKOSA-N 1 2 361.829 2.541 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cncc(O)c1 ZINC000134268477 728729424 /nfs/dbraw/zinc/72/94/24/728729424.db2.gz HAABVVIFGZQHPX-OAHLLOKOSA-N 1 2 361.829 2.541 20 10 FFCDLO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(N2CCOCC2)cc1Cl ZINC000779068893 738433894 /nfs/dbraw/zinc/43/38/94/738433894.db2.gz FQCQFYSIEGCCFB-GFCCVEGCSA-N 1 2 363.845 2.719 20 10 FFCDLO Oc1cccc(Br)c1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000862231194 730678841 /nfs/dbraw/zinc/67/88/41/730678841.db2.gz DZZNKVLIROEMSU-UHFFFAOYSA-N 1 2 368.300 2.929 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1c(O)cccc1Br ZINC000862338221 730689795 /nfs/dbraw/zinc/68/97/95/730689795.db2.gz MYUCPDFFDVPHND-RWSFTLGLSA-N 1 2 354.244 2.928 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1c(O)cccc1Br ZINC000862338221 730689797 /nfs/dbraw/zinc/68/97/97/730689797.db2.gz MYUCPDFFDVPHND-RWSFTLGLSA-N 1 2 354.244 2.928 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1F ZINC000874250003 732031039 /nfs/dbraw/zinc/03/10/39/732031039.db2.gz BRKISAKYKOILLN-AWEZNQCLSA-N 1 2 358.339 2.898 20 10 FFCDLO COCCc1ncc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)s1 ZINC000876807017 732283565 /nfs/dbraw/zinc/28/35/65/732283565.db2.gz WWCJPZCZHXFILD-UHFFFAOYSA-N 1 2 365.474 2.802 20 10 FFCDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@H](CC(F)(F)F)C3)cc2)CC1 ZINC000877640297 732403695 /nfs/dbraw/zinc/40/36/95/732403695.db2.gz XGLHZLOOXAJDTC-QGZVFWFLSA-N 1 2 358.404 2.801 20 10 FFCDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@H](CC(F)(F)F)C3)cc2)CC1 ZINC000877640297 732403697 /nfs/dbraw/zinc/40/36/97/732403697.db2.gz XGLHZLOOXAJDTC-QGZVFWFLSA-N 1 2 358.404 2.801 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)cc(F)c1O ZINC000926947520 738671784 /nfs/dbraw/zinc/67/17/84/738671784.db2.gz KENSLBJWCLSGGL-AQWVNGNSSA-N 1 2 360.223 2.748 20 10 FFCDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781913395 738672226 /nfs/dbraw/zinc/67/22/26/738672226.db2.gz TYDYQKINHZCVRT-GFCCVEGCSA-N 1 2 374.300 2.944 20 10 FFCDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781913395 738672229 /nfs/dbraw/zinc/67/22/29/738672229.db2.gz TYDYQKINHZCVRT-GFCCVEGCSA-N 1 2 374.300 2.944 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)cc(F)c1O ZINC000927142485 738696074 /nfs/dbraw/zinc/69/60/74/738696074.db2.gz CLUCDIDFQGESKH-PSASIEDQSA-N 1 2 369.238 2.630 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000883147243 733342392 /nfs/dbraw/zinc/34/23/92/733342392.db2.gz PEFAHISPJXNAQG-SNVBAGLBSA-N 1 2 353.182 2.723 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)c1O ZINC000783728605 738829915 /nfs/dbraw/zinc/82/99/15/738829915.db2.gz MZPGXKOHKKWVQG-AWEZNQCLSA-N 1 2 355.276 2.810 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+]2CCNC(=O)[C@@H]2CC(C)C)c1O ZINC000783728605 738829920 /nfs/dbraw/zinc/82/99/20/738829920.db2.gz MZPGXKOHKKWVQG-AWEZNQCLSA-N 1 2 355.276 2.810 20 10 FFCDLO O=C(NCCCCn1cc[nH+]c1)NCc1cccc(Br)c1O ZINC000764763481 737046827 /nfs/dbraw/zinc/04/68/27/737046827.db2.gz MIFGVDLMWQYTGB-UHFFFAOYSA-N 1 2 367.247 2.631 20 10 FFCDLO COC(=O)C[N@@H+](Cc1cccc(OC)c1O)Cc1cc(Cl)ccc1O ZINC000769379091 737522584 /nfs/dbraw/zinc/52/25/84/737522584.db2.gz ILKJQNLEPPUSBC-UHFFFAOYSA-N 1 2 365.813 2.935 20 10 FFCDLO COC(=O)C[N@H+](Cc1cccc(OC)c1O)Cc1cc(Cl)ccc1O ZINC000769379091 737522589 /nfs/dbraw/zinc/52/25/89/737522589.db2.gz ILKJQNLEPPUSBC-UHFFFAOYSA-N 1 2 365.813 2.935 20 10 FFCDLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cc(Br)c(F)cc1O ZINC000769983969 737588084 /nfs/dbraw/zinc/58/80/84/737588084.db2.gz BWIJAXNZELXRJG-MRVPVSSYSA-N 1 2 370.226 2.541 20 10 FFCDLO COc1c(O)c(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000775113237 738063103 /nfs/dbraw/zinc/06/31/03/738063103.db2.gz VCVDOIYUAIFGEX-SECBINFHSA-N 1 2 350.375 2.840 20 10 FFCDLO O=C(C[N@H+](Cc1cccc(Cl)c1O)C[C@@H]1CCCO1)N1CCCC1 ZINC000775719474 738117096 /nfs/dbraw/zinc/11/70/96/738117096.db2.gz UOEBZZMPPAOPOE-HNNXBMFYSA-N 1 2 352.862 2.649 20 10 FFCDLO O=C(C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H]1CCCO1)N1CCCC1 ZINC000775719474 738117099 /nfs/dbraw/zinc/11/70/99/738117099.db2.gz UOEBZZMPPAOPOE-HNNXBMFYSA-N 1 2 352.862 2.649 20 10 FFCDLO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000798963601 740377890 /nfs/dbraw/zinc/37/78/90/740377890.db2.gz HVTLREPMCBQBPH-QGZVFWFLSA-N 1 2 359.825 2.976 20 10 FFCDLO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000798963601 740377895 /nfs/dbraw/zinc/37/78/95/740377895.db2.gz HVTLREPMCBQBPH-QGZVFWFLSA-N 1 2 359.825 2.976 20 10 FFCDLO O=Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000815835464 741964648 /nfs/dbraw/zinc/96/46/48/741964648.db2.gz URJWAHCUIFAXMG-OAHLLOKOSA-N 1 2 361.829 2.581 20 10 FFCDLO O=Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000815835464 741964651 /nfs/dbraw/zinc/96/46/51/741964651.db2.gz URJWAHCUIFAXMG-OAHLLOKOSA-N 1 2 361.829 2.581 20 10 FFCDLO O=C(C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCO1)N1CCCC1 ZINC000816515846 742036877 /nfs/dbraw/zinc/03/68/77/742036877.db2.gz MPIPNLMMMWNHPX-CQSZACIVSA-N 1 2 370.852 2.788 20 10 FFCDLO O=C(C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCO1)N1CCCC1 ZINC000816515846 742036883 /nfs/dbraw/zinc/03/68/83/742036883.db2.gz MPIPNLMMMWNHPX-CQSZACIVSA-N 1 2 370.852 2.788 20 10 FFCDLO COc1nccnc1CN[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000823855145 742991059 /nfs/dbraw/zinc/99/10/59/742991059.db2.gz HKYFTLUYJBYALL-OAHLLOKOSA-N 1 2 362.861 2.598 20 10 FFCDLO COc1nccnc1CN[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000823855145 742991062 /nfs/dbraw/zinc/99/10/62/742991062.db2.gz HKYFTLUYJBYALL-OAHLLOKOSA-N 1 2 362.861 2.598 20 10 FFCDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840949974 747239226 /nfs/dbraw/zinc/23/92/26/747239226.db2.gz DNTALATWLFWEHJ-DEOSSOPVSA-N 1 2 373.902 2.630 20 10 FFCDLO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)cc(F)c1O ZINC000846212168 748431771 /nfs/dbraw/zinc/43/17/71/748431771.db2.gz LAFZUYZTXUQCFW-ZUZCIYMTSA-N 1 2 362.239 2.876 20 10 FFCDLO COc1cc(C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c(O)cc1C ZINC000160289739 960632150 /nfs/dbraw/zinc/63/21/50/960632150.db2.gz NIBHGUHZUPCKRO-UHFFFAOYSA-N 1 2 358.413 2.693 20 10 FFCDLO COc1cc(C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c(O)cc1C ZINC000160289739 960632163 /nfs/dbraw/zinc/63/21/63/960632163.db2.gz NIBHGUHZUPCKRO-UHFFFAOYSA-N 1 2 358.413 2.693 20 10 FFCDLO COC(=O)c1c(C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c2cc(F)ccc2n1C ZINC000895011018 967158115 /nfs/dbraw/zinc/15/81/15/967158115.db2.gz DTQZPTFXLVYACP-LBPRGKRZSA-N 1 2 371.416 2.520 20 10 FFCDLO COC(=O)c1c(C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c2cc(F)ccc2n1C ZINC000895011018 967158119 /nfs/dbraw/zinc/15/81/19/967158119.db2.gz DTQZPTFXLVYACP-LBPRGKRZSA-N 1 2 371.416 2.520 20 10 FFCDLO CO[C@H]1C[C@H]2C[N@H+](Cc3cc(F)cc(F)c3O)Cc3cccnc3N2C1 ZINC000895439578 970617330 /nfs/dbraw/zinc/61/73/30/970617330.db2.gz DHQJURMKEFNITF-HOTGVXAUSA-N 1 2 361.392 2.675 20 10 FFCDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)Cc3cccnc3N2C1 ZINC000895439578 970617340 /nfs/dbraw/zinc/61/73/40/970617340.db2.gz DHQJURMKEFNITF-HOTGVXAUSA-N 1 2 361.392 2.675 20 10 FFCDLO Cc1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000898888799 976748988 /nfs/dbraw/zinc/74/89/88/976748988.db2.gz QOMOKHQXGQFMEC-LJQANCHMSA-N 1 2 366.465 2.908 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cn(C)nc3C(F)F)CC2)c(OC)c1 ZINC000877708499 1014692684 /nfs/dbraw/zinc/69/26/84/1014692684.db2.gz NTUVLFCOVQULRQ-UHFFFAOYSA-N 1 2 366.412 2.697 20 10 FFCDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877706533 1014692724 /nfs/dbraw/zinc/69/27/24/1014692724.db2.gz NOFFPNKGHAAGCP-MRXNPFEDSA-N 1 2 365.477 2.991 20 10 FFCDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877706533 1014692733 /nfs/dbraw/zinc/69/27/33/1014692733.db2.gz NOFFPNKGHAAGCP-MRXNPFEDSA-N 1 2 365.477 2.991 20 10 FFCDLO COC(=O)c1coc([C@H](C)[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000877983330 1014796463 /nfs/dbraw/zinc/79/64/63/1014796463.db2.gz KWNDZAZKZLKAPW-AWEZNQCLSA-N 1 2 359.426 2.743 20 10 FFCDLO COC(=O)c1coc([C@H](C)[N@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000877983330 1014796472 /nfs/dbraw/zinc/79/64/72/1014796472.db2.gz KWNDZAZKZLKAPW-AWEZNQCLSA-N 1 2 359.426 2.743 20 10 FFCDLO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000841869741 982266524 /nfs/dbraw/zinc/26/65/24/982266524.db2.gz PTSSVJUZROFIPM-RBUKOAKNSA-N 1 2 374.435 2.834 20 10 FFCDLO C[N@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000841869741 982266529 /nfs/dbraw/zinc/26/65/29/982266529.db2.gz PTSSVJUZROFIPM-RBUKOAKNSA-N 1 2 374.435 2.834 20 10 FFCDLO COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)cc1 ZINC000898007100 982577665 /nfs/dbraw/zinc/57/76/65/982577665.db2.gz MUGFXHSHZGNZEM-MRXNPFEDSA-N 1 2 356.470 2.578 20 10 FFCDLO COC(=O)c1ccc(N2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)cc1 ZINC001142527284 982579923 /nfs/dbraw/zinc/57/99/23/982579923.db2.gz RHGQNDXQUZDYPQ-UHFFFAOYSA-N 1 2 362.376 2.779 20 10 FFCDLO CCC(CC)[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)[NH+]1CCOCC1 ZINC000173132222 985760105 /nfs/dbraw/zinc/76/01/05/985760105.db2.gz UIGXORUGDZYBGM-KUHUBIRLSA-N 1 2 364.486 2.715 20 10 FFCDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000844404151 997864789 /nfs/dbraw/zinc/86/47/89/997864789.db2.gz KPXGZJVPUQBXFF-QZTJIDSGSA-N 1 2 356.466 2.667 20 10 FFCDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000844404151 997864795 /nfs/dbraw/zinc/86/47/95/997864795.db2.gz KPXGZJVPUQBXFF-QZTJIDSGSA-N 1 2 356.466 2.667 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)CN2Cc3ccc(OC)cc3C2=O)cc1 ZINC000844725881 998098362 /nfs/dbraw/zinc/09/83/62/998098362.db2.gz QLKWWXYPWPDUFA-UHFFFAOYSA-N 1 2 369.465 2.685 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)CN2Cc3ccc(OC)cc3C2=O)cc1 ZINC000844725881 998098373 /nfs/dbraw/zinc/09/83/73/998098373.db2.gz QLKWWXYPWPDUFA-UHFFFAOYSA-N 1 2 369.465 2.685 20 10 FFCDLO COc1ccc(N2CC[C@H](COC(=O)Cc3cn4c([nH+]3)CCCC4)C2)cc1 ZINC000845612502 998616528 /nfs/dbraw/zinc/61/65/28/998616528.db2.gz XMVHCFWGDWOSNA-INIZCTEOSA-N 1 2 369.465 2.840 20 10 FFCDLO Cc1cc(C(=O)CN2CC[NH+](CCO)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000737858296 999610023 /nfs/dbraw/zinc/61/00/23/999610023.db2.gz WMYCHFHLYSBRDV-UHFFFAOYSA-N 1 2 369.509 2.504 20 10 FFCDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001169137897 1000024659 /nfs/dbraw/zinc/02/46/59/1000024659.db2.gz XVFFYTCFXQBTFN-NRFANRHFSA-N 1 2 365.477 2.505 20 10 FFCDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001169137897 1000024660 /nfs/dbraw/zinc/02/46/60/1000024660.db2.gz XVFFYTCFXQBTFN-NRFANRHFSA-N 1 2 365.477 2.505 20 10 FFCDLO O=C1OCC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CCN12 ZINC000770394315 1000768134 /nfs/dbraw/zinc/76/81/34/1000768134.db2.gz YROQODHDNWBZJU-INIZCTEOSA-N 1 2 374.441 2.612 20 10 FFCDLO O=C1OCC[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CCN12 ZINC000770394315 1000768139 /nfs/dbraw/zinc/76/81/39/1000768139.db2.gz YROQODHDNWBZJU-INIZCTEOSA-N 1 2 374.441 2.612 20 10 FFCDLO O=C(C[N@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787996583 1001742209 /nfs/dbraw/zinc/74/22/09/1001742209.db2.gz MHTFAVZLKJBQTR-BEFAXECRSA-N 1 2 368.437 2.716 20 10 FFCDLO O=C(C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787996583 1001742215 /nfs/dbraw/zinc/74/22/15/1001742215.db2.gz MHTFAVZLKJBQTR-BEFAXECRSA-N 1 2 368.437 2.716 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(C)n1-c1ccccc1 ZINC000775776024 1004233024 /nfs/dbraw/zinc/23/30/24/1004233024.db2.gz CUGRJWMBLBEEKT-UHFFFAOYSA-N 1 2 362.433 2.831 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCc3n[nH]c(=O)cc3C2)c(C)n1-c1ccccc1 ZINC000775776024 1004233033 /nfs/dbraw/zinc/23/30/33/1004233033.db2.gz CUGRJWMBLBEEKT-UHFFFAOYSA-N 1 2 362.433 2.831 20 10 FFCDLO Cc1c[nH]c(CCNC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)[nH+]1 ZINC001193176204 1004385927 /nfs/dbraw/zinc/38/59/27/1004385927.db2.gz RBMDCLBSZUESPH-UHFFFAOYSA-N 1 2 355.467 2.880 20 10 FFCDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2ncnn21 ZINC000850352153 1005810348 /nfs/dbraw/zinc/81/03/48/1005810348.db2.gz NJRLRWNYJIVNGA-DZGCQCFKSA-N 1 2 356.430 2.972 20 10 FFCDLO C[C@@H](C(=O)N(C)Cc1ccccc1O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000109952575 1005877619 /nfs/dbraw/zinc/87/76/19/1005877619.db2.gz HKWLEYJPLOQGIM-INIZCTEOSA-N 1 2 371.456 2.700 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H]1c1ccc(F)cc1)cc2=O ZINC000852468617 1006041328 /nfs/dbraw/zinc/04/13/28/1006041328.db2.gz PCCSSGFTOSRLPJ-MRXNPFEDSA-N 1 2 370.384 2.698 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H]1c1ccc(F)cc1)cc2=O ZINC000852468617 1006041343 /nfs/dbraw/zinc/04/13/43/1006041343.db2.gz PCCSSGFTOSRLPJ-MRXNPFEDSA-N 1 2 370.384 2.698 20 10 FFCDLO OC1CCN(c2ccc(CNc3cc(N4CCCC4)nc[nH+]3)cc2)CC1 ZINC000853955784 1006600379 /nfs/dbraw/zinc/60/03/79/1006600379.db2.gz JYHCHICSRYMEGX-UHFFFAOYSA-N 1 2 353.470 2.650 20 10 FFCDLO OC1CCN(c2ccc(CNc3cc(N4CCCC4)[nH+]cn3)cc2)CC1 ZINC000853955784 1006600392 /nfs/dbraw/zinc/60/03/92/1006600392.db2.gz JYHCHICSRYMEGX-UHFFFAOYSA-N 1 2 353.470 2.650 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[NH+]3CCC(O)CC3)c2C)cc1 ZINC000026858653 1006666009 /nfs/dbraw/zinc/66/60/09/1006666009.db2.gz CNZCQZRHKOQYFW-UHFFFAOYSA-N 1 2 370.449 2.520 20 10 FFCDLO COc1ccc(O)c(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000114542385 1007952012 /nfs/dbraw/zinc/95/20/12/1007952012.db2.gz OJHFITKBWGFDSW-IBGZPJMESA-N 1 2 372.490 2.807 20 10 FFCDLO CN(C)c1cc(F)c(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1F ZINC000858153891 1008313089 /nfs/dbraw/zinc/31/30/89/1008313089.db2.gz VTEFDVLIWYADQH-UHFFFAOYSA-N 1 2 362.424 2.999 20 10 FFCDLO CCOC(=O)C[N@H+](CCC(=O)Nc1ccccc1F)Cc1ccccc1O ZINC000823581409 1009118647 /nfs/dbraw/zinc/11/86/47/1009118647.db2.gz JKSNSYGWQMRPKP-UHFFFAOYSA-N 1 2 374.412 2.925 20 10 FFCDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccccc1F)Cc1ccccc1O ZINC000823581409 1009118650 /nfs/dbraw/zinc/11/86/50/1009118650.db2.gz JKSNSYGWQMRPKP-UHFFFAOYSA-N 1 2 374.412 2.925 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1F ZINC000823581986 1009120576 /nfs/dbraw/zinc/12/05/76/1009120576.db2.gz VOWNHYTYHJZZQQ-SFHVURJKSA-N 1 2 365.376 2.769 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1F ZINC000823581986 1009120585 /nfs/dbraw/zinc/12/05/85/1009120585.db2.gz VOWNHYTYHJZZQQ-SFHVURJKSA-N 1 2 365.376 2.769 20 10 FFCDLO CCOC(=O)c1cccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)n1 ZINC000862251469 1009764734 /nfs/dbraw/zinc/76/47/34/1009764734.db2.gz FEDMZKCEMDJHJW-UHFFFAOYSA-N 1 2 373.428 2.728 20 10 FFCDLO O=C(CCc1ccc(O)c(O)c1)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274273497 1011347698 /nfs/dbraw/zinc/34/76/98/1011347698.db2.gz WQXCANQMBIQNOG-UHFFFAOYSA-N 1 2 372.387 2.660 20 10 FFCDLO O=C(CCc1ccc(O)c(O)c1)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274273497 1011347711 /nfs/dbraw/zinc/34/77/11/1011347711.db2.gz WQXCANQMBIQNOG-UHFFFAOYSA-N 1 2 372.387 2.660 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000869100348 1011610458 /nfs/dbraw/zinc/61/04/58/1011610458.db2.gz BUNLOJIRUQKZIT-SFHVURJKSA-N 1 2 362.433 2.848 20 10 FFCDLO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229510 1012109014 /nfs/dbraw/zinc/10/90/14/1012109014.db2.gz MTEXHHGSJTUUTE-CWTRNNRKSA-N 1 2 366.408 2.810 20 10 FFCDLO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229510 1012109027 /nfs/dbraw/zinc/10/90/27/1012109027.db2.gz MTEXHHGSJTUUTE-CWTRNNRKSA-N 1 2 366.408 2.810 20 10 FFCDLO CCCOC1CCC([NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)CC1 ZINC001173087862 1012253061 /nfs/dbraw/zinc/25/30/61/1012253061.db2.gz QBDFQOHQJVMECT-GPANFISMSA-N 1 2 351.443 2.509 20 10 FFCDLO C[C@@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000726257729 1020447555 /nfs/dbraw/zinc/44/75/55/1020447555.db2.gz AHGZEFFVROZINJ-GOSISDBHSA-N 1 2 374.529 2.539 20 10 FFCDLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000726257729 1020447560 /nfs/dbraw/zinc/44/75/60/1020447560.db2.gz AHGZEFFVROZINJ-GOSISDBHSA-N 1 2 374.529 2.539 20 10 FFCDLO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cccc(F)c2O)N1)OCCCO4 ZINC000778520394 1022062290 /nfs/dbraw/zinc/06/22/90/1022062290.db2.gz VVTLCOJVWXBMPM-INIZCTEOSA-N 1 2 369.356 2.539 20 10 FFCDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000754347441 1023458295 /nfs/dbraw/zinc/45/82/95/1023458295.db2.gz LATRGMXCKONJQK-LJQANCHMSA-N 1 2 373.497 2.844 20 10 FFCDLO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cc(F)cc(F)c1O ZINC000756360439 1023701503 /nfs/dbraw/zinc/70/15/03/1023701503.db2.gz GOXLZUCQSJZYFZ-NSHDSACASA-N 1 2 367.396 2.576 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCN1C(=O)OC(C)(C)C ZINC001141139922 1025507769 /nfs/dbraw/zinc/50/77/69/1025507769.db2.gz DZDXPGRZWJQWMU-OAHLLOKOSA-N 1 2 361.486 2.956 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCN1C(=O)OC(C)(C)C ZINC001141139922 1025507782 /nfs/dbraw/zinc/50/77/82/1025507782.db2.gz DZDXPGRZWJQWMU-OAHLLOKOSA-N 1 2 361.486 2.956 20 10 FFCDLO CN1CCOc2cc(C[N@H+]3C[C@H]4C[C@@H](C3)N4C(=O)OC(C)(C)C)ccc21 ZINC001141142438 1025510731 /nfs/dbraw/zinc/51/07/31/1025510731.db2.gz PNISCFVPGVVUPM-IYBDPMFKSA-N 1 2 359.470 2.709 20 10 FFCDLO CN1CCOc2cc(C[N@@H+]3C[C@H]4C[C@@H](C3)N4C(=O)OC(C)(C)C)ccc21 ZINC001141142438 1025510744 /nfs/dbraw/zinc/51/07/44/1025510744.db2.gz PNISCFVPGVVUPM-IYBDPMFKSA-N 1 2 359.470 2.709 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000839171250 1026610648 /nfs/dbraw/zinc/61/06/48/1026610648.db2.gz BYOZMEANUPEZPS-GHTZIAJQSA-N 1 2 370.493 2.685 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000839171250 1026610652 /nfs/dbraw/zinc/61/06/52/1026610652.db2.gz BYOZMEANUPEZPS-GHTZIAJQSA-N 1 2 370.493 2.685 20 10 FFCDLO Cc1cc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)[nH+]1 ZINC000839464842 1026688518 /nfs/dbraw/zinc/68/85/18/1026688518.db2.gz ZWKCOPICWCULBY-UHFFFAOYSA-N 1 2 354.454 2.670 20 10 FFCDLO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839664515 1026781860 /nfs/dbraw/zinc/78/18/60/1026781860.db2.gz AXBXMPMPMCRMLE-DNVCBOLYSA-N 1 2 368.437 2.716 20 10 FFCDLO O=C(C[N@H+]1CC[C@@H](O)[C@@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839664515 1026781862 /nfs/dbraw/zinc/78/18/62/1026781862.db2.gz AXBXMPMPMCRMLE-DNVCBOLYSA-N 1 2 368.437 2.716 20 10 FFCDLO COCCn1nnc2c1CC[N@H+](Cc1cc(C)cc(C(C)(C)C)c1O)C2 ZINC000840083601 1026950068 /nfs/dbraw/zinc/95/00/68/1026950068.db2.gz JZKBMKVIEJPGGA-UHFFFAOYSA-N 1 2 358.486 2.794 20 10 FFCDLO COCCn1nnc2c1CC[N@@H+](Cc1cc(C)cc(C(C)(C)C)c1O)C2 ZINC000840083601 1026950078 /nfs/dbraw/zinc/95/00/78/1026950078.db2.gz JZKBMKVIEJPGGA-UHFFFAOYSA-N 1 2 358.486 2.794 20 10 FFCDLO COc1cccc(OCC[NH+]2CCN(Cc3cccc(OC)c3O)CC2)c1 ZINC000093761982 1027822146 /nfs/dbraw/zinc/82/21/46/1027822146.db2.gz WGIPZSQKIXZKMT-UHFFFAOYSA-N 1 2 372.465 2.606 20 10 FFCDLO COC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000784667418 1030743838 /nfs/dbraw/zinc/74/38/38/1030743838.db2.gz IDLGPNJNXUVCAW-RDJZCZTQSA-N 1 2 363.458 2.821 20 10 FFCDLO COC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000784667418 1030743849 /nfs/dbraw/zinc/74/38/49/1030743849.db2.gz IDLGPNJNXUVCAW-RDJZCZTQSA-N 1 2 363.458 2.821 20 10 FFCDLO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001204423284 1031281580 /nfs/dbraw/zinc/28/15/80/1031281580.db2.gz ZDZZEMVCSRIGFY-GASCZTMLSA-N 1 2 353.457 2.661 20 10 FFCDLO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001204423284 1031281592 /nfs/dbraw/zinc/28/15/92/1031281592.db2.gz ZDZZEMVCSRIGFY-GASCZTMLSA-N 1 2 353.457 2.661 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c(C)n1-c1ccccc1 ZINC000830285916 1033551204 /nfs/dbraw/zinc/55/12/04/1033551204.db2.gz JAKUUNPDOCUWRV-UNMCSNQZSA-N 1 2 367.493 2.682 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c(C)n1-c1ccccc1 ZINC000830285916 1033551206 /nfs/dbraw/zinc/55/12/06/1033551206.db2.gz JAKUUNPDOCUWRV-UNMCSNQZSA-N 1 2 367.493 2.682 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001138127909 1033811368 /nfs/dbraw/zinc/81/13/68/1033811368.db2.gz VBLTVTLUPUUMPP-OAHLLOKOSA-N 1 2 368.412 2.834 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001138127909 1033811376 /nfs/dbraw/zinc/81/13/76/1033811376.db2.gz VBLTVTLUPUUMPP-OAHLLOKOSA-N 1 2 368.412 2.834 20 10 FFCDLO O=C1[C@H]2CCC[N@@H+](Cc3cccc(F)c3O)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001138128364 1033813271 /nfs/dbraw/zinc/81/32/71/1033813271.db2.gz FRJAIAJAEHRSGD-WMZOPIPTSA-N 1 2 368.408 2.681 20 10 FFCDLO O=C1[C@H]2CCC[N@H+](Cc3cccc(F)c3O)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001138128364 1033813285 /nfs/dbraw/zinc/81/32/85/1033813285.db2.gz FRJAIAJAEHRSGD-WMZOPIPTSA-N 1 2 368.408 2.681 20 10 FFCDLO CCN(CC)c1ccc(CN2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c(OC)c1 ZINC001138392531 1034228346 /nfs/dbraw/zinc/22/83/46/1034228346.db2.gz ZHSORUUEMHLFEL-CALCHBBNSA-N 1 2 361.530 2.835 20 10 FFCDLO CCN(CC)c1ccc(CN2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c(OC)c1 ZINC001138392531 1034228367 /nfs/dbraw/zinc/22/83/67/1034228367.db2.gz ZHSORUUEMHLFEL-CALCHBBNSA-N 1 2 361.530 2.835 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c(OC)c1 ZINC001138392531 1034228375 /nfs/dbraw/zinc/22/83/75/1034228375.db2.gz ZHSORUUEMHLFEL-CALCHBBNSA-N 1 2 361.530 2.835 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001139129410 1034959349 /nfs/dbraw/zinc/95/93/49/1034959349.db2.gz YUSRTHSQDUIFOU-UHFFFAOYSA-N 1 2 370.449 2.641 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001139129410 1034959359 /nfs/dbraw/zinc/95/93/59/1034959359.db2.gz YUSRTHSQDUIFOU-UHFFFAOYSA-N 1 2 370.449 2.641 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001139130709 1034960706 /nfs/dbraw/zinc/96/07/06/1034960706.db2.gz HLQDTLKNDQUHFY-QGZVFWFLSA-N 1 2 351.349 2.807 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001139130709 1034960714 /nfs/dbraw/zinc/96/07/14/1034960714.db2.gz HLQDTLKNDQUHFY-QGZVFWFLSA-N 1 2 351.349 2.807 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001139133780 1034962411 /nfs/dbraw/zinc/96/24/11/1034962411.db2.gz QAVFSXMKBQVHHX-UHFFFAOYSA-N 1 2 372.421 2.614 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(c3nccc(Cl)n3)CC2)cc1Cl ZINC001232270153 1035539748 /nfs/dbraw/zinc/53/97/48/1035539748.db2.gz VSCQLSNOKXFNDE-UHFFFAOYSA-N 1 2 369.252 2.820 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H]2CCC[N@H+](CC)C2)c1O ZINC001227495804 1035584279 /nfs/dbraw/zinc/58/42/79/1035584279.db2.gz WZXOMTQEKCQAFH-LLVKDONJSA-N 1 2 371.455 2.670 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H]2CCC[N@@H+](CC)C2)c1O ZINC001227495804 1035584298 /nfs/dbraw/zinc/58/42/98/1035584298.db2.gz WZXOMTQEKCQAFH-LLVKDONJSA-N 1 2 371.455 2.670 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3C[C@@H]4C[C@H]3CO4)c2)nc1C ZINC001232453671 1035697113 /nfs/dbraw/zinc/69/71/13/1035697113.db2.gz LLCWFZLOVUYPEF-GJZGRUSLSA-N 1 2 374.462 2.974 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3C[C@@H]4C[C@H]3CO4)c2)nc1C ZINC001232453671 1035697117 /nfs/dbraw/zinc/69/71/17/1035697117.db2.gz LLCWFZLOVUYPEF-GJZGRUSLSA-N 1 2 374.462 2.974 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3c(OC)cncc3OC)CC2)cc1 ZINC001232506444 1035759664 /nfs/dbraw/zinc/75/96/64/1035759664.db2.gz JXZMCMQMNPBVDU-UHFFFAOYSA-N 1 2 357.454 2.820 20 10 FFCDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(O)c(O)ccc3C(=O)c3ccccc3)[C@H]1CC(=O)C2 ZINC001227937351 1035823243 /nfs/dbraw/zinc/82/32/43/1035823243.db2.gz ITAPQYGEIZAQQN-FDQGKXFDSA-N 1 2 367.401 2.512 20 10 FFCDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(O)c(O)ccc3C(=O)c3ccccc3)[C@H]1CC(=O)C2 ZINC001227937351 1035823261 /nfs/dbraw/zinc/82/32/61/1035823261.db2.gz ITAPQYGEIZAQQN-FDQGKXFDSA-N 1 2 367.401 2.512 20 10 FFCDLO Oc1cc(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)cc(O)c1O ZINC001233013322 1036250185 /nfs/dbraw/zinc/25/01/85/1036250185.db2.gz OXGSZKZUOPKDFO-VIFPVBQESA-N 1 2 359.304 2.585 20 10 FFCDLO Oc1cc(C[N@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)cc(O)c1O ZINC001233013322 1036250192 /nfs/dbraw/zinc/25/01/92/1036250192.db2.gz OXGSZKZUOPKDFO-VIFPVBQESA-N 1 2 359.304 2.585 20 10 FFCDLO COCCCN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277510876 1037552616 /nfs/dbraw/zinc/55/26/16/1037552616.db2.gz RYGLXBYLTAJJRI-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO COCCCN1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277510876 1037552625 /nfs/dbraw/zinc/55/26/25/1037552625.db2.gz RYGLXBYLTAJJRI-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(C)c21 ZINC001231851653 1037948862 /nfs/dbraw/zinc/94/88/62/1037948862.db2.gz KWEDFZQWPLHRSC-MRXNPFEDSA-N 1 2 358.486 2.631 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(C)c21 ZINC001231851653 1037948871 /nfs/dbraw/zinc/94/88/71/1037948871.db2.gz KWEDFZQWPLHRSC-MRXNPFEDSA-N 1 2 358.486 2.631 20 10 FFCDLO Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4cccc(Cl)c4O)C3)C2=O)cn1 ZINC001231911534 1038009053 /nfs/dbraw/zinc/00/90/53/1038009053.db2.gz NHPDKXRQNSEQRD-IBGZPJMESA-N 1 2 374.872 2.798 20 10 FFCDLO Cn1cc(N2CC[C@]3(CCC[N@@H+](Cc4cccc(Cl)c4O)C3)C2=O)cn1 ZINC001231911534 1038009070 /nfs/dbraw/zinc/00/90/70/1038009070.db2.gz NHPDKXRQNSEQRD-IBGZPJMESA-N 1 2 374.872 2.798 20 10 FFCDLO CCOc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)cc1 ZINC001277996272 1038184760 /nfs/dbraw/zinc/18/47/60/1038184760.db2.gz FFDFVDVPDDPPBE-RTBURBONSA-N 1 2 354.454 2.552 20 10 FFCDLO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236758290 1038244229 /nfs/dbraw/zinc/24/42/29/1038244229.db2.gz XWZQWFDBCKFALM-UHFFFAOYSA-N 1 2 366.458 2.899 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023145 1038330360 /nfs/dbraw/zinc/33/03/60/1038330360.db2.gz LXQZQSSEJIOKKX-XIKOKIGWSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023145 1038330370 /nfs/dbraw/zinc/33/03/70/1038330370.db2.gz LXQZQSSEJIOKKX-XIKOKIGWSA-N 1 2 370.852 2.787 20 10 FFCDLO COc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(O)c1I ZINC001248499021 1040303038 /nfs/dbraw/zinc/30/30/38/1040303038.db2.gz ZKWAARSIEOMRHH-KOLCDFICSA-N 1 2 359.207 2.990 20 10 FFCDLO COc1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(O)c1I ZINC001248499021 1040303046 /nfs/dbraw/zinc/30/30/46/1040303046.db2.gz ZKWAARSIEOMRHH-KOLCDFICSA-N 1 2 359.207 2.990 20 10 FFCDLO O=S(=O)(Nc1cccc(C[NH+]2CCCC2)c1)c1cccc2nonc21 ZINC001260440723 1040593138 /nfs/dbraw/zinc/59/31/38/1040593138.db2.gz HTNRKXNMNLYYCP-UHFFFAOYSA-N 1 2 358.423 2.619 20 10 FFCDLO CN(C)c1ccc(-c2nc3cc(C(=O)N4CC[NH+](C)CC4)ccc3[nH]2)cc1 ZINC001250468917 1041219605 /nfs/dbraw/zinc/21/96/05/1041219605.db2.gz RVBSIACYGLPFQY-UHFFFAOYSA-N 1 2 363.465 2.684 20 10 FFCDLO CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)cc(F)cc1F ZINC001278606126 1041395069 /nfs/dbraw/zinc/39/50/69/1041395069.db2.gz SFROGMRPMWQBJB-IRXDYDNUSA-N 1 2 362.424 2.736 20 10 FFCDLO COc1cc(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)c(O)c(OC)c1 ZINC001237681102 1043307294 /nfs/dbraw/zinc/30/72/94/1043307294.db2.gz OVEAHZWKROQLDO-UHFFFAOYSA-N 1 2 370.449 2.676 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935195 1043442080 /nfs/dbraw/zinc/44/20/80/1043442080.db2.gz RCFUMVXKQYSJNO-NWDGAFQWSA-N 1 2 374.840 2.645 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935195 1043442084 /nfs/dbraw/zinc/44/20/84/1043442084.db2.gz RCFUMVXKQYSJNO-NWDGAFQWSA-N 1 2 374.840 2.645 20 10 FFCDLO CN(CCO)c1ccc(NCc2c(O)cccc2Br)[nH+]c1 ZINC001331871698 1048147407 /nfs/dbraw/zinc/14/74/07/1048147407.db2.gz FCVIKTDTFSFDAT-UHFFFAOYSA-N 1 2 352.232 2.590 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001542430092 1071232996 /nfs/dbraw/zinc/23/29/96/1071232996.db2.gz FRQYURXENXHOEI-HXUWFJFHSA-N 1 2 371.456 2.791 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001542430092 1071233003 /nfs/dbraw/zinc/23/30/03/1071233003.db2.gz FRQYURXENXHOEI-HXUWFJFHSA-N 1 2 371.456 2.791 20 10 FFCDLO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308247848 1052436873 /nfs/dbraw/zinc/43/68/73/1052436873.db2.gz DZXPJGMIBDCXRQ-INIZCTEOSA-N 1 2 350.821 2.974 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCc1[nH+]ccn1C ZINC001347744609 1054276685 /nfs/dbraw/zinc/27/66/85/1054276685.db2.gz BGDXJTHBNXDPQC-UHFFFAOYSA-N 1 2 350.422 2.613 20 10 FFCDLO Cc1c[nH+]c2cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccn12 ZINC000847304455 1055434823 /nfs/dbraw/zinc/43/48/23/1055434823.db2.gz RDNVXZIIIAJOEA-UHFFFAOYSA-N 1 2 364.449 2.752 20 10 FFCDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001460628983 1061038871 /nfs/dbraw/zinc/03/88/71/1061038871.db2.gz SVOZBVWRPOLUAJ-AWEZNQCLSA-N 1 2 353.850 2.532 20 10 FFCDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001460628983 1061038884 /nfs/dbraw/zinc/03/88/84/1061038884.db2.gz SVOZBVWRPOLUAJ-AWEZNQCLSA-N 1 2 353.850 2.532 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC001473926555 1065422443 /nfs/dbraw/zinc/42/24/43/1065422443.db2.gz UZIVPXRBDBJWMZ-UHFFFAOYSA-N 1 2 351.809 2.706 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)C[C@@H]1O ZINC001561021371 1076320911 /nfs/dbraw/zinc/32/09/11/1076320911.db2.gz JXWYRFJVYXHDAG-HQJQHLMTSA-N 1 2 365.065 2.730 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)C[C@@H]1O ZINC001561021371 1076320918 /nfs/dbraw/zinc/32/09/18/1076320918.db2.gz JXWYRFJVYXHDAG-HQJQHLMTSA-N 1 2 365.065 2.730 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1F ZINC000377350022 512228053 /nfs/dbraw/zinc/22/80/53/512228053.db2.gz HSURJIRFZXGHAC-CQSZACIVSA-N 1 2 359.449 2.752 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1F ZINC000377350022 512228058 /nfs/dbraw/zinc/22/80/58/512228058.db2.gz HSURJIRFZXGHAC-CQSZACIVSA-N 1 2 359.449 2.752 20 10 FFCDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC000371327016 512331954 /nfs/dbraw/zinc/33/19/54/512331954.db2.gz LOKVCBPJZKKSKL-UHFFFAOYSA-N 1 2 354.237 2.834 20 10 FFCDLO CCn1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC000371327016 512331957 /nfs/dbraw/zinc/33/19/57/512331957.db2.gz LOKVCBPJZKKSKL-UHFFFAOYSA-N 1 2 354.237 2.834 20 10 FFCDLO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)C(=O)N1CCOCC1 ZINC000185665569 509295273 /nfs/dbraw/zinc/29/52/73/509295273.db2.gz CIOQUONJXVQKET-GXFFZTMASA-N 1 2 361.269 2.987 20 10 FFCDLO Cc1ccc(/C=C2/SC(=S)N(CC[NH+]3CCOCC3)C2=O)cc1F ZINC000264587006 509614426 /nfs/dbraw/zinc/61/44/26/509614426.db2.gz UATJBXVTLXSGSN-RVDMUPIBSA-N 1 2 366.483 2.668 20 10 FFCDLO CCS(=O)(=O)CCCCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000190670962 510275305 /nfs/dbraw/zinc/27/53/05/510275305.db2.gz MRDWYZYSZMLAPM-UHFFFAOYSA-N 1 2 372.506 2.561 20 10 FFCDLO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178729371 510741021 /nfs/dbraw/zinc/74/10/21/510741021.db2.gz ORIRMVHEXYUMBP-GOSISDBHSA-N 1 2 365.481 2.760 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1O ZINC000276998712 510952046 /nfs/dbraw/zinc/95/20/46/510952046.db2.gz YXIZGGINQUBULF-BLLLJJGKSA-N 1 2 361.392 2.907 20 10 FFCDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)o1 ZINC000278518641 510996148 /nfs/dbraw/zinc/99/61/48/510996148.db2.gz RLWQHRXGGCKAIZ-CYBMUJFWSA-N 1 2 350.371 2.942 20 10 FFCDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000278750717 511006169 /nfs/dbraw/zinc/00/61/69/511006169.db2.gz SDXWIMXZGJCXSU-RISCZKNCSA-N 1 2 364.269 2.545 20 10 FFCDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000278750717 511006173 /nfs/dbraw/zinc/00/61/73/511006173.db2.gz SDXWIMXZGJCXSU-RISCZKNCSA-N 1 2 364.269 2.545 20 10 FFCDLO CC[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cccc(Cl)c1O ZINC000286976142 511036706 /nfs/dbraw/zinc/03/67/06/511036706.db2.gz ITBCCSQVRSTMEG-NHYWBVRUSA-N 1 2 362.861 2.644 20 10 FFCDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2cc(Br)ccc2O)n1 ZINC000271194636 511116293 /nfs/dbraw/zinc/11/62/93/511116293.db2.gz HFGGLKBXXQDYPX-SECBINFHSA-N 1 2 356.220 2.877 20 10 FFCDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(Br)ccc2O)n1 ZINC000271194636 511116301 /nfs/dbraw/zinc/11/63/01/511116301.db2.gz HFGGLKBXXQDYPX-SECBINFHSA-N 1 2 356.220 2.877 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000279932800 511272105 /nfs/dbraw/zinc/27/21/05/511272105.db2.gz NOHZBBQBOMJMMD-AWEZNQCLSA-N 1 2 364.433 2.780 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000279932800 511272110 /nfs/dbraw/zinc/27/21/10/511272110.db2.gz NOHZBBQBOMJMMD-AWEZNQCLSA-N 1 2 364.433 2.780 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363246950 511441416 /nfs/dbraw/zinc/44/14/16/511441416.db2.gz GAMUQKYSVIWVFO-UHFFFAOYSA-N 1 2 374.448 2.643 20 10 FFCDLO COc1cc(N2CCN(c3cc[nH+]c(C(C)C)n3)CC2)cc(OC)c1OC ZINC000302142178 511706554 /nfs/dbraw/zinc/70/65/54/511706554.db2.gz FMXSYMDJRCHLOD-UHFFFAOYSA-N 1 2 372.469 2.952 20 10 FFCDLO C[N@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000281975522 512032864 /nfs/dbraw/zinc/03/28/64/512032864.db2.gz LNWGLBMTFZVDJT-UHFFFAOYSA-N 1 2 363.465 2.736 20 10 FFCDLO C[N@@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000281975522 512032867 /nfs/dbraw/zinc/03/28/67/512032867.db2.gz LNWGLBMTFZVDJT-UHFFFAOYSA-N 1 2 363.465 2.736 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374869390 513047145 /nfs/dbraw/zinc/04/71/45/513047145.db2.gz RIPMNJNVOPXCEE-BVBGJJFLSA-N 1 2 358.825 2.938 20 10 FFCDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)C(=O)N1CCCC1 ZINC000527808125 517926064 /nfs/dbraw/zinc/92/60/64/517926064.db2.gz GWKXNWNBAMKWTO-UHFFFAOYSA-N 1 2 355.276 2.893 20 10 FFCDLO CN(C)c1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1F ZINC000821589240 599503182 /nfs/dbraw/zinc/50/31/82/599503182.db2.gz DVJDTYWEZJXMKW-UHFFFAOYSA-N 1 2 363.400 2.654 20 10 FFCDLO Cc1ccsc1/C=C1\SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000028964186 727888761 /nfs/dbraw/zinc/88/87/61/727888761.db2.gz UWRAAKVLIUYSDK-KAMYIIQDSA-N 1 2 368.549 2.980 20 10 FFCDLO COC(=O)CC[N@H+](Cc1cccc(Br)c1O)C1CCOCC1 ZINC000093734746 728477486 /nfs/dbraw/zinc/47/74/86/728477486.db2.gz PPJAMJBYRDBJKP-UHFFFAOYSA-N 1 2 372.259 2.699 20 10 FFCDLO COC(=O)CC[N@@H+](Cc1cccc(Br)c1O)C1CCOCC1 ZINC000093734746 728477487 /nfs/dbraw/zinc/47/74/87/728477487.db2.gz PPJAMJBYRDBJKP-UHFFFAOYSA-N 1 2 372.259 2.699 20 10 FFCDLO Cn1nccc1[C@H](O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000857063432 730376904 /nfs/dbraw/zinc/37/69/04/730376904.db2.gz SLUZLTVGXCFZLM-QGZVFWFLSA-N 1 2 353.825 2.864 20 10 FFCDLO OCCC[N@H+](Cc1ccccn1)Cc1c(O)cccc1Br ZINC000862367599 730692890 /nfs/dbraw/zinc/69/28/90/730692890.db2.gz OSYRJFBFLKGRMR-UHFFFAOYSA-N 1 2 351.244 2.934 20 10 FFCDLO OCCC[N@@H+](Cc1ccccn1)Cc1c(O)cccc1Br ZINC000862367599 730692892 /nfs/dbraw/zinc/69/28/92/730692892.db2.gz OSYRJFBFLKGRMR-UHFFFAOYSA-N 1 2 351.244 2.934 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)c(F)cc1O ZINC000927147849 738696849 /nfs/dbraw/zinc/69/68/49/738696849.db2.gz TYFDXLDWQHYSSI-DTWKUNHWSA-N 1 2 369.238 2.630 20 10 FFCDLO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1cc(Br)cc(F)c1O ZINC000927156810 738698128 /nfs/dbraw/zinc/69/81/28/738698128.db2.gz RARDKZXTKDLYJO-HERUPUMHSA-N 1 2 374.250 2.874 20 10 FFCDLO CCNC(=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCC1 ZINC000883103340 733334009 /nfs/dbraw/zinc/33/40/09/733334009.db2.gz RYOAFHMGPJDWQZ-UHFFFAOYSA-N 1 2 359.239 2.690 20 10 FFCDLO CC(C)(CC[NH2+]Cc1cc(Br)cc(F)c1O)S(C)(=O)=O ZINC000883146413 733342299 /nfs/dbraw/zinc/34/22/99/733342299.db2.gz MHOURHCSDWWVQQ-UHFFFAOYSA-N 1 2 368.268 2.597 20 10 FFCDLO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893981859 734781544 /nfs/dbraw/zinc/78/15/44/734781544.db2.gz XEHPZNBHZWPAQU-JTQLQIEISA-N 1 2 359.239 2.771 20 10 FFCDLO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893981859 734781548 /nfs/dbraw/zinc/78/15/48/734781548.db2.gz XEHPZNBHZWPAQU-JTQLQIEISA-N 1 2 359.239 2.771 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000894093987 734800629 /nfs/dbraw/zinc/80/06/29/734800629.db2.gz JBPVHJPLMKFGRT-NSHDSACASA-N 1 2 369.238 2.798 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000894093987 734800632 /nfs/dbraw/zinc/80/06/32/734800632.db2.gz JBPVHJPLMKFGRT-NSHDSACASA-N 1 2 369.238 2.798 20 10 FFCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H]1COCCO1 ZINC000895260096 734982784 /nfs/dbraw/zinc/98/27/84/734982784.db2.gz OBQOTGWYNKEJNO-NSHDSACASA-N 1 2 350.640 2.655 20 10 FFCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H]1COCCO1 ZINC000895260096 734982790 /nfs/dbraw/zinc/98/27/90/734982790.db2.gz OBQOTGWYNKEJNO-NSHDSACASA-N 1 2 350.640 2.655 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000740900222 735097627 /nfs/dbraw/zinc/09/76/27/735097627.db2.gz MVYUSPMGVIFPQA-VXGBXAGGSA-N 1 2 362.289 2.600 20 10 FFCDLO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(Br)c(F)cc1O ZINC000756654297 736349957 /nfs/dbraw/zinc/34/99/57/736349957.db2.gz KBDFPFMADKKULQ-ZUZCIYMTSA-N 1 2 362.239 2.734 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@@H]1CN(C)CCO1 ZINC000756761771 736359507 /nfs/dbraw/zinc/35/95/07/736359507.db2.gz VCSHDKDPICMFNM-RBZYPMLTSA-N 1 2 361.255 2.664 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCN(c3ncccc3F)CC2)c1O ZINC000761201998 736707003 /nfs/dbraw/zinc/70/70/03/736707003.db2.gz JYUROXRFSFENHE-UHFFFAOYSA-N 1 2 351.809 2.911 20 10 FFCDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000761226974 736709553 /nfs/dbraw/zinc/70/95/53/736709553.db2.gz YSBWTRHLOFQYFF-UHFFFAOYSA-N 1 2 367.287 2.988 20 10 FFCDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1cc(Br)ccc1O ZINC000761226974 736709554 /nfs/dbraw/zinc/70/95/54/736709554.db2.gz YSBWTRHLOFQYFF-UHFFFAOYSA-N 1 2 367.287 2.988 20 10 FFCDLO COc1ccc2c(c1)CCCC[N@H+]2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000766270821 737214033 /nfs/dbraw/zinc/21/40/33/737214033.db2.gz UTPJEHZKLPPYBY-HNNXBMFYSA-N 1 2 352.500 2.510 20 10 FFCDLO COc1ccc2c(c1)CCCC[N@@H+]2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000766270821 737214037 /nfs/dbraw/zinc/21/40/37/737214037.db2.gz UTPJEHZKLPPYBY-HNNXBMFYSA-N 1 2 352.500 2.510 20 10 FFCDLO CCCN(CCC)c1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1 ZINC000769480264 737534002 /nfs/dbraw/zinc/53/40/02/737534002.db2.gz LXSYMLIWPYKBFV-VWLOTQADSA-N 1 2 365.587 2.809 20 10 FFCDLO COc1c(O)c(CN2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000774821886 738029815 /nfs/dbraw/zinc/02/98/15/738029815.db2.gz UXSLALSNGNPTRP-UHFFFAOYSA-N 1 2 363.439 2.688 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000774841322 738031589 /nfs/dbraw/zinc/03/15/89/738031589.db2.gz XHOCUUGOBOWQID-NSHDSACASA-N 1 2 364.320 2.852 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000774841322 738031593 /nfs/dbraw/zinc/03/15/93/738031593.db2.gz XHOCUUGOBOWQID-NSHDSACASA-N 1 2 364.320 2.852 20 10 FFCDLO COc1c(O)c(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774979312 738047530 /nfs/dbraw/zinc/04/75/30/738047530.db2.gz TWLHBWLFBUUYJE-UGSOOPFHSA-N 1 2 351.447 2.909 20 10 FFCDLO CC[N@H+](Cc1oncc1C(=O)OC)Cc1cc(Br)ccc1O ZINC000795925232 740081111 /nfs/dbraw/zinc/08/11/11/740081111.db2.gz ODDQRAMJOFZAGS-UHFFFAOYSA-N 1 2 369.215 2.951 20 10 FFCDLO CC[N@@H+](Cc1oncc1C(=O)OC)Cc1cc(Br)ccc1O ZINC000795925232 740081112 /nfs/dbraw/zinc/08/11/12/740081112.db2.gz ODDQRAMJOFZAGS-UHFFFAOYSA-N 1 2 369.215 2.951 20 10 FFCDLO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000808726074 741255353 /nfs/dbraw/zinc/25/53/53/741255353.db2.gz OTLHZAIXBISRPY-SECBINFHSA-N 1 2 368.268 2.768 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000809686831 741331779 /nfs/dbraw/zinc/33/17/79/741331779.db2.gz MMJXDRMJWNJWOE-MRXNPFEDSA-N 1 2 356.260 2.845 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000809686831 741331784 /nfs/dbraw/zinc/33/17/84/741331784.db2.gz MMJXDRMJWNJWOE-MRXNPFEDSA-N 1 2 356.260 2.845 20 10 FFCDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809779376 741342673 /nfs/dbraw/zinc/34/26/73/741342673.db2.gz LBBBFOYKIKFGCV-LBPRGKRZSA-N 1 2 357.248 2.865 20 10 FFCDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809779376 741342679 /nfs/dbraw/zinc/34/26/79/741342679.db2.gz LBBBFOYKIKFGCV-LBPRGKRZSA-N 1 2 357.248 2.865 20 10 FFCDLO O=C(C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCO1)N1CCCC1 ZINC000816515845 742036933 /nfs/dbraw/zinc/03/69/33/742036933.db2.gz MPIPNLMMMWNHPX-AWEZNQCLSA-N 1 2 370.852 2.788 20 10 FFCDLO O=C(C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCO1)N1CCCC1 ZINC000816515845 742036938 /nfs/dbraw/zinc/03/69/38/742036938.db2.gz MPIPNLMMMWNHPX-AWEZNQCLSA-N 1 2 370.852 2.788 20 10 FFCDLO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816607692 742046861 /nfs/dbraw/zinc/04/68/61/742046861.db2.gz BYORKFQEKLYSCC-CYBMUJFWSA-N 1 2 355.841 2.955 20 10 FFCDLO C[N@H+](Cc1csc(C(C)(C)O)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000825147408 743218543 /nfs/dbraw/zinc/21/85/43/743218543.db2.gz FTSRUBXFVTWOCO-UHFFFAOYSA-N 1 2 361.511 2.839 20 10 FFCDLO C[N@@H+](Cc1csc(C(C)(C)O)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000825147408 743218551 /nfs/dbraw/zinc/21/85/51/743218551.db2.gz FTSRUBXFVTWOCO-UHFFFAOYSA-N 1 2 361.511 2.839 20 10 FFCDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433184 747836805 /nfs/dbraw/zinc/83/68/05/747836805.db2.gz WAJQZYJFRJTUHE-ZDUSSCGKSA-N 1 2 354.731 2.685 20 10 FFCDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433184 747836812 /nfs/dbraw/zinc/83/68/12/747836812.db2.gz WAJQZYJFRJTUHE-ZDUSSCGKSA-N 1 2 354.731 2.685 20 10 FFCDLO CCOc1cccc(C[NH2+][C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c1O ZINC000846110007 748409234 /nfs/dbraw/zinc/40/92/34/748409234.db2.gz WFCIJLKKLDYJEZ-LXZKKBNFSA-N 1 2 351.443 2.627 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275892371 1013152854 /nfs/dbraw/zinc/15/28/54/1013152854.db2.gz BQIILYXOVWAEKC-SGTLLEGYSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275892371 1013152858 /nfs/dbraw/zinc/15/28/58/1013152858.db2.gz BQIILYXOVWAEKC-SGTLLEGYSA-N 1 2 350.846 2.590 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c(Br)c1 ZINC001206244763 1013430616 /nfs/dbraw/zinc/43/06/16/1013430616.db2.gz NJVVQLKHFKWLDW-LBPRGKRZSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c(Br)c1 ZINC001206244763 1013430619 /nfs/dbraw/zinc/43/06/19/1013430619.db2.gz NJVVQLKHFKWLDW-LBPRGKRZSA-N 1 2 369.181 2.629 20 10 FFCDLO CNC(=O)CC[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000728928226 977517665 /nfs/dbraw/zinc/51/76/65/977517665.db2.gz QQCCYSUIGJDDRN-UHFFFAOYSA-N 1 2 355.482 2.962 20 10 FFCDLO CNC(=O)CC[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000728928226 977517672 /nfs/dbraw/zinc/51/76/72/977517672.db2.gz QQCCYSUIGJDDRN-UHFFFAOYSA-N 1 2 355.482 2.962 20 10 FFCDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152538842 987353303 /nfs/dbraw/zinc/35/33/03/987353303.db2.gz WJBGQCCLJCMWQD-OAHLLOKOSA-N 1 2 361.405 2.654 20 10 FFCDLO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3n[nH]c4ccccc43)cc2)C1 ZINC000727467003 995831443 /nfs/dbraw/zinc/83/14/43/995831443.db2.gz NZFIRAQTGBHZSI-INIZCTEOSA-N 1 2 363.465 2.554 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000844402306 997861847 /nfs/dbraw/zinc/86/18/47/997861847.db2.gz SLSSSLSLCISQQR-UHFFFAOYSA-N 1 2 365.481 2.903 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000844402306 997861856 /nfs/dbraw/zinc/86/18/56/997861856.db2.gz SLSSSLSLCISQQR-UHFFFAOYSA-N 1 2 365.481 2.903 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nncn2-c2ccccc2)cc1 ZINC000844402751 997864825 /nfs/dbraw/zinc/86/48/25/997864825.db2.gz VHRFVBREWLETKP-UHFFFAOYSA-N 1 2 351.454 2.844 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nncn2-c2ccccc2)cc1 ZINC000844402751 997864836 /nfs/dbraw/zinc/86/48/36/997864836.db2.gz VHRFVBREWLETKP-UHFFFAOYSA-N 1 2 351.454 2.844 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001144306878 998301431 /nfs/dbraw/zinc/30/14/31/998301431.db2.gz VGVRPFDZRHXPIR-LLVKDONJSA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001144306878 998301444 /nfs/dbraw/zinc/30/14/44/998301444.db2.gz VGVRPFDZRHXPIR-LLVKDONJSA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001144308840 998307438 /nfs/dbraw/zinc/30/74/38/998307438.db2.gz ZMPASAOLUZALPW-LLVKDONJSA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001144308840 998307456 /nfs/dbraw/zinc/30/74/56/998307456.db2.gz ZMPASAOLUZALPW-LLVKDONJSA-N 1 2 368.206 2.737 20 10 FFCDLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768466551 1000265089 /nfs/dbraw/zinc/26/50/89/1000265089.db2.gz SADBCHQSOOQLHU-IBGZPJMESA-N 1 2 365.433 2.695 20 10 FFCDLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768466551 1000265095 /nfs/dbraw/zinc/26/50/95/1000265095.db2.gz SADBCHQSOOQLHU-IBGZPJMESA-N 1 2 365.433 2.695 20 10 FFCDLO CC[C@H](C)N1CC2(C[NH+](Cc3cccc(C(C)(C)C)c3O)C2)OCC1=O ZINC001276247286 1016613551 /nfs/dbraw/zinc/61/35/51/1016613551.db2.gz FTTNTBKTJVBMNS-HNNXBMFYSA-N 1 2 360.498 2.901 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N(C)C[C@H]3CC3(C)C)cc12 ZINC001184359346 1002566468 /nfs/dbraw/zinc/56/64/68/1002566468.db2.gz NQNWJVRNCRZOSE-OAHLLOKOSA-N 1 2 372.465 2.743 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N(C)C[C@H]3CC3(C)C)cc12 ZINC001184359346 1002566478 /nfs/dbraw/zinc/56/64/78/1002566478.db2.gz NQNWJVRNCRZOSE-OAHLLOKOSA-N 1 2 372.465 2.743 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)Nc3ccccc3O)cc12 ZINC001184359827 1002567001 /nfs/dbraw/zinc/56/70/01/1002567001.db2.gz BCGQECYPMSOOGX-UHFFFAOYSA-N 1 2 368.389 2.583 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)Nc3ccccc3O)cc12 ZINC001184359827 1002567012 /nfs/dbraw/zinc/56/70/12/1002567012.db2.gz BCGQECYPMSOOGX-UHFFFAOYSA-N 1 2 368.389 2.583 20 10 FFCDLO O=C(CCc1[nH]cc[nH+]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000806745425 1004411104 /nfs/dbraw/zinc/41/11/04/1004411104.db2.gz IGCFIZUSSDUVMG-UHFFFAOYSA-N 1 2 364.396 2.729 20 10 FFCDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 ZINC001193603253 1004537337 /nfs/dbraw/zinc/53/73/37/1004537337.db2.gz LPAHHWARYQIOJA-UHFFFAOYSA-N 1 2 361.829 2.834 20 10 FFCDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2ncnn21 ZINC000850352155 1005810424 /nfs/dbraw/zinc/81/04/24/1005810424.db2.gz NJRLRWNYJIVNGA-UKRRQHHQSA-N 1 2 356.430 2.972 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(C)n1-c1ccccc1 ZINC000852432919 1006021310 /nfs/dbraw/zinc/02/13/10/1006021310.db2.gz QOWHVETUFPMGRD-GOSISDBHSA-N 1 2 367.449 2.803 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c(C)n1-c1ccccc1 ZINC000852432919 1006021322 /nfs/dbraw/zinc/02/13/22/1006021322.db2.gz QOWHVETUFPMGRD-GOSISDBHSA-N 1 2 367.449 2.803 20 10 FFCDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)ccc1N(C)C ZINC000815070061 1006507452 /nfs/dbraw/zinc/50/74/52/1006507452.db2.gz ORFMZJFOUSRAST-UHFFFAOYSA-N 1 2 353.466 2.725 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)C2)cc1 ZINC000854300543 1006766049 /nfs/dbraw/zinc/76/60/49/1006766049.db2.gz VLPUZMKNKHRDAQ-MRXNPFEDSA-N 1 2 369.469 2.586 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)C2)cc1 ZINC000854300543 1006766061 /nfs/dbraw/zinc/76/60/61/1006766061.db2.gz VLPUZMKNKHRDAQ-MRXNPFEDSA-N 1 2 369.469 2.586 20 10 FFCDLO Cc1cc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc(C)[nH+]1 ZINC000817155469 1007443325 /nfs/dbraw/zinc/44/33/25/1007443325.db2.gz YZDDWHLJASQDQN-UHFFFAOYSA-N 1 2 372.444 2.674 20 10 FFCDLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(N2CCOCC2)cc1 ZINC000776852210 1007661878 /nfs/dbraw/zinc/66/18/78/1007661878.db2.gz CVWNUFAVEBJVPL-OAHLLOKOSA-N 1 2 350.422 2.662 20 10 FFCDLO CCn1nc(C)c(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000818220329 1007888473 /nfs/dbraw/zinc/88/84/73/1007888473.db2.gz FVIVDYRUWPPIOL-UHFFFAOYSA-N 1 2 358.446 2.795 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(C)[nH+]c3N(C)C)C2)cc1 ZINC000822077418 1008515908 /nfs/dbraw/zinc/51/59/08/1008515908.db2.gz CEKGVOGZBGPSAP-HNNXBMFYSA-N 1 2 369.469 2.865 20 10 FFCDLO CCN(CC)c1ccc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)cc1F ZINC000865687482 1010842166 /nfs/dbraw/zinc/84/21/66/1010842166.db2.gz QQDCCWCOXZWNBN-UHFFFAOYSA-N 1 2 361.465 2.974 20 10 FFCDLO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229435 1012109626 /nfs/dbraw/zinc/10/96/26/1012109626.db2.gz MBAJKOHJWRMAFM-IBGZPJMESA-N 1 2 368.424 2.520 20 10 FFCDLO COC(C)(C)CN1CC[C@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229435 1012109635 /nfs/dbraw/zinc/10/96/35/1012109635.db2.gz MBAJKOHJWRMAFM-IBGZPJMESA-N 1 2 368.424 2.520 20 10 FFCDLO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229512 1012110306 /nfs/dbraw/zinc/11/03/06/1012110306.db2.gz MTEXHHGSJTUUTE-HXPMCKFVSA-N 1 2 366.408 2.810 20 10 FFCDLO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229512 1012110317 /nfs/dbraw/zinc/11/03/17/1012110317.db2.gz MTEXHHGSJTUUTE-HXPMCKFVSA-N 1 2 366.408 2.810 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3n[nH]c4ccccc43)CC2)cc1 ZINC001137350650 1017632973 /nfs/dbraw/zinc/63/29/73/1017632973.db2.gz BKTKDJPCMYJUFC-UHFFFAOYSA-N 1 2 366.465 2.910 20 10 FFCDLO O=C([C@H]1CCn2c[nH+]cc2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000752087821 1023055841 /nfs/dbraw/zinc/05/58/41/1023055841.db2.gz GXVRNOPFSOWOJE-HNNXBMFYSA-N 1 2 351.406 2.973 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000755305886 1023589214 /nfs/dbraw/zinc/58/92/14/1023589214.db2.gz GNAAYIJKEQGKLX-OAQYLSRUSA-N 1 2 373.541 2.992 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000755305886 1023589217 /nfs/dbraw/zinc/58/92/17/1023589217.db2.gz GNAAYIJKEQGKLX-OAQYLSRUSA-N 1 2 373.541 2.992 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000757146510 1023802729 /nfs/dbraw/zinc/80/27/29/1023802729.db2.gz OIUNOUIKARNGPE-UHFFFAOYSA-N 1 2 355.457 2.908 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000757146510 1023802732 /nfs/dbraw/zinc/80/27/32/1023802732.db2.gz OIUNOUIKARNGPE-UHFFFAOYSA-N 1 2 355.457 2.908 20 10 FFCDLO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1c(O)cccc1F ZINC001137839515 1033183641 /nfs/dbraw/zinc/18/36/41/1033183641.db2.gz AZHDCWJGKOKNFY-KRWDZBQOSA-N 1 2 372.440 2.781 20 10 FFCDLO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1c(O)cccc1F ZINC001137839515 1033183645 /nfs/dbraw/zinc/18/36/45/1033183645.db2.gz AZHDCWJGKOKNFY-KRWDZBQOSA-N 1 2 372.440 2.781 20 10 FFCDLO O=C1[C@H]2[C@H](CCC[N@@H+]2Cc2c(O)cccc2F)C(=O)N1Cc1ccccc1 ZINC001137838826 1033181360 /nfs/dbraw/zinc/18/13/60/1033181360.db2.gz LFFXEKKPQQNLCU-HNAYVOBHSA-N 1 2 368.408 2.681 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839666773 1026785027 /nfs/dbraw/zinc/78/50/27/1026785027.db2.gz NUCMGVXRPZKGER-WIYYLYMNSA-N 1 2 370.493 2.569 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839666773 1026785040 /nfs/dbraw/zinc/78/50/40/1026785040.db2.gz NUCMGVXRPZKGER-WIYYLYMNSA-N 1 2 370.493 2.569 20 10 FFCDLO C[NH+](C)[C@@]1(C(=O)NCc2cccc(Cl)c2O)COc2ccccc2C1 ZINC001159041598 1027242581 /nfs/dbraw/zinc/24/25/81/1027242581.db2.gz UABVBJVYRSVBCN-LJQANCHMSA-N 1 2 360.841 2.597 20 10 FFCDLO CCCN(CCC)C(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001160860758 1027902863 /nfs/dbraw/zinc/90/28/63/1027902863.db2.gz CBLOHQWRLQFWNY-UHFFFAOYSA-N 1 2 360.454 2.887 20 10 FFCDLO CCCN(CCC)C(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001160860758 1027902879 /nfs/dbraw/zinc/90/28/79/1027902879.db2.gz CBLOHQWRLQFWNY-UHFFFAOYSA-N 1 2 360.454 2.887 20 10 FFCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)CC1COC1 ZINC001203568863 1030769283 /nfs/dbraw/zinc/76/92/83/1030769283.db2.gz YEQPTDXDUOWGOL-UHFFFAOYSA-N 1 2 365.065 2.995 20 10 FFCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)CC1COC1 ZINC001203568863 1030769304 /nfs/dbraw/zinc/76/93/04/1030769304.db2.gz YEQPTDXDUOWGOL-UHFFFAOYSA-N 1 2 365.065 2.995 20 10 FFCDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(F)c(F)c1O ZINC001204220602 1031171151 /nfs/dbraw/zinc/17/11/51/1031171151.db2.gz HIYSEHAHJNIZAY-UHFFFAOYSA-N 1 2 352.356 2.948 20 10 FFCDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(F)c(F)c1O ZINC001204220602 1031171164 /nfs/dbraw/zinc/17/11/64/1031171164.db2.gz HIYSEHAHJNIZAY-UHFFFAOYSA-N 1 2 352.356 2.948 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(c2nccs2)CC1 ZINC001139126271 1034956860 /nfs/dbraw/zinc/95/68/60/1034956860.db2.gz DDXYJEDRYAHOHB-UHFFFAOYSA-N 1 2 357.435 2.586 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001139126700 1034957141 /nfs/dbraw/zinc/95/71/41/1034957141.db2.gz NDRBGWWTJRKBFP-ZIAGYGMSSA-N 1 2 371.355 2.942 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001139126700 1034957146 /nfs/dbraw/zinc/95/71/46/1034957146.db2.gz NDRBGWWTJRKBFP-ZIAGYGMSSA-N 1 2 371.355 2.942 20 10 FFCDLO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139128394 1034957935 /nfs/dbraw/zinc/95/79/35/1034957935.db2.gz SUTRCMUDIVPEND-NRFANRHFSA-N 1 2 370.449 2.784 20 10 FFCDLO CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139128394 1034957940 /nfs/dbraw/zinc/95/79/40/1034957940.db2.gz SUTRCMUDIVPEND-NRFANRHFSA-N 1 2 370.449 2.784 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(c2ncccn2)CC1 ZINC001139129219 1034959192 /nfs/dbraw/zinc/95/91/92/1034959192.db2.gz QWQYIHKLIZPVKB-UHFFFAOYSA-N 1 2 351.406 2.977 20 10 FFCDLO Cc1nc(C2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)no1 ZINC001139129039 1034959386 /nfs/dbraw/zinc/95/93/86/1034959386.db2.gz LVTSCQUWWFSQPE-UHFFFAOYSA-N 1 2 355.394 2.878 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC001139132104 1034960113 /nfs/dbraw/zinc/96/01/13/1034960113.db2.gz TYBVFDRMOWFBAL-UHFFFAOYSA-N 1 2 366.417 2.835 20 10 FFCDLO CCOc1ccncc1C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001139631876 1035185115 /nfs/dbraw/zinc/18/51/15/1035185115.db2.gz GYOHUIWFTOISON-UHFFFAOYSA-N 1 2 371.481 2.828 20 10 FFCDLO c1cncc(COc2ccc(N3CC[NH+](Cc4ccncn4)CC3)cc2)c1 ZINC001140350414 1035449239 /nfs/dbraw/zinc/44/92/39/1035449239.db2.gz LXAYXXLJZWVXHW-UHFFFAOYSA-N 1 2 361.449 2.773 20 10 FFCDLO Oc1cc(O)c(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1Cl ZINC001232258192 1035529123 /nfs/dbraw/zinc/52/91/23/1035529123.db2.gz SNOWHAVOFDCKDI-HOTGVXAUSA-N 1 2 359.857 2.710 20 10 FFCDLO Oc1cc(O)c(CN2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1Cl ZINC001232258192 1035529136 /nfs/dbraw/zinc/52/91/36/1035529136.db2.gz SNOWHAVOFDCKDI-HOTGVXAUSA-N 1 2 359.857 2.710 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CCC[N@H+](C)CC2)c1O ZINC001227493064 1035580481 /nfs/dbraw/zinc/58/04/81/1035580481.db2.gz CTAYDIWNVONZHH-NSHDSACASA-N 1 2 371.455 2.670 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CCC[N@@H+](C)CC2)c1O ZINC001227493064 1035580496 /nfs/dbraw/zinc/58/04/96/1035580496.db2.gz CTAYDIWNVONZHH-NSHDSACASA-N 1 2 371.455 2.670 20 10 FFCDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@H+]2Cc1cc(Cl)c(O)cc1O ZINC001277665724 1035692176 /nfs/dbraw/zinc/69/21/76/1035692176.db2.gz PHFIIFIQSSYSRY-INIZCTEOSA-N 1 2 360.788 2.583 20 10 FFCDLO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001277665724 1035692183 /nfs/dbraw/zinc/69/21/83/1035692183.db2.gz PHFIIFIQSSYSRY-INIZCTEOSA-N 1 2 360.788 2.583 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(F)cnc3C)CC2)cc1 ZINC001232992371 1036228334 /nfs/dbraw/zinc/22/83/34/1036228334.db2.gz KACYASVEVLPDQX-UHFFFAOYSA-N 1 2 359.445 2.877 20 10 FFCDLO Cc1cc(C)c(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000836248159 1036354837 /nfs/dbraw/zinc/35/48/37/1036354837.db2.gz FJEKXLWQOOTYSP-UHFFFAOYSA-N 1 2 354.454 2.534 20 10 FFCDLO CC(C)(C)OC(=O)NC1C[NH+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233728136 1036736413 /nfs/dbraw/zinc/73/64/13/1036736413.db2.gz TUTLLOYHRGFXDW-UHFFFAOYSA-N 1 2 362.348 3.000 20 10 FFCDLO C[N@H+](Cc1nnc2ccccn21)Cc1cccc(OC(F)(F)F)c1O ZINC001233737147 1036738317 /nfs/dbraw/zinc/73/83/17/1036738317.db2.gz XCLWMCAWVMROJR-UHFFFAOYSA-N 1 2 352.316 2.966 20 10 FFCDLO C[N@@H+](Cc1nnc2ccccn21)Cc1cccc(OC(F)(F)F)c1O ZINC001233737147 1036738333 /nfs/dbraw/zinc/73/83/33/1036738333.db2.gz XCLWMCAWVMROJR-UHFFFAOYSA-N 1 2 352.316 2.966 20 10 FFCDLO C[C@H](C[NH+](C)C)Oc1c(O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229700050 1036838506 /nfs/dbraw/zinc/83/85/06/1036838506.db2.gz PLEIJKYIJWVTQG-LLVKDONJSA-N 1 2 371.389 2.906 20 10 FFCDLO C[C@@H](C[NH+](C)C)Oc1c(O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229700053 1036838789 /nfs/dbraw/zinc/83/87/89/1036838789.db2.gz PLEIJKYIJWVTQG-NSHDSACASA-N 1 2 371.389 2.906 20 10 FFCDLO Cc1cc(Cl)cc(C[NH+]2CC3(C2)COCC(=O)N3C2CCCC2)c1O ZINC001277440010 1037036722 /nfs/dbraw/zinc/03/67/22/1037036722.db2.gz UZZJJLUZNPMTQT-UHFFFAOYSA-N 1 2 364.873 2.710 20 10 FFCDLO O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O[C@@H]3C[NH+]4CCC3CC4)c21 ZINC001234748301 1037163583 /nfs/dbraw/zinc/16/35/83/1037163583.db2.gz IISQYLHAYSJLFM-GOSISDBHSA-N 1 2 369.373 2.536 20 10 FFCDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234987750 1037280599 /nfs/dbraw/zinc/28/05/99/1037280599.db2.gz JTWDUSAAULGBRR-LJQANCHMSA-N 1 2 364.449 2.934 20 10 FFCDLO O=C1OCCC12CC[NH+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001235305712 1037463902 /nfs/dbraw/zinc/46/39/02/1037463902.db2.gz PQHFZBCQMBUWPL-UHFFFAOYSA-N 1 2 358.207 2.823 20 10 FFCDLO CC(C)=CCN1CC2(C[NH+](Cc3ccc(C(C)C)cc3O)C2)OCC1=O ZINC001277966261 1037719335 /nfs/dbraw/zinc/71/93/35/1037719335.db2.gz MAVNCXQAZAISQL-UHFFFAOYSA-N 1 2 358.482 2.895 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231909812 1038004416 /nfs/dbraw/zinc/00/44/16/1038004416.db2.gz QCCGGTCUHNXZJD-CHWSQXEVSA-N 1 2 356.850 2.506 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231909812 1038004423 /nfs/dbraw/zinc/00/44/23/1038004423.db2.gz QCCGGTCUHNXZJD-CHWSQXEVSA-N 1 2 356.850 2.506 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3ccncn3)CC2)c1 ZINC001236668393 1038181772 /nfs/dbraw/zinc/18/17/72/1038181772.db2.gz DAQQJPBRAMBQHD-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236763482 1038247835 /nfs/dbraw/zinc/24/78/35/1038247835.db2.gz AFDPCDWCWRQXGP-GFCCVEGCSA-N 1 2 371.275 2.597 20 10 FFCDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236763482 1038247848 /nfs/dbraw/zinc/24/78/48/1038247848.db2.gz AFDPCDWCWRQXGP-GFCCVEGCSA-N 1 2 371.275 2.597 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)nc1 ZINC001236810877 1038285926 /nfs/dbraw/zinc/28/59/26/1038285926.db2.gz ZSFIFBJLRXDNGF-UHFFFAOYSA-N 1 2 363.845 2.780 20 10 FFCDLO CCCCN1C[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023222 1038333697 /nfs/dbraw/zinc/33/36/97/1038333697.db2.gz OXFAZHLZWOMGBB-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO CCCCN1C[C@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023222 1038333710 /nfs/dbraw/zinc/33/37/10/1038333710.db2.gz OXFAZHLZWOMGBB-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO CN1CCN(c2ccc(C[NH+]3CCSCC3)cc2Br)CC1 ZINC001237096098 1038441761 /nfs/dbraw/zinc/44/17/61/1038441761.db2.gz OKQOIYJXHCWPOS-UHFFFAOYSA-N 1 2 370.360 2.750 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256782331 1038619854 /nfs/dbraw/zinc/61/98/54/1038619854.db2.gz MHCDXPTVGZTOGZ-ZWOKBUDYSA-N 1 2 371.433 2.692 20 10 FFCDLO Cc1cc(C[NH+]2CCN(c3cnccn3)CC2)c(O)cc1Br ZINC001250120773 1041120701 /nfs/dbraw/zinc/12/07/01/1041120701.db2.gz PYUVSEGIKZAFBH-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO COCCOCN1CCCC2(CC[NH+](Cc3c(O)cccc3F)CC2)C1 ZINC001279421249 1043094500 /nfs/dbraw/zinc/09/45/00/1043094500.db2.gz CNLZVRDYPGPFQV-UHFFFAOYSA-N 1 2 366.477 2.830 20 10 FFCDLO COCCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237621094 1043277524 /nfs/dbraw/zinc/27/75/24/1043277524.db2.gz UIAAGPKCEOHFJV-UHFFFAOYSA-N 1 2 370.852 2.788 20 10 FFCDLO COc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c(OC)c1 ZINC001237669639 1043302107 /nfs/dbraw/zinc/30/21/07/1043302107.db2.gz MFIQESZIDLDVIF-OKILXGFUSA-N 1 2 364.442 2.603 20 10 FFCDLO COc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c(OC)c1 ZINC001237669639 1043302110 /nfs/dbraw/zinc/30/21/10/1043302110.db2.gz MFIQESZIDLDVIF-OKILXGFUSA-N 1 2 364.442 2.603 20 10 FFCDLO [NH3+]C1CN(c2cccc(NS(=O)(=O)c3cc(Cl)c(F)cc3F)c2)C1 ZINC001237814392 1043376293 /nfs/dbraw/zinc/37/62/93/1043376293.db2.gz ULFRQWKVVFDTKI-UHFFFAOYSA-N 1 2 373.812 2.566 20 10 FFCDLO CCOc1ccc(N2CCC[C@]3(C2)C[N@H+](Cc2cn[nH]c2)CCO3)cc1 ZINC001279731516 1043545747 /nfs/dbraw/zinc/54/57/47/1043545747.db2.gz JASRWSPSJLRGLT-HXUWFJFHSA-N 1 2 356.470 2.680 20 10 FFCDLO CCOc1ccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cn[nH]c2)CCO3)cc1 ZINC001279731516 1043545751 /nfs/dbraw/zinc/54/57/51/1043545751.db2.gz JASRWSPSJLRGLT-HXUWFJFHSA-N 1 2 356.470 2.680 20 10 FFCDLO O=C(Nc1nnco1)c1cc2c([nH]1)C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001279982524 1044030903 /nfs/dbraw/zinc/03/09/03/1044030903.db2.gz RMVOJJVRARPTEN-UHFFFAOYSA-N 1 2 373.800 2.567 20 10 FFCDLO O=C(Nc1nnco1)c1cc2c([nH]1)C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001279982524 1044030917 /nfs/dbraw/zinc/03/09/17/1044030917.db2.gz RMVOJJVRARPTEN-UHFFFAOYSA-N 1 2 373.800 2.567 20 10 FFCDLO COc1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@]32C(=O)Nc2onc(C)c2C)c1 ZINC001279983712 1044035220 /nfs/dbraw/zinc/03/52/20/1044035220.db2.gz OSQFFZGNDMJDRB-IFXJQAMLSA-N 1 2 357.410 2.609 20 10 FFCDLO COc1ccc(O)c(C[N@H+]2CC[C@H]3C[C@]32C(=O)Nc2onc(C)c2C)c1 ZINC001279983712 1044035236 /nfs/dbraw/zinc/03/52/36/1044035236.db2.gz OSQFFZGNDMJDRB-IFXJQAMLSA-N 1 2 357.410 2.609 20 10 FFCDLO CCN(C(=O)c1noc2c1C[N@H+](Cc1cc(F)ccc1O)CC2)C(C)C ZINC001280292633 1044558689 /nfs/dbraw/zinc/55/86/89/1044558689.db2.gz DJDZUCZGWNLIJH-UHFFFAOYSA-N 1 2 361.417 2.948 20 10 FFCDLO CCN(C(=O)c1noc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2)C(C)C ZINC001280292633 1044558704 /nfs/dbraw/zinc/55/87/04/1044558704.db2.gz DJDZUCZGWNLIJH-UHFFFAOYSA-N 1 2 361.417 2.948 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001540494621 1070908127 /nfs/dbraw/zinc/90/81/27/1070908127.db2.gz YLIOJVJRPNXRNY-FQEVSTJZSA-N 1 2 353.466 2.652 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001540494621 1070908134 /nfs/dbraw/zinc/90/81/34/1070908134.db2.gz YLIOJVJRPNXRNY-FQEVSTJZSA-N 1 2 353.466 2.652 20 10 FFCDLO CC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[N@@H+]1CCO[C@@H](CC)C1 ZINC001294870589 1049824184 /nfs/dbraw/zinc/82/41/84/1049824184.db2.gz XXXLUHXTWNRENK-LPHOPBHVSA-N 1 2 360.498 2.777 20 10 FFCDLO CC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[N@H+]1CCO[C@@H](CC)C1 ZINC001294870589 1049824194 /nfs/dbraw/zinc/82/41/94/1049824194.db2.gz XXXLUHXTWNRENK-LPHOPBHVSA-N 1 2 360.498 2.777 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)cc1 ZINC001542089262 1071167305 /nfs/dbraw/zinc/16/73/05/1071167305.db2.gz IFAAVLZENIHYDC-IBGZPJMESA-N 1 2 355.486 2.953 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)cc1 ZINC001542089262 1071167309 /nfs/dbraw/zinc/16/73/09/1071167309.db2.gz IFAAVLZENIHYDC-IBGZPJMESA-N 1 2 355.486 2.953 20 10 FFCDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000763410382 1061246103 /nfs/dbraw/zinc/24/61/03/1061246103.db2.gz KJTAXDCIXFUHNS-CQSZACIVSA-N 1 2 357.410 2.988 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)Cc1cc(C)cc(OC)c1O ZINC001462372882 1061596346 /nfs/dbraw/zinc/59/63/46/1061596346.db2.gz QDAUKOJLMRWBSC-UHFFFAOYSA-N 1 2 359.422 2.980 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)Cc1cc(C)cc(OC)c1O ZINC001462372882 1061596366 /nfs/dbraw/zinc/59/63/66/1061596366.db2.gz QDAUKOJLMRWBSC-UHFFFAOYSA-N 1 2 359.422 2.980 20 10 FFCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894655 1063588298 /nfs/dbraw/zinc/58/82/98/1063588298.db2.gz ZSWXICFJOOKYAP-CQSZACIVSA-N 1 2 361.409 2.803 20 10 FFCDLO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001560290752 1076260801 /nfs/dbraw/zinc/26/08/01/1076260801.db2.gz NDHKQUMPTCYDFN-SNVBAGLBSA-N 1 2 372.849 2.944 20 10 FFCDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cccc(Cl)c2O)cn1 ZINC001563697525 1076576148 /nfs/dbraw/zinc/57/61/48/1076576148.db2.gz BCXMHGDCUHSIFM-UHFFFAOYSA-N 1 2 371.828 2.934 20 10 FFCDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1ccccc1[N+](=O)[O-] ZINC001589870180 1080818583 /nfs/dbraw/zinc/81/85/83/1080818583.db2.gz PCQQHVAZKSPARW-RYUDHWBXSA-N 1 2 368.397 2.935 20 10 FFCDLO C[C@@H]([NH2+]CCCOCc1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589960885 1080904515 /nfs/dbraw/zinc/90/45/15/1080904515.db2.gz JREWKIGSMNIKPX-CQSZACIVSA-N 1 2 353.426 2.830 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(N)=O)CC2)c(C)n1-c1ccccc1C ZINC000081540489 508187538 /nfs/dbraw/zinc/18/75/38/508187538.db2.gz KXOBQOKXMVUSCA-UHFFFAOYSA-N 1 2 368.481 2.718 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2nc3ccccc3o2)cc1 ZINC000153847153 508661239 /nfs/dbraw/zinc/66/12/39/508661239.db2.gz VWALOXWTYDUIEM-UHFFFAOYSA-N 1 2 366.465 2.984 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2nc3ccccc3o2)cc1 ZINC000153847153 508661241 /nfs/dbraw/zinc/66/12/41/508661241.db2.gz VWALOXWTYDUIEM-UHFFFAOYSA-N 1 2 366.465 2.984 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH+]1CCC(O)CC1 ZINC000179584867 509524056 /nfs/dbraw/zinc/52/40/56/509524056.db2.gz MMADFBRGJATUIW-UHFFFAOYSA-N 1 2 365.065 2.874 20 10 FFCDLO C[N@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000181054958 510260277 /nfs/dbraw/zinc/26/02/77/510260277.db2.gz UUVMWKPYDLARMC-UHFFFAOYSA-N 1 2 367.497 2.959 20 10 FFCDLO C[N@@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000181054958 510260285 /nfs/dbraw/zinc/26/02/85/510260285.db2.gz UUVMWKPYDLARMC-UHFFFAOYSA-N 1 2 367.497 2.959 20 10 FFCDLO O=C(c1ccc2[nH+]ccn2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000172229766 510611065 /nfs/dbraw/zinc/61/10/65/510611065.db2.gz CZZMLJJTINIDIQ-KRWDZBQOSA-N 1 2 351.406 2.861 20 10 FFCDLO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000195016242 510632398 /nfs/dbraw/zinc/63/23/98/510632398.db2.gz ZCRQQZZKHORXIK-NRFANRHFSA-N 1 2 355.434 2.963 20 10 FFCDLO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000195016242 510632401 /nfs/dbraw/zinc/63/24/01/510632401.db2.gz ZCRQQZZKHORXIK-NRFANRHFSA-N 1 2 355.434 2.963 20 10 FFCDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000266631469 510698753 /nfs/dbraw/zinc/69/87/53/510698753.db2.gz PPMJWEGLXBFZPQ-LBPRGKRZSA-N 1 2 363.414 2.870 20 10 FFCDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000266631469 510698757 /nfs/dbraw/zinc/69/87/57/510698757.db2.gz PPMJWEGLXBFZPQ-LBPRGKRZSA-N 1 2 363.414 2.870 20 10 FFCDLO COc1cc(O)c(C[N@H+](C)Cc2cnn(-c3ccccc3)n2)cc1OC ZINC000271088307 511079597 /nfs/dbraw/zinc/07/95/97/511079597.db2.gz JYAYAORSHGYLJH-UHFFFAOYSA-N 1 2 354.410 2.622 20 10 FFCDLO COc1cc(O)c(C[N@@H+](C)Cc2cnn(-c3ccccc3)n2)cc1OC ZINC000271088307 511079599 /nfs/dbraw/zinc/07/95/99/511079599.db2.gz JYAYAORSHGYLJH-UHFFFAOYSA-N 1 2 354.410 2.622 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000290987874 511155653 /nfs/dbraw/zinc/15/56/53/511155653.db2.gz UUTDISXGMVQYAZ-LBPRGKRZSA-N 1 2 352.778 2.606 20 10 FFCDLO COc1c(O)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000290987874 511155660 /nfs/dbraw/zinc/15/56/60/511155660.db2.gz UUTDISXGMVQYAZ-LBPRGKRZSA-N 1 2 352.778 2.606 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CCn4c[nH+]cc4C3)ccc21 ZINC000291002582 511156913 /nfs/dbraw/zinc/15/69/13/511156913.db2.gz YVZYIDOZNFHUES-UHFFFAOYSA-N 1 2 352.438 2.757 20 10 FFCDLO C[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(F)c(F)c1O ZINC000291113668 511159046 /nfs/dbraw/zinc/15/90/46/511159046.db2.gz CFOVZKPQZPINSN-GFCCVEGCSA-N 1 2 361.392 2.775 20 10 FFCDLO C[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(F)c(F)c1O ZINC000291113668 511159053 /nfs/dbraw/zinc/15/90/53/511159053.db2.gz CFOVZKPQZPINSN-GFCCVEGCSA-N 1 2 361.392 2.775 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294820402 511189378 /nfs/dbraw/zinc/18/93/78/511189378.db2.gz KNIGJGSFAMHJIM-DTORHVGOSA-N 1 2 351.038 2.530 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000283503978 511391548 /nfs/dbraw/zinc/39/15/48/511391548.db2.gz DWFWNGKPEZAHGF-UHFFFAOYSA-N 1 2 357.410 2.563 20 10 FFCDLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302332211 511708504 /nfs/dbraw/zinc/70/85/04/511708504.db2.gz ADOZVBJMFLRMMK-CVEARBPZSA-N 1 2 355.486 2.924 20 10 FFCDLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302332211 511708505 /nfs/dbraw/zinc/70/85/05/511708505.db2.gz ADOZVBJMFLRMMK-CVEARBPZSA-N 1 2 355.486 2.924 20 10 FFCDLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302332226 511708526 /nfs/dbraw/zinc/70/85/26/511708526.db2.gz ADOZVBJMFLRMMK-HZPDHXFCSA-N 1 2 355.486 2.924 20 10 FFCDLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302332226 511708527 /nfs/dbraw/zinc/70/85/27/511708527.db2.gz ADOZVBJMFLRMMK-HZPDHXFCSA-N 1 2 355.486 2.924 20 10 FFCDLO CCn1nc(C)c(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 ZINC000296443903 511744727 /nfs/dbraw/zinc/74/47/27/511744727.db2.gz NVQACSFJKZDUMW-ZIAGYGMSSA-N 1 2 361.465 2.649 20 10 FFCDLO COc1ccc([C@H](C[NH+](C)C)NCc2cc(OC)c(OC)cc2O)cc1 ZINC000285284154 512064022 /nfs/dbraw/zinc/06/40/22/512064022.db2.gz VBJRASSJQFERQK-KRWDZBQOSA-N 1 2 360.454 2.811 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCOC12CCOCC2 ZINC000898112292 735315385 /nfs/dbraw/zinc/31/53/85/735315385.db2.gz LYBJJPLXJDUFBP-ZDUSSCGKSA-N 1 2 360.223 2.722 20 10 FFCDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000131250135 728721865 /nfs/dbraw/zinc/72/18/65/728721865.db2.gz PXDUSMCZAFJPPG-UHFFFAOYSA-N 1 2 368.886 2.764 20 10 FFCDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000131250135 728721866 /nfs/dbraw/zinc/72/18/66/728721866.db2.gz PXDUSMCZAFJPPG-UHFFFAOYSA-N 1 2 368.886 2.764 20 10 FFCDLO C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000134913713 728734063 /nfs/dbraw/zinc/73/40/63/728734063.db2.gz AUZZCHBPCBACHJ-RQJHMYQMSA-N 1 2 353.054 2.949 20 10 FFCDLO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000858587399 730429368 /nfs/dbraw/zinc/42/93/68/730429368.db2.gz MXTUIJPPHIIIJT-HTQZYQBOSA-N 1 2 365.655 2.867 20 10 FFCDLO CN(C)c1cc(F)c(CN2CCCC[C@@H]2C[NH+]2CCOCC2)cc1F ZINC000862238712 730680018 /nfs/dbraw/zinc/68/00/18/730680018.db2.gz GTSHOXSDFKNFLG-MRXNPFEDSA-N 1 2 353.457 2.718 20 10 FFCDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862387244 730695646 /nfs/dbraw/zinc/69/56/46/730695646.db2.gz IQTBQICYZUTNMA-NSHDSACASA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC000862387244 730695648 /nfs/dbraw/zinc/69/56/48/730695648.db2.gz IQTBQICYZUTNMA-NSHDSACASA-N 1 2 362.289 2.554 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cn(C)nc2Br)cc1 ZINC000862402168 730697650 /nfs/dbraw/zinc/69/76/50/730697650.db2.gz DOQBCRBHDDXQPM-UHFFFAOYSA-N 1 2 367.291 2.759 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(C)nc2Br)cc1 ZINC000862402168 730697652 /nfs/dbraw/zinc/69/76/52/730697652.db2.gz DOQBCRBHDDXQPM-UHFFFAOYSA-N 1 2 367.291 2.759 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000862536321 730707401 /nfs/dbraw/zinc/70/74/01/730707401.db2.gz JNENKKNGSQRFCA-MRXNPFEDSA-N 1 2 365.836 2.570 20 10 FFCDLO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccc(Br)c3O)C2)c1 ZINC000877478497 732369343 /nfs/dbraw/zinc/36/93/43/732369343.db2.gz JJNPFRJZMVBUGE-UHFFFAOYSA-N 1 2 367.203 2.753 20 10 FFCDLO C[N@H+](Cc1nccn1CC(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000877923297 732452601 /nfs/dbraw/zinc/45/26/01/732452601.db2.gz NAQDHWDKSPETOD-UHFFFAOYSA-N 1 2 350.413 2.617 20 10 FFCDLO C[N@@H+](Cc1nccn1CC(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000877923297 732452604 /nfs/dbraw/zinc/45/26/04/732452604.db2.gz NAQDHWDKSPETOD-UHFFFAOYSA-N 1 2 350.413 2.617 20 10 FFCDLO CC(=O)NC1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882955641 733314174 /nfs/dbraw/zinc/31/41/74/733314174.db2.gz OWTYHSSPIUAKCE-UHFFFAOYSA-N 1 2 359.239 2.831 20 10 FFCDLO COC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@@H]1CCCOC1 ZINC000886355509 733776463 /nfs/dbraw/zinc/77/64/63/733776463.db2.gz JPGZILVVPULBJV-YGRLFVJLSA-N 1 2 362.239 2.825 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000720426011 734379151 /nfs/dbraw/zinc/37/91/51/734379151.db2.gz VSODKSLELBYYOR-ZIAGYGMSSA-N 1 2 357.317 2.824 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000728285837 734521812 /nfs/dbraw/zinc/52/18/12/734521812.db2.gz XDBYUSKZASGOEH-UHFFFAOYSA-N 1 2 361.511 2.996 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000728285837 734521814 /nfs/dbraw/zinc/52/18/14/734521814.db2.gz XDBYUSKZASGOEH-UHFFFAOYSA-N 1 2 361.511 2.996 20 10 FFCDLO COC(=O)c1cnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000894209116 734818484 /nfs/dbraw/zinc/81/84/84/734818484.db2.gz NQHBFFOMNMTBPD-ZDUSSCGKSA-N 1 2 361.467 2.617 20 10 FFCDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894783575 734916065 /nfs/dbraw/zinc/91/60/65/734916065.db2.gz VYGSIBVEAMILAS-LBPRGKRZSA-N 1 2 350.228 2.512 20 10 FFCDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894783575 734916067 /nfs/dbraw/zinc/91/60/67/734916067.db2.gz VYGSIBVEAMILAS-LBPRGKRZSA-N 1 2 350.228 2.512 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897259151 735211752 /nfs/dbraw/zinc/21/17/52/735211752.db2.gz YEWWGFOPRZMZAD-ZDUSSCGKSA-N 1 2 374.250 2.800 20 10 FFCDLO COc1ccc(N2CCC[N@H+](CN3C(=O)SC(C)(C)C3=O)CC2)cc1 ZINC000753989575 736113210 /nfs/dbraw/zinc/11/32/10/736113210.db2.gz BHPUGAFGCIDDHU-UHFFFAOYSA-N 1 2 363.483 2.639 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](CN3C(=O)SC(C)(C)C3=O)CC2)cc1 ZINC000753989575 736113213 /nfs/dbraw/zinc/11/32/13/736113213.db2.gz BHPUGAFGCIDDHU-UHFFFAOYSA-N 1 2 363.483 2.639 20 10 FFCDLO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(Br)c(F)cc1O ZINC000756365179 736325361 /nfs/dbraw/zinc/32/53/61/736325361.db2.gz ZSPOVQQVDICERS-JTQLQIEISA-N 1 2 359.239 2.957 20 10 FFCDLO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000756555153 736342330 /nfs/dbraw/zinc/34/23/30/736342330.db2.gz SFRPOGLNIFCTPO-ZYHUDNBSSA-N 1 2 361.255 2.665 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2n[nH]cc2Br)c1 ZINC000756583761 736345153 /nfs/dbraw/zinc/34/51/53/736345153.db2.gz BGQPUESOKKLYAF-MRVPVSSYSA-N 1 2 354.204 2.515 20 10 FFCDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2cccc(Cl)c2O)C1 ZINC000908329575 736758863 /nfs/dbraw/zinc/75/88/63/736758863.db2.gz RVQBOMKPOWMETG-UHFFFAOYSA-N 1 2 366.870 2.512 20 10 FFCDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2cccc(Cl)c2O)C1 ZINC000908329575 736758864 /nfs/dbraw/zinc/75/88/64/736758864.db2.gz RVQBOMKPOWMETG-UHFFFAOYSA-N 1 2 366.870 2.512 20 10 FFCDLO COC(=O)C1([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCCC1 ZINC000774887320 738036653 /nfs/dbraw/zinc/03/66/53/738036653.db2.gz QKNAZLFMUBITCU-UHFFFAOYSA-N 1 2 352.387 2.617 20 10 FFCDLO COC(=O)C1([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCCC1 ZINC000774887320 738036655 /nfs/dbraw/zinc/03/66/55/738036655.db2.gz QKNAZLFMUBITCU-UHFFFAOYSA-N 1 2 352.387 2.617 20 10 FFCDLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775663582 738110437 /nfs/dbraw/zinc/11/04/37/738110437.db2.gz OGYWIASKKRUXPV-NWDGAFQWSA-N 1 2 358.841 2.548 20 10 FFCDLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775663582 738110439 /nfs/dbraw/zinc/11/04/39/738110439.db2.gz OGYWIASKKRUXPV-NWDGAFQWSA-N 1 2 358.841 2.548 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc(Br)cc(F)c1O ZINC000795830281 740068455 /nfs/dbraw/zinc/06/84/55/740068455.db2.gz VAZSDUWONNHXHV-DCAQKATOSA-N 1 2 362.239 2.589 20 10 FFCDLO C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1O)C(=O)NCCF ZINC000800499328 740528704 /nfs/dbraw/zinc/52/87/04/740528704.db2.gz WRUUZVAGFBJHQZ-HTQZYQBOSA-N 1 2 367.646 2.933 20 10 FFCDLO CCS(=O)(=O)N1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000809725553 741337509 /nfs/dbraw/zinc/33/75/09/741337509.db2.gz WBAITWKYIWUCOL-QGZVFWFLSA-N 1 2 365.543 2.533 20 10 FFCDLO CCS(=O)(=O)N1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000809725553 741337512 /nfs/dbraw/zinc/33/75/12/741337512.db2.gz WBAITWKYIWUCOL-QGZVFWFLSA-N 1 2 365.543 2.533 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCc1c[nH+]cn1C ZINC000812488204 741624140 /nfs/dbraw/zinc/62/41/40/741624140.db2.gz UFGYBNNOCBBUEN-UHFFFAOYSA-N 1 2 367.247 2.620 20 10 FFCDLO NC(=O)C[N@@H+]1CCc2ccc(NCc3cc(Cl)c(F)cc3O)cc2C1 ZINC000816594235 742045313 /nfs/dbraw/zinc/04/53/13/742045313.db2.gz UTZVDBVWIUGNIA-UHFFFAOYSA-N 1 2 363.820 2.640 20 10 FFCDLO NC(=O)C[N@H+]1CCc2ccc(NCc3cc(Cl)c(F)cc3O)cc2C1 ZINC000816594235 742045317 /nfs/dbraw/zinc/04/53/17/742045317.db2.gz UTZVDBVWIUGNIA-UHFFFAOYSA-N 1 2 363.820 2.640 20 10 FFCDLO OC[C@@]1([C@H]([NH2+]Cc2cccc(Br)c2O)C2CC2)CCCO1 ZINC000816667696 742052231 /nfs/dbraw/zinc/05/22/31/742052231.db2.gz UPBMFFYTSAVUQQ-HZPDHXFCSA-N 1 2 356.260 2.564 20 10 FFCDLO C[NH2+]CC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817952085 742223680 /nfs/dbraw/zinc/22/36/80/742223680.db2.gz MXAFRDZVTHNREU-SSDOTTSWSA-N 1 2 352.070 2.787 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)nc1 ZINC000825306046 743246025 /nfs/dbraw/zinc/24/60/25/743246025.db2.gz YUOOZIKYZXLUBW-UHFFFAOYSA-N 1 2 351.809 2.911 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000832298278 745674303 /nfs/dbraw/zinc/67/43/03/745674303.db2.gz KQRRTEGAGVPFJS-XPTSAGLGSA-N 1 2 351.752 2.993 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000832298278 745674306 /nfs/dbraw/zinc/67/43/06/745674306.db2.gz KQRRTEGAGVPFJS-XPTSAGLGSA-N 1 2 351.752 2.993 20 10 FFCDLO CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000840889164 747213567 /nfs/dbraw/zinc/21/35/67/747213567.db2.gz PITMIJNUDXOCQW-SECBINFHSA-N 1 2 368.268 2.769 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)cc(F)c1O ZINC000846206612 748430541 /nfs/dbraw/zinc/43/05/41/748430541.db2.gz QSZYWIXINVNLLV-NXEZZACHSA-N 1 2 371.250 2.955 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)c(F)cc1O ZINC000848564226 748961760 /nfs/dbraw/zinc/96/17/60/748961760.db2.gz JYYANMHMDLCFMI-BDAKNGLRSA-N 1 2 369.238 2.630 20 10 FFCDLO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000850354199 749350643 /nfs/dbraw/zinc/35/06/43/749350643.db2.gz XWFCLRKDARRYFF-UXIGCNINSA-N 1 2 358.276 2.810 20 10 FFCDLO CO[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@@H]1CCOC1 ZINC000850484632 749371513 /nfs/dbraw/zinc/37/15/13/749371513.db2.gz NHACSQMKNZTPRB-IMSIIYSGSA-N 1 2 362.239 2.996 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837037 1013059102 /nfs/dbraw/zinc/05/91/02/1013059102.db2.gz AOQBFRMQKXMSIL-XIKOKIGWSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837037 1013059121 /nfs/dbraw/zinc/05/91/21/1013059121.db2.gz AOQBFRMQKXMSIL-XIKOKIGWSA-N 1 2 350.846 2.590 20 10 FFCDLO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000871869895 1013094681 /nfs/dbraw/zinc/09/46/81/1013094681.db2.gz BQFKXUJGCAELPJ-KBPBESRZSA-N 1 2 359.426 2.710 20 10 FFCDLO O=C(CCC1CCCC1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000026628812 972320712 /nfs/dbraw/zinc/32/07/12/972320712.db2.gz HDMCQSJRLAEBQF-UHFFFAOYSA-N 1 2 360.454 2.736 20 10 FFCDLO O=C(Cc1ccsc1)N1CC2(C1)C[NH+](Cc1cc(F)c(F)cc1O)C2 ZINC001279108821 964324948 /nfs/dbraw/zinc/32/49/48/964324948.db2.gz WYZYAZNWDHTVJI-UHFFFAOYSA-N 1 2 364.417 2.619 20 10 FFCDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c(O)c1OC ZINC000891586889 964518727 /nfs/dbraw/zinc/51/87/27/964518727.db2.gz KMYZXCWSBZLUJR-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO COc1ccc(C[N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1O ZINC000177217883 969131960 /nfs/dbraw/zinc/13/19/60/969131960.db2.gz UURGLMWXWNCTPV-UHFFFAOYSA-N 1 2 371.481 2.557 20 10 FFCDLO COc1ccc(C[N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1O ZINC000177217883 969131967 /nfs/dbraw/zinc/13/19/67/969131967.db2.gz UURGLMWXWNCTPV-UHFFFAOYSA-N 1 2 371.481 2.557 20 10 FFCDLO CN(C)c1ccc(C[N@H+](Cc2cn(C[C@@H]3CCOC3)nn2)C2CC2)cc1 ZINC000876571234 1014308095 /nfs/dbraw/zinc/30/80/95/1014308095.db2.gz VIZWNPVUTCILOG-KRWDZBQOSA-N 1 2 355.486 2.545 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](Cc2cn(C[C@@H]3CCOC3)nn2)C2CC2)cc1 ZINC000876571234 1014308104 /nfs/dbraw/zinc/30/81/04/1014308104.db2.gz VIZWNPVUTCILOG-KRWDZBQOSA-N 1 2 355.486 2.545 20 10 FFCDLO C[C@H](N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1)C(F)(F)F ZINC000876798421 1014395842 /nfs/dbraw/zinc/39/58/42/1014395842.db2.gz YLUKCSCQNOODID-HNNXBMFYSA-N 1 2 371.447 2.716 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000729384913 978269271 /nfs/dbraw/zinc/26/92/71/978269271.db2.gz GTDCEILLUBPCAA-HNNXBMFYSA-N 1 2 359.445 2.684 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000729384913 978269275 /nfs/dbraw/zinc/26/92/75/978269275.db2.gz GTDCEILLUBPCAA-HNNXBMFYSA-N 1 2 359.445 2.684 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000729385044 978269804 /nfs/dbraw/zinc/26/98/04/978269804.db2.gz LSRYSBBODNUFKF-KRWDZBQOSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000729385044 978269813 /nfs/dbraw/zinc/26/98/13/978269813.db2.gz LSRYSBBODNUFKF-KRWDZBQOSA-N 1 2 355.482 2.853 20 10 FFCDLO C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000729623641 981180323 /nfs/dbraw/zinc/18/03/23/981180323.db2.gz NOKBKOVNGROJNX-IAGOWNOFSA-N 1 2 374.529 2.536 20 10 FFCDLO COc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142530364 982612589 /nfs/dbraw/zinc/61/25/89/982612589.db2.gz GIFUVEPONSKYEH-LBPRGKRZSA-N 1 2 351.353 2.512 20 10 FFCDLO COc1ccnc(O[C@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142530364 982612590 /nfs/dbraw/zinc/61/25/90/982612590.db2.gz GIFUVEPONSKYEH-LBPRGKRZSA-N 1 2 351.353 2.512 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC000057548036 984503564 /nfs/dbraw/zinc/50/35/64/984503564.db2.gz CPDZCVVICDUFBW-QGZVFWFLSA-N 1 2 353.466 2.522 20 10 FFCDLO CCOc1ccc(-n2c(C)cc(C(=O)C[N@H+](C)CCC(=O)NC)c2C)cc1 ZINC000171670907 985362339 /nfs/dbraw/zinc/36/23/39/985362339.db2.gz IGVIWTLKIDZLCE-UHFFFAOYSA-N 1 2 371.481 2.743 20 10 FFCDLO CCOc1ccc(-n2c(C)cc(C(=O)C[N@@H+](C)CCC(=O)NC)c2C)cc1 ZINC000171670907 985362349 /nfs/dbraw/zinc/36/23/49/985362349.db2.gz IGVIWTLKIDZLCE-UHFFFAOYSA-N 1 2 371.481 2.743 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168675572 987151897 /nfs/dbraw/zinc/15/18/97/987151897.db2.gz FRGLXAKBWPMPJA-BBRMVZONSA-N 1 2 361.825 2.592 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccccc1C ZINC001136874826 996936377 /nfs/dbraw/zinc/93/63/77/996936377.db2.gz UEVVHJVCKADKIZ-UWJYYQICSA-N 1 2 368.525 2.767 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccccc1C ZINC001136874826 996936389 /nfs/dbraw/zinc/93/63/89/996936389.db2.gz UEVVHJVCKADKIZ-UWJYYQICSA-N 1 2 368.525 2.767 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(F)F ZINC000824673792 997047038 /nfs/dbraw/zinc/04/70/38/997047038.db2.gz XRKWKRYUFLUDBI-LLVKDONJSA-N 1 2 374.384 2.759 20 10 FFCDLO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)c(F)cc1O ZINC001144292939 998277196 /nfs/dbraw/zinc/27/71/96/998277196.db2.gz KACBBVMCALFMOQ-INIZCTEOSA-N 1 2 371.250 2.881 20 10 FFCDLO CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)c(F)cc1O ZINC001144292939 998277203 /nfs/dbraw/zinc/27/72/03/998277203.db2.gz KACBBVMCALFMOQ-INIZCTEOSA-N 1 2 371.250 2.881 20 10 FFCDLO COc1ccc(N(C)CCN(C)C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000845244709 998451175 /nfs/dbraw/zinc/45/11/75/998451175.db2.gz AWTXVRQQZSRPJA-UHFFFAOYSA-N 1 2 356.470 2.985 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000741092134 999708272 /nfs/dbraw/zinc/70/82/72/999708272.db2.gz XBYFHUQHJHPNFH-LJQANCHMSA-N 1 2 351.454 2.806 20 10 FFCDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768347176 1000233238 /nfs/dbraw/zinc/23/32/38/1000233238.db2.gz SUKWGPIOKLFWPC-KRWDZBQOSA-N 1 2 360.458 2.686 20 10 FFCDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768347176 1000233241 /nfs/dbraw/zinc/23/32/41/1000233241.db2.gz SUKWGPIOKLFWPC-KRWDZBQOSA-N 1 2 360.458 2.686 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000846921659 1000478457 /nfs/dbraw/zinc/47/84/57/1000478457.db2.gz ACQFBQHLAZAGTC-UHFFFAOYSA-N 1 2 350.466 2.553 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000846921659 1000478463 /nfs/dbraw/zinc/47/84/63/1000478463.db2.gz ACQFBQHLAZAGTC-UHFFFAOYSA-N 1 2 350.466 2.553 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000787334085 1001682476 /nfs/dbraw/zinc/68/24/76/1001682476.db2.gz GCFSSUDMJPNQLW-CDXJDZJCSA-N 1 2 365.477 2.863 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000787334085 1001682477 /nfs/dbraw/zinc/68/24/77/1001682477.db2.gz GCFSSUDMJPNQLW-CDXJDZJCSA-N 1 2 365.477 2.863 20 10 FFCDLO CCN1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000787416861 1001688835 /nfs/dbraw/zinc/68/88/35/1001688835.db2.gz JOEKUFNINVJCAZ-UHFFFAOYSA-N 1 2 360.458 2.639 20 10 FFCDLO CCN1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000787416861 1001688837 /nfs/dbraw/zinc/68/88/37/1001688837.db2.gz JOEKUFNINVJCAZ-UHFFFAOYSA-N 1 2 360.458 2.639 20 10 FFCDLO COc1ccc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000007219273 1005777420 /nfs/dbraw/zinc/77/74/20/1005777420.db2.gz VWODQLARTOAWAX-UHFFFAOYSA-N 1 2 359.445 2.649 20 10 FFCDLO COc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000007219273 1005777425 /nfs/dbraw/zinc/77/74/25/1005777425.db2.gz VWODQLARTOAWAX-UHFFFAOYSA-N 1 2 359.445 2.649 20 10 FFCDLO OC1CCN(c2ccc(CNc3cc(NCC4CC4)[nH+]cn3)cc2)CC1 ZINC000853956654 1006601652 /nfs/dbraw/zinc/60/16/52/1006601652.db2.gz YOWBPTLXUNZGGW-UHFFFAOYSA-N 1 2 353.470 2.872 20 10 FFCDLO OC1CCN(c2ccc(CNc3cc(NCC4CC4)nc[nH+]3)cc2)CC1 ZINC000853956654 1006601660 /nfs/dbraw/zinc/60/16/60/1006601660.db2.gz YOWBPTLXUNZGGW-UHFFFAOYSA-N 1 2 353.470 2.872 20 10 FFCDLO COc1cc2c(cc1NC[C@@H](O)C[NH+]1CCOCC1)oc1ccccc12 ZINC000819399892 1008116904 /nfs/dbraw/zinc/11/69/04/1008116904.db2.gz ZNVMNGNMLHKIGG-CQSZACIVSA-N 1 2 356.422 2.700 20 10 FFCDLO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000819526080 1008175662 /nfs/dbraw/zinc/17/56/62/1008175662.db2.gz YSVQSINNKTUQDG-UHFFFAOYSA-N 1 2 372.469 2.662 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000859318513 1008501216 /nfs/dbraw/zinc/50/12/16/1008501216.db2.gz DSCQLNRXVCSZLZ-UHFFFAOYSA-N 1 2 350.422 2.531 20 10 FFCDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122004857 1011170919 /nfs/dbraw/zinc/17/09/19/1011170919.db2.gz ADZTXQCQORGAJD-INIZCTEOSA-N 1 2 363.477 2.747 20 10 FFCDLO COc1cccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1 ZINC001217056266 1032599071 /nfs/dbraw/zinc/59/90/71/1032599071.db2.gz JWHFYJCCPAWOMO-UHFFFAOYSA-N 1 2 367.405 2.950 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H]1c1cccc(F)c1)cc2=O ZINC000748834999 1017696242 /nfs/dbraw/zinc/69/62/42/1017696242.db2.gz YNSKXOHKLCSCRQ-INIZCTEOSA-N 1 2 370.384 2.698 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H]1c1cccc(F)c1)cc2=O ZINC000748834999 1017696248 /nfs/dbraw/zinc/69/62/48/1017696248.db2.gz YNSKXOHKLCSCRQ-INIZCTEOSA-N 1 2 370.384 2.698 20 10 FFCDLO COc1ccc(N2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC000930309057 1019974430 /nfs/dbraw/zinc/97/44/30/1019974430.db2.gz DRXCIPANVHQUPS-UHFFFAOYSA-N 1 2 350.422 2.924 20 10 FFCDLO C/C(=C/C(=O)NCc1ccc(N2CCCCC2)cc1)C[NH+]1CCOCC1 ZINC000900404518 1020404615 /nfs/dbraw/zinc/40/46/15/1020404615.db2.gz JPVNVLYHOCINKE-SDXDJHTJSA-N 1 2 357.498 2.572 20 10 FFCDLO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1CC[NH2+]CC1(F)F ZINC001218006564 1032947290 /nfs/dbraw/zinc/94/72/90/1032947290.db2.gz LSQAAXNPZYYKAM-AWEZNQCLSA-N 1 2 359.328 2.544 20 10 FFCDLO Cc1c(O)cc2c(c1O[C@@H]1CC[NH2+]CC1(F)F)C(=O)c1ccccc1C2=O ZINC001218008760 1032949074 /nfs/dbraw/zinc/94/90/74/1032949074.db2.gz BBNQNDDCUWOCAK-OAHLLOKOSA-N 1 2 373.355 2.852 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NCC[N@@H+]3CCO[C@@H](C)C3)c2C)cc1 ZINC000750745648 1022463730 /nfs/dbraw/zinc/46/37/30/1022463730.db2.gz CXMPCHKKYFMALT-INIZCTEOSA-N 1 2 371.481 2.553 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NCC[N@H+]3CCO[C@@H](C)C3)c2C)cc1 ZINC000750745648 1022463736 /nfs/dbraw/zinc/46/37/36/1022463736.db2.gz CXMPCHKKYFMALT-INIZCTEOSA-N 1 2 371.481 2.553 20 10 FFCDLO CO[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1 ZINC000752320671 1023115966 /nfs/dbraw/zinc/11/59/66/1023115966.db2.gz FMFOJLOEHHWWQX-MRXNPFEDSA-N 1 2 356.422 2.726 20 10 FFCDLO CO[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1 ZINC000752320671 1023115971 /nfs/dbraw/zinc/11/59/71/1023115971.db2.gz FMFOJLOEHHWWQX-MRXNPFEDSA-N 1 2 356.422 2.726 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753547881 1023350990 /nfs/dbraw/zinc/35/09/90/1023350990.db2.gz XHQQNIHRMAFOKF-FQEVSTJZSA-N 1 2 371.433 2.735 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753547881 1023350998 /nfs/dbraw/zinc/35/09/98/1023350998.db2.gz XHQQNIHRMAFOKF-FQEVSTJZSA-N 1 2 371.433 2.735 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392312 1023703867 /nfs/dbraw/zinc/70/38/67/1023703867.db2.gz NJQZXICEZJTHNK-STQMWFEESA-N 1 2 358.442 2.909 20 10 FFCDLO C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756476760 1023716127 /nfs/dbraw/zinc/71/61/27/1023716127.db2.gz UTPXHIFKQUBSKX-CYBMUJFWSA-N 1 2 362.424 2.668 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c(O)cccc1F ZINC001137832604 1033166501 /nfs/dbraw/zinc/16/65/01/1033166501.db2.gz AVIIAKYMYCKBIZ-RDJZCZTQSA-N 1 2 366.433 2.742 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)cccc1F ZINC001137832604 1033166509 /nfs/dbraw/zinc/16/65/09/1033166509.db2.gz AVIIAKYMYCKBIZ-RDJZCZTQSA-N 1 2 366.433 2.742 20 10 FFCDLO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@H+](Cc1c(O)cccc1F)CCO2 ZINC001137835488 1033174617 /nfs/dbraw/zinc/17/46/17/1033174617.db2.gz ILCAQTHWIKMAJD-FQEVSTJZSA-N 1 2 374.412 2.632 20 10 FFCDLO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@@H+](Cc1c(O)cccc1F)CCO2 ZINC001137835488 1033174622 /nfs/dbraw/zinc/17/46/22/1033174622.db2.gz ILCAQTHWIKMAJD-FQEVSTJZSA-N 1 2 374.412 2.632 20 10 FFCDLO C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(C[N@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000758294350 1024023646 /nfs/dbraw/zinc/02/36/46/1024023646.db2.gz FGALESYLHHMJNZ-HOTGVXAUSA-N 1 2 372.513 2.889 20 10 FFCDLO C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(C[N@@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000758294350 1024023653 /nfs/dbraw/zinc/02/36/53/1024023653.db2.gz FGALESYLHHMJNZ-HOTGVXAUSA-N 1 2 372.513 2.889 20 10 FFCDLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000759097192 1024464910 /nfs/dbraw/zinc/46/49/10/1024464910.db2.gz LHPSELWZJCXFAU-LJQANCHMSA-N 1 2 371.456 2.780 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840264723 1027026438 /nfs/dbraw/zinc/02/64/38/1027026438.db2.gz YAICWAMWIIGAIX-DOTOQJQBSA-N 1 2 355.486 2.670 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840264723 1027026448 /nfs/dbraw/zinc/02/64/48/1027026448.db2.gz YAICWAMWIIGAIX-DOTOQJQBSA-N 1 2 355.486 2.670 20 10 FFCDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc2cc(O)c(O)cc2oc1=O ZINC001155218245 1028630461 /nfs/dbraw/zinc/63/04/61/1028630461.db2.gz MUAGUUHIJNLWNX-UHFFFAOYSA-N 1 2 363.329 2.642 20 10 FFCDLO COc1cc2[nH+]c(C)nc(NCCc3cc(O)c(O)cc3O)c2cc1OC ZINC001157245442 1029520503 /nfs/dbraw/zinc/52/05/03/1029520503.db2.gz AQYYXYSMZFWRDJ-UHFFFAOYSA-N 1 2 371.393 2.727 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cc1O ZINC001203879726 1030956561 /nfs/dbraw/zinc/95/65/61/1030956561.db2.gz ZIJFPUPMOCQIEV-BBTUJRGHSA-N 1 2 370.449 2.689 20 10 FFCDLO Oc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cc1O ZINC001203879726 1030956573 /nfs/dbraw/zinc/95/65/73/1030956573.db2.gz ZIJFPUPMOCQIEV-BBTUJRGHSA-N 1 2 370.449 2.689 20 10 FFCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCC1=O ZINC001204235110 1031179640 /nfs/dbraw/zinc/17/96/40/1031179640.db2.gz GDZGKGXZLJTKIN-SFHVURJKSA-N 1 2 354.450 2.860 20 10 FFCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCC1=O ZINC001204235110 1031179650 /nfs/dbraw/zinc/17/96/50/1031179650.db2.gz GDZGKGXZLJTKIN-SFHVURJKSA-N 1 2 354.450 2.860 20 10 FFCDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)cc(O)c1O ZINC001204350806 1031248783 /nfs/dbraw/zinc/24/87/83/1031248783.db2.gz JJLKRUGJJQMEGD-MRXNPFEDSA-N 1 2 374.412 2.640 20 10 FFCDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)cc(O)c1O ZINC001204350806 1031248794 /nfs/dbraw/zinc/24/87/94/1031248794.db2.gz JJLKRUGJJQMEGD-MRXNPFEDSA-N 1 2 374.412 2.640 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001138125497 1033803489 /nfs/dbraw/zinc/80/34/89/1033803489.db2.gz QPUCDPQAXVQIAG-CMKODMSKSA-N 1 2 358.413 2.875 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001138125497 1033803503 /nfs/dbraw/zinc/80/35/03/1033803503.db2.gz QPUCDPQAXVQIAG-CMKODMSKSA-N 1 2 358.413 2.875 20 10 FFCDLO CCOC(=O)c1ncn2c1C[N@H+](Cc1ccc3c(c1)CCCN3C)CCC2 ZINC001138354307 1034190331 /nfs/dbraw/zinc/19/03/31/1034190331.db2.gz DPTVBMZYNKVNHF-UHFFFAOYSA-N 1 2 368.481 2.848 20 10 FFCDLO CCOC(=O)c1ncn2c1C[N@@H+](Cc1ccc3c(c1)CCCN3C)CCC2 ZINC001138354307 1034190347 /nfs/dbraw/zinc/19/03/47/1034190347.db2.gz DPTVBMZYNKVNHF-UHFFFAOYSA-N 1 2 368.481 2.848 20 10 FFCDLO CN1CCCc2cc(C[NH+]3CCN(c4nccnc4Cl)CC3)ccc21 ZINC001138354710 1034190740 /nfs/dbraw/zinc/19/07/40/1034190740.db2.gz RAUQFQOGEHRQST-UHFFFAOYSA-N 1 2 357.889 2.835 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001139125245 1034954834 /nfs/dbraw/zinc/95/48/34/1034954834.db2.gz BNCDQMBCFNLECL-AZUAARDMSA-N 1 2 365.429 2.985 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001139125245 1034954839 /nfs/dbraw/zinc/95/48/39/1034954839.db2.gz BNCDQMBCFNLECL-AZUAARDMSA-N 1 2 365.429 2.985 20 10 FFCDLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129209 1034957893 /nfs/dbraw/zinc/95/78/93/1034957893.db2.gz QNJRDBOJEFTPNY-MRXNPFEDSA-N 1 2 358.438 2.688 20 10 FFCDLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129209 1034957900 /nfs/dbraw/zinc/95/79/00/1034957900.db2.gz QNJRDBOJEFTPNY-MRXNPFEDSA-N 1 2 358.438 2.688 20 10 FFCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001140198761 1035376943 /nfs/dbraw/zinc/37/69/43/1035376943.db2.gz RDLOUSZIVDTGLL-ZDUSSCGKSA-N 1 2 362.348 2.884 20 10 FFCDLO CN(C)c1ccc(CN2CC[C@@]3(CCC[N@@H+]3Cc3cnsc3)C2=O)cc1 ZINC001277649658 1035601818 /nfs/dbraw/zinc/60/18/18/1035601818.db2.gz MEASJJWJYXBUSM-FQEVSTJZSA-N 1 2 370.522 2.976 20 10 FFCDLO CN(C)c1ccc(CN2CC[C@@]3(CCC[N@H+]3Cc3cnsc3)C2=O)cc1 ZINC001277649658 1035601826 /nfs/dbraw/zinc/60/18/26/1035601826.db2.gz MEASJJWJYXBUSM-FQEVSTJZSA-N 1 2 370.522 2.976 20 10 FFCDLO CCOCCN1CCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001277232259 1035678280 /nfs/dbraw/zinc/67/82/80/1035678280.db2.gz NBBYBPPZRHERPQ-UHFFFAOYSA-N 1 2 366.889 2.897 20 10 FFCDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@@H](c2ccccc2)C1 ZINC001233015206 1036251190 /nfs/dbraw/zinc/25/11/90/1036251190.db2.gz ILWBFOFRIXSBTF-HZPDHXFCSA-N 1 2 357.406 2.930 20 10 FFCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)[C@@H](c2ccccc2)C1 ZINC001233015206 1036251200 /nfs/dbraw/zinc/25/12/00/1036251200.db2.gz ILWBFOFRIXSBTF-HZPDHXFCSA-N 1 2 357.406 2.930 20 10 FFCDLO O=C1CCC[C@@]2(CCC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)N1 ZINC001233029867 1036266013 /nfs/dbraw/zinc/26/60/13/1036266013.db2.gz RECYVKXZNTUYRV-INIZCTEOSA-N 1 2 371.250 2.929 20 10 FFCDLO O=C1CCC[C@@]2(CCC[N@H+](Cc3c(O)cc(Br)cc3F)C2)N1 ZINC001233029867 1036266033 /nfs/dbraw/zinc/26/60/33/1036266033.db2.gz RECYVKXZNTUYRV-INIZCTEOSA-N 1 2 371.250 2.929 20 10 FFCDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1ccc(N(CC)CC)cc1O ZINC001140856970 1036293826 /nfs/dbraw/zinc/29/38/26/1036293826.db2.gz JUENHKDLPFLUSS-MRXNPFEDSA-N 1 2 352.500 2.719 20 10 FFCDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1ccc(N(CC)CC)cc1O ZINC001140856970 1036293838 /nfs/dbraw/zinc/29/38/38/1036293838.db2.gz JUENHKDLPFLUSS-MRXNPFEDSA-N 1 2 352.500 2.719 20 10 FFCDLO Cc1cc(Br)cc(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c1O ZINC001233110563 1036356197 /nfs/dbraw/zinc/35/61/97/1036356197.db2.gz FYLKTMYFZSPOBC-BETUJISGSA-N 1 2 369.303 2.757 20 10 FFCDLO Oc1ccc(F)c(F)c1CN1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001233333693 1036540736 /nfs/dbraw/zinc/54/07/36/1036540736.db2.gz DZSKMWMYMRTMAZ-UHFFFAOYSA-N 1 2 362.424 2.869 20 10 FFCDLO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1cccc(C(F)(F)F)c1O)CCO2 ZINC001233418117 1036611218 /nfs/dbraw/zinc/61/12/18/1036611218.db2.gz UQNOPHQSONFGQS-KRWDZBQOSA-N 1 2 372.387 2.624 20 10 FFCDLO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1cccc(C(F)(F)F)c1O)CCO2 ZINC001233418117 1036611228 /nfs/dbraw/zinc/61/12/28/1036611228.db2.gz UQNOPHQSONFGQS-KRWDZBQOSA-N 1 2 372.387 2.624 20 10 FFCDLO O=C(c1ccco1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233451422 1036631676 /nfs/dbraw/zinc/63/16/76/1036631676.db2.gz KGHTYTPSJMRUJZ-UHFFFAOYSA-N 1 2 354.328 2.962 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)Cc2nn(CC3CC3)cc21 ZINC001233483860 1036651347 /nfs/dbraw/zinc/65/13/47/1036651347.db2.gz OQJBGRAHIUBOBY-OAHLLOKOSA-N 1 2 373.453 2.546 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)Cc2nn(CC3CC3)cc21 ZINC001233483860 1036651352 /nfs/dbraw/zinc/65/13/52/1036651352.db2.gz OQJBGRAHIUBOBY-OAHLLOKOSA-N 1 2 373.453 2.546 20 10 FFCDLO CC(C)(C)OC(=O)N1CCCCC12C[NH+](Cc1cc(O)c(O)cc1O)C2 ZINC001233485828 1036652934 /nfs/dbraw/zinc/65/29/34/1036652934.db2.gz MHRNUMICJVEDGR-UHFFFAOYSA-N 1 2 364.442 2.779 20 10 FFCDLO Oc1c(C[NH+]2CCN(CC(F)(F)F)CC2)cccc1OC(F)(F)F ZINC001233761521 1036749756 /nfs/dbraw/zinc/74/97/56/1036749756.db2.gz VCIJDDLDVORIAJ-UHFFFAOYSA-N 1 2 358.282 2.971 20 10 FFCDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001277427371 1036956203 /nfs/dbraw/zinc/95/62/03/1036956203.db2.gz QUIYXQLADOJFMX-ZDUSSCGKSA-N 1 2 352.862 2.566 20 10 FFCDLO CN(C)C(=O)NC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235076600 1037345380 /nfs/dbraw/zinc/34/53/80/1037345380.db2.gz YMKQRGCGGKSAOY-UHFFFAOYSA-N 1 2 374.254 2.529 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277507555 1037537999 /nfs/dbraw/zinc/53/79/99/1037537999.db2.gz QMMBOBZKMAQRHZ-SGTLLEGYSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277507555 1037538007 /nfs/dbraw/zinc/53/80/07/1037538007.db2.gz QMMBOBZKMAQRHZ-SGTLLEGYSA-N 1 2 370.852 2.787 20 10 FFCDLO Cc1ccc(CN2CC[NH+](Cc3cc4c(cc3O)OCC[NH2+]C4)CC2)cc1 ZINC001235689960 1037684979 /nfs/dbraw/zinc/68/49/79/1037684979.db2.gz DVJUCDDOSLJXEC-UHFFFAOYSA-N 1 2 367.493 2.500 20 10 FFCDLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(N(C)C)cc1OC ZINC001231854351 1037951354 /nfs/dbraw/zinc/95/13/54/1037951354.db2.gz FPYMVHYJLZUIPM-IBGZPJMESA-N 1 2 356.466 2.977 20 10 FFCDLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(N(C)C)cc1OC ZINC001231854351 1037951361 /nfs/dbraw/zinc/95/13/61/1037951361.db2.gz FPYMVHYJLZUIPM-IBGZPJMESA-N 1 2 356.466 2.977 20 10 FFCDLO CCc1ccc(C[N@@H+]2CCc3c(nnn3CC3CC3)[C@@H]2COC)c(O)c1 ZINC001236785435 1038265298 /nfs/dbraw/zinc/26/52/98/1038265298.db2.gz JIJFYVCLTFMERX-SFHVURJKSA-N 1 2 356.470 2.702 20 10 FFCDLO CCc1ccc(C[N@H+]2CCc3c(nnn3CC3CC3)[C@@H]2COC)c(O)c1 ZINC001236785435 1038265303 /nfs/dbraw/zinc/26/53/03/1038265303.db2.gz JIJFYVCLTFMERX-SFHVURJKSA-N 1 2 356.470 2.702 20 10 FFCDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023116 1038331640 /nfs/dbraw/zinc/33/16/40/1038331640.db2.gz LAMJZOLDSUODIX-VCTAVGKDSA-N 1 2 368.836 2.728 20 10 FFCDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023116 1038331654 /nfs/dbraw/zinc/33/16/54/1038331654.db2.gz LAMJZOLDSUODIX-VCTAVGKDSA-N 1 2 368.836 2.728 20 10 FFCDLO CCOC(=O)c1nc2c(s1)C[N@H+](Cc1ccc(OCC)cc1O)CC2 ZINC001237047483 1038421892 /nfs/dbraw/zinc/42/18/92/1038421892.db2.gz YTWASVRGZIAWEF-UHFFFAOYSA-N 1 2 362.451 2.982 20 10 FFCDLO CCOC(=O)c1nc2c(s1)C[N@@H+](Cc1ccc(OCC)cc1O)CC2 ZINC001237047483 1038421898 /nfs/dbraw/zinc/42/18/98/1038421898.db2.gz YTWASVRGZIAWEF-UHFFFAOYSA-N 1 2 362.451 2.982 20 10 FFCDLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1ccc3c(c1)OCCN3C)C2 ZINC001278745780 1040432416 /nfs/dbraw/zinc/43/24/16/1040432416.db2.gz INNDGRQXTYGODB-UHFFFAOYSA-N 1 2 370.522 2.740 20 10 FFCDLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1ccc3c(c1)OCCN3C)C2 ZINC001278745780 1040432423 /nfs/dbraw/zinc/43/24/23/1040432423.db2.gz INNDGRQXTYGODB-UHFFFAOYSA-N 1 2 370.522 2.740 20 10 FFCDLO O=C(Nc1cccnc1)N1CCC12C[NH+](Cc1ccc(Cl)cc1O)C2 ZINC001278559332 1041157320 /nfs/dbraw/zinc/15/73/20/1041157320.db2.gz UBXJAQFLSUJLHU-UHFFFAOYSA-N 1 2 358.829 2.933 20 10 FFCDLO COc1cc(C[NH+]2CCN(CCc3cccs3)CC2)c(O)c(OC)c1 ZINC001237675888 1043304767 /nfs/dbraw/zinc/30/47/67/1043304767.db2.gz IDRWTNMJRDFEAR-UHFFFAOYSA-N 1 2 362.495 2.831 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CC(N3CCOC(C)(C)C3)C2)cc1Br ZINC001237683361 1043309604 /nfs/dbraw/zinc/30/96/04/1043309604.db2.gz YSUHHMWPYQOPBA-UHFFFAOYSA-N 1 2 369.303 2.758 20 10 FFCDLO Cc1cc(O)c(CN2CC([N@@H+]3CCOC(C)(C)C3)C2)cc1Br ZINC001237683361 1043309607 /nfs/dbraw/zinc/30/96/07/1043309607.db2.gz YSUHHMWPYQOPBA-UHFFFAOYSA-N 1 2 369.303 2.758 20 10 FFCDLO Cc1cc(O)c(CN2CC([N@H+]3CCOC(C)(C)C3)C2)cc1Br ZINC001237683361 1043309610 /nfs/dbraw/zinc/30/96/10/1043309610.db2.gz YSUHHMWPYQOPBA-UHFFFAOYSA-N 1 2 369.303 2.758 20 10 FFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)c1O ZINC001237685522 1043313467 /nfs/dbraw/zinc/31/34/67/1043313467.db2.gz FESBMWCIZVMQBQ-OAHLLOKOSA-N 1 2 370.877 2.768 20 10 FFCDLO Cc1cc(Cl)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)c1O ZINC001237685522 1043313473 /nfs/dbraw/zinc/31/34/73/1043313473.db2.gz FESBMWCIZVMQBQ-OAHLLOKOSA-N 1 2 370.877 2.768 20 10 FFCDLO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)n1 ZINC001237941445 1043445690 /nfs/dbraw/zinc/44/56/90/1043445690.db2.gz WBFPIGQGPKKWMX-GFCCVEGCSA-N 1 2 367.808 2.945 20 10 FFCDLO COc1cc(C)nc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)n1 ZINC001237941445 1043445695 /nfs/dbraw/zinc/44/56/95/1043445695.db2.gz WBFPIGQGPKKWMX-GFCCVEGCSA-N 1 2 367.808 2.945 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1)c1cccnc1 ZINC001237940630 1043446250 /nfs/dbraw/zinc/44/62/50/1043446250.db2.gz MSWFWSOOVPPPML-CQSZACIVSA-N 1 2 363.820 2.974 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1)c1cccnc1 ZINC001237940630 1043446256 /nfs/dbraw/zinc/44/62/56/1043446256.db2.gz MSWFWSOOVPPPML-CQSZACIVSA-N 1 2 363.820 2.974 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C[C@H]1O ZINC001237949401 1043450458 /nfs/dbraw/zinc/45/04/58/1043450458.db2.gz LEZMAGHJGOBRLV-UKRRQHHQSA-N 1 2 374.840 2.645 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C[C@H]1O ZINC001237949401 1043450467 /nfs/dbraw/zinc/45/04/67/1043450467.db2.gz LEZMAGHJGOBRLV-UKRRQHHQSA-N 1 2 374.840 2.645 20 10 FFCDLO O=S(=O)(N[C@@H]1C[NH2+]CC1(F)F)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238883863 1043931024 /nfs/dbraw/zinc/93/10/24/1043931024.db2.gz YACCBGXPFDNAJS-WGLILOHCSA-N 1 2 366.393 2.987 20 10 FFCDLO CN(C(=O)[C@@H]1CC12C[NH+](Cc1c(O)cccc1F)C2)C1CC(F)(F)C1 ZINC001280007743 1044079516 /nfs/dbraw/zinc/07/95/16/1044079516.db2.gz HXPINKMGTJCOLK-ZDUSSCGKSA-N 1 2 354.372 2.609 20 10 FFCDLO CN(C(=O)[C@H]1CC12C[NH+](Cc1c(O)cccc1F)C2)C1CC(F)(F)C1 ZINC001280007742 1044080681 /nfs/dbraw/zinc/08/06/81/1044080681.db2.gz HXPINKMGTJCOLK-CYBMUJFWSA-N 1 2 354.372 2.609 20 10 FFCDLO O=C(Nc1ccc(O)cc1O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001280291659 1044557428 /nfs/dbraw/zinc/55/74/28/1044557428.db2.gz AOCPMDZTRQUZCB-BLVKFPJESA-N 1 2 358.369 2.546 20 10 FFCDLO O=C(Nc1ccc(O)cc1O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001280291659 1044557440 /nfs/dbraw/zinc/55/74/40/1044557440.db2.gz AOCPMDZTRQUZCB-BLVKFPJESA-N 1 2 358.369 2.546 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3CC)CC2)cc1 ZINC001319452777 1045154761 /nfs/dbraw/zinc/15/47/61/1045154761.db2.gz ZGRTXZDHEUOIRN-SFHVURJKSA-N 1 2 359.514 2.998 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001327757723 1048029342 /nfs/dbraw/zinc/02/93/42/1048029342.db2.gz PGTUUSPYVOOLPU-UHFFFAOYSA-N 1 2 369.465 2.849 20 10 FFCDLO CN1CCN(c2ccc(C[N@@H+]3Cc4c[nH]nc4CC(C)(C)C3)cc2F)CC1 ZINC001334069641 1049229049 /nfs/dbraw/zinc/22/90/49/1049229049.db2.gz IRGGOMDEWQVOJY-UHFFFAOYSA-N 1 2 371.504 2.885 20 10 FFCDLO CN1CCN(c2ccc(C[N@H+]3Cc4c[nH]nc4CC(C)(C)C3)cc2F)CC1 ZINC001334069641 1049229056 /nfs/dbraw/zinc/22/90/56/1049229056.db2.gz IRGGOMDEWQVOJY-UHFFFAOYSA-N 1 2 371.504 2.885 20 10 FFCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001296245061 1050041071 /nfs/dbraw/zinc/04/10/71/1050041071.db2.gz BKENFUYRRUNCRN-AWEZNQCLSA-N 1 2 351.406 2.704 20 10 FFCDLO Cc1cc(NCc2cc(Cl)cc(Cl)c2O)c(-c2nn[nH]n2)c[nH+]1 ZINC001581034094 1078908182 /nfs/dbraw/zinc/90/81/82/1078908182.db2.gz NPARUVCKHMKWLE-UHFFFAOYSA-N 1 2 351.197 2.617 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[N@H+](Cc1cc(F)ccc1O)CCO2 ZINC001561057783 1076326497 /nfs/dbraw/zinc/32/64/97/1076326497.db2.gz XOZIWJRYZVNHOE-LJQANCHMSA-N 1 2 366.433 2.743 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[N@@H+](Cc1cc(F)ccc1O)CCO2 ZINC001561057783 1076326502 /nfs/dbraw/zinc/32/65/02/1076326502.db2.gz XOZIWJRYZVNHOE-LJQANCHMSA-N 1 2 366.433 2.743 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589836941 1080788289 /nfs/dbraw/zinc/78/82/89/1080788289.db2.gz RAGXAOLYIRHOMB-QWHCGFSZSA-N 1 2 353.426 2.950 20 10 FFCDLO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1cnn(CC2CCC2)c1 ZINC001589953805 1080900289 /nfs/dbraw/zinc/90/02/89/1080900289.db2.gz VYCSSHGOQGWHHR-STQMWFEESA-N 1 2 367.457 2.981 20 10 FFCDLO C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc(-c2nn[nH]n2)c1O ZINC001589960956 1080905619 /nfs/dbraw/zinc/90/56/19/1080905619.db2.gz LHPRKQCAEMRBFJ-LBPRGKRZSA-N 1 2 363.425 2.732 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000046943795 507227802 /nfs/dbraw/zinc/22/78/02/507227802.db2.gz MCKOYVKFCHQWEY-UHFFFAOYSA-N 1 2 367.497 2.958 20 10 FFCDLO CN1CCCc2cc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)ccc21 ZINC000103311736 508306565 /nfs/dbraw/zinc/30/65/65/508306565.db2.gz HVRASFJRTIDFBL-UHFFFAOYSA-N 1 2 353.470 2.812 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)c(C)n1-c1cccc(F)c1 ZINC000153622574 508610843 /nfs/dbraw/zinc/61/08/43/508610843.db2.gz MIHSYIABJMKJCB-UHFFFAOYSA-N 1 2 372.444 2.502 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCCN(C(N)=O)CC2)c(C)n1-c1cccc(F)c1 ZINC000153622574 508610849 /nfs/dbraw/zinc/61/08/49/508610849.db2.gz MIHSYIABJMKJCB-UHFFFAOYSA-N 1 2 372.444 2.502 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000155664998 509048304 /nfs/dbraw/zinc/04/83/04/509048304.db2.gz RFZJDXBVVQKDIU-UHFFFAOYSA-N 1 2 351.454 2.806 20 10 FFCDLO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000187671321 510379487 /nfs/dbraw/zinc/37/94/87/510379487.db2.gz RWCLMBIATPYBMA-LLVKDONJSA-N 1 2 350.365 2.646 20 10 FFCDLO COCCOCCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000276261916 510932321 /nfs/dbraw/zinc/93/23/21/510932321.db2.gz WTKGHAZMDAHRLS-UHFFFAOYSA-N 1 2 352.258 2.810 20 10 FFCDLO COCCOCCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000276261916 510932326 /nfs/dbraw/zinc/93/23/26/510932326.db2.gz WTKGHAZMDAHRLS-UHFFFAOYSA-N 1 2 352.258 2.810 20 10 FFCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2c[nH+]cn2C)cc1 ZINC000276645605 510943751 /nfs/dbraw/zinc/94/37/51/510943751.db2.gz VPVTWPHJVORENB-HXUWFJFHSA-N 1 2 370.497 2.627 20 10 FFCDLO CN(C)C(=O)C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccc(Cl)cc21 ZINC000283977110 511562469 /nfs/dbraw/zinc/56/24/69/511562469.db2.gz MMZHGTCNDUORHG-FUEXJSSKSA-N 1 2 358.829 2.685 20 10 FFCDLO COCCOCCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000274421110 511828635 /nfs/dbraw/zinc/82/86/35/511828635.db2.gz QINWOZLZMJICDE-UHFFFAOYSA-N 1 2 352.258 2.858 20 10 FFCDLO O=S1(=O)C[C@H]([NH2+]Cc2cc(Br)ccc2O)c2ccccc21 ZINC000364058962 511936617 /nfs/dbraw/zinc/93/66/17/511936617.db2.gz XWKLBXIBLHBXTF-ZDUSSCGKSA-N 1 2 368.252 2.773 20 10 FFCDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000372307743 512807505 /nfs/dbraw/zinc/80/75/05/512807505.db2.gz MULCLSGGVSYPRM-QGZVFWFLSA-N 1 2 353.470 2.719 20 10 FFCDLO Cc1cccn2cc(CC(=O)N3CCOc4cc(N(C)C)ccc43)[nH+]c12 ZINC000608250401 521638452 /nfs/dbraw/zinc/63/84/52/521638452.db2.gz RQKINNHZLUQUFI-UHFFFAOYSA-N 1 2 350.422 2.677 20 10 FFCDLO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cccc(Cl)c3O)C2)c1Cl ZINC000898368114 735348595 /nfs/dbraw/zinc/34/85/95/735348595.db2.gz WWSQHHHKRAMEBO-JTQLQIEISA-N 1 2 355.225 2.563 20 10 FFCDLO O=C(CN1CC[NH+](Cc2c(O)cccc2Cl)CC1)N1CCCCCC1 ZINC000121675529 728635384 /nfs/dbraw/zinc/63/53/84/728635384.db2.gz BJOOZJAPIPAVJY-UHFFFAOYSA-N 1 2 365.905 2.566 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1F ZINC000126463639 728703108 /nfs/dbraw/zinc/70/31/08/728703108.db2.gz INYDNGPEJUUEIS-UHFFFAOYSA-N 1 2 351.363 2.910 20 10 FFCDLO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000858468965 730426624 /nfs/dbraw/zinc/42/66/24/730426624.db2.gz NWENTBRTRGPVIC-MFKMUULPSA-N 1 2 360.285 2.689 20 10 FFCDLO C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000858468965 730426625 /nfs/dbraw/zinc/42/66/25/730426625.db2.gz NWENTBRTRGPVIC-MFKMUULPSA-N 1 2 360.285 2.689 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Br)cc(Cl)c1O ZINC000858553610 730428708 /nfs/dbraw/zinc/42/87/08/730428708.db2.gz RAQOVGNEQZLOEK-UPZJHPNMSA-N 1 2 350.640 2.609 20 10 FFCDLO C[C@@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc(N(C)C)cc1 ZINC000922054802 738084473 /nfs/dbraw/zinc/08/44/73/738084473.db2.gz LRNYFQCAZBAIHR-CYBMUJFWSA-N 1 2 361.515 2.831 20 10 FFCDLO CCC(=O)N1CCC[N@H+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781903093 738669556 /nfs/dbraw/zinc/66/95/56/738669556.db2.gz XPSVPKLJBXXUOU-UHFFFAOYSA-N 1 2 355.276 2.907 20 10 FFCDLO CCC(=O)N1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781903093 738669561 /nfs/dbraw/zinc/66/95/61/738669561.db2.gz XPSVPKLJBXXUOU-UHFFFAOYSA-N 1 2 355.276 2.907 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)cc(F)c1O ZINC000927142486 738695836 /nfs/dbraw/zinc/69/58/36/738695836.db2.gz CLUCDIDFQGESKH-SCZZXKLOSA-N 1 2 369.238 2.630 20 10 FFCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@H]1CN(C)CCO1 ZINC000883051438 733326289 /nfs/dbraw/zinc/32/62/89/733326289.db2.gz BKRVFMHHUINEHS-TVQRCGJNSA-N 1 2 363.683 2.617 20 10 FFCDLO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1=O ZINC000883152421 733343070 /nfs/dbraw/zinc/34/30/70/733343070.db2.gz UZCMSERQTAEGEF-GFCCVEGCSA-N 1 2 359.239 2.783 20 10 FFCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)C(=O)N1CCCC1 ZINC000708057605 734362547 /nfs/dbraw/zinc/36/25/47/734362547.db2.gz WEVROVBUDSTUKL-VIFPVBQESA-N 1 2 361.667 2.909 20 10 FFCDLO Fc1cc(C[NH2+]Cc2nnc(C3CC3)s2)cc(F)c1N1CCOCC1 ZINC000894843296 734926198 /nfs/dbraw/zinc/92/61/98/734926198.db2.gz KFXQUKOLIDFUMC-UHFFFAOYSA-N 1 2 366.437 2.820 20 10 FFCDLO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)cc(F)c1O ZINC000903215933 736056941 /nfs/dbraw/zinc/05/69/41/736056941.db2.gz QYKFTEHYSXIKHM-VHSXEESVSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc(Br)cc(F)c1O ZINC000756732005 736356263 /nfs/dbraw/zinc/35/62/63/736356263.db2.gz KLWDBPUTDJABSH-GRLOZPDXSA-N 1 2 371.250 2.954 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000919072249 737838353 /nfs/dbraw/zinc/83/83/53/737838353.db2.gz ONHLGAWDYBFUBV-UHFFFAOYSA-N 1 2 361.515 2.579 20 10 FFCDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775878336 738134928 /nfs/dbraw/zinc/13/49/28/738134928.db2.gz AQXDNHZROVYOTA-CABCVRRESA-N 1 2 369.845 2.791 20 10 FFCDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775878336 738134931 /nfs/dbraw/zinc/13/49/31/738134931.db2.gz AQXDNHZROVYOTA-CABCVRRESA-N 1 2 369.845 2.791 20 10 FFCDLO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000802660112 740716159 /nfs/dbraw/zinc/71/61/59/740716159.db2.gz BOIXMPDDXUTULO-CYBMUJFWSA-N 1 2 368.886 2.892 20 10 FFCDLO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)C(F)(F)F ZINC000811514584 741532584 /nfs/dbraw/zinc/53/25/84/741532584.db2.gz AYRXVERVMNWFFR-SNVBAGLBSA-N 1 2 350.768 2.936 20 10 FFCDLO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)C(F)(F)F ZINC000811514584 741532586 /nfs/dbraw/zinc/53/25/86/741532586.db2.gz AYRXVERVMNWFFR-SNVBAGLBSA-N 1 2 350.768 2.936 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1 ZINC000825278856 743240090 /nfs/dbraw/zinc/24/00/90/743240090.db2.gz JTMXTWSXXUDWOB-ZDUSSCGKSA-N 1 2 370.291 2.699 20 10 FFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825650893 743306655 /nfs/dbraw/zinc/30/66/55/743306655.db2.gz AMRRVONPBRHLIS-XEGUGMAKSA-N 1 2 354.244 2.928 20 10 FFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Br)cc1O ZINC000825650893 743306666 /nfs/dbraw/zinc/30/66/66/743306666.db2.gz AMRRVONPBRHLIS-XEGUGMAKSA-N 1 2 354.244 2.928 20 10 FFCDLO Cc1sccc1/C=C1/SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000841496538 747370173 /nfs/dbraw/zinc/37/01/73/747370173.db2.gz PULMBRQSCUSTCW-SDNWHVSQSA-N 1 2 368.549 2.980 20 10 FFCDLO CCOc1cccc(C[NH2+][C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c1O ZINC000846110002 748409150 /nfs/dbraw/zinc/40/91/50/748409150.db2.gz WFCIJLKKLDYJEZ-KMFMINBZSA-N 1 2 351.443 2.627 20 10 FFCDLO CCOc1ccc(O)c(C[NH2+][C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c1 ZINC000846110683 748409164 /nfs/dbraw/zinc/40/91/64/748409164.db2.gz YYDRUPKGZVVXEZ-XUWXXGDYSA-N 1 2 351.443 2.627 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CCOC[C@H]3C)CC2)c1O ZINC000846913776 748573633 /nfs/dbraw/zinc/57/36/33/748573633.db2.gz UNAPCQLRQULGKX-CYBMUJFWSA-N 1 2 366.889 2.933 20 10 FFCDLO CC(=O)c1cc(Cl)cc(CN2CCC([N@H+]3CCOC[C@H]3C)CC2)c1O ZINC000846913776 748573636 /nfs/dbraw/zinc/57/36/36/748573636.db2.gz UNAPCQLRQULGKX-CYBMUJFWSA-N 1 2 366.889 2.933 20 10 FFCDLO CC(=O)c1cc(Cl)cc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1O ZINC000846913776 748573644 /nfs/dbraw/zinc/57/36/44/748573644.db2.gz UNAPCQLRQULGKX-CYBMUJFWSA-N 1 2 366.889 2.933 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)c(F)cc1O ZINC000848564228 748961268 /nfs/dbraw/zinc/96/12/68/748961268.db2.gz JYYANMHMDLCFMI-IUCAKERBSA-N 1 2 369.238 2.630 20 10 FFCDLO O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000588408131 963727221 /nfs/dbraw/zinc/72/72/21/963727221.db2.gz QSOQCPUAIKHIMI-ALCCZGGFSA-N 1 2 354.406 2.582 20 10 FFCDLO COC(=O)c1c(C[N@H+](C)Cc2cnn(C)c2C)c2cc(F)ccc2n1C ZINC000894596275 965510585 /nfs/dbraw/zinc/51/05/85/965510585.db2.gz PIBPVSCBNOOSHA-UHFFFAOYSA-N 1 2 358.417 2.778 20 10 FFCDLO COC(=O)c1c(C[N@@H+](C)Cc2cnn(C)c2C)c2cc(F)ccc2n1C ZINC000894596275 965510595 /nfs/dbraw/zinc/51/05/95/965510595.db2.gz PIBPVSCBNOOSHA-UHFFFAOYSA-N 1 2 358.417 2.778 20 10 FFCDLO CC(C)C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)n1cc[nH+]c1 ZINC000873861335 1013665291 /nfs/dbraw/zinc/66/52/91/1013665291.db2.gz ASJAEBJPYQCKBS-HXUWFJFHSA-N 1 2 370.497 2.966 20 10 FFCDLO Cc1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000898887901 976748355 /nfs/dbraw/zinc/74/83/55/976748355.db2.gz FXSPAFFDCNLMDN-QGZVFWFLSA-N 1 2 372.856 2.944 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000796581732 1014391603 /nfs/dbraw/zinc/39/16/03/1014391603.db2.gz ZHIFUKFQVSRLRO-OXQOHEQNSA-N 1 2 374.456 2.888 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000796581732 1014391610 /nfs/dbraw/zinc/39/16/10/1014391610.db2.gz ZHIFUKFQVSRLRO-OXQOHEQNSA-N 1 2 374.456 2.888 20 10 FFCDLO COc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1O ZINC000073895731 989196921 /nfs/dbraw/zinc/19/69/21/989196921.db2.gz JITYDWHOPPGQFW-UHFFFAOYSA-N 1 2 352.394 2.586 20 10 FFCDLO O=C(NCCCCn1cc[nH+]c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000918138963 990344222 /nfs/dbraw/zinc/34/42/22/990344222.db2.gz IDMNXYSSAVAOEH-SFHVURJKSA-N 1 2 372.469 2.760 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)CN(c3ccccc3)C2=O)cc1 ZINC000918173551 990349928 /nfs/dbraw/zinc/34/99/28/990349928.db2.gz NPCWFDCWEVKGPB-UHFFFAOYSA-N 1 2 352.438 2.611 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)CN(c3ccccc3)C2=O)cc1 ZINC000918173551 990349934 /nfs/dbraw/zinc/34/99/34/990349934.db2.gz NPCWFDCWEVKGPB-UHFFFAOYSA-N 1 2 352.438 2.611 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C)ccc3F)CC2)cc1 ZINC000727102949 994471207 /nfs/dbraw/zinc/47/12/07/994471207.db2.gz BAIBJAWUPMDXTJ-UHFFFAOYSA-N 1 2 371.456 2.695 20 10 FFCDLO COC(=O)[C@H]([C@@H](C)O)[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000810022659 994676009 /nfs/dbraw/zinc/67/60/09/994676009.db2.gz VJLMHMYEUFAYRG-UZLBHIALSA-N 1 2 356.466 2.677 20 10 FFCDLO COC(=O)[C@H]([C@@H](C)O)[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000810022659 994676011 /nfs/dbraw/zinc/67/60/11/994676011.db2.gz VJLMHMYEUFAYRG-UZLBHIALSA-N 1 2 356.466 2.677 20 10 FFCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825441256 997376673 /nfs/dbraw/zinc/37/66/73/997376673.db2.gz NLTDBWZZCRUJGJ-RHSMWYFYSA-N 1 2 365.470 2.851 20 10 FFCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825441256 997376685 /nfs/dbraw/zinc/37/66/85/997376685.db2.gz NLTDBWZZCRUJGJ-RHSMWYFYSA-N 1 2 365.470 2.851 20 10 FFCDLO C[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)n1cc[nH+]c1 ZINC000844340695 997795719 /nfs/dbraw/zinc/79/57/19/997795719.db2.gz BSSRTFZOZXMZGK-BZUAXINKSA-N 1 2 374.460 2.903 20 10 FFCDLO COc1ccc(N(C)CCN(C)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000844544276 997970195 /nfs/dbraw/zinc/97/01/95/997970195.db2.gz OQAQXGLVSZLPTA-UHFFFAOYSA-N 1 2 353.426 2.943 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001144306541 998301776 /nfs/dbraw/zinc/30/17/76/998301776.db2.gz GIKVLGFARLVMQO-UHFFFAOYSA-N 1 2 355.211 2.722 20 10 FFCDLO CCOc1ccc(N(C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000739922533 999657964 /nfs/dbraw/zinc/65/79/64/999657964.db2.gz LXKXZJHTPKBMFF-UHFFFAOYSA-N 1 2 373.522 2.927 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCN(C)C[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000846066971 1000202555 /nfs/dbraw/zinc/20/25/55/1000202555.db2.gz KGSMROUYHLSDOW-QGZVFWFLSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCN(C)C[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000846066971 1000202558 /nfs/dbraw/zinc/20/25/58/1000202558.db2.gz KGSMROUYHLSDOW-QGZVFWFLSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(CN2CC[N@H+](C)C[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000846066971 1000202561 /nfs/dbraw/zinc/20/25/61/1000202561.db2.gz KGSMROUYHLSDOW-QGZVFWFLSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(CN2CC[N@@H+](C)C[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000846066971 1000202563 /nfs/dbraw/zinc/20/25/63/1000202563.db2.gz KGSMROUYHLSDOW-QGZVFWFLSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](F)c3ccccc3)CC2)cc1 ZINC000768982481 1000398188 /nfs/dbraw/zinc/39/81/88/1000398188.db2.gz CTFNFMQZXWVWRS-HXUWFJFHSA-N 1 2 371.456 2.644 20 10 FFCDLO COc1ccc(O)c([C@H](C)NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000746776728 1001941728 /nfs/dbraw/zinc/94/17/28/1001941728.db2.gz WGDOHJBRBDBBFT-AWEZNQCLSA-N 1 2 368.437 2.960 20 10 FFCDLO O=C(CNc1c(Br)ccc2[nH+]ccn21)c1ccc(O)c(O)c1 ZINC001170321216 1003110539 /nfs/dbraw/zinc/11/05/39/1003110539.db2.gz XLPYYKPRAYTYHW-UHFFFAOYSA-N 1 2 362.183 2.803 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(c3cccnn3)CC2)c(C(F)(F)F)c1 ZINC000792808547 1003189892 /nfs/dbraw/zinc/18/98/92/1003189892.db2.gz XYUBNEMNDHHQMI-UHFFFAOYSA-N 1 2 365.403 2.884 20 10 FFCDLO COc1ccc(O)c(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC000793689453 1003467052 /nfs/dbraw/zinc/46/70/52/1003467052.db2.gz MIRLYLJCFYQZFJ-UHFFFAOYSA-N 1 2 361.348 2.654 20 10 FFCDLO C[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)[NH+]1CCSCC1 ZINC000775490937 1003984387 /nfs/dbraw/zinc/98/43/87/1003984387.db2.gz DKFMRLLDLHRLCH-CQSZACIVSA-N 1 2 367.478 2.772 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000815260503 1006558485 /nfs/dbraw/zinc/55/84/85/1006558485.db2.gz BJIHKFXAWZUAHI-UHFFFAOYSA-N 1 2 368.437 2.619 20 10 FFCDLO Cc1cc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(C)[nH+]1 ZINC000817170677 1007452311 /nfs/dbraw/zinc/45/23/11/1007452311.db2.gz IUBWXHIWYYISIY-UHFFFAOYSA-N 1 2 368.481 2.877 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875492 1008233051 /nfs/dbraw/zinc/23/30/51/1008233051.db2.gz QHLVJUPNRQAGGL-SGTLLEGYSA-N 1 2 354.406 2.543 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3Cc4c[nH+]cn4C3)c2C)cc1 ZINC000857891456 1008236120 /nfs/dbraw/zinc/23/61/20/1008236120.db2.gz VLKUGEMQDIEQFZ-HNNXBMFYSA-N 1 2 350.422 2.654 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CCn3c[nH+]cc32)CCCC1 ZINC000857975966 1008267071 /nfs/dbraw/zinc/26/70/71/1008267071.db2.gz UGXAQLMZUAWPFZ-QGZVFWFLSA-N 1 2 364.449 2.986 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000821066419 1008411892 /nfs/dbraw/zinc/41/18/92/1008411892.db2.gz YAEQMKHZPQPOBP-KUHUBIRLSA-N 1 2 370.449 2.861 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000821066419 1008411897 /nfs/dbraw/zinc/41/18/97/1008411897.db2.gz YAEQMKHZPQPOBP-KUHUBIRLSA-N 1 2 370.449 2.861 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCc2cn(C)c[nH+]2)ccc1C ZINC000861946380 1009638462 /nfs/dbraw/zinc/63/84/62/1009638462.db2.gz DRPHDRZEMCJNIT-UHFFFAOYSA-N 1 2 364.449 2.921 20 10 FFCDLO Cc1cn2cc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc2[nH+]1 ZINC000773855623 1009657525 /nfs/dbraw/zinc/65/75/25/1009657525.db2.gz GBVSPZSPKLLAEN-CQSZACIVSA-N 1 2 365.437 2.525 20 10 FFCDLO CCCNc1cc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)nc[nH+]1 ZINC000865715429 1010848101 /nfs/dbraw/zinc/84/81/01/1010848101.db2.gz RVFVAOKNYAIZKJ-UHFFFAOYSA-N 1 2 368.485 2.579 20 10 FFCDLO CCCNc1cc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)[nH+]cn1 ZINC000865715429 1010848105 /nfs/dbraw/zinc/84/81/05/1010848105.db2.gz RVFVAOKNYAIZKJ-UHFFFAOYSA-N 1 2 368.485 2.579 20 10 FFCDLO Cc1ccc(O)c(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000868952666 1011545067 /nfs/dbraw/zinc/54/50/67/1011545067.db2.gz MKUGTCGMXWJTBD-UHFFFAOYSA-N 1 2 372.494 2.648 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172641367 1011912449 /nfs/dbraw/zinc/91/24/49/1011912449.db2.gz WEBOXZVTAJRMFY-AWEZNQCLSA-N 1 2 351.443 2.508 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000725718036 1020248736 /nfs/dbraw/zinc/24/87/36/1020248736.db2.gz UILKSDXKOFNBTM-SFHVURJKSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000725718036 1020248747 /nfs/dbraw/zinc/24/87/47/1020248747.db2.gz UILKSDXKOFNBTM-SFHVURJKSA-N 1 2 355.482 2.853 20 10 FFCDLO COc1ccc2c(c1O[C@@H]1CC[NH2+]CC1(F)F)C(=O)c1ccccc1C2=O ZINC001218010646 1032950168 /nfs/dbraw/zinc/95/01/68/1032950168.db2.gz QIRSAQVYOHIJGI-OAHLLOKOSA-N 1 2 373.355 2.847 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1CCCn2nnc(COc3cccnc3)c2C1 ZINC001137832621 1033166457 /nfs/dbraw/zinc/16/64/57/1033166457.db2.gz BKRBZFWNXQYMGL-UHFFFAOYSA-N 1 2 369.400 2.503 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCCn2nnc(COc3cccnc3)c2C1 ZINC001137832621 1033166459 /nfs/dbraw/zinc/16/64/59/1033166459.db2.gz BKRBZFWNXQYMGL-UHFFFAOYSA-N 1 2 369.400 2.503 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCc2[nH+]ccn2C)ccc1C ZINC001123925468 1024149844 /nfs/dbraw/zinc/14/98/44/1024149844.db2.gz NBYLGVBGLPEJPX-UHFFFAOYSA-N 1 2 364.449 2.921 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000759097194 1024465179 /nfs/dbraw/zinc/46/51/79/1024465179.db2.gz LIKRSJLPLNIVGW-IBGZPJMESA-N 1 2 367.493 2.949 20 10 FFCDLO COCC1(O)CC[NH+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000759323592 1024561370 /nfs/dbraw/zinc/56/13/70/1024561370.db2.gz GWRICVMTKZPZMN-UHFFFAOYSA-N 1 2 374.456 2.889 20 10 FFCDLO CN1CCOc2cc(C[N@@H+]3CC[C@@H](S(=O)(=O)c4ccccc4)C3)ccc21 ZINC001141143684 1025518102 /nfs/dbraw/zinc/51/81/02/1025518102.db2.gz FQNZAFFDSPZYNY-GOSISDBHSA-N 1 2 372.490 2.563 20 10 FFCDLO CN1CCOc2cc(C[N@H+]3CC[C@@H](S(=O)(=O)c4ccccc4)C3)ccc21 ZINC001141143684 1025518113 /nfs/dbraw/zinc/51/81/13/1025518113.db2.gz FQNZAFFDSPZYNY-GOSISDBHSA-N 1 2 372.490 2.563 20 10 FFCDLO C[C@H](O)CNc1cc(N(C)Cc2ccc(N3CCCCC3)cc2)nc[nH+]1 ZINC000840237756 1027015786 /nfs/dbraw/zinc/01/57/86/1027015786.db2.gz DQWBZONOPMOCLU-INIZCTEOSA-N 1 2 355.486 2.896 20 10 FFCDLO C[C@H](O)CNc1cc(N(C)Cc2ccc(N3CCCCC3)cc2)[nH+]cn1 ZINC000840237756 1027015792 /nfs/dbraw/zinc/01/57/92/1027015792.db2.gz DQWBZONOPMOCLU-INIZCTEOSA-N 1 2 355.486 2.896 20 10 FFCDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(N4CCCC4)cc3)[nH+]cn2)C1 ZINC000840242932 1027016462 /nfs/dbraw/zinc/01/64/62/1027016462.db2.gz FHFVPTGAERLONE-AEFFLSMTSA-N 1 2 367.497 2.896 20 10 FFCDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(N4CCCC4)cc3)nc[nH+]2)C1 ZINC000840242932 1027016468 /nfs/dbraw/zinc/01/64/68/1027016468.db2.gz FHFVPTGAERLONE-AEFFLSMTSA-N 1 2 367.497 2.896 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000840265985 1027025972 /nfs/dbraw/zinc/02/59/72/1027025972.db2.gz CRZFTJXVYRFVSR-QGZVFWFLSA-N 1 2 357.502 2.968 20 10 FFCDLO O=C(Cc1ccccc1)N1CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142527007 1030579819 /nfs/dbraw/zinc/57/98/19/1030579819.db2.gz GDKCZVVCEWNDHY-UHFFFAOYSA-N 1 2 360.404 2.947 20 10 FFCDLO O=C(Cc1ccccc1)N1CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142527007 1030579826 /nfs/dbraw/zinc/57/98/26/1030579826.db2.gz GDKCZVVCEWNDHY-UHFFFAOYSA-N 1 2 360.404 2.947 20 10 FFCDLO COC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000784667416 1030742591 /nfs/dbraw/zinc/74/25/91/1030742591.db2.gz IDLGPNJNXUVCAW-NVXWUHKLSA-N 1 2 363.458 2.821 20 10 FFCDLO COC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000784667416 1030742608 /nfs/dbraw/zinc/74/26/08/1030742608.db2.gz IDLGPNJNXUVCAW-NVXWUHKLSA-N 1 2 363.458 2.821 20 10 FFCDLO O=C(c1ccccn1)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329840 1031231223 /nfs/dbraw/zinc/23/12/23/1031231223.db2.gz ZYYHSHDORIRWAA-UHFFFAOYSA-N 1 2 350.466 2.640 20 10 FFCDLO COc1cc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)cc(O)c1O ZINC001204342836 1031236834 /nfs/dbraw/zinc/23/68/34/1031236834.db2.gz NLNQBGHJRYJHFB-UHFFFAOYSA-N 1 2 350.365 2.707 20 10 FFCDLO COc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)cc(O)c1O ZINC001204350493 1031248689 /nfs/dbraw/zinc/24/86/89/1031248689.db2.gz IECWGXSBIIPAMJ-MRXNPFEDSA-N 1 2 356.413 2.802 20 10 FFCDLO CCOC(=O)C1(C)CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139127053 1034957229 /nfs/dbraw/zinc/95/72/29/1034957229.db2.gz CQYPHYYMYIYZSX-UHFFFAOYSA-N 1 2 359.422 2.972 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001139128881 1034958452 /nfs/dbraw/zinc/95/84/52/1034958452.db2.gz HPCKPHXDSQCIGV-ZDUSSCGKSA-N 1 2 359.422 2.971 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001139128881 1034958459 /nfs/dbraw/zinc/95/84/59/1034958459.db2.gz HPCKPHXDSQCIGV-ZDUSSCGKSA-N 1 2 359.422 2.971 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3[nH]nc4ccc(OC)cc43)CC2)cc1 ZINC001140065398 1035328832 /nfs/dbraw/zinc/32/88/32/1035328832.db2.gz HOKYQBQJDKBPAT-UHFFFAOYSA-N 1 2 352.438 2.902 20 10 FFCDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1c(O)cccc1Cl)C2 ZINC001140343943 1035446114 /nfs/dbraw/zinc/44/61/14/1035446114.db2.gz ALGMKWOEVSMPGK-UHFFFAOYSA-N 1 2 363.893 2.883 20 10 FFCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2O)N1Cc1cnoc1 ZINC001277231235 1035667611 /nfs/dbraw/zinc/66/76/11/1035667611.db2.gz AEDVZIBEYUYZDL-HZPDHXFCSA-N 1 2 361.829 2.799 20 10 FFCDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(Cl)c2O)N1Cc1cnoc1 ZINC001277231235 1035667616 /nfs/dbraw/zinc/66/76/16/1035667616.db2.gz AEDVZIBEYUYZDL-HZPDHXFCSA-N 1 2 361.829 2.799 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232706 1035682545 /nfs/dbraw/zinc/68/25/45/1035682545.db2.gz XNKQDVKOEHETRS-UGSOOPFHSA-N 1 2 352.862 2.647 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232706 1035682548 /nfs/dbraw/zinc/68/25/48/1035682548.db2.gz XNKQDVKOEHETRS-UGSOOPFHSA-N 1 2 352.862 2.647 20 10 FFCDLO CO[C@@H]1CC[N@H+](CCOc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001228078213 1035918301 /nfs/dbraw/zinc/91/83/01/1035918301.db2.gz FIRALCRYLVQUKJ-CQSZACIVSA-N 1 2 351.402 2.562 20 10 FFCDLO CO[C@@H]1CC[N@@H+](CCOc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001228078213 1035918312 /nfs/dbraw/zinc/91/83/12/1035918312.db2.gz FIRALCRYLVQUKJ-CQSZACIVSA-N 1 2 351.402 2.562 20 10 FFCDLO C[N@@H+]1CCC[C@@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)CC1 ZINC001228516817 1036154212 /nfs/dbraw/zinc/15/42/12/1036154212.db2.gz OPMMPAAEOBNTSQ-CQSZACIVSA-N 1 2 373.405 2.603 20 10 FFCDLO C[N@H+]1CCC[C@@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)CC1 ZINC001228516817 1036154222 /nfs/dbraw/zinc/15/42/22/1036154222.db2.gz OPMMPAAEOBNTSQ-CQSZACIVSA-N 1 2 373.405 2.603 20 10 FFCDLO Oc1cc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc(O)c1O ZINC001233017102 1036255527 /nfs/dbraw/zinc/25/55/27/1036255527.db2.gz RUFIWROZVSEDSX-UHFFFAOYSA-N 1 2 351.406 2.674 20 10 FFCDLO O=C(NC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1)N1CCCCC1 ZINC001233336768 1036544528 /nfs/dbraw/zinc/54/45/28/1036544528.db2.gz ZOFRYTRFWOAHTI-UHFFFAOYSA-N 1 2 353.413 2.830 20 10 FFCDLO COc1ccc2c(c1O[C@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1C2=O ZINC001229243435 1036572982 /nfs/dbraw/zinc/57/29/82/1036572982.db2.gz UGJBLSBOVAHRRT-ZDUSSCGKSA-N 1 2 351.402 2.944 20 10 FFCDLO COc1ccc2c(c1O[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccccc1C2=O ZINC001229243435 1036572987 /nfs/dbraw/zinc/57/29/87/1036572987.db2.gz UGJBLSBOVAHRRT-ZDUSSCGKSA-N 1 2 351.402 2.944 20 10 FFCDLO COc1ccc2c(c1O[C@@H]1C[NH+]3CCC1CC3)C(=O)c1ccccc1C2=O ZINC001229243751 1036573775 /nfs/dbraw/zinc/57/37/75/1036573775.db2.gz XOJOJMMQAJAXHU-GOSISDBHSA-N 1 2 363.413 2.944 20 10 FFCDLO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(OC)c1 ZINC001141032877 1036779311 /nfs/dbraw/zinc/77/93/11/1036779311.db2.gz QXKPKUQIOOFQQG-QGZVFWFLSA-N 1 2 356.413 2.715 20 10 FFCDLO CC[N@@H+]1CC[C@@H](Oc2c(C)c(O)cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229828935 1036923741 /nfs/dbraw/zinc/92/37/41/1036923741.db2.gz IOUOXVDAQJEIJA-CYBMUJFWSA-N 1 2 351.402 2.949 20 10 FFCDLO CC[N@H+]1CC[C@@H](Oc2c(C)c(O)cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229828935 1036923747 /nfs/dbraw/zinc/92/37/47/1036923747.db2.gz IOUOXVDAQJEIJA-CYBMUJFWSA-N 1 2 351.402 2.949 20 10 FFCDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCC1=O ZINC001234525747 1037074357 /nfs/dbraw/zinc/07/43/57/1037074357.db2.gz JCKKDYJEZMLHOJ-KRWDZBQOSA-N 1 2 357.406 2.508 20 10 FFCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)CCC1=O ZINC001234525747 1037074377 /nfs/dbraw/zinc/07/43/77/1037074377.db2.gz JCKKDYJEZMLHOJ-KRWDZBQOSA-N 1 2 357.406 2.508 20 10 FFCDLO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235064500 1037335458 /nfs/dbraw/zinc/33/54/58/1037335458.db2.gz FRJBREQZKDQGSY-SNVBAGLBSA-N 1 2 359.239 2.594 20 10 FFCDLO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235064500 1037335474 /nfs/dbraw/zinc/33/54/74/1037335474.db2.gz FRJBREQZKDQGSY-SNVBAGLBSA-N 1 2 359.239 2.594 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001235307004 1037465901 /nfs/dbraw/zinc/46/59/01/1037465901.db2.gz JUQVIOQGPAXZPG-LBPRGKRZSA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001235307004 1037465918 /nfs/dbraw/zinc/46/59/18/1037465918.db2.gz JUQVIOQGPAXZPG-LBPRGKRZSA-N 1 2 368.206 2.737 20 10 FFCDLO [NH3+][C@H]1CCN(Cc2cc(Cl)cc(Br)c2O)CC1(F)F ZINC001235914803 1037830254 /nfs/dbraw/zinc/83/02/54/1037830254.db2.gz LXZYXQSSXYMBDV-JTQLQIEISA-N 1 2 355.610 2.976 20 10 FFCDLO CC(C)N(C)C(=O)C1=NO[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001231909539 1038000308 /nfs/dbraw/zinc/00/03/08/1038000308.db2.gz CBHJPDIJOJCJQS-GOSISDBHSA-N 1 2 365.861 2.633 20 10 FFCDLO CC(C)N(C)C(=O)C1=NO[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001231909539 1038000334 /nfs/dbraw/zinc/00/03/34/1038000334.db2.gz CBHJPDIJOJCJQS-GOSISDBHSA-N 1 2 365.861 2.633 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)cc1OC ZINC001236749538 1038235549 /nfs/dbraw/zinc/23/55/49/1038235549.db2.gz JRSOQVYLFYPPMA-OKILXGFUSA-N 1 2 364.442 2.603 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)cc1OC ZINC001236749538 1038235562 /nfs/dbraw/zinc/23/55/62/1038235562.db2.gz JRSOQVYLFYPPMA-OKILXGFUSA-N 1 2 364.442 2.603 20 10 FFCDLO COc1cc(C)c(C[N@@H+]2CCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001236806949 1038281610 /nfs/dbraw/zinc/28/16/10/1038281610.db2.gz AZNBMBXFUYBLSL-UHFFFAOYSA-N 1 2 357.454 2.848 20 10 FFCDLO COc1cc(C)c(C[N@H+]2CCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001236806949 1038281624 /nfs/dbraw/zinc/28/16/24/1038281624.db2.gz AZNBMBXFUYBLSL-UHFFFAOYSA-N 1 2 357.454 2.848 20 10 FFCDLO COc1ccc(C[N@H+](C)Cc2ccno2)c(O)c1I ZINC001248498639 1040301940 /nfs/dbraw/zinc/30/19/40/1040301940.db2.gz ILXSUBXJOQFFFH-UHFFFAOYSA-N 1 2 374.178 2.625 20 10 FFCDLO COc1ccc(C[N@@H+](C)Cc2ccno2)c(O)c1I ZINC001248498639 1040301956 /nfs/dbraw/zinc/30/19/56/1040301956.db2.gz ILXSUBXJOQFFFH-UHFFFAOYSA-N 1 2 374.178 2.625 20 10 FFCDLO COC(=O)Cc1ccc(CN2CC3(CC[N@@H+]3Cc3ccccc3)C2)c(O)c1 ZINC001249201021 1040624099 /nfs/dbraw/zinc/62/40/99/1040624099.db2.gz BHBAULVFKXJBQG-UHFFFAOYSA-N 1 2 366.461 2.568 20 10 FFCDLO COC(=O)Cc1ccc(CN2CC3(CC[N@H+]3Cc3ccccc3)C2)c(O)c1 ZINC001249201021 1040624107 /nfs/dbraw/zinc/62/41/07/1040624107.db2.gz BHBAULVFKXJBQG-UHFFFAOYSA-N 1 2 366.461 2.568 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1O ZINC001278566022 1041191617 /nfs/dbraw/zinc/19/16/17/1041191617.db2.gz YKOJELYFZRHODH-CALCHBBNSA-N 1 2 359.857 2.792 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1O ZINC001278566022 1041191625 /nfs/dbraw/zinc/19/16/25/1041191625.db2.gz YKOJELYFZRHODH-CALCHBBNSA-N 1 2 359.857 2.792 20 10 FFCDLO O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3cc(Cl)cc(F)c3O)C[C@H]2C1 ZINC001237620945 1043278213 /nfs/dbraw/zinc/27/82/13/1043278213.db2.gz ZIOFDMCAYMCTOV-STQMWFEESA-N 1 2 364.804 2.982 20 10 FFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1O ZINC001237679739 1043307839 /nfs/dbraw/zinc/30/78/39/1043307839.db2.gz LSOHPGXRSXXOSD-HNNXBMFYSA-N 1 2 370.877 2.768 20 10 FFCDLO Cc1cc(Cl)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1O ZINC001237679739 1043307848 /nfs/dbraw/zinc/30/78/48/1043307848.db2.gz LSOHPGXRSXXOSD-HNNXBMFYSA-N 1 2 370.877 2.768 20 10 FFCDLO Cc1cccn2cc(C[NH2+]Cc3ccc(N4CCN(C)CC4)c(F)c3)nc12 ZINC001318729430 1044843918 /nfs/dbraw/zinc/84/39/18/1044843918.db2.gz JGMCAAARLJCJPP-UHFFFAOYSA-N 1 2 367.472 2.823 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1 ZINC001540440718 1070891116 /nfs/dbraw/zinc/89/11/16/1070891116.db2.gz RDEAYNSYYGMYRI-UHFFFAOYSA-N 1 2 350.422 2.916 20 10 FFCDLO CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305069315 1051795170 /nfs/dbraw/zinc/79/51/70/1051795170.db2.gz CXDUDUZKISCHMK-ZENOOKHLSA-N 1 2 354.878 2.796 20 10 FFCDLO CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305069315 1051795179 /nfs/dbraw/zinc/79/51/79/1051795179.db2.gz CXDUDUZKISCHMK-ZENOOKHLSA-N 1 2 354.878 2.796 20 10 FFCDLO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308239773 1052436057 /nfs/dbraw/zinc/43/60/57/1052436057.db2.gz GBLDNDBXZJDUJT-UHFFFAOYSA-N 1 2 354.784 2.772 20 10 FFCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000847407602 1055722861 /nfs/dbraw/zinc/72/28/61/1055722861.db2.gz LRIRPYWLQDDOIW-OXJNMPFZSA-N 1 2 370.497 2.862 20 10 FFCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000847407602 1055722866 /nfs/dbraw/zinc/72/28/66/1055722866.db2.gz LRIRPYWLQDDOIW-OXJNMPFZSA-N 1 2 370.497 2.862 20 10 FFCDLO CN(c1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC001442450430 1063536180 /nfs/dbraw/zinc/53/61/80/1063536180.db2.gz QHOZBGNZOHYEDW-YVMONPNESA-N 1 2 371.525 2.960 20 10 FFCDLO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001560290751 1076260761 /nfs/dbraw/zinc/26/07/61/1076260761.db2.gz NDHKQUMPTCYDFN-JTQLQIEISA-N 1 2 372.849 2.944 20 10 FFCDLO CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC000058558567 507437134 /nfs/dbraw/zinc/43/71/34/507437134.db2.gz YFPBETZMNMXBQQ-UHFFFAOYSA-N 1 2 371.460 2.886 20 10 FFCDLO O=C(NCCc1cn2ccccc2[nH+]1)NCc1ccc(N2CCCC2)cc1 ZINC000048414418 507519090 /nfs/dbraw/zinc/51/90/90/507519090.db2.gz GBNCGVYIPJMSJM-UHFFFAOYSA-N 1 2 363.465 2.976 20 10 FFCDLO CCc1nn(C)c(NC2CC[NH+](c3ccc(OC)cc3)CC2)c1[N+](=O)[O-] ZINC000092829609 508104256 /nfs/dbraw/zinc/10/42/56/508104256.db2.gz CYKSUCBDINDMEO-UHFFFAOYSA-N 1 2 359.430 2.980 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000137988106 508768132 /nfs/dbraw/zinc/76/81/32/508768132.db2.gz PHCICKUEWBOQFL-MRXNPFEDSA-N 1 2 373.476 2.790 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1OC ZINC000159962756 508918335 /nfs/dbraw/zinc/91/83/35/508918335.db2.gz QAPUZJDYYGTMOX-UHFFFAOYSA-N 1 2 362.470 2.634 20 10 FFCDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000179882705 509659747 /nfs/dbraw/zinc/65/97/47/509659747.db2.gz HUJWNQZQTYJAGB-NSHDSACASA-N 1 2 354.859 2.886 20 10 FFCDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000179882705 509659752 /nfs/dbraw/zinc/65/97/52/509659752.db2.gz HUJWNQZQTYJAGB-NSHDSACASA-N 1 2 354.859 2.886 20 10 FFCDLO Cc1cc(/C=C2/SC(=S)N(CC[NH+]3CCOCC3)C2=O)ccc1F ZINC000171770371 510358918 /nfs/dbraw/zinc/35/89/18/510358918.db2.gz IBZCSXXNPXDGOU-RVDMUPIBSA-N 1 2 366.483 2.668 20 10 FFCDLO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c(O)c1O ZINC000181829738 510616057 /nfs/dbraw/zinc/61/60/57/510616057.db2.gz OVFPCFBITVPRLI-OAHLLOKOSA-N 1 2 355.369 2.798 20 10 FFCDLO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1nc(Cc2ccccc2)no1 ZINC000191598320 510743873 /nfs/dbraw/zinc/74/38/73/510743873.db2.gz LRZJTLFOIRKDLC-GFCCVEGCSA-N 1 2 353.378 2.946 20 10 FFCDLO C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000276863356 510948553 /nfs/dbraw/zinc/94/85/53/510948553.db2.gz CXPAHJXESJQDLV-RMLUDKJBSA-N 1 2 365.302 2.505 20 10 FFCDLO CC(C)S(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000276928873 510950195 /nfs/dbraw/zinc/95/01/95/510950195.db2.gz NVLLWAYBXHGXSB-LLVKDONJSA-N 1 2 362.442 2.524 20 10 FFCDLO COc1cccc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)CCO2)c1 ZINC000278138229 510983691 /nfs/dbraw/zinc/98/36/91/510983691.db2.gz AMDWXLQHNJXTDV-QGZVFWFLSA-N 1 2 374.393 2.891 20 10 FFCDLO COc1cccc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)CCO2)c1 ZINC000278138229 510983695 /nfs/dbraw/zinc/98/36/95/510983695.db2.gz AMDWXLQHNJXTDV-QGZVFWFLSA-N 1 2 374.393 2.891 20 10 FFCDLO COc1ccc(O)c([C@H](C)Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)c1 ZINC000291272477 511164568 /nfs/dbraw/zinc/16/45/68/511164568.db2.gz UBWZVDMWCDIMDI-AWEZNQCLSA-N 1 2 355.438 2.506 20 10 FFCDLO COc1ccc(O)c([C@H](C)Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)c1 ZINC000291272477 511164573 /nfs/dbraw/zinc/16/45/73/511164573.db2.gz UBWZVDMWCDIMDI-AWEZNQCLSA-N 1 2 355.438 2.506 20 10 FFCDLO COc1c(O)c(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000365122413 511269709 /nfs/dbraw/zinc/26/97/09/511269709.db2.gz RHJJLUOXNNVCGN-KRWDZBQOSA-N 1 2 368.393 2.922 20 10 FFCDLO COc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(O)c1 ZINC000366255163 511925273 /nfs/dbraw/zinc/92/52/73/511925273.db2.gz RNPZEPKLXGHZSE-UHFFFAOYSA-N 1 2 370.384 2.725 20 10 FFCDLO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1=O ZINC000360023056 512064208 /nfs/dbraw/zinc/06/42/08/512064208.db2.gz QVVVKTUVNSFZNF-QLJPJBMISA-N 1 2 372.252 2.509 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CCO)c(C)n1-c1cccc(Br)c1 ZINC000746347393 735478075 /nfs/dbraw/zinc/47/80/75/735478075.db2.gz OFPBOFJZVWFWHK-UHFFFAOYSA-N 1 2 365.271 2.963 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CCO)c(C)n1-c1cccc(Br)c1 ZINC000746347393 735478076 /nfs/dbraw/zinc/47/80/76/735478076.db2.gz OFPBOFJZVWFWHK-UHFFFAOYSA-N 1 2 365.271 2.963 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C(C)C)C(C)C)CC2)cc1F ZINC000084866875 728426537 /nfs/dbraw/zinc/42/65/37/728426537.db2.gz DGHSWFPPTWIXKU-UHFFFAOYSA-N 1 2 351.466 2.602 20 10 FFCDLO Oc1cccc(Br)c1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000862216417 730677019 /nfs/dbraw/zinc/67/70/19/730677019.db2.gz IYPNRTJIWVUKKI-UHFFFAOYSA-N 1 2 362.271 2.868 20 10 FFCDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cccc(Br)c2O)n1 ZINC000862433326 730702303 /nfs/dbraw/zinc/70/23/03/730702303.db2.gz VOWOGAPSPKUBKH-UHFFFAOYSA-N 1 2 352.232 2.984 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3cc(C)ns3)CC2)cc(OC)c1OC ZINC000877345581 732347319 /nfs/dbraw/zinc/34/73/19/732347319.db2.gz HJEHSDLWFOLHCX-UHFFFAOYSA-N 1 2 363.483 2.800 20 10 FFCDLO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000877719530 732419161 /nfs/dbraw/zinc/41/91/61/732419161.db2.gz BVCVZIOTAHYQCA-UHFFFAOYSA-N 1 2 354.878 2.941 20 10 FFCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1nnc2n1CCC2 ZINC000882886434 733308028 /nfs/dbraw/zinc/30/80/28/733308028.db2.gz UDYPUIRWQLBBFO-QMMMGPOBSA-N 1 2 355.211 2.682 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000883082079 733329449 /nfs/dbraw/zinc/32/94/49/733329449.db2.gz VZCZIZVWAYEMFB-WFASDCNBSA-N 1 2 360.223 2.722 20 10 FFCDLO CO[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCSC1 ZINC000719258656 734377629 /nfs/dbraw/zinc/37/76/29/734377629.db2.gz HKNPQKRQPXLMEE-CYBMUJFWSA-N 1 2 350.253 2.906 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000894095720 734800672 /nfs/dbraw/zinc/80/06/72/734800672.db2.gz RITZPUZGKOALFU-UHFFFAOYSA-N 1 2 369.238 2.798 20 10 FFCDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)c(F)cc1O ZINC000756390058 736327233 /nfs/dbraw/zinc/32/72/33/736327233.db2.gz FTAUZWFFMPAHOC-QMMMGPOBSA-N 1 2 355.211 2.682 20 10 FFCDLO C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cc(F)cc(F)c1O ZINC000756524414 736338903 /nfs/dbraw/zinc/33/89/03/736338903.db2.gz IRWFHJOHWANWBM-NSHDSACASA-N 1 2 350.365 2.847 20 10 FFCDLO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)cc(F)c1O ZINC000756584884 736345086 /nfs/dbraw/zinc/34/50/86/736345086.db2.gz HIDBORZEWLIFAZ-SECBINFHSA-N 1 2 359.239 2.990 20 10 FFCDLO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756654615 736349795 /nfs/dbraw/zinc/34/97/95/736349795.db2.gz LJZYLQHSYBRHFC-UWVGGRQHSA-N 1 2 359.239 2.955 20 10 FFCDLO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756733433 736356620 /nfs/dbraw/zinc/35/66/20/736356620.db2.gz PNLMLDMZKBNOBO-UWVGGRQHSA-N 1 2 350.228 2.996 20 10 FFCDLO CC(C)(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761984300 736779754 /nfs/dbraw/zinc/77/97/54/736779754.db2.gz YEZRTLOPMONFON-CQSZACIVSA-N 1 2 352.862 2.741 20 10 FFCDLO CC(C)(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761984300 736779755 /nfs/dbraw/zinc/77/97/55/736779755.db2.gz YEZRTLOPMONFON-CQSZACIVSA-N 1 2 352.862 2.741 20 10 FFCDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000764814108 737052322 /nfs/dbraw/zinc/05/23/22/737052322.db2.gz NQJBTAVIOZDHCN-ZDUSSCGKSA-N 1 2 361.877 2.565 20 10 FFCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000775702492 738114907 /nfs/dbraw/zinc/11/49/07/738114907.db2.gz XNTRPHFSGZDGJN-NSHDSACASA-N 1 2 354.731 2.780 20 10 FFCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000775702492 738114909 /nfs/dbraw/zinc/11/49/09/738114909.db2.gz XNTRPHFSGZDGJN-NSHDSACASA-N 1 2 354.731 2.780 20 10 FFCDLO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(O)c3O)cc2Cl)CC1 ZINC000790613308 739474745 /nfs/dbraw/zinc/47/47/45/739474745.db2.gz HOHGDPVELCAYKJ-UHFFFAOYSA-N 1 2 361.829 2.755 20 10 FFCDLO CC[C@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@]2(CCOC2)O1 ZINC000793363214 739773785 /nfs/dbraw/zinc/77/37/85/739773785.db2.gz RGKXKXDXHKVBDL-BBRMVZONSA-N 1 2 356.260 2.925 20 10 FFCDLO CC[C@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@]2(CCOC2)O1 ZINC000793363214 739773790 /nfs/dbraw/zinc/77/37/90/739773790.db2.gz RGKXKXDXHKVBDL-BBRMVZONSA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O)C(=O)NCCF ZINC000800499331 740528738 /nfs/dbraw/zinc/52/87/38/740528738.db2.gz WRUUZVAGFBJHQZ-YUMQZZPRSA-N 1 2 367.646 2.933 20 10 FFCDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000805828467 741015699 /nfs/dbraw/zinc/01/56/99/741015699.db2.gz IMGODNVNTPYALX-CQSZACIVSA-N 1 2 354.834 2.959 20 10 FFCDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000805828467 741015700 /nfs/dbraw/zinc/01/57/00/741015700.db2.gz IMGODNVNTPYALX-CQSZACIVSA-N 1 2 354.834 2.959 20 10 FFCDLO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Cl)c1O ZINC000806166029 741044747 /nfs/dbraw/zinc/04/47/47/741044747.db2.gz OEYCIJAMIFCZNW-WFASDCNBSA-N 1 2 360.907 2.900 20 10 FFCDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)n1 ZINC000818345249 742265687 /nfs/dbraw/zinc/26/56/87/742265687.db2.gz SMYQCEHMCZCISK-ZDUSSCGKSA-N 1 2 363.893 2.947 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826510919 743390337 /nfs/dbraw/zinc/39/03/37/743390337.db2.gz RMCPPBFIXJEYSX-UHFFFAOYSA-N 1 2 351.744 2.794 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@](C)(C(F)F)O1 ZINC000827962784 745007961 /nfs/dbraw/zinc/00/79/61/745007961.db2.gz SNSYBMLNLZTDGU-FZKQIMNGSA-N 1 2 358.404 2.907 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@](C)(C(F)F)O1 ZINC000827962784 745007965 /nfs/dbraw/zinc/00/79/65/745007965.db2.gz SNSYBMLNLZTDGU-FZKQIMNGSA-N 1 2 358.404 2.907 20 10 FFCDLO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)[S@](=O)[C@@H](C)C3)cc2)CC1 ZINC000829171541 745175562 /nfs/dbraw/zinc/17/55/62/745175562.db2.gz WAFQECPMZMMWGO-FJPDQZSFSA-N 1 2 350.528 2.643 20 10 FFCDLO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)[S@](=O)[C@@H](C)C3)cc2)CC1 ZINC000829171541 745175564 /nfs/dbraw/zinc/17/55/64/745175564.db2.gz WAFQECPMZMMWGO-FJPDQZSFSA-N 1 2 350.528 2.643 20 10 FFCDLO Cn1ncc(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)n1 ZINC000839096734 746773902 /nfs/dbraw/zinc/77/39/02/746773902.db2.gz YQRUYOYKUSFBQE-UHFFFAOYSA-N 1 2 364.291 2.858 20 10 FFCDLO C[C@H](O)[C@H]1CCN(c2cc(NCCCSc3nccs3)[nH+]cn2)C1 ZINC000840259428 747050682 /nfs/dbraw/zinc/05/06/82/747050682.db2.gz DPAXTSACUGCSPF-STQMWFEESA-N 1 2 365.528 2.735 20 10 FFCDLO C[C@H](O)[C@H]1CCN(c2cc(NCCCSc3nccs3)nc[nH+]2)C1 ZINC000840259428 747050684 /nfs/dbraw/zinc/05/06/84/747050684.db2.gz DPAXTSACUGCSPF-STQMWFEESA-N 1 2 365.528 2.735 20 10 FFCDLO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000850354197 749350490 /nfs/dbraw/zinc/35/04/90/749350490.db2.gz XWFCLRKDARRYFF-LNSITVRQSA-N 1 2 358.276 2.810 20 10 FFCDLO CC1(O)CCN(c2cc(NCCCSc3nccs3)[nH+]cn2)CC1 ZINC000853326984 750048765 /nfs/dbraw/zinc/04/87/65/750048765.db2.gz VOVIBECXVSDNBH-UHFFFAOYSA-N 1 2 365.528 2.879 20 10 FFCDLO CC1(O)CCN(c2cc(NCCCSc3nccs3)nc[nH+]2)CC1 ZINC000853326984 750048771 /nfs/dbraw/zinc/04/87/71/750048771.db2.gz VOVIBECXVSDNBH-UHFFFAOYSA-N 1 2 365.528 2.879 20 10 FFCDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000895893483 971050440 /nfs/dbraw/zinc/05/04/40/971050440.db2.gz CEGIDHRSIKQAKS-INIZCTEOSA-N 1 2 356.470 2.641 20 10 FFCDLO OCC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(F)c(F)c1O ZINC000876726831 1014366375 /nfs/dbraw/zinc/36/63/75/1014366375.db2.gz ACARKAZQPCNPNL-UHFFFAOYSA-N 1 2 373.403 2.910 20 10 FFCDLO OCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(F)c(F)c1O ZINC000876726831 1014366389 /nfs/dbraw/zinc/36/63/89/1014366389.db2.gz ACARKAZQPCNPNL-UHFFFAOYSA-N 1 2 373.403 2.910 20 10 FFCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000728951701 978067676 /nfs/dbraw/zinc/06/76/76/978067676.db2.gz FFQUTYCRHHJHFO-CYBMUJFWSA-N 1 2 359.426 2.982 20 10 FFCDLO OC1CCN(c2ccc(C[NH2+]Cc3nnc(-c4ccccc4)[nH]3)cc2)CC1 ZINC000877150406 1014490579 /nfs/dbraw/zinc/49/05/79/1014490579.db2.gz RCHDYBXEEGCXQW-UHFFFAOYSA-N 1 2 363.465 2.723 20 10 FFCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000877921517 1014767167 /nfs/dbraw/zinc/76/71/67/1014767167.db2.gz JUWZOQCDIVNYDW-UHFFFAOYSA-N 1 2 368.481 2.877 20 10 FFCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000877921517 1014767169 /nfs/dbraw/zinc/76/71/69/1014767169.db2.gz JUWZOQCDIVNYDW-UHFFFAOYSA-N 1 2 368.481 2.877 20 10 FFCDLO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1c(F)cncc1F ZINC000796625949 1014817490 /nfs/dbraw/zinc/81/74/90/1014817490.db2.gz LWRYHVZTHAHLLT-CYBMUJFWSA-N 1 2 362.424 2.735 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)cc1 ZINC000057548520 984503461 /nfs/dbraw/zinc/50/34/61/984503461.db2.gz VZONHJXAQHUYFD-SQGPQFPESA-N 1 2 359.514 2.758 20 10 FFCDLO CN1CCCc2cc(CNC(=O)NCCCNc3cccc[nH+]3)ccc21 ZINC000060601756 984940927 /nfs/dbraw/zinc/94/09/27/984940927.db2.gz QIEMEGRRFWUSHB-UHFFFAOYSA-N 1 2 353.470 2.765 20 10 FFCDLO O=C(NCCCCn1cc[nH+]c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000918138962 990344531 /nfs/dbraw/zinc/34/45/31/990344531.db2.gz IDMNXYSSAVAOEH-GOSISDBHSA-N 1 2 372.469 2.760 20 10 FFCDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809714022 994590919 /nfs/dbraw/zinc/59/09/19/994590919.db2.gz VIFNNZDMRMJKHR-UHFFFAOYSA-N 1 2 365.430 2.534 20 10 FFCDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809714022 994590928 /nfs/dbraw/zinc/59/09/28/994590928.db2.gz VIFNNZDMRMJKHR-UHFFFAOYSA-N 1 2 365.430 2.534 20 10 FFCDLO COc1ccc(N2CC[C@H](CNC(=O)Nc3ccc4[nH+]ccn4c3)C2)cc1 ZINC000824199861 996833702 /nfs/dbraw/zinc/83/37/02/996833702.db2.gz UWTVYOAWXBPZGR-OAHLLOKOSA-N 1 2 365.437 2.991 20 10 FFCDLO C[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)n1cc[nH+]c1 ZINC000844340697 997795633 /nfs/dbraw/zinc/79/56/33/997795633.db2.gz BSSRTFZOZXMZGK-OAGGEKHMSA-N 1 2 374.460 2.903 20 10 FFCDLO COc1c(O)c(CN2CC[NH+](Cc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000774820234 1002807720 /nfs/dbraw/zinc/80/77/20/1002807720.db2.gz XKIDRRJWZZIULC-UHFFFAOYSA-N 1 2 371.437 2.935 20 10 FFCDLO NC(=O)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Cc1ccc(F)cc1 ZINC001201786580 1005273156 /nfs/dbraw/zinc/27/31/56/1005273156.db2.gz KOVDSTLSRBWXOH-LBPRGKRZSA-N 1 2 354.784 2.758 20 10 FFCDLO COCc1n[nH]c(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000850360717 1005811337 /nfs/dbraw/zinc/81/13/37/1005811337.db2.gz NVVBWKPMKGWEQP-UHFFFAOYSA-N 1 2 363.465 2.804 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)NCc3c[nH+]c(C)cc3C)C2)cc1 ZINC000852373552 1005995643 /nfs/dbraw/zinc/99/56/43/1005995643.db2.gz BZBOIBQEBCEIDZ-KRWDZBQOSA-N 1 2 354.454 2.785 20 10 FFCDLO CC[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Cl)c1O ZINC000858490583 1008368500 /nfs/dbraw/zinc/36/85/00/1008368500.db2.gz ZOTJJFTYTKLOOQ-WFASDCNBSA-N 1 2 372.860 2.803 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000858513664 1008372279 /nfs/dbraw/zinc/37/22/79/1008372279.db2.gz MZOKHPAWVZWHEL-HNNXBMFYSA-N 1 2 364.449 2.851 20 10 FFCDLO O=C(CCc1ccc(O)c(O)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001182153947 1010402811 /nfs/dbraw/zinc/40/28/11/1010402811.db2.gz RAEJKCLDOSPVRM-QPJJXVBHSA-N 1 2 366.461 2.888 20 10 FFCDLO Cc1nc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)ccc1F ZINC001217056224 1032599176 /nfs/dbraw/zinc/59/91/76/1032599176.db2.gz HMPYHLKLECXUDD-UHFFFAOYSA-N 1 2 370.384 2.784 20 10 FFCDLO C[NH+](C)Cc1csc(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000924773265 1017472272 /nfs/dbraw/zinc/47/22/72/1017472272.db2.gz NOBCOBNDJVPQTR-UHFFFAOYSA-N 1 2 374.510 2.789 20 10 FFCDLO Cc1cc(C(=O)NCc2nc(C[NH+](C)C)cs2)c(C)n1-c1ccccn1 ZINC000927771572 1018662480 /nfs/dbraw/zinc/66/24/80/1018662480.db2.gz MXDWMTAQXREBEO-UHFFFAOYSA-N 1 2 369.494 2.937 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CCOCCO)c(C)n1-c1ccc2c(c1)CCC2 ZINC000800508232 1020365656 /nfs/dbraw/zinc/36/56/56/1020365656.db2.gz NULMZAUDGVWNND-UHFFFAOYSA-N 1 2 370.493 2.706 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CCOCCO)c(C)n1-c1ccc2c(c1)CCC2 ZINC000800508232 1020365669 /nfs/dbraw/zinc/36/56/69/1020365669.db2.gz NULMZAUDGVWNND-UHFFFAOYSA-N 1 2 370.493 2.706 20 10 FFCDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000046984117 1022494224 /nfs/dbraw/zinc/49/42/24/1022494224.db2.gz BWVLGWGEWYBMME-UHFFFAOYSA-N 1 2 365.481 2.714 20 10 FFCDLO O=C1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCN1C1CC1 ZINC000753546836 1023350873 /nfs/dbraw/zinc/35/08/73/1023350873.db2.gz LKWYQTKSFSTTRK-UHFFFAOYSA-N 1 2 352.434 2.778 20 10 FFCDLO O=C1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCN1C1CC1 ZINC000753546836 1023350876 /nfs/dbraw/zinc/35/08/76/1023350876.db2.gz LKWYQTKSFSTTRK-UHFFFAOYSA-N 1 2 352.434 2.778 20 10 FFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779664407 1024386622 /nfs/dbraw/zinc/38/66/22/1024386622.db2.gz SZLYSCZNEPDMNJ-QGZVFWFLSA-N 1 2 355.486 2.884 20 10 FFCDLO CN1CCOc2cc(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)ccc21 ZINC001141146245 1025522684 /nfs/dbraw/zinc/52/26/84/1025522684.db2.gz PQOLTXHUIAACOU-SFHVURJKSA-N 1 2 351.441 2.821 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc(C(F)(F)F)nc3)CC2)cc1 ZINC001141451426 1026332321 /nfs/dbraw/zinc/33/23/21/1026332321.db2.gz NVDKPVVXTSYSPC-UHFFFAOYSA-N 1 2 352.360 2.826 20 10 FFCDLO Cn1nnc2c1CC[N@H+](Cc1ccccc1O)[C@H]2COCc1ccccc1 ZINC001203551294 1030760688 /nfs/dbraw/zinc/76/06/88/1030760688.db2.gz AXZPWOHNYWNRSM-IBGZPJMESA-N 1 2 364.449 2.837 20 10 FFCDLO Cn1nnc2c1CC[N@@H+](Cc1ccccc1O)[C@H]2COCc1ccccc1 ZINC001203551294 1030760702 /nfs/dbraw/zinc/76/07/02/1030760702.db2.gz AXZPWOHNYWNRSM-IBGZPJMESA-N 1 2 364.449 2.837 20 10 FFCDLO Oc1ccc(C[NH+]2CCN(c3ncccc3C(F)(F)F)CC2)cc1O ZINC001203873587 1030950193 /nfs/dbraw/zinc/95/01/93/1030950193.db2.gz GZQRSCLLQAJMPB-UHFFFAOYSA-N 1 2 353.344 2.834 20 10 FFCDLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccc(O)c(O)c2)n1 ZINC001203878887 1030952854 /nfs/dbraw/zinc/95/28/54/1030952854.db2.gz XLVXRSRDARWJPZ-IOMROCGXSA-N 1 2 370.449 2.750 20 10 FFCDLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccc(O)c(O)c2)n1 ZINC001203878887 1030952866 /nfs/dbraw/zinc/95/28/66/1030952866.db2.gz XLVXRSRDARWJPZ-IOMROCGXSA-N 1 2 370.449 2.750 20 10 FFCDLO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3ccc(O)cc3O)[C@H](C)C2)cc1 ZINC001204279186 1031205389 /nfs/dbraw/zinc/20/53/89/1031205389.db2.gz SNALKPKBLFDCGX-OAHLLOKOSA-N 1 2 370.449 2.591 20 10 FFCDLO COC(=O)c1ccc(C[N@H+]2CCN(Cc3ccc(O)cc3O)[C@H](C)C2)cc1 ZINC001204279186 1031205398 /nfs/dbraw/zinc/20/53/98/1031205398.db2.gz SNALKPKBLFDCGX-OAHLLOKOSA-N 1 2 370.449 2.591 20 10 FFCDLO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001204423286 1031281246 /nfs/dbraw/zinc/28/12/46/1031281246.db2.gz ZDZZEMVCSRIGFY-GJZGRUSLSA-N 1 2 353.457 2.661 20 10 FFCDLO CC(C)(C)[C@H]([NH3+])CC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218920120 1033408684 /nfs/dbraw/zinc/40/86/84/1033408684.db2.gz QZIAVUWWFZYABS-QGZVFWFLSA-N 1 2 366.417 2.870 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2c(C)n(C)c3ccccc32)Cc2nnn(C)c21 ZINC001138255363 1034024744 /nfs/dbraw/zinc/02/47/44/1034024744.db2.gz DLHVZVBQTZYEBB-HNNXBMFYSA-N 1 2 353.470 2.751 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2c(C)n(C)c3ccccc32)Cc2nnn(C)c21 ZINC001138255363 1034024757 /nfs/dbraw/zinc/02/47/57/1034024757.db2.gz DLHVZVBQTZYEBB-HNNXBMFYSA-N 1 2 353.470 2.751 20 10 FFCDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1O ZINC000832001902 1034467797 /nfs/dbraw/zinc/46/77/97/1034467797.db2.gz WYYLWICQDLCMNC-QZTJIDSGSA-N 1 2 354.410 2.732 20 10 FFCDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1O ZINC000832001902 1034467810 /nfs/dbraw/zinc/46/78/10/1034467810.db2.gz WYYLWICQDLCMNC-QZTJIDSGSA-N 1 2 354.410 2.732 20 10 FFCDLO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3c(F)ccc(F)c3O)CC2)C1 ZINC001139686889 1035198038 /nfs/dbraw/zinc/19/80/38/1035198038.db2.gz IAJLAXCFKAXRRZ-CYBMUJFWSA-N 1 2 368.424 2.520 20 10 FFCDLO COC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3c(F)ccc(F)c3O)CC2)C1 ZINC001139686889 1035198041 /nfs/dbraw/zinc/19/80/41/1035198041.db2.gz IAJLAXCFKAXRRZ-CYBMUJFWSA-N 1 2 368.424 2.520 20 10 FFCDLO Cc1cc(CC(=O)NCC2([NH+]3CCOCC3)CC2)c(C)n1-c1ccccc1 ZINC000834474079 1035393849 /nfs/dbraw/zinc/39/38/49/1035393849.db2.gz ZDUMFAIEWVUXOD-UHFFFAOYSA-N 1 2 367.493 2.618 20 10 FFCDLO Oc1cc(Cl)ccc1CN1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001140466566 1035485694 /nfs/dbraw/zinc/48/56/94/1035485694.db2.gz GTCVNIXUYLCGDZ-HNAYVOBHSA-N 1 2 362.857 2.971 20 10 FFCDLO Oc1cc(Cl)ccc1CN1C[C@@H]2C[N@@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001140466566 1035485696 /nfs/dbraw/zinc/48/56/96/1035485696.db2.gz GTCVNIXUYLCGDZ-HNAYVOBHSA-N 1 2 362.857 2.971 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)Cc2cnn(C)c21 ZINC001232260334 1035531055 /nfs/dbraw/zinc/53/10/55/1035531055.db2.gz VSHUNWSCPMEDQT-CYBMUJFWSA-N 1 2 351.834 2.621 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)Cc2cnn(C)c21 ZINC001232260334 1035531061 /nfs/dbraw/zinc/53/10/61/1035531061.db2.gz VSHUNWSCPMEDQT-CYBMUJFWSA-N 1 2 351.834 2.621 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3C[C@H]4C[C@@H](C3)O4)c2)nc1C ZINC001232453912 1035696476 /nfs/dbraw/zinc/69/64/76/1035696476.db2.gz ORGBOCVDWXQBBJ-GASCZTMLSA-N 1 2 374.462 2.974 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)c2)nc1C ZINC001232453912 1035696480 /nfs/dbraw/zinc/69/64/80/1035696480.db2.gz ORGBOCVDWXQBBJ-GASCZTMLSA-N 1 2 374.462 2.974 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3CCO[C@H]4C[C@H]43)c2)nc1C ZINC001232453379 1035696952 /nfs/dbraw/zinc/69/69/52/1035696952.db2.gz ADRJLYLFBFUZSZ-ZBFHGGJFSA-N 1 2 374.462 2.974 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3CCO[C@H]4C[C@H]43)c2)nc1C ZINC001232453379 1035696957 /nfs/dbraw/zinc/69/69/57/1035696957.db2.gz ADRJLYLFBFUZSZ-ZBFHGGJFSA-N 1 2 374.462 2.974 20 10 FFCDLO Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H]3CCC[N@@H+](C)C3)c1C2=O ZINC001227995378 1035858682 /nfs/dbraw/zinc/85/86/82/1035858682.db2.gz WBFFWKIHODWVIC-ZDUSSCGKSA-N 1 2 367.401 2.655 20 10 FFCDLO Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H]3CCC[N@H+](C)C3)c1C2=O ZINC001227995378 1035858703 /nfs/dbraw/zinc/85/87/03/1035858703.db2.gz WBFFWKIHODWVIC-ZDUSSCGKSA-N 1 2 367.401 2.655 20 10 FFCDLO Cc1c(O)ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c1O ZINC001140744335 1036032247 /nfs/dbraw/zinc/03/22/47/1036032247.db2.gz UHMMYEYDANHVMI-CQSZACIVSA-N 1 2 354.422 2.797 20 10 FFCDLO Cc1c(O)ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c1O ZINC001140744335 1036032268 /nfs/dbraw/zinc/03/22/68/1036032268.db2.gz UHMMYEYDANHVMI-CQSZACIVSA-N 1 2 354.422 2.797 20 10 FFCDLO CC[N@@H+]1CCC[C@@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)C1 ZINC001228517943 1036154265 /nfs/dbraw/zinc/15/42/65/1036154265.db2.gz AYMZCXRXRRTRGP-CQSZACIVSA-N 1 2 373.405 2.603 20 10 FFCDLO CC[N@H+]1CCC[C@@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)C1 ZINC001228517943 1036154278 /nfs/dbraw/zinc/15/42/78/1036154278.db2.gz AYMZCXRXRRTRGP-CQSZACIVSA-N 1 2 373.405 2.603 20 10 FFCDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015432 1036253007 /nfs/dbraw/zinc/25/30/07/1036253007.db2.gz NLDWBQBZYXUEGL-YPMHNXCESA-N 1 2 352.431 2.539 20 10 FFCDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015432 1036253022 /nfs/dbraw/zinc/25/30/22/1036253022.db2.gz NLDWBQBZYXUEGL-YPMHNXCESA-N 1 2 352.431 2.539 20 10 FFCDLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(O)ccc(F)c3F)O2)n1 ZINC001233334045 1036542362 /nfs/dbraw/zinc/54/23/62/1036542362.db2.gz RSRHKVVQRBGWBJ-YUELXQCFSA-N 1 2 351.353 2.856 20 10 FFCDLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c(O)ccc(F)c3F)O2)n1 ZINC001233334045 1036542375 /nfs/dbraw/zinc/54/23/75/1036542375.db2.gz RSRHKVVQRBGWBJ-YUELXQCFSA-N 1 2 351.353 2.856 20 10 FFCDLO CCCCN1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387638 1036677229 /nfs/dbraw/zinc/67/72/29/1036677229.db2.gz NBZHLFBAUFXAED-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO CCCCN1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387638 1036677245 /nfs/dbraw/zinc/67/72/45/1036677245.db2.gz NBZHLFBAUFXAED-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO Cc1cc(O[C@@H]2CCC[N@@H+](C)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001229543343 1036732524 /nfs/dbraw/zinc/73/25/24/1036732524.db2.gz ZEGZMNKJQZYMRE-CYBMUJFWSA-N 1 2 351.402 2.949 20 10 FFCDLO Cc1cc(O[C@@H]2CCC[N@H+](C)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001229543343 1036732538 /nfs/dbraw/zinc/73/25/38/1036732538.db2.gz ZEGZMNKJQZYMRE-CYBMUJFWSA-N 1 2 351.402 2.949 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001235057049 1037329966 /nfs/dbraw/zinc/32/99/66/1037329966.db2.gz LJASIOGYMSKJFW-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1c(F)cc(Br)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001235065009 1037335921 /nfs/dbraw/zinc/33/59/21/1037335921.db2.gz LWSZHZXMLWSFBO-AWEZNQCLSA-N 1 2 373.266 2.590 20 10 FFCDLO CC(=O)N(C)C1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235305705 1037464680 /nfs/dbraw/zinc/46/46/80/1037464680.db2.gz PLELFKDHJADQJT-UHFFFAOYSA-N 1 2 359.239 2.737 20 10 FFCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1cccc(C)c1O ZINC001231592551 1037712504 /nfs/dbraw/zinc/71/25/04/1037712504.db2.gz NTBALINOHPHBNX-GOSISDBHSA-N 1 2 356.470 2.714 20 10 FFCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1cccc(C)c1O ZINC001231592551 1037712514 /nfs/dbraw/zinc/71/25/14/1037712514.db2.gz NTBALINOHPHBNX-GOSISDBHSA-N 1 2 356.470 2.714 20 10 FFCDLO COCCOCN1CC[C@]2(CCC[N@@H+](c3ccc(OC)cc3)CC2)C1=O ZINC001277989049 1038154067 /nfs/dbraw/zinc/15/40/67/1038154067.db2.gz PSPMWVIFAISCPS-HXUWFJFHSA-N 1 2 362.470 2.525 20 10 FFCDLO COCCOCN1CC[C@]2(CCC[N@H+](c3ccc(OC)cc3)CC2)C1=O ZINC001277989049 1038154074 /nfs/dbraw/zinc/15/40/74/1038154074.db2.gz PSPMWVIFAISCPS-HXUWFJFHSA-N 1 2 362.470 2.525 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)cc1OC ZINC001236749784 1038236391 /nfs/dbraw/zinc/23/63/91/1038236391.db2.gz MDWACRCFPOHKCN-UHFFFAOYSA-N 1 2 364.442 2.605 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)cc1OC ZINC001236749784 1038236404 /nfs/dbraw/zinc/23/64/04/1038236404.db2.gz MDWACRCFPOHKCN-UHFFFAOYSA-N 1 2 364.442 2.605 20 10 FFCDLO COc1ccc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c(O)c1Cl ZINC001236808733 1038281433 /nfs/dbraw/zinc/28/14/33/1038281433.db2.gz INZMFICTKJWYBG-UHFFFAOYSA-N 1 2 367.877 2.824 20 10 FFCDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c(O)c1Cl ZINC001236809126 1038284243 /nfs/dbraw/zinc/28/42/43/1038284243.db2.gz JHOUVEYGDACXND-CQSZACIVSA-N 1 2 367.877 2.824 20 10 FFCDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c(O)c1Cl ZINC001236809126 1038284245 /nfs/dbraw/zinc/28/42/45/1038284245.db2.gz JHOUVEYGDACXND-CQSZACIVSA-N 1 2 367.877 2.824 20 10 FFCDLO CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)cc3O)(C1)CCC2 ZINC001278553867 1041128370 /nfs/dbraw/zinc/12/83/70/1041128370.db2.gz GRRUAINMZGUZMS-MOPGFXCFSA-N 1 2 365.905 2.658 20 10 FFCDLO Cc1cc(C[N@@H+]2CCC3(CN(Cc4ccc(Cl)cc4O)C3)C2)n(C)n1 ZINC001278559090 1041156285 /nfs/dbraw/zinc/15/62/85/1041156285.db2.gz PZFGLLQNCDWYLI-UHFFFAOYSA-N 1 2 360.889 2.795 20 10 FFCDLO Cc1cc(C[N@H+]2CCC3(CN(Cc4ccc(Cl)cc4O)C3)C2)n(C)n1 ZINC001278559090 1041156291 /nfs/dbraw/zinc/15/62/91/1041156291.db2.gz PZFGLLQNCDWYLI-UHFFFAOYSA-N 1 2 360.889 2.795 20 10 FFCDLO Cc1cc(CN2CCC3(C[NH+](Cc4ccc(Cl)cc4O)C3)C2)n(C)n1 ZINC001278559090 1041156301 /nfs/dbraw/zinc/15/63/01/1041156301.db2.gz PZFGLLQNCDWYLI-UHFFFAOYSA-N 1 2 360.889 2.795 20 10 FFCDLO Cc1noc(C)c1NC(=O)N1CCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001279197228 1042941596 /nfs/dbraw/zinc/94/15/96/1042941596.db2.gz NSBWNOFIJHMBLN-UHFFFAOYSA-N 1 2 360.389 2.628 20 10 FFCDLO O=C([O-])c1ccc(C[NH+]2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)c(O)c1 ZINC001279260935 1042971555 /nfs/dbraw/zinc/97/15/55/1042971555.db2.gz IEURGDRVFHKREA-UHFFFAOYSA-N 1 2 372.387 2.941 20 10 FFCDLO O=C([O-])c1ccc(C[NH+]2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)c(O)c1 ZINC001279260935 1042971560 /nfs/dbraw/zinc/97/15/60/1042971560.db2.gz IEURGDRVFHKREA-UHFFFAOYSA-N 1 2 372.387 2.941 20 10 FFCDLO O=c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(Cl)c2O)[nH]1 ZINC001279442679 1043118358 /nfs/dbraw/zinc/11/83/58/1043118358.db2.gz SFRNZQRLFFIZGC-IYBDPMFKSA-N 1 2 359.857 2.995 20 10 FFCDLO O=c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(Cl)c2O)[nH]1 ZINC001279442679 1043118371 /nfs/dbraw/zinc/11/83/71/1043118371.db2.gz SFRNZQRLFFIZGC-IYBDPMFKSA-N 1 2 359.857 2.995 20 10 FFCDLO COc1cnc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC001237623635 1043280442 /nfs/dbraw/zinc/28/04/42/1043280442.db2.gz RSRGTXBNVLMSTQ-LBPRGKRZSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1cnc(O[C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC001237623635 1043280449 /nfs/dbraw/zinc/28/04/49/1043280449.db2.gz RSRGTXBNVLMSTQ-LBPRGKRZSA-N 1 2 353.781 2.637 20 10 FFCDLO Cc1[nH+]cc2n1CCN(Cc1cccc(I)c1O)C2 ZINC001237778564 1043353899 /nfs/dbraw/zinc/35/38/99/1043353899.db2.gz YATLXKKLAZGYJY-UHFFFAOYSA-N 1 2 369.206 2.518 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1)C1CCOCC1 ZINC001237802050 1043365509 /nfs/dbraw/zinc/36/55/09/1043365509.db2.gz KMBJPLKYQFMTBE-OAHLLOKOSA-N 1 2 370.852 2.692 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1)C1CCOCC1 ZINC001237802050 1043365521 /nfs/dbraw/zinc/36/55/21/1043365521.db2.gz KMBJPLKYQFMTBE-OAHLLOKOSA-N 1 2 370.852 2.692 20 10 FFCDLO Oc1c(Cl)cc(F)cc1CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001237802023 1043365749 /nfs/dbraw/zinc/36/57/49/1043365749.db2.gz ZFTLYCJOLHIFFT-UHFFFAOYSA-N 1 2 364.852 2.993 20 10 FFCDLO COc1cccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2onc(C)c2C)c1O ZINC001279975796 1044018573 /nfs/dbraw/zinc/01/85/73/1044018573.db2.gz QATMFPPYMIUDQW-KUHUBIRLSA-N 1 2 357.410 2.609 20 10 FFCDLO COc1cccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2onc(C)c2C)c1O ZINC001279975796 1044018586 /nfs/dbraw/zinc/01/85/86/1044018586.db2.gz QATMFPPYMIUDQW-KUHUBIRLSA-N 1 2 357.410 2.609 20 10 FFCDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H]1C ZINC001307492765 1052313368 /nfs/dbraw/zinc/31/33/68/1052313368.db2.gz OTFIMTIBTBFACV-OKILXGFUSA-N 1 2 362.429 2.988 20 10 FFCDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H]1C ZINC001307492765 1052313378 /nfs/dbraw/zinc/31/33/78/1052313378.db2.gz OTFIMTIBTBFACV-OKILXGFUSA-N 1 2 362.429 2.988 20 10 FFCDLO COc1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)ccc1OCCO ZINC001308214580 1052432651 /nfs/dbraw/zinc/43/26/51/1052432651.db2.gz WTBIYOUQBSVDCK-UHFFFAOYSA-N 1 2 355.793 2.854 20 10 FFCDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCc3ccc(N)cc3)CC2)c1 ZINC001337078456 1054463296 /nfs/dbraw/zinc/46/32/96/1054463296.db2.gz JKTDBLFSNLAQSB-INIZCTEOSA-N 1 2 368.481 2.866 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC001461417496 1061313311 /nfs/dbraw/zinc/31/33/11/1061313311.db2.gz KMZFRKTVFZNPHX-CQSZACIVSA-N 1 2 367.218 2.918 20 10 FFCDLO O=C(NCCCn1cc[nH+]c1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894005 1063586655 /nfs/dbraw/zinc/58/66/55/1063586655.db2.gz JRSDRJGKWVUCEG-UHFFFAOYSA-N 1 2 361.409 2.805 20 10 FFCDLO Cc1[nH]c([C@@H]2CCCN2CC(=O)NCc2ccc(N(C)C)cc2)[nH+]c1C ZINC001473790586 1065362771 /nfs/dbraw/zinc/36/27/71/1065362771.db2.gz LGTQIHYSDDPZNJ-SFHVURJKSA-N 1 2 355.486 2.546 20 10 FFCDLO Cc1cccc2nc(C[NH2+]Cc3ccc(N4CCN(C)CC4)c(F)c3)cn21 ZINC001473996951 1065436387 /nfs/dbraw/zinc/43/63/87/1065436387.db2.gz GOFLENOGCWWSGK-UHFFFAOYSA-N 1 2 367.472 2.823 20 10 FFCDLO CCc1cc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)nc(CC)[nH+]1 ZINC001559184806 1076132777 /nfs/dbraw/zinc/13/27/77/1076132777.db2.gz VMOKXVILNSCLKJ-UHFFFAOYSA-N 1 2 367.497 2.882 20 10 FFCDLO Cc1cc(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC001563470716 1076558798 /nfs/dbraw/zinc/55/87/98/1076558798.db2.gz JPQVIISEMKSTOG-MRXNPFEDSA-N 1 2 370.497 2.614 20 10 FFCDLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589981169 1080920186 /nfs/dbraw/zinc/92/01/86/1080920186.db2.gz JYLFNBFDPLSDSZ-GFCCVEGCSA-N 1 2 351.414 2.741 20 10 FFCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 ZINC000052467004 507810275 /nfs/dbraw/zinc/81/02/75/507810275.db2.gz WSHNPMJWPVHEBX-HNNXBMFYSA-N 1 2 358.442 2.531 20 10 FFCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 ZINC000052467004 507810277 /nfs/dbraw/zinc/81/02/77/507810277.db2.gz WSHNPMJWPVHEBX-HNNXBMFYSA-N 1 2 358.442 2.531 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158188728 508669700 /nfs/dbraw/zinc/66/97/00/508669700.db2.gz CNNYZMXDUXWPQB-HXUWFJFHSA-N 1 2 364.449 2.821 20 10 FFCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000184678206 510455939 /nfs/dbraw/zinc/45/59/39/510455939.db2.gz NJQGKYZZNBLOJM-OAHLLOKOSA-N 1 2 364.829 2.928 20 10 FFCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000184678206 510455946 /nfs/dbraw/zinc/45/59/46/510455946.db2.gz NJQGKYZZNBLOJM-OAHLLOKOSA-N 1 2 364.829 2.928 20 10 FFCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184950302 510599416 /nfs/dbraw/zinc/59/94/16/510599416.db2.gz GYUDBJIXGYSBIR-UHFFFAOYSA-N 1 2 351.809 2.706 20 10 FFCDLO OCC1CCN(c2ccc(CNc3cc(N4CCCC4)nc[nH+]3)cc2)CC1 ZINC000277381356 510962362 /nfs/dbraw/zinc/96/23/62/510962362.db2.gz IIAMQCMEBLNXHC-UHFFFAOYSA-N 1 2 367.497 2.898 20 10 FFCDLO OCC1CCN(c2ccc(CNc3cc(N4CCCC4)[nH+]cn3)cc2)CC1 ZINC000277381356 510962365 /nfs/dbraw/zinc/96/23/65/510962365.db2.gz IIAMQCMEBLNXHC-UHFFFAOYSA-N 1 2 367.497 2.898 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)C(=O)Cc1[nH]c[nH+]c1C ZINC000279388337 511065500 /nfs/dbraw/zinc/06/55/00/511065500.db2.gz INNSSQRGXWHGLJ-UHFFFAOYSA-N 1 2 352.232 2.777 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc([C@@H](C)O)s3)CC2)cc1F ZINC000289231306 511095694 /nfs/dbraw/zinc/09/56/94/511095694.db2.gz KEIZHYPBFUHVNV-GFCCVEGCSA-N 1 2 351.447 2.666 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3ccnn3C(C)C)CC2)cc(OC)c1OC ZINC000280015370 511305393 /nfs/dbraw/zinc/30/53/93/511305393.db2.gz UWJSYXFSLBQYCA-UHFFFAOYSA-N 1 2 374.485 2.812 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000295833300 511529874 /nfs/dbraw/zinc/52/98/74/511529874.db2.gz ABLIEYRYYFDPOU-VIFPVBQESA-N 1 2 355.316 2.838 20 10 FFCDLO c1csc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2nnc[nH]2)c1 ZINC000293641663 512036475 /nfs/dbraw/zinc/03/64/75/512036475.db2.gz IBRLCZKXHGRLCB-QGZVFWFLSA-N 1 2 355.467 2.582 20 10 FFCDLO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1=O ZINC000360023053 512064575 /nfs/dbraw/zinc/06/45/75/512064575.db2.gz QVVVKTUVNSFZNF-HWPZZCPQSA-N 1 2 372.252 2.509 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cccc(Cl)c2O)CC1)C1CCOCC1 ZINC000378439296 512759965 /nfs/dbraw/zinc/75/99/65/512759965.db2.gz ODUGKBIGRXIZLQ-UHFFFAOYSA-N 1 2 352.862 2.553 20 10 FFCDLO CC[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc(Cl)c1O ZINC000376902504 513040226 /nfs/dbraw/zinc/04/02/26/513040226.db2.gz JBKBYQVWPKVLTD-KQYVJACZSA-N 1 2 365.861 2.807 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000509409705 515164309 /nfs/dbraw/zinc/16/43/09/515164309.db2.gz CVFZWFYGASTYOA-FQEVSTJZSA-N 1 2 355.482 2.746 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000509409705 515164319 /nfs/dbraw/zinc/16/43/19/515164319.db2.gz CVFZWFYGASTYOA-FQEVSTJZSA-N 1 2 355.482 2.746 20 10 FFCDLO COc1nn(C)cc1C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000898022779 735304269 /nfs/dbraw/zinc/30/42/69/735304269.db2.gz KTMJVWPFLCTGOC-UHFFFAOYSA-N 1 2 360.639 2.840 20 10 FFCDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866815 728426509 /nfs/dbraw/zinc/42/65/09/728426509.db2.gz PQGFLQBNBVMUDS-AWEZNQCLSA-N 1 2 351.466 2.650 20 10 FFCDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000133736634 728727729 /nfs/dbraw/zinc/72/77/29/728727729.db2.gz MEYLXFHCJQSHKT-OAHLLOKOSA-N 1 2 365.905 2.564 20 10 FFCDLO O=C(NCCCSc1nccs1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000151582913 728746023 /nfs/dbraw/zinc/74/60/23/728746023.db2.gz DHFCKFDLVDHRKK-ZDUSSCGKSA-N 1 2 363.512 2.598 20 10 FFCDLO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756682949 736352038 /nfs/dbraw/zinc/35/20/38/736352038.db2.gz BWGKYDILJFINJP-LLVKDONJSA-N 1 2 350.365 2.760 20 10 FFCDLO NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000857067424 730377153 /nfs/dbraw/zinc/37/71/53/730377153.db2.gz LMUIYMZIRKQFDT-UHFFFAOYSA-N 1 2 363.820 2.606 20 10 FFCDLO Oc1cccc(Br)c1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000858103801 730416644 /nfs/dbraw/zinc/41/66/44/730416644.db2.gz RDUJYWXNSJYSBG-UHFFFAOYSA-N 1 2 364.243 2.998 20 10 FFCDLO CN(C)c1cc(F)c(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1F ZINC000862245264 730681068 /nfs/dbraw/zinc/68/10/68/730681068.db2.gz LMPCRLIICDYAQA-ZDUSSCGKSA-N 1 2 365.346 2.626 20 10 FFCDLO CN(C)c1cc(F)c(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1F ZINC000862245264 730681069 /nfs/dbraw/zinc/68/10/69/730681069.db2.gz LMPCRLIICDYAQA-ZDUSSCGKSA-N 1 2 365.346 2.626 20 10 FFCDLO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876684474 732268618 /nfs/dbraw/zinc/26/86/18/732268618.db2.gz OIYDGMRVXUVNHQ-UHFFFAOYSA-N 1 2 350.365 2.966 20 10 FFCDLO CC[NH+]1CCN(c2ccc(CNCc3ccc(Cl)nn3)cc2F)CC1 ZINC000877011704 732311601 /nfs/dbraw/zinc/31/16/01/732311601.db2.gz HINKZLXEVNCERZ-UHFFFAOYSA-N 1 2 363.868 2.701 20 10 FFCDLO CC1(C)OC[C@@H]([C@@H]2C[N@H+](Cc3cc(Br)ccc3O)CCO2)O1 ZINC000877784848 732430308 /nfs/dbraw/zinc/43/03/08/732430308.db2.gz NEOLENPNDMHICY-GJZGRUSLSA-N 1 2 372.259 2.507 20 10 FFCDLO CC1(C)OC[C@@H]([C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCO2)O1 ZINC000877784848 732430311 /nfs/dbraw/zinc/43/03/11/732430311.db2.gz NEOLENPNDMHICY-GJZGRUSLSA-N 1 2 372.259 2.507 20 10 FFCDLO O=C1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C[C@@H]2CCCCN12 ZINC000883140608 733341090 /nfs/dbraw/zinc/34/10/90/733341090.db2.gz ZEERPPHYEUCLSO-AAEUAGOBSA-N 1 2 357.223 2.537 20 10 FFCDLO CC(C)c1c[nH]c(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000883144055 733341660 /nfs/dbraw/zinc/34/16/60/733341660.db2.gz CUBBEGIXRJBKCV-UHFFFAOYSA-N 1 2 350.413 2.938 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2cccc(Cl)c2O)cc1 ZINC000890761025 734336643 /nfs/dbraw/zinc/33/66/43/734336643.db2.gz IQTZKJZLYMJPNU-QGZVFWFLSA-N 1 2 360.841 2.945 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2cccc(Cl)c2O)cc1 ZINC000890761025 734336644 /nfs/dbraw/zinc/33/66/44/734336644.db2.gz IQTZKJZLYMJPNU-QGZVFWFLSA-N 1 2 360.841 2.945 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000720426005 734378927 /nfs/dbraw/zinc/37/89/27/734378927.db2.gz VSODKSLELBYYOR-KBPBESRZSA-N 1 2 357.317 2.824 20 10 FFCDLO O=C1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3O)CC[C@@H]2N1 ZINC000895258127 734982369 /nfs/dbraw/zinc/98/23/69/734982369.db2.gz BPENHWJONXLBNX-RNCFNFMXSA-N 1 2 373.678 2.909 20 10 FFCDLO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)CC[C@@H]2N1 ZINC000895258127 734982374 /nfs/dbraw/zinc/98/23/74/734982374.db2.gz BPENHWJONXLBNX-RNCFNFMXSA-N 1 2 373.678 2.909 20 10 FFCDLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000788270273 739226109 /nfs/dbraw/zinc/22/61/09/739226109.db2.gz QTAHOWZKDSDAGT-XVKPBYJWSA-N 1 2 365.065 2.872 20 10 FFCDLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000788270273 739226111 /nfs/dbraw/zinc/22/61/11/739226111.db2.gz QTAHOWZKDSDAGT-XVKPBYJWSA-N 1 2 365.065 2.872 20 10 FFCDLO CCCN(CCC)C(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000753857758 736101627 /nfs/dbraw/zinc/10/16/27/736101627.db2.gz PYCHYIHXCYOZHL-UHFFFAOYSA-N 1 2 351.466 2.605 20 10 FFCDLO C[C@@H]([NH2+]CCCN1CCOCC1)c1cc(Br)c(F)cc1O ZINC000756342735 736323956 /nfs/dbraw/zinc/32/39/56/736323956.db2.gz KXMJAGJDGUMWGV-LLVKDONJSA-N 1 2 361.255 2.667 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+](C)Cc2nnc3n2CCC3)c1O ZINC000775645039 738108832 /nfs/dbraw/zinc/10/88/32/738108832.db2.gz BVDWNGLCZJMXSJ-UHFFFAOYSA-N 1 2 351.248 2.633 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+](C)Cc2nnc3n2CCC3)c1O ZINC000775645039 738108834 /nfs/dbraw/zinc/10/88/34/738108834.db2.gz BVDWNGLCZJMXSJ-UHFFFAOYSA-N 1 2 351.248 2.633 20 10 FFCDLO C[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(N(C)C)cc1 ZINC000775832753 738129965 /nfs/dbraw/zinc/12/99/65/738129965.db2.gz BLGCMTGMHWFBRR-LBPRGKRZSA-N 1 2 353.513 2.605 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1 ZINC000775997712 738150762 /nfs/dbraw/zinc/15/07/62/738150762.db2.gz XYNLAKYBDWGXRK-UHFFFAOYSA-N 1 2 350.216 2.517 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c1 ZINC000775997712 738150769 /nfs/dbraw/zinc/15/07/69/738150769.db2.gz XYNLAKYBDWGXRK-UHFFFAOYSA-N 1 2 350.216 2.517 20 10 FFCDLO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776174452 738168076 /nfs/dbraw/zinc/16/80/76/738168076.db2.gz PAGMCAALJNZVNX-CYBMUJFWSA-N 1 2 363.820 2.652 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CC2(CCOCC2)O1 ZINC000790929755 739515218 /nfs/dbraw/zinc/51/52/18/739515218.db2.gz BFILJJFVMUQXGX-GFCCVEGCSA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CC2(CCOCC2)O1 ZINC000790929755 739515221 /nfs/dbraw/zinc/51/52/21/739515221.db2.gz BFILJJFVMUQXGX-GFCCVEGCSA-N 1 2 356.260 2.925 20 10 FFCDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(F)cc(C(C)=O)c1O ZINC000796603330 740160558 /nfs/dbraw/zinc/16/05/58/740160558.db2.gz QNYWCEOHVBXSMI-UHFFFAOYSA-N 1 2 350.434 2.958 20 10 FFCDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(F)cc(C(C)=O)c1O ZINC000796603330 740160562 /nfs/dbraw/zinc/16/05/62/740160562.db2.gz QNYWCEOHVBXSMI-UHFFFAOYSA-N 1 2 350.434 2.958 20 10 FFCDLO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)cc(F)c1O ZINC000799727263 740445563 /nfs/dbraw/zinc/44/55/63/740445563.db2.gz BKKBAZLQMZDRGI-RLBGWGEZSA-N 1 2 350.253 2.856 20 10 FFCDLO OC1(c2ccc(Cl)cc2)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000811508950 741531307 /nfs/dbraw/zinc/53/13/07/741531307.db2.gz FZSFXTMYUGRPCR-UHFFFAOYSA-N 1 2 358.869 2.880 20 10 FFCDLO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816530384 742038818 /nfs/dbraw/zinc/03/88/18/742038818.db2.gz GJENDQAUJUNIKJ-UHFFFAOYSA-N 1 2 369.824 2.529 20 10 FFCDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)s1 ZINC000823456173 742915876 /nfs/dbraw/zinc/91/58/76/742915876.db2.gz PZHXYYRIAZAFAK-MRVPVSSYSA-N 1 2 352.387 2.828 20 10 FFCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@](C)(C(F)F)O1 ZINC000827962785 745008023 /nfs/dbraw/zinc/00/80/23/745008023.db2.gz SNSYBMLNLZTDGU-SCLBCKFNSA-N 1 2 358.404 2.907 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@](C)(C(F)F)O1 ZINC000827962785 745008028 /nfs/dbraw/zinc/00/80/28/745008028.db2.gz SNSYBMLNLZTDGU-SCLBCKFNSA-N 1 2 358.404 2.907 20 10 FFCDLO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2ccccc2S(N)(=O)=O)cc1 ZINC000835055667 745940811 /nfs/dbraw/zinc/94/08/11/745940811.db2.gz NMNHERNMZIGWPX-VOTSOKGWSA-N 1 2 359.495 2.545 20 10 FFCDLO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)cc1 ZINC000835055667 745940817 /nfs/dbraw/zinc/94/08/17/745940817.db2.gz NMNHERNMZIGWPX-VOTSOKGWSA-N 1 2 359.495 2.545 20 10 FFCDLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000840826665 747193851 /nfs/dbraw/zinc/19/38/51/747193851.db2.gz RNQYOAKYZZKTSO-CQFDHEJISA-N 1 2 350.640 2.873 20 10 FFCDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433183 747836572 /nfs/dbraw/zinc/83/65/72/747836572.db2.gz WAJQZYJFRJTUHE-CYBMUJFWSA-N 1 2 354.731 2.685 20 10 FFCDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843433183 747836579 /nfs/dbraw/zinc/83/65/79/747836579.db2.gz WAJQZYJFRJTUHE-CYBMUJFWSA-N 1 2 354.731 2.685 20 10 FFCDLO COCc1n[nH]c(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)n1 ZINC000850361089 749352075 /nfs/dbraw/zinc/35/20/75/749352075.db2.gz UFGLEOAKCGLHSW-UHFFFAOYSA-N 1 2 357.483 2.939 20 10 FFCDLO COC[C@H](CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)OC ZINC000850485634 749372335 /nfs/dbraw/zinc/37/23/35/749372335.db2.gz MFHNZLGRYBWHFF-UWVGGRQHSA-N 1 2 350.228 2.996 20 10 FFCDLO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(F)c(F)cc2O)n(C)n1 ZINC001279108011 963390451 /nfs/dbraw/zinc/39/04/51/963390451.db2.gz QWTCPJUNWQPACJ-GASCZTMLSA-N 1 2 362.424 2.561 20 10 FFCDLO COc1ccc(N2CC[NH+](C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)c(OC)c1 ZINC001175525153 1013499175 /nfs/dbraw/zinc/49/91/75/1013499175.db2.gz ZFSKCRCYIPRJMY-YOEHRIQHSA-N 1 2 374.403 2.936 20 10 FFCDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1Cc1ccon1 ZINC001087844289 970554696 /nfs/dbraw/zinc/55/46/96/970554696.db2.gz QVKMWGUCIIPZIY-JKSUJKDBSA-N 1 2 370.413 2.620 20 10 FFCDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1Cc1ccon1 ZINC001087844289 970554705 /nfs/dbraw/zinc/55/47/05/970554705.db2.gz QVKMWGUCIIPZIY-JKSUJKDBSA-N 1 2 370.413 2.620 20 10 FFCDLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1Cc2cccc(O)c2C1 ZINC000876037645 1014115671 /nfs/dbraw/zinc/11/56/71/1014115671.db2.gz MFXIQDYVBQPWLE-UHFFFAOYSA-N 1 2 370.478 2.566 20 10 FFCDLO OC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1c(F)cccc1F ZINC000877036825 1014458704 /nfs/dbraw/zinc/45/87/04/1014458704.db2.gz WMYZIEKKLKHHLG-LJQANCHMSA-N 1 2 362.420 2.749 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cc1 ZINC000057548517 984503668 /nfs/dbraw/zinc/50/36/68/984503668.db2.gz VZONHJXAQHUYFD-MBOZVWFJSA-N 1 2 359.514 2.758 20 10 FFCDLO CN(Cc1ccc(N2CCCCC2)cc1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000764762627 984703686 /nfs/dbraw/zinc/70/36/86/984703686.db2.gz JNOJEQKHKGOPMX-UHFFFAOYSA-N 1 2 367.497 2.940 20 10 FFCDLO CN(Cc1ccc(N2CCCCC2)cc1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000764762627 984703690 /nfs/dbraw/zinc/70/36/90/984703690.db2.gz JNOJEQKHKGOPMX-UHFFFAOYSA-N 1 2 367.497 2.940 20 10 FFCDLO COc1ccc(O)c(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000172072598 985454757 /nfs/dbraw/zinc/45/47/57/985454757.db2.gz SONWOTFSNCLPAW-UHFFFAOYSA-N 1 2 352.394 2.586 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000916984570 990085822 /nfs/dbraw/zinc/08/58/22/990085822.db2.gz IRBTWMGSEKTSNY-YLJYHZDGSA-N 1 2 359.514 2.854 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000730227352 996994109 /nfs/dbraw/zinc/99/41/09/996994109.db2.gz CMKVDGDIPHLVAI-KRWDZBQOSA-N 1 2 368.525 2.768 20 10 FFCDLO O=C1NCCC2(CC[NH+](Cc3cc(Br)c(F)cc3O)CC2)O1 ZINC001144308067 998305029 /nfs/dbraw/zinc/30/50/29/998305029.db2.gz NBGNORGTGLJECB-UHFFFAOYSA-N 1 2 373.222 2.758 20 10 FFCDLO COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000740750599 999682785 /nfs/dbraw/zinc/68/27/85/999682785.db2.gz JWMIKONVSWWHLY-OAHLLOKOSA-N 1 2 370.449 2.724 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000741773169 999741287 /nfs/dbraw/zinc/74/12/87/999741287.db2.gz PTRMOLJUBRHYSY-OAQYLSRUSA-N 1 2 365.477 2.931 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+]3CCCOCC3)c2C)cc1 ZINC000746386495 999985216 /nfs/dbraw/zinc/98/52/16/999985216.db2.gz QUTDHYKLCIYNSM-UHFFFAOYSA-N 1 2 370.449 2.786 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+]3CCCOCC3)c2C)cc1 ZINC000746386495 999985217 /nfs/dbraw/zinc/98/52/17/999985217.db2.gz QUTDHYKLCIYNSM-UHFFFAOYSA-N 1 2 370.449 2.786 20 10 FFCDLO COCCN1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC1=O ZINC000768467780 1000265130 /nfs/dbraw/zinc/26/51/30/1000265130.db2.gz IGHOLZXBEQYKGD-UHFFFAOYSA-N 1 2 354.406 2.582 20 10 FFCDLO COCCN1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC1=O ZINC000768467780 1000265135 /nfs/dbraw/zinc/26/51/35/1000265135.db2.gz IGHOLZXBEQYKGD-UHFFFAOYSA-N 1 2 354.406 2.582 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770628814 1000866937 /nfs/dbraw/zinc/86/69/37/1000866937.db2.gz FPRAVHTVTLYNBB-QGZVFWFLSA-N 1 2 355.486 2.884 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N(C)C[C@@H]3CC3(C)C)cc12 ZINC001184359345 1002568145 /nfs/dbraw/zinc/56/81/45/1002568145.db2.gz NQNWJVRNCRZOSE-HNNXBMFYSA-N 1 2 372.465 2.743 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N(C)C[C@@H]3CC3(C)C)cc12 ZINC001184359345 1002568152 /nfs/dbraw/zinc/56/81/52/1002568152.db2.gz NQNWJVRNCRZOSE-HNNXBMFYSA-N 1 2 372.465 2.743 20 10 FFCDLO COc1c(O)c(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774814513 1002792239 /nfs/dbraw/zinc/79/22/39/1002792239.db2.gz LTOKIGZXFLIMFV-QGZVFWFLSA-N 1 2 357.410 2.798 20 10 FFCDLO COc1c(O)c(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774814513 1002792249 /nfs/dbraw/zinc/79/22/49/1002792249.db2.gz LTOKIGZXFLIMFV-QGZVFWFLSA-N 1 2 357.410 2.798 20 10 FFCDLO CCCCNc1cc(N2CCN(c3ccc(OC)c(F)c3)CC2)nc(N)[nH+]1 ZINC000804540135 1003724439 /nfs/dbraw/zinc/72/44/39/1003724439.db2.gz RGQLXCITSWNEEO-UHFFFAOYSA-N 1 2 374.464 2.745 20 10 FFCDLO CCCCNc1cc(N2CCN(c3ccc(OC)c(F)c3)CC2)[nH+]c(N)n1 ZINC000804540135 1003724442 /nfs/dbraw/zinc/72/44/42/1003724442.db2.gz RGQLXCITSWNEEO-UHFFFAOYSA-N 1 2 374.464 2.745 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c(C)n1-c1ccccc1 ZINC000852432920 1006021658 /nfs/dbraw/zinc/02/16/58/1006021658.db2.gz QOWHVETUFPMGRD-SFHVURJKSA-N 1 2 367.449 2.803 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](N3CCOC3=O)C2)c(C)n1-c1ccccc1 ZINC000852432920 1006021669 /nfs/dbraw/zinc/02/16/69/1006021669.db2.gz QOWHVETUFPMGRD-SFHVURJKSA-N 1 2 367.449 2.803 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000853342530 1006370708 /nfs/dbraw/zinc/37/07/08/1006370708.db2.gz LXMPLLZGFQIKCL-UHFFFAOYSA-N 1 2 355.486 2.814 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000853342530 1006370719 /nfs/dbraw/zinc/37/07/19/1006370719.db2.gz LXMPLLZGFQIKCL-UHFFFAOYSA-N 1 2 355.486 2.814 20 10 FFCDLO C[NH+]1CCN(C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])c2ccccc2)CC1 ZINC000882968558 1006581127 /nfs/dbraw/zinc/58/11/27/1006581127.db2.gz RRGRLMIXUDQCMC-IBGZPJMESA-N 1 2 361.436 2.749 20 10 FFCDLO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883038768 1006610835 /nfs/dbraw/zinc/61/08/35/1006610835.db2.gz RZJYGAFAVPOVPI-QGZVFWFLSA-N 1 2 360.404 2.994 20 10 FFCDLO COC(=O)N1CCN(c2ccc(N[C@H](C)c3cc(F)ccc3O)c[nH+]2)CC1 ZINC000815655289 1006727397 /nfs/dbraw/zinc/72/73/97/1006727397.db2.gz NRKPAGPJCBTOFJ-CYBMUJFWSA-N 1 2 374.416 2.988 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)cc1Br ZINC001206243728 1032197659 /nfs/dbraw/zinc/19/76/59/1032197659.db2.gz FVJIIWHDSIFQRT-GFCCVEGCSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)cc1Br ZINC001206243728 1032197664 /nfs/dbraw/zinc/19/76/64/1032197664.db2.gz FVJIIWHDSIFQRT-GFCCVEGCSA-N 1 2 369.181 2.629 20 10 FFCDLO Cc1ccc(O)c(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000858099177 1008301444 /nfs/dbraw/zinc/30/14/44/1008301444.db2.gz KVGDOMOFQPDLQC-UHFFFAOYSA-N 1 2 369.465 2.532 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCc2[nH]cc[nH+]2)ccc1C ZINC000859320302 1008501262 /nfs/dbraw/zinc/50/12/62/1008501262.db2.gz XOUMMVACOCTKQM-UHFFFAOYSA-N 1 2 350.422 2.911 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(C)[nH+]c3N(C)C)C2)cc1 ZINC000822077426 1008516164 /nfs/dbraw/zinc/51/61/64/1008516164.db2.gz CEKGVOGZBGPSAP-OAHLLOKOSA-N 1 2 369.469 2.865 20 10 FFCDLO O=C(C[NH2+]Cc1cc(Cl)cc(Br)c1O)NCc1ccco1 ZINC001177315130 1008559116 /nfs/dbraw/zinc/55/91/16/1008559116.db2.gz KWPSDUPWYDJEMY-UHFFFAOYSA-N 1 2 373.634 2.807 20 10 FFCDLO CCc1cccnc1-c1noc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC001217056921 1032598993 /nfs/dbraw/zinc/59/89/93/1032598993.db2.gz XGOCZTQEOZKPSP-UHFFFAOYSA-N 1 2 366.421 2.899 20 10 FFCDLO COc1ccc(Cc2nnc(C[NH2+]Cc3ccc(OC)cc3O)o2)cc1 ZINC001217718535 1032848996 /nfs/dbraw/zinc/84/89/96/1032848996.db2.gz NDSUZMUUYPSCRY-UHFFFAOYSA-N 1 2 355.394 2.673 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N([C@@H](C)C3CC3)C3CC3)CC2)cc1 ZINC000079808938 1024375978 /nfs/dbraw/zinc/37/59/78/1024375978.db2.gz DBTKPHJPNLVQDM-INIZCTEOSA-N 1 2 357.498 2.607 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000195535678 1025030929 /nfs/dbraw/zinc/03/09/29/1025030929.db2.gz VZONHJXAQHUYFD-ABSDTBQOSA-N 1 2 359.514 2.758 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000839171253 1026610792 /nfs/dbraw/zinc/61/07/92/1026610792.db2.gz BYOZMEANUPEZPS-WIYYLYMNSA-N 1 2 370.493 2.685 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000839171253 1026610796 /nfs/dbraw/zinc/61/07/96/1026610796.db2.gz BYOZMEANUPEZPS-WIYYLYMNSA-N 1 2 370.493 2.685 20 10 FFCDLO OCC1CCN(c2ccc(CNc3cc(NC4CC4)[nH+]cn3)cc2)CC1 ZINC000840246947 1027017978 /nfs/dbraw/zinc/01/79/78/1027017978.db2.gz TXEYUPUEKKRQNL-UHFFFAOYSA-N 1 2 353.470 2.872 20 10 FFCDLO OCC1CCN(c2ccc(CNc3cc(NC4CC4)nc[nH+]3)cc2)CC1 ZINC000840246947 1027017986 /nfs/dbraw/zinc/01/79/86/1027017986.db2.gz TXEYUPUEKKRQNL-UHFFFAOYSA-N 1 2 353.470 2.872 20 10 FFCDLO Oc1c(CNc2cc(N3CCOCC3)nc[nH+]2)cc(Cl)c2cccnc12 ZINC001157723961 1029652208 /nfs/dbraw/zinc/65/22/08/1029652208.db2.gz GTZUUZDNIQURHX-UHFFFAOYSA-N 1 2 371.828 2.833 20 10 FFCDLO Oc1c(CNc2cc(N3CCOCC3)[nH+]cn2)cc(Cl)c2cccnc12 ZINC001157723961 1029652210 /nfs/dbraw/zinc/65/22/10/1029652210.db2.gz GTZUUZDNIQURHX-UHFFFAOYSA-N 1 2 371.828 2.833 20 10 FFCDLO Nc1ccc(CCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000841675968 1030394794 /nfs/dbraw/zinc/39/47/94/1030394794.db2.gz KKVMUEJTRXAVHZ-UHFFFAOYSA-N 1 2 353.470 2.696 20 10 FFCDLO Oc1ccc(Cl)cc1C[NH+]1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001203664545 1030811317 /nfs/dbraw/zinc/81/13/17/1030811317.db2.gz JXYLDDBZCMGXQG-UHFFFAOYSA-N 1 2 373.888 2.758 20 10 FFCDLO [NH3+]Cc1ccccc1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218920639 1033409849 /nfs/dbraw/zinc/40/98/49/1033409849.db2.gz YQGZKZYWJHZAFQ-UHFFFAOYSA-N 1 2 372.380 2.879 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001138125334 1033803623 /nfs/dbraw/zinc/80/36/23/1033803623.db2.gz OHILDZIXYMSVFL-OAHLLOKOSA-N 1 2 368.412 2.834 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001138125334 1033803633 /nfs/dbraw/zinc/80/36/33/1033803633.db2.gz OHILDZIXYMSVFL-OAHLLOKOSA-N 1 2 368.412 2.834 20 10 FFCDLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129464 1034958595 /nfs/dbraw/zinc/95/85/95/1034958595.db2.gz AJQSOHDNKZERNY-CQSZACIVSA-N 1 2 359.422 2.972 20 10 FFCDLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129464 1034958599 /nfs/dbraw/zinc/95/85/99/1034958599.db2.gz AJQSOHDNKZERNY-CQSZACIVSA-N 1 2 359.422 2.972 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(Oc2ccncn2)CC1 ZINC001139133220 1034962312 /nfs/dbraw/zinc/96/23/12/1034962312.db2.gz FSFWEAJMZHTFLQ-UHFFFAOYSA-N 1 2 367.405 2.640 20 10 FFCDLO CN(C)c1ccc(/C=C/C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000835025367 1035489013 /nfs/dbraw/zinc/48/90/13/1035489013.db2.gz IOLQGQAYFGQZAC-AATRIKPKSA-N 1 2 365.477 2.929 20 10 FFCDLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(O)cc(F)cc3F)O2)n1 ZINC001140581701 1035662434 /nfs/dbraw/zinc/66/24/34/1035662434.db2.gz YAUAGUFXHYLAMT-FVQBIDKESA-N 1 2 351.353 2.856 20 10 FFCDLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c(O)cc(F)cc3F)O2)n1 ZINC001140581701 1035662439 /nfs/dbraw/zinc/66/24/39/1035662439.db2.gz YAUAGUFXHYLAMT-FVQBIDKESA-N 1 2 351.353 2.856 20 10 FFCDLO Oc1cc(Br)cc(F)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001233030879 1036271264 /nfs/dbraw/zinc/27/12/64/1036271264.db2.gz QQBSMGVTPNNIJP-ZDUSSCGKSA-N 1 2 373.266 2.590 20 10 FFCDLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(F)c(F)c3O)O2)n1 ZINC001233074491 1036321024 /nfs/dbraw/zinc/32/10/24/1036321024.db2.gz JINOMOLHAPEOEN-MGPQQGTHSA-N 1 2 351.353 2.856 20 10 FFCDLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(F)c(F)c3O)O2)n1 ZINC001233074491 1036321038 /nfs/dbraw/zinc/32/10/38/1036321038.db2.gz JINOMOLHAPEOEN-MGPQQGTHSA-N 1 2 351.353 2.856 20 10 FFCDLO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)c(F)c3O)CC2)C1 ZINC001233078863 1036326002 /nfs/dbraw/zinc/32/60/02/1036326002.db2.gz MCQDTXSZHNMYEL-CQSZACIVSA-N 1 2 368.424 2.520 20 10 FFCDLO COC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(F)c(F)c3O)CC2)C1 ZINC001233078863 1036326020 /nfs/dbraw/zinc/32/60/20/1036326020.db2.gz MCQDTXSZHNMYEL-CQSZACIVSA-N 1 2 368.424 2.520 20 10 FFCDLO CC(=O)N1CCC2(CC1)C[N@H+](Cc1cccc(C(F)(F)F)c1O)CCO2 ZINC001233417518 1036611083 /nfs/dbraw/zinc/61/10/83/1036611083.db2.gz XEYCYFNCMJTTGZ-UHFFFAOYSA-N 1 2 372.387 2.624 20 10 FFCDLO CC(=O)N1CCC2(CC1)C[N@@H+](Cc1cccc(C(F)(F)F)c1O)CCO2 ZINC001233417518 1036611085 /nfs/dbraw/zinc/61/10/85/1036611085.db2.gz XEYCYFNCMJTTGZ-UHFFFAOYSA-N 1 2 372.387 2.624 20 10 FFCDLO COc1c(C)c(O[C@@H]2CC[N@H+](C)C2)cc2c1C(=O)c1ccccc1C2=O ZINC001229457066 1036685753 /nfs/dbraw/zinc/68/57/53/1036685753.db2.gz VRAKJVIRPYXTBC-CYBMUJFWSA-N 1 2 351.402 2.862 20 10 FFCDLO COc1c(C)c(O[C@@H]2CC[N@@H+](C)C2)cc2c1C(=O)c1ccccc1C2=O ZINC001229457066 1036685760 /nfs/dbraw/zinc/68/57/60/1036685760.db2.gz VRAKJVIRPYXTBC-CYBMUJFWSA-N 1 2 351.402 2.862 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c(OC)c1 ZINC001141027125 1036760157 /nfs/dbraw/zinc/76/01/57/1036760157.db2.gz ODMUZKHVGNZUOG-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c(OC)c1 ZINC001141032560 1036778630 /nfs/dbraw/zinc/77/86/30/1036778630.db2.gz GRMNNEQSEIVTEI-OAHLLOKOSA-N 1 2 370.449 2.756 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c(OC)c1 ZINC001141032560 1036778633 /nfs/dbraw/zinc/77/86/33/1036778633.db2.gz GRMNNEQSEIVTEI-OAHLLOKOSA-N 1 2 370.449 2.756 20 10 FFCDLO COc1ccc2ccc(O)c(C[N@@H+]3CCN(c4ccccn4)C(=O)C3)c2c1 ZINC001234569001 1037093844 /nfs/dbraw/zinc/09/38/44/1037093844.db2.gz IKCKFNOTQSZJRT-UHFFFAOYSA-N 1 2 363.417 2.798 20 10 FFCDLO COc1ccc2ccc(O)c(C[N@H+]3CCN(c4ccccn4)C(=O)C3)c2c1 ZINC001234569001 1037093854 /nfs/dbraw/zinc/09/38/54/1037093854.db2.gz IKCKFNOTQSZJRT-UHFFFAOYSA-N 1 2 363.417 2.798 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001235056790 1037329911 /nfs/dbraw/zinc/32/99/11/1037329911.db2.gz FWIWABXEBPRVCO-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO O=C1CCC2(CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)O1 ZINC001235067968 1037340644 /nfs/dbraw/zinc/34/06/44/1037340644.db2.gz BBDGEEFOKBSEIL-UHFFFAOYSA-N 1 2 358.207 2.965 20 10 FFCDLO O=C1CCC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)N1 ZINC001235297835 1037459404 /nfs/dbraw/zinc/45/94/04/1037459404.db2.gz KYZWGVADGZBZGO-INIZCTEOSA-N 1 2 371.250 2.929 20 10 FFCDLO O=C1CCC[C@@]2(CCC[N@H+](Cc3cc(F)cc(Br)c3O)C2)N1 ZINC001235297835 1037459412 /nfs/dbraw/zinc/45/94/12/1037459412.db2.gz KYZWGVADGZBZGO-INIZCTEOSA-N 1 2 371.250 2.929 20 10 FFCDLO O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001231343784 1037541327 /nfs/dbraw/zinc/54/13/27/1037541327.db2.gz FMCGLVTXJMXXRU-CQSZACIVSA-N 1 2 366.373 2.625 20 10 FFCDLO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4O)C[C@@H]32)N=C1C ZINC001231911716 1038007029 /nfs/dbraw/zinc/00/70/29/1038007029.db2.gz PEQQDDDDYGOQFE-FRIZHTMISA-N 1 2 361.873 2.907 20 10 FFCDLO CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4O)C[C@@H]32)N=C1C ZINC001231911716 1038007049 /nfs/dbraw/zinc/00/70/49/1038007049.db2.gz PEQQDDDDYGOQFE-FRIZHTMISA-N 1 2 361.873 2.907 20 10 FFCDLO CS(=O)(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911833 1038007934 /nfs/dbraw/zinc/00/79/34/1038007934.db2.gz QVKAUCLMAULZOD-KRWDZBQOSA-N 1 2 372.918 2.826 20 10 FFCDLO COc1ccc(N2CCCC[C@@]23CC(=O)N(Cc2c[nH+]cn2C)C3)cc1 ZINC001277990608 1038161696 /nfs/dbraw/zinc/16/16/96/1038161696.db2.gz PHYCLSHRRCRSMI-FQEVSTJZSA-N 1 2 354.454 2.590 20 10 FFCDLO COc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3O)CC2)cc1 ZINC001236755339 1038242033 /nfs/dbraw/zinc/24/20/33/1038242033.db2.gz ATMOWEGBRZIOSE-UHFFFAOYSA-N 1 2 372.465 2.736 20 10 FFCDLO CC(C)(C)N1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1=O ZINC001237058834 1038427363 /nfs/dbraw/zinc/42/73/63/1038427363.db2.gz LFFGTURBDPYKSH-UHFFFAOYSA-N 1 2 360.376 2.776 20 10 FFCDLO CC(C)(C)N1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1=O ZINC001237058834 1038427365 /nfs/dbraw/zinc/42/73/65/1038427365.db2.gz LFFGTURBDPYKSH-UHFFFAOYSA-N 1 2 360.376 2.776 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237122118 1038449089 /nfs/dbraw/zinc/44/90/89/1038449089.db2.gz SEQVYDWSXPKLTO-MNOVXSKESA-N 1 2 374.840 2.645 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237122115 1038449564 /nfs/dbraw/zinc/44/95/64/1038449564.db2.gz SEQVYDWSXPKLTO-GHMZBOCLSA-N 1 2 374.840 2.645 20 10 FFCDLO COc1cc(I)cc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c1O ZINC001248391062 1040252654 /nfs/dbraw/zinc/25/26/54/1040252654.db2.gz LKCKLBGUMSOCLL-SCZZXKLOSA-N 1 2 365.186 2.938 20 10 FFCDLO COc1cc(I)cc(C[N@H+]2C[C@@H](F)C[C@H]2C)c1O ZINC001248391062 1040252671 /nfs/dbraw/zinc/25/26/71/1040252671.db2.gz LKCKLBGUMSOCLL-SCZZXKLOSA-N 1 2 365.186 2.938 20 10 FFCDLO CN(C)C(=O)CN1CC[NH+](Cc2cc(Cl)c(C(C)(C)C)cc2O)CC1 ZINC001248883901 1040493337 /nfs/dbraw/zinc/49/33/37/1040493337.db2.gz RKKUARBUDVGHEX-UHFFFAOYSA-N 1 2 367.921 2.549 20 10 FFCDLO O=C(Nc1cccnc1)N1CC2(C1)C[NH+](Cc1cccc(Cl)c1O)C2 ZINC001279441498 1043115799 /nfs/dbraw/zinc/11/57/99/1043115799.db2.gz PZRALMYQFKSERV-UHFFFAOYSA-N 1 2 358.829 2.790 20 10 FFCDLO COc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)c1O ZINC001279474942 1043156713 /nfs/dbraw/zinc/15/67/13/1043156713.db2.gz RSWQJLDZIFTALG-IYBDPMFKSA-N 1 2 362.861 2.626 20 10 FFCDLO COc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)c1O ZINC001279474942 1043156717 /nfs/dbraw/zinc/15/67/17/1043156717.db2.gz RSWQJLDZIFTALG-IYBDPMFKSA-N 1 2 362.861 2.626 20 10 FFCDLO COc1cc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c(O)c(OC)c1 ZINC001237675196 1043302756 /nfs/dbraw/zinc/30/27/56/1043302756.db2.gz BNONEINXNYKQAV-UHFFFAOYSA-N 1 2 371.437 2.759 20 10 FFCDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001279683864 1043464424 /nfs/dbraw/zinc/46/44/24/1043464424.db2.gz KMHYWUOQGCHREM-KBPBESRZSA-N 1 2 355.841 2.951 20 10 FFCDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001279683864 1043464429 /nfs/dbraw/zinc/46/44/29/1043464429.db2.gz KMHYWUOQGCHREM-KBPBESRZSA-N 1 2 355.841 2.951 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCc3onc(C(=O)NC(C)(C)C)c3C2)cc1 ZINC001279743422 1043572233 /nfs/dbraw/zinc/57/22/33/1043572233.db2.gz KBYQXKABFDRXES-UHFFFAOYSA-N 1 2 356.470 2.827 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCc3onc(C(=O)NC(C)(C)C)c3C2)cc1 ZINC001279743422 1043572240 /nfs/dbraw/zinc/57/22/40/1043572240.db2.gz KBYQXKABFDRXES-UHFFFAOYSA-N 1 2 356.470 2.827 20 10 FFCDLO CCN(C(=O)c1[nH]nc2c1C[N@H+](Cc1c(O)cccc1F)CC2)C(C)C ZINC001280009528 1044083742 /nfs/dbraw/zinc/08/37/42/1044083742.db2.gz UGODPUZYNWDTEV-UHFFFAOYSA-N 1 2 360.433 2.683 20 10 FFCDLO CCN(C(=O)c1[nH]nc2c1C[N@@H+](Cc1c(O)cccc1F)CC2)C(C)C ZINC001280009528 1044083757 /nfs/dbraw/zinc/08/37/57/1044083757.db2.gz UGODPUZYNWDTEV-UHFFFAOYSA-N 1 2 360.433 2.683 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N3[C@H](C)CCC[C@H]3C)CC2)cc1 ZINC001319397627 1045137095 /nfs/dbraw/zinc/13/70/95/1045137095.db2.gz SHYPJUJHDMXCJH-QZTJIDSGSA-N 1 2 359.514 2.997 20 10 FFCDLO COC(=O)/C=C\c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000728566508 1046431831 /nfs/dbraw/zinc/43/18/31/1046431831.db2.gz HNAZMNMCLPGJIL-ZQMJAJRESA-N 1 2 356.382 2.819 20 10 FFCDLO CCc1cc(C[N@H+](C)Cc2nnc3c(=O)[nH]ccn23)c(O)c(C(C)(C)C)c1 ZINC001332152228 1048270354 /nfs/dbraw/zinc/27/03/54/1048270354.db2.gz QZSRXONBEWNGSK-UHFFFAOYSA-N 1 2 369.469 2.615 20 10 FFCDLO CCc1cc(C[N@@H+](C)Cc2nnc3c(=O)[nH]ccn23)c(O)c(C(C)(C)C)c1 ZINC001332152228 1048270364 /nfs/dbraw/zinc/27/03/64/1048270364.db2.gz QZSRXONBEWNGSK-UHFFFAOYSA-N 1 2 369.469 2.615 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC001300610061 1058988399 /nfs/dbraw/zinc/98/83/99/1058988399.db2.gz DZBNTWLSITYMTP-HOTGVXAUSA-N 1 2 361.511 2.995 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC001300610061 1058988415 /nfs/dbraw/zinc/98/84/15/1058988415.db2.gz DZBNTWLSITYMTP-HOTGVXAUSA-N 1 2 361.511 2.995 20 10 FFCDLO CCN(C)c1ccc(C[N@H+](CCC(=O)OC)CC(=O)OC(C)(C)C)cc1 ZINC001460694795 1061064465 /nfs/dbraw/zinc/06/44/65/1061064465.db2.gz OSXHXIYCZJBILN-UHFFFAOYSA-N 1 2 364.486 2.850 20 10 FFCDLO CCN(C)c1ccc(C[N@@H+](CCC(=O)OC)CC(=O)OC(C)(C)C)cc1 ZINC001460694795 1061064482 /nfs/dbraw/zinc/06/44/82/1061064482.db2.gz OSXHXIYCZJBILN-UHFFFAOYSA-N 1 2 364.486 2.850 20 10 FFCDLO COC(=O)c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)N2 ZINC001462605813 1061688417 /nfs/dbraw/zinc/68/84/17/1061688417.db2.gz COCYPLBJCWZYPG-MRXNPFEDSA-N 1 2 374.824 2.875 20 10 FFCDLO Oc1c(CN2CC[NH+](CCCOCC(F)(F)F)CC2)ccc(F)c1F ZINC001474382200 1065508112 /nfs/dbraw/zinc/50/81/12/1065508112.db2.gz GBLFSILADDTAIS-UHFFFAOYSA-N 1 2 368.346 2.757 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@@H](O)C1 ZINC001560565266 1076279992 /nfs/dbraw/zinc/27/99/92/1076279992.db2.gz YGTBEYUWISRPLB-KBPBESRZSA-N 1 2 374.840 2.645 20 10 FFCDLO COc1cc2nc(NCc3ccc(N(C)C)cc3)[nH+]c(N)c2cc1OC ZINC000075633303 508123460 /nfs/dbraw/zinc/12/34/60/508123460.db2.gz FCZGSMJRPCYFHW-UHFFFAOYSA-N 1 2 353.426 2.907 20 10 FFCDLO O=C(NCc1ccc(O)c(O)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000158882882 508763550 /nfs/dbraw/zinc/76/35/50/508763550.db2.gz WNXWMIVZUZXVHD-SFHVURJKSA-N 1 2 358.463 2.504 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000186054981 509501711 /nfs/dbraw/zinc/50/17/11/509501711.db2.gz AJXZYXCQOVMNTH-RNCFNFMXSA-N 1 2 369.252 2.889 20 10 FFCDLO CC(=O)N1CCN(c2ccc(CNc3cc[nH+]c(C4CC4)n3)cc2)CC1 ZINC000276313098 510931448 /nfs/dbraw/zinc/93/14/48/510931448.db2.gz NMWGNTLOYSGYGI-UHFFFAOYSA-N 1 2 351.454 2.635 20 10 FFCDLO Fc1cc(CNc2cc(N3CCCC3)nc[nH+]2)ccc1N1CCOCC1 ZINC000277425915 510963309 /nfs/dbraw/zinc/96/33/09/510963309.db2.gz LMPPIUQCAYCRGV-UHFFFAOYSA-N 1 2 357.433 2.665 20 10 FFCDLO Fc1cc(CNc2cc(N3CCCC3)[nH+]cn2)ccc1N1CCOCC1 ZINC000277425915 510963313 /nfs/dbraw/zinc/96/33/13/510963313.db2.gz LMPPIUQCAYCRGV-UHFFFAOYSA-N 1 2 357.433 2.665 20 10 FFCDLO CCOC1CC(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)(N2CCOCC2)C1 ZINC000278431563 510992447 /nfs/dbraw/zinc/99/24/47/510992447.db2.gz JLXOPSSHPQRJNH-VFPJAPOESA-N 1 2 370.440 2.591 20 10 FFCDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000278451662 510993702 /nfs/dbraw/zinc/99/37/02/510993702.db2.gz UOEAEJAZCFPWEV-LLVKDONJSA-N 1 2 350.415 2.817 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273391077 511524714 /nfs/dbraw/zinc/52/47/14/511524714.db2.gz KREFCONVZLMBOB-GFCCVEGCSA-N 1 2 364.423 2.696 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273424141 511524913 /nfs/dbraw/zinc/52/49/13/511524913.db2.gz SXSSPHRHLVTQAN-LLVKDONJSA-N 1 2 365.411 2.523 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273464398 511527890 /nfs/dbraw/zinc/52/78/90/511527890.db2.gz IOVBNAYGSIFJDL-GUYCJALGSA-N 1 2 355.394 2.752 20 10 FFCDLO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000273570669 511537839 /nfs/dbraw/zinc/53/78/39/511537839.db2.gz KQJSBWCDWBCGAU-GUYCJALGSA-N 1 2 357.410 2.651 20 10 FFCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000282160891 512091588 /nfs/dbraw/zinc/09/15/88/512091588.db2.gz IKJYXZZUJRTFDB-UHFFFAOYSA-N 1 2 357.288 2.926 20 10 FFCDLO COc1ccccc1[C@H](NC(=O)c1ccc(C)c(O)c1O)c1[nH+]ccn1C ZINC000376843312 513012616 /nfs/dbraw/zinc/01/26/16/513012616.db2.gz FQMZAOBETBJOAY-INIZCTEOSA-N 1 2 367.405 2.668 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000529675628 517276650 /nfs/dbraw/zinc/27/66/50/517276650.db2.gz SCBSCLDCBXSFPR-OLZOCXBDSA-N 1 2 374.300 2.615 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000529675628 517276660 /nfs/dbraw/zinc/27/66/60/517276660.db2.gz SCBSCLDCBXSFPR-OLZOCXBDSA-N 1 2 374.300 2.615 20 10 FFCDLO O=C(NCCCSc1nccs1)N1CCC(n2cc[nH+]c2)CC1 ZINC000154621962 728808563 /nfs/dbraw/zinc/80/85/63/728808563.db2.gz DOYAQZITHKFVGN-UHFFFAOYSA-N 1 2 351.501 2.869 20 10 FFCDLO Cc1ccccc1/C=C1\SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000028964083 727888857 /nfs/dbraw/zinc/88/88/57/727888857.db2.gz KDIOEYOQIDGSHP-SSZFMOIBSA-N 1 2 362.520 2.919 20 10 FFCDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866813 728426460 /nfs/dbraw/zinc/42/64/60/728426460.db2.gz PQGFLQBNBVMUDS-CQSZACIVSA-N 1 2 351.466 2.650 20 10 FFCDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(Br)c3O)[C@@H]2C1 ZINC000092096449 728464745 /nfs/dbraw/zinc/46/47/45/728464745.db2.gz QSKRKSZIUWGZIG-BPLDGKMQSA-N 1 2 356.260 2.923 20 10 FFCDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc(Br)c3O)[C@@H]2C1 ZINC000092096449 728464748 /nfs/dbraw/zinc/46/47/48/728464748.db2.gz QSKRKSZIUWGZIG-BPLDGKMQSA-N 1 2 356.260 2.923 20 10 FFCDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000092510379 728468166 /nfs/dbraw/zinc/46/81/66/728468166.db2.gz XHXQFRIPHHBIOH-AWEZNQCLSA-N 1 2 355.276 2.988 20 10 FFCDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(Br)c1O ZINC000092510379 728468168 /nfs/dbraw/zinc/46/81/68/728468168.db2.gz XHXQFRIPHHBIOH-AWEZNQCLSA-N 1 2 355.276 2.988 20 10 FFCDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093077823 728473656 /nfs/dbraw/zinc/47/36/56/728473656.db2.gz YTQIBJHSHLYLQM-AWEZNQCLSA-N 1 2 365.905 2.611 20 10 FFCDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000122368511 728646652 /nfs/dbraw/zinc/64/66/52/728646652.db2.gz PAFZGLAMPFHSNW-OAHLLOKOSA-N 1 2 353.484 2.547 20 10 FFCDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000122368511 728646653 /nfs/dbraw/zinc/64/66/53/728646653.db2.gz PAFZGLAMPFHSNW-OAHLLOKOSA-N 1 2 353.484 2.547 20 10 FFCDLO C[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000134899095 728733918 /nfs/dbraw/zinc/73/39/18/728733918.db2.gz ZKUVPLMNDHRVRR-BQBZGAKWSA-N 1 2 353.054 2.949 20 10 FFCDLO C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000134925769 728734202 /nfs/dbraw/zinc/73/42/02/728734202.db2.gz AUZZCHBPCBACHJ-BQBZGAKWSA-N 1 2 353.054 2.949 20 10 FFCDLO CC[N@H+](Cc1nc(CCOC)no1)Cc1cc(Br)ccc1O ZINC000174422563 729071820 /nfs/dbraw/zinc/07/18/20/729071820.db2.gz KUVFCDHFGUDGHQ-UHFFFAOYSA-N 1 2 370.247 2.749 20 10 FFCDLO CC[N@@H+](Cc1nc(CCOC)no1)Cc1cc(Br)ccc1O ZINC000174422563 729071826 /nfs/dbraw/zinc/07/18/26/729071826.db2.gz KUVFCDHFGUDGHQ-UHFFFAOYSA-N 1 2 370.247 2.749 20 10 FFCDLO CC(=O)c1cc(Cl)cc(CN2CCC(C[NH+]3CCOCC3)CC2)c1O ZINC000177277073 729133016 /nfs/dbraw/zinc/13/30/16/729133016.db2.gz WYEDNGNGIBCYAQ-UHFFFAOYSA-N 1 2 366.889 2.792 20 10 FFCDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862362921 730692068 /nfs/dbraw/zinc/69/20/68/730692068.db2.gz HCERKEWVXRPSBY-OAHLLOKOSA-N 1 2 366.330 2.958 20 10 FFCDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862362921 730692070 /nfs/dbraw/zinc/69/20/70/730692070.db2.gz HCERKEWVXRPSBY-OAHLLOKOSA-N 1 2 366.330 2.958 20 10 FFCDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876545100 732255562 /nfs/dbraw/zinc/25/55/62/732255562.db2.gz AFHZVOXNWCOMNU-JTQLQIEISA-N 1 2 356.394 2.511 20 10 FFCDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876545100 732255563 /nfs/dbraw/zinc/25/55/63/732255563.db2.gz AFHZVOXNWCOMNU-JTQLQIEISA-N 1 2 356.394 2.511 20 10 FFCDLO COC(=O)[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000781594450 738639286 /nfs/dbraw/zinc/63/92/86/738639286.db2.gz MVOHDYJDUYHJJQ-BBRMVZONSA-N 1 2 354.397 2.798 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)cc(Cl)c1O ZINC000927136757 738695633 /nfs/dbraw/zinc/69/56/33/738695633.db2.gz SBLTUNHGZHJHGL-AMIZOPFISA-N 1 2 374.666 2.926 20 10 FFCDLO CCc1nn(C)c(OC)c1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883082049 733329505 /nfs/dbraw/zinc/32/95/05/733329505.db2.gz VQPPTWBXXUZUMM-UHFFFAOYSA-N 1 2 372.238 2.888 20 10 FFCDLO Cc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c(=O)n1C ZINC000883105185 733334057 /nfs/dbraw/zinc/33/40/57/733334057.db2.gz AMXCHZGRSUBCAV-UHFFFAOYSA-N 1 2 355.207 2.591 20 10 FFCDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883112490 733335980 /nfs/dbraw/zinc/33/59/80/733335980.db2.gz NQECGHHVQJIYPP-UHFFFAOYSA-N 1 2 357.227 2.930 20 10 FFCDLO O=C1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCN1C1CCC1 ZINC000883191487 733348831 /nfs/dbraw/zinc/34/88/31/733348831.db2.gz CDNOXRSVHRETFD-ZDUSSCGKSA-N 1 2 357.223 2.537 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000883197822 733349623 /nfs/dbraw/zinc/34/96/23/733349623.db2.gz UAOLBBOFXDYXAC-UHFFFAOYSA-N 1 2 369.650 2.577 20 10 FFCDLO OC[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)Cc1ccoc1 ZINC000883272201 733357870 /nfs/dbraw/zinc/35/78/70/733357870.db2.gz GSFDMSJRVGEPIO-LLVKDONJSA-N 1 2 358.207 2.828 20 10 FFCDLO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000886220392 733761084 /nfs/dbraw/zinc/76/10/84/733761084.db2.gz HKUCNNLKIYXYQT-NEPJUHHUSA-N 1 2 364.667 2.828 20 10 FFCDLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893865141 734764011 /nfs/dbraw/zinc/76/40/11/734764011.db2.gz HYKBRJLCLBGKQZ-NSHDSACASA-N 1 2 359.239 2.642 20 10 FFCDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893865141 734764014 /nfs/dbraw/zinc/76/40/14/734764014.db2.gz HYKBRJLCLBGKQZ-NSHDSACASA-N 1 2 359.239 2.642 20 10 FFCDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC000895629369 735034292 /nfs/dbraw/zinc/03/42/92/735034292.db2.gz KBCFVQGAYGBRTF-UHFFFAOYSA-N 1 2 357.435 2.818 20 10 FFCDLO Cc1nc([C@H]2CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)no1 ZINC000896229362 735122476 /nfs/dbraw/zinc/12/24/76/735122476.db2.gz BSYFPHLFBRXKAB-VIFPVBQESA-N 1 2 356.195 2.975 20 10 FFCDLO Cc1nc([C@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)no1 ZINC000896229362 735122478 /nfs/dbraw/zinc/12/24/78/735122478.db2.gz BSYFPHLFBRXKAB-VIFPVBQESA-N 1 2 356.195 2.975 20 10 FFCDLO C[C@H]([NH2+]CCN1CCSCC1)c1cc(Br)cc(F)c1O ZINC000756575643 736344621 /nfs/dbraw/zinc/34/46/21/736344621.db2.gz IOIMYQORLKWSAW-JTQLQIEISA-N 1 2 363.296 2.993 20 10 FFCDLO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Br)cc(F)c1O ZINC000756703546 736353425 /nfs/dbraw/zinc/35/34/25/736353425.db2.gz DPWKTSCINZAICO-FKTRJACZSA-N 1 2 359.239 2.989 20 10 FFCDLO COc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)c1O ZINC000761226919 736709689 /nfs/dbraw/zinc/70/96/89/736709689.db2.gz XEESDCVOWOUFLV-UHFFFAOYSA-N 1 2 355.866 2.632 20 10 FFCDLO COc1cc(Cl)cc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)c1O ZINC000761226919 736709694 /nfs/dbraw/zinc/70/96/94/736709694.db2.gz XEESDCVOWOUFLV-UHFFFAOYSA-N 1 2 355.866 2.632 20 10 FFCDLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1cc(Br)c(F)cc1O ZINC000769983973 737588096 /nfs/dbraw/zinc/58/80/96/737588096.db2.gz BWIJAXNZELXRJG-QMMMGPOBSA-N 1 2 370.226 2.541 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000775098507 738061320 /nfs/dbraw/zinc/06/13/20/738061320.db2.gz WQVSLMSWBZFMOY-AWEZNQCLSA-N 1 2 364.320 2.852 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000775098507 738061324 /nfs/dbraw/zinc/06/13/24/738061324.db2.gz WQVSLMSWBZFMOY-AWEZNQCLSA-N 1 2 364.320 2.852 20 10 FFCDLO CCOCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775652616 738109596 /nfs/dbraw/zinc/10/95/96/738109596.db2.gz OAWWTQUCXNTWGC-UHFFFAOYSA-N 1 2 372.868 2.940 20 10 FFCDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CCOCC1 ZINC000789579177 739369735 /nfs/dbraw/zinc/36/97/35/739369735.db2.gz FHDXDXLCLFVGDL-HNNXBMFYSA-N 1 2 372.259 2.603 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000793232580 739755733 /nfs/dbraw/zinc/75/57/33/739755733.db2.gz YUUXIWJIHBVGPC-WBMJQRKESA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000793232580 739755735 /nfs/dbraw/zinc/75/57/35/739755735.db2.gz YUUXIWJIHBVGPC-WBMJQRKESA-N 1 2 356.260 2.843 20 10 FFCDLO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)cc(F)c1O ZINC000815640488 741949729 /nfs/dbraw/zinc/94/97/29/741949729.db2.gz ZCHADYLIDWMKDI-SECBINFHSA-N 1 2 357.227 2.706 20 10 FFCDLO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cscn2)cc1 ZINC001275970365 1013243852 /nfs/dbraw/zinc/24/38/52/1013243852.db2.gz UDMFWDZKRRIBBA-RTBURBONSA-N 1 2 370.522 2.975 20 10 FFCDLO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cscn2)cc1 ZINC001275970365 1013243859 /nfs/dbraw/zinc/24/38/59/1013243859.db2.gz UDMFWDZKRRIBBA-RTBURBONSA-N 1 2 370.522 2.975 20 10 FFCDLO O=C(/C=C\c1ccc(O)c(O)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000588404550 963580909 /nfs/dbraw/zinc/58/09/09/963580909.db2.gz JCMLYUGZRPMKCV-DHIFYFQBSA-N 1 2 364.445 2.969 20 10 FFCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2c[nH+]ccc2[nH]1 ZINC000933825279 965221718 /nfs/dbraw/zinc/22/17/18/965221718.db2.gz RBSMKQHQTLPATN-UHFFFAOYSA-N 1 2 368.412 2.593 20 10 FFCDLO CC[C@H](CO)Nc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000892024817 965829190 /nfs/dbraw/zinc/82/91/90/965829190.db2.gz GPWGNCTYJSTXKO-NVXWUHKLSA-N 1 2 371.485 2.669 20 10 FFCDLO CC[C@H](CO)Nc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)[nH+]cn1 ZINC000892024817 965829202 /nfs/dbraw/zinc/82/92/02/965829202.db2.gz GPWGNCTYJSTXKO-NVXWUHKLSA-N 1 2 371.485 2.669 20 10 FFCDLO CN(Cc1ccccc1O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000053914659 975555999 /nfs/dbraw/zinc/55/59/99/975555999.db2.gz CJEMRWGKUHQZKK-UHFFFAOYSA-N 1 2 352.350 2.758 20 10 FFCDLO COc1ccccc1C[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000015442445 977513069 /nfs/dbraw/zinc/51/30/69/977513069.db2.gz WWUYMTYPQWTEEF-UHFFFAOYSA-N 1 2 355.482 2.852 20 10 FFCDLO COc1ccccc1C[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000015442445 977513073 /nfs/dbraw/zinc/51/30/73/977513073.db2.gz WWUYMTYPQWTEEF-UHFFFAOYSA-N 1 2 355.482 2.852 20 10 FFCDLO COc1ccc(C)cc1C[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000022776910 979284814 /nfs/dbraw/zinc/28/48/14/979284814.db2.gz GIFAMTCTRDFVIZ-UHFFFAOYSA-N 1 2 370.449 2.756 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913470101 984274547 /nfs/dbraw/zinc/27/45/47/984274547.db2.gz XNFZDXOMUFSZLH-INIZCTEOSA-N 1 2 369.494 2.676 20 10 FFCDLO COCCc1noc(C[N@H+](C)Cc2cc(OC)cc(C(C)(C)C)c2O)n1 ZINC000164490970 984376094 /nfs/dbraw/zinc/37/60/94/984376094.db2.gz QLLQHTOIQYEXDW-UHFFFAOYSA-N 1 2 363.458 2.902 20 10 FFCDLO COCCc1noc(C[N@@H+](C)Cc2cc(OC)cc(C(C)(C)C)c2O)n1 ZINC000164490970 984376102 /nfs/dbraw/zinc/37/61/02/984376102.db2.gz QLLQHTOIQYEXDW-UHFFFAOYSA-N 1 2 363.458 2.902 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)NCCc2[nH]cc[nH+]2)CCCC1 ZINC000651302769 1015122515 /nfs/dbraw/zinc/12/25/15/1015122515.db2.gz UYKJBSFTOCNUDP-UHFFFAOYSA-N 1 2 352.438 2.611 20 10 FFCDLO COc1ccc(N2CC[C@@H](CNC(=O)Nc3cc(C)[nH+]cc3C)C2)cc1 ZINC000824253212 996864256 /nfs/dbraw/zinc/86/42/56/996864256.db2.gz SMNNTHBMILYLFJ-INIZCTEOSA-N 1 2 354.454 2.777 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825441259 997376552 /nfs/dbraw/zinc/37/65/52/997376552.db2.gz NLTDBWZZCRUJGJ-WMLDXEAASA-N 1 2 365.470 2.851 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825441259 997376566 /nfs/dbraw/zinc/37/65/66/997376566.db2.gz NLTDBWZZCRUJGJ-WMLDXEAASA-N 1 2 365.470 2.851 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1F ZINC000731402372 997891784 /nfs/dbraw/zinc/89/17/84/997891784.db2.gz VOGJFYKONYYLDP-UHFFFAOYSA-N 1 2 359.449 2.978 20 10 FFCDLO COC(=O)Cc1ccc(NCc2cc(Br)ccc2O)[nH+]c1 ZINC001171174075 998459104 /nfs/dbraw/zinc/45/91/04/998459104.db2.gz GMULQOLIKSGKMG-UHFFFAOYSA-N 1 2 351.200 2.877 20 10 FFCDLO CCC(CC)[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCOCC1 ZINC000742058302 999753588 /nfs/dbraw/zinc/75/35/88/999753588.db2.gz WUZVBWBSJOJNHN-IBGZPJMESA-N 1 2 365.493 2.645 20 10 FFCDLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768236239 1000200216 /nfs/dbraw/zinc/20/02/16/1000200216.db2.gz CVZNNBXTWKQFPD-MRXNPFEDSA-N 1 2 355.390 2.829 20 10 FFCDLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768236239 1000200219 /nfs/dbraw/zinc/20/02/19/1000200219.db2.gz CVZNNBXTWKQFPD-MRXNPFEDSA-N 1 2 355.390 2.829 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000846066970 1000202461 /nfs/dbraw/zinc/20/24/61/1000202461.db2.gz KGSMROUYHLSDOW-KRWDZBQOSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCN(C)C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000846066970 1000202463 /nfs/dbraw/zinc/20/24/63/1000202463.db2.gz KGSMROUYHLSDOW-KRWDZBQOSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(CN2CC[N@H+](C)C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000846066970 1000202467 /nfs/dbraw/zinc/20/24/67/1000202467.db2.gz KGSMROUYHLSDOW-KRWDZBQOSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(CN2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000846066970 1000202469 /nfs/dbraw/zinc/20/24/69/1000202469.db2.gz KGSMROUYHLSDOW-KRWDZBQOSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1OC ZINC000790467861 1002396014 /nfs/dbraw/zinc/39/60/14/1002396014.db2.gz SHZVLJRXNMVWKS-KRWDZBQOSA-N 1 2 359.422 2.689 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1OC ZINC000790467861 1002396024 /nfs/dbraw/zinc/39/60/24/1002396024.db2.gz SHZVLJRXNMVWKS-KRWDZBQOSA-N 1 2 359.422 2.689 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nnnn1C1CC1 ZINC000791008864 1002541707 /nfs/dbraw/zinc/54/17/07/1002541707.db2.gz KCFFPPDFFPUVGV-ZDUSSCGKSA-N 1 2 371.445 2.757 20 10 FFCDLO c1ccc(OC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1 ZINC000792188628 1002937845 /nfs/dbraw/zinc/93/78/45/1002937845.db2.gz PPJLDQQIKMNEPN-JOCHJYFZSA-N 1 2 368.477 2.803 20 10 FFCDLO c1ccc(OC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1 ZINC000792188628 1002937851 /nfs/dbraw/zinc/93/78/51/1002937851.db2.gz PPJLDQQIKMNEPN-JOCHJYFZSA-N 1 2 368.477 2.803 20 10 FFCDLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278634 1004929511 /nfs/dbraw/zinc/92/95/11/1004929511.db2.gz JBUPJHLPACRLCW-XGBCSFPLSA-N 1 2 365.393 2.864 20 10 FFCDLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278634 1004929519 /nfs/dbraw/zinc/92/95/19/1004929519.db2.gz JBUPJHLPACRLCW-XGBCSFPLSA-N 1 2 365.393 2.864 20 10 FFCDLO COc1ccc(N2CC[C@H]([NH2+][C@H](c3cnn[nH]3)c3ccc(F)cc3)C2)cc1 ZINC000850489745 1005818529 /nfs/dbraw/zinc/81/85/29/1005818529.db2.gz WSEFWXVDLZKGAE-JXFKEZNVSA-N 1 2 367.428 2.910 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000815140571 1006528119 /nfs/dbraw/zinc/52/81/19/1006528119.db2.gz BOLARGAKGLVRHT-LJQANCHMSA-N 1 2 370.424 2.667 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000815140571 1006528126 /nfs/dbraw/zinc/52/81/26/1006528126.db2.gz BOLARGAKGLVRHT-LJQANCHMSA-N 1 2 370.424 2.667 20 10 FFCDLO O=C(/C=C\c1ccc(O)c(O)c1)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817183368 1007465414 /nfs/dbraw/zinc/46/54/14/1007465414.db2.gz DQKIPZIPAMJFLQ-ALCCZGGFSA-N 1 2 369.417 2.687 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000115521834 1008202467 /nfs/dbraw/zinc/20/24/67/1008202467.db2.gz MMQAMTAXPASAIZ-INIZCTEOSA-N 1 2 355.486 2.672 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000115521834 1008202471 /nfs/dbraw/zinc/20/24/71/1008202471.db2.gz MMQAMTAXPASAIZ-INIZCTEOSA-N 1 2 355.486 2.672 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCc2c[nH+]cn2C)ccc1C ZINC000860727831 1009127809 /nfs/dbraw/zinc/12/78/09/1009127809.db2.gz IGMMQFANFNIOOI-UHFFFAOYSA-N 1 2 364.449 2.921 20 10 FFCDLO O=S1(=O)CC2(C1)CCC([NH2+]Cc1cccc(Br)c1O)CC2 ZINC001181463432 1010107126 /nfs/dbraw/zinc/10/71/26/1010107126.db2.gz AOZOAFABMMGVHL-UHFFFAOYSA-N 1 2 374.300 2.602 20 10 FFCDLO Nc1cc[nH+]c(-c2cc(NC(=O)CCc3ccc(O)c(O)c3)ccn2)c1 ZINC001182153900 1010402933 /nfs/dbraw/zinc/40/29/33/1010402933.db2.gz PCYGRKNQPRQKFV-UHFFFAOYSA-N 1 2 350.378 2.708 20 10 FFCDLO CC(C)n1ncnc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000865419099 1010781106 /nfs/dbraw/zinc/78/11/06/1010781106.db2.gz UITNOCGQIZWOBC-HUUCEWRRSA-N 1 2 361.465 2.902 20 10 FFCDLO COc1ccc(N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)cc1F ZINC000121988204 1011153353 /nfs/dbraw/zinc/15/33/53/1011153353.db2.gz IZYDWJRTYXEIFQ-GOSISDBHSA-N 1 2 366.383 2.968 20 10 FFCDLO CC(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275230075 1012111351 /nfs/dbraw/zinc/11/13/51/1012111351.db2.gz UZDGVKBHTBQRQM-IBGZPJMESA-N 1 2 366.408 2.668 20 10 FFCDLO CC(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275230075 1012111362 /nfs/dbraw/zinc/11/13/62/1012111362.db2.gz UZDGVKBHTBQRQM-IBGZPJMESA-N 1 2 366.408 2.668 20 10 FFCDLO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000750010474 1021222699 /nfs/dbraw/zinc/22/26/99/1021222699.db2.gz MDGUTUMNYOIHFL-QGZVFWFLSA-N 1 2 352.394 2.774 20 10 FFCDLO Oc1ccc2ccncc2c1C[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000750010474 1021222702 /nfs/dbraw/zinc/22/27/02/1021222702.db2.gz MDGUTUMNYOIHFL-QGZVFWFLSA-N 1 2 352.394 2.774 20 10 FFCDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000779019381 1022656570 /nfs/dbraw/zinc/65/65/70/1022656570.db2.gz KZUCQPKIAONAIX-INIZCTEOSA-N 1 2 372.440 2.951 20 10 FFCDLO Cc1nc2[nH]ccc2c(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[nH+]1 ZINC000751218794 1022771833 /nfs/dbraw/zinc/77/18/33/1022771833.db2.gz INLYAZVFHQDWED-HNNXBMFYSA-N 1 2 364.453 2.580 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NCC(=O)c2ccccc2)cc1 ZINC000751468583 1022840428 /nfs/dbraw/zinc/84/04/28/1022840428.db2.gz KPQKSODBRLKVSL-UHFFFAOYSA-N 1 2 367.493 2.964 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NCC(=O)c2ccccc2)cc1 ZINC000751468583 1022840449 /nfs/dbraw/zinc/84/04/49/1022840449.db2.gz KPQKSODBRLKVSL-UHFFFAOYSA-N 1 2 367.493 2.964 20 10 FFCDLO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001119613538 1022893773 /nfs/dbraw/zinc/89/37/73/1022893773.db2.gz IYAWGENRFKIZRG-SFHVURJKSA-N 1 2 370.478 2.893 20 10 FFCDLO O=C([O-])CCC[NH+]1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC001119616014 1022897493 /nfs/dbraw/zinc/89/74/93/1022897493.db2.gz ZSNHSXUDUQGCAW-UHFFFAOYSA-N 1 2 371.275 2.574 20 10 FFCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753547759 1023351261 /nfs/dbraw/zinc/35/12/61/1023351261.db2.gz VLPYGFSKTBBWHT-IBGZPJMESA-N 1 2 371.433 2.735 20 10 FFCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753547759 1023351269 /nfs/dbraw/zinc/35/12/69/1023351269.db2.gz VLPYGFSKTBBWHT-IBGZPJMESA-N 1 2 371.433 2.735 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001137832943 1033166212 /nfs/dbraw/zinc/16/62/12/1033166212.db2.gz NBSITHXHWMMMDH-FQEVSTJZSA-N 1 2 357.429 2.798 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001137832943 1033166214 /nfs/dbraw/zinc/16/62/14/1033166214.db2.gz NBSITHXHWMMMDH-FQEVSTJZSA-N 1 2 357.429 2.798 20 10 FFCDLO CNc1cc(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc[nH+]1 ZINC001123695525 1023944280 /nfs/dbraw/zinc/94/42/80/1023944280.db2.gz SVSAZYLXEWFHFO-UHFFFAOYSA-N 1 2 369.469 2.554 20 10 FFCDLO COCC[NH+]1CCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 ZINC000194606887 1024865676 /nfs/dbraw/zinc/86/56/76/1024865676.db2.gz HCQCYFIUGCXFRJ-UHFFFAOYSA-N 1 2 369.509 2.849 20 10 FFCDLO COC(=O)c1oc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)cc1C ZINC000084866424 1025152384 /nfs/dbraw/zinc/15/23/84/1025152384.db2.gz HAJKLMPQVNZYJD-UHFFFAOYSA-N 1 2 362.401 2.845 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@](O)(CO)C2)c(C)n1-c1ccc(C)c(F)c1 ZINC000839150031 1026605464 /nfs/dbraw/zinc/60/54/64/1026605464.db2.gz ZSXUQNXRZPKXMO-OAQYLSRUSA-N 1 2 374.456 2.544 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@](O)(CO)C2)c(C)n1-c1ccc(C)c(F)c1 ZINC000839150031 1026605471 /nfs/dbraw/zinc/60/54/71/1026605471.db2.gz ZSXUQNXRZPKXMO-OAQYLSRUSA-N 1 2 374.456 2.544 20 10 FFCDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839554175 1026730065 /nfs/dbraw/zinc/73/00/65/1026730065.db2.gz ZDXUBOTWXTVRGG-INIZCTEOSA-N 1 2 353.466 2.652 20 10 FFCDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839554175 1026730070 /nfs/dbraw/zinc/73/00/70/1026730070.db2.gz ZDXUBOTWXTVRGG-INIZCTEOSA-N 1 2 353.466 2.652 20 10 FFCDLO COc1ccc(N2CC[NH+](Cn3ccc(-c4ccc(F)cn4)n3)CC2)cc1 ZINC000839947269 1026875311 /nfs/dbraw/zinc/87/53/11/1026875311.db2.gz DDUPMJDDVNJDKN-UHFFFAOYSA-N 1 2 367.428 2.873 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000840351451 1027056768 /nfs/dbraw/zinc/05/67/68/1027056768.db2.gz MJLDGTIKLYKINS-RDJZCZTQSA-N 1 2 355.486 2.503 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2nnn(CC)c21 ZINC001203608335 1030782883 /nfs/dbraw/zinc/78/28/83/1030782883.db2.gz MGABILLXZLQVMV-HNNXBMFYSA-N 1 2 360.458 2.538 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(OCC)c2O)Cc2nnn(CC)c21 ZINC001203608335 1030782897 /nfs/dbraw/zinc/78/28/97/1030782897.db2.gz MGABILLXZLQVMV-HNNXBMFYSA-N 1 2 360.458 2.538 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1CCO ZINC001203664586 1030814105 /nfs/dbraw/zinc/81/41/05/1030814105.db2.gz LVHZWVRXCWQAAT-HNNXBMFYSA-N 1 2 370.877 2.849 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1CCO ZINC001203664586 1030814124 /nfs/dbraw/zinc/81/41/24/1030814124.db2.gz LVHZWVRXCWQAAT-HNNXBMFYSA-N 1 2 370.877 2.849 20 10 FFCDLO O=C([O-])c1ccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH+]c1 ZINC000843035010 1031149216 /nfs/dbraw/zinc/14/92/16/1031149216.db2.gz RJHYZXLZNARUNC-UHFFFAOYSA-N 1 2 366.465 2.924 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(C)n1-c1ccccc1 ZINC000830285914 1033551160 /nfs/dbraw/zinc/55/11/60/1033551160.db2.gz JAKUUNPDOCUWRV-IRLDBZIGSA-N 1 2 367.493 2.682 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(C)n1-c1ccccc1 ZINC000830285914 1033551168 /nfs/dbraw/zinc/55/11/68/1033551168.db2.gz JAKUUNPDOCUWRV-IRLDBZIGSA-N 1 2 367.493 2.682 20 10 FFCDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000830548360 1033668765 /nfs/dbraw/zinc/66/87/65/1033668765.db2.gz BEGHARFOAVCDSL-UHFFFAOYSA-N 1 2 352.482 2.663 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968049 1033867852 /nfs/dbraw/zinc/86/78/52/1033867852.db2.gz XKHPPFVJJGVXTR-SGTLLEGYSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@H]1[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)CCC[C@]12CCC(=O)N2 ZINC001139126017 1034956418 /nfs/dbraw/zinc/95/64/18/1034956418.db2.gz TXSCGORGWGUBPL-UTKZUKDTSA-N 1 2 370.449 2.830 20 10 FFCDLO CC[C@H]1[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)CCC[C@]12CCC(=O)N2 ZINC001139126017 1034956421 /nfs/dbraw/zinc/95/64/21/1034956421.db2.gz TXSCGORGWGUBPL-UTKZUKDTSA-N 1 2 370.449 2.830 20 10 FFCDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000835026177 1035488955 /nfs/dbraw/zinc/48/89/55/1035488955.db2.gz ROJRKDMDGLBMCE-WAYWQWQTSA-N 1 2 350.466 2.619 20 10 FFCDLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232404089 1035652064 /nfs/dbraw/zinc/65/20/64/1035652064.db2.gz LNASYEWNLOHYLU-GUYCJALGSA-N 1 2 360.454 2.984 20 10 FFCDLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232404089 1035652068 /nfs/dbraw/zinc/65/20/68/1035652068.db2.gz LNASYEWNLOHYLU-GUYCJALGSA-N 1 2 360.454 2.984 20 10 FFCDLO O=C1N(c2cccnc2)CC[C@@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581721 1035664609 /nfs/dbraw/zinc/66/46/09/1035664609.db2.gz YKKQGLWPOTYNGM-LJQANCHMSA-N 1 2 359.376 2.694 20 10 FFCDLO O=C1N(c2cccnc2)CC[C@@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581721 1035664612 /nfs/dbraw/zinc/66/46/12/1035664612.db2.gz YKKQGLWPOTYNGM-LJQANCHMSA-N 1 2 359.376 2.694 20 10 FFCDLO O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001228111801 1035938523 /nfs/dbraw/zinc/93/85/23/1035938523.db2.gz WRRKBDCGVYUKEE-CQSZACIVSA-N 1 2 366.373 2.625 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031332 1036271024 /nfs/dbraw/zinc/27/10/24/1036271024.db2.gz BWKYVDATBRKUIT-VHSXEESVSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031332 1036271034 /nfs/dbraw/zinc/27/10/34/1036271034.db2.gz BWKYVDATBRKUIT-VHSXEESVSA-N 1 2 360.223 2.925 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c(O)cc(Br)cc3F)CC[C@@H]21 ZINC001233033942 1036274608 /nfs/dbraw/zinc/27/46/08/1036274608.db2.gz YWDAKUXNRVSMOU-HZMBPMFUSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3c(O)cc(Br)cc3F)CC[C@@H]21 ZINC001233033942 1036274625 /nfs/dbraw/zinc/27/46/25/1036274625.db2.gz YWDAKUXNRVSMOU-HZMBPMFUSA-N 1 2 371.250 2.737 20 10 FFCDLO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(F)c(F)c1O)C2 ZINC001233077405 1036327614 /nfs/dbraw/zinc/32/76/14/1036327614.db2.gz PAUNRWJBKSNKRE-UHFFFAOYSA-N 1 2 350.413 2.723 20 10 FFCDLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccc(F)c(F)c1O)C2 ZINC001233077405 1036327632 /nfs/dbraw/zinc/32/76/32/1036327632.db2.gz PAUNRWJBKSNKRE-UHFFFAOYSA-N 1 2 350.413 2.723 20 10 FFCDLO Cc1cc(Br)cc(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c1O ZINC001233110565 1036354347 /nfs/dbraw/zinc/35/43/47/1036354347.db2.gz FYLKTMYFZSPOBC-CHWSQXEVSA-N 1 2 369.303 2.757 20 10 FFCDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388669 1036684712 /nfs/dbraw/zinc/68/47/12/1036684712.db2.gz YZBDUEWQCLYGNG-HZPDHXFCSA-N 1 2 370.852 2.787 20 10 FFCDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388669 1036684717 /nfs/dbraw/zinc/68/47/17/1036684717.db2.gz YZBDUEWQCLYGNG-HZPDHXFCSA-N 1 2 370.852 2.787 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(OC)c1 ZINC001141026161 1036756854 /nfs/dbraw/zinc/75/68/54/1036756854.db2.gz GQEXVWKXSCXAOI-CYBMUJFWSA-N 1 2 366.458 2.851 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(OC)c1 ZINC001141026161 1036756873 /nfs/dbraw/zinc/75/68/73/1036756873.db2.gz GQEXVWKXSCXAOI-CYBMUJFWSA-N 1 2 366.458 2.851 20 10 FFCDLO CCc1ccc(C[N@@H+]2C[C@]3(F)CN(C4CCCC4)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277826557 1036885560 /nfs/dbraw/zinc/88/55/60/1036885560.db2.gz NMYNWQNZCOBTCI-VQTJNVASSA-N 1 2 364.436 2.972 20 10 FFCDLO CCc1ccc(C[N@H+]2C[C@]3(F)CN(C4CCCC4)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277826557 1036885582 /nfs/dbraw/zinc/88/55/82/1036885582.db2.gz NMYNWQNZCOBTCI-VQTJNVASSA-N 1 2 364.436 2.972 20 10 FFCDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001277427370 1036955802 /nfs/dbraw/zinc/95/58/02/1036955802.db2.gz QUIYXQLADOJFMX-CYBMUJFWSA-N 1 2 352.862 2.566 20 10 FFCDLO O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O[C@H]3C[NH+]4CCC3CC4)c21 ZINC001234748303 1037163839 /nfs/dbraw/zinc/16/38/39/1037163839.db2.gz IISQYLHAYSJLFM-SFHVURJKSA-N 1 2 369.373 2.536 20 10 FFCDLO O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001235067541 1037337968 /nfs/dbraw/zinc/33/79/68/1037337968.db2.gz VSHDFPXCLYWEDP-UHFFFAOYSA-N 1 2 367.218 2.995 20 10 FFCDLO O=c1ccc2c([nH]1)CC[N@H+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001235067541 1037337982 /nfs/dbraw/zinc/33/79/82/1037337982.db2.gz VSHDFPXCLYWEDP-UHFFFAOYSA-N 1 2 367.218 2.995 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277507554 1037538297 /nfs/dbraw/zinc/53/82/97/1037538297.db2.gz QMMBOBZKMAQRHZ-KZULUSFZSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277507554 1037538305 /nfs/dbraw/zinc/53/83/05/1037538305.db2.gz QMMBOBZKMAQRHZ-KZULUSFZSA-N 1 2 370.852 2.787 20 10 FFCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1cccc(C)c1O ZINC001231592564 1037712980 /nfs/dbraw/zinc/71/29/80/1037712980.db2.gz NTBALINOHPHBNX-SFHVURJKSA-N 1 2 356.470 2.714 20 10 FFCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1cccc(C)c1O ZINC001231592564 1037712996 /nfs/dbraw/zinc/71/29/96/1037712996.db2.gz NTBALINOHPHBNX-SFHVURJKSA-N 1 2 356.470 2.714 20 10 FFCDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(OCC)cc3)CC2)nc1 ZINC001235866785 1037806107 /nfs/dbraw/zinc/80/61/07/1037806107.db2.gz LTLKDBPASWUCGT-UHFFFAOYSA-N 1 2 369.465 2.979 20 10 FFCDLO CC[N@H+](Cc1cccc(I)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236010436 1037887839 /nfs/dbraw/zinc/88/78/39/1037887839.db2.gz RSFHNZXWWIVHCZ-GFCCVEGCSA-N 1 2 360.239 2.571 20 10 FFCDLO CC[N@@H+](Cc1cccc(I)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236010436 1037887849 /nfs/dbraw/zinc/88/78/49/1037887849.db2.gz RSFHNZXWWIVHCZ-GFCCVEGCSA-N 1 2 360.239 2.571 20 10 FFCDLO O=C1COC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)CN1CC1CC1 ZINC001231912245 1038008148 /nfs/dbraw/zinc/00/81/48/1038008148.db2.gz YBVKTIYNMSAZCP-UHFFFAOYSA-N 1 2 364.873 2.649 20 10 FFCDLO CCOc1ccc(CN2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(O)c1 ZINC001237041247 1038418515 /nfs/dbraw/zinc/41/85/15/1038418515.db2.gz HFWFKCQDFHYFNB-UHFFFAOYSA-N 1 2 373.501 2.629 20 10 FFCDLO CCOc1ccc(CN2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(O)c1 ZINC001237041247 1038418521 /nfs/dbraw/zinc/41/85/21/1038418521.db2.gz HFWFKCQDFHYFNB-UHFFFAOYSA-N 1 2 373.501 2.629 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC(C(F)F)C2)cc1I ZINC001248477119 1040293257 /nfs/dbraw/zinc/29/32/57/1040293257.db2.gz YYDHMGLFRZCORY-UHFFFAOYSA-N 1 2 369.149 2.702 20 10 FFCDLO c1cc(N2CCOCC2)cc2[nH+]c(-c3ccc(N4CCOCC4)cc3)[nH]c12 ZINC001250702948 1041311384 /nfs/dbraw/zinc/31/13/84/1041311384.db2.gz RQGYQNADFPLMDB-UHFFFAOYSA-N 1 2 364.449 2.903 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC3(CN(CCCC(F)(F)F)C3)C2)c(OC)c1 ZINC001279350200 1043020410 /nfs/dbraw/zinc/02/04/10/1043020410.db2.gz BCQVSPIIGTVVIB-UHFFFAOYSA-N 1 2 374.403 2.870 20 10 FFCDLO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1c(O)ccc(F)c1F)C2 ZINC001279489146 1043173289 /nfs/dbraw/zinc/17/32/89/1043173289.db2.gz LEDJZQCIUFZKNM-AWEZNQCLSA-N 1 2 360.404 2.837 20 10 FFCDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001279683904 1043464318 /nfs/dbraw/zinc/46/43/18/1043464318.db2.gz LSQQAEMMMTZJSI-TXEJJXNPSA-N 1 2 355.841 2.951 20 10 FFCDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001279683904 1043464324 /nfs/dbraw/zinc/46/43/24/1043464324.db2.gz LSQQAEMMMTZJSI-TXEJJXNPSA-N 1 2 355.841 2.951 20 10 FFCDLO O=C(NCC(F)F)c1noc2c1C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001279983815 1044035576 /nfs/dbraw/zinc/03/55/76/1044035576.db2.gz SDMNALGZWLLAAV-UHFFFAOYSA-N 1 2 371.771 2.587 20 10 FFCDLO O=C(NCC(F)F)c1noc2c1C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001279983815 1044035591 /nfs/dbraw/zinc/03/55/91/1044035591.db2.gz SDMNALGZWLLAAV-UHFFFAOYSA-N 1 2 371.771 2.587 20 10 FFCDLO O=C([C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)Cc2ccnn21)N1CC=CC1 ZINC001279983941 1044035917 /nfs/dbraw/zinc/03/59/17/1044035917.db2.gz WJJBGCAVPKMUNK-QGZVFWFLSA-N 1 2 372.856 2.588 20 10 FFCDLO O=C([C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)Cc2ccnn21)N1CC=CC1 ZINC001279983941 1044035932 /nfs/dbraw/zinc/03/59/32/1044035932.db2.gz WJJBGCAVPKMUNK-QGZVFWFLSA-N 1 2 372.856 2.588 20 10 FFCDLO COc1nc(Cl)c(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1C ZINC001320487720 1045417072 /nfs/dbraw/zinc/41/70/72/1045417072.db2.gz VZYTWCVKDSJTJB-UHFFFAOYSA-N 1 2 364.877 2.803 20 10 FFCDLO COc1nc(Cl)c(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)n1C ZINC001320487720 1045417073 /nfs/dbraw/zinc/41/70/73/1045417073.db2.gz VZYTWCVKDSJTJB-UHFFFAOYSA-N 1 2 364.877 2.803 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001340663472 1051036361 /nfs/dbraw/zinc/03/63/61/1051036361.db2.gz QSDVTPICCBNRFP-LLVKDONJSA-N 1 2 352.232 2.961 20 10 FFCDLO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001308281205 1052441542 /nfs/dbraw/zinc/44/15/42/1052441542.db2.gz LXAGNDHSYPVDMS-OAHLLOKOSA-N 1 2 361.436 2.971 20 10 FFCDLO COc1cc(Br)cc(C[NH2+]C2(c3nc(C)no3)CC2)c1O ZINC001335577391 1053447378 /nfs/dbraw/zinc/44/73/78/1053447378.db2.gz FLXJMINVHXKAKO-UHFFFAOYSA-N 1 2 354.204 2.634 20 10 FFCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000847407604 1055723330 /nfs/dbraw/zinc/72/33/30/1055723330.db2.gz LRIRPYWLQDDOIW-UZLBHIALSA-N 1 2 370.497 2.862 20 10 FFCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000847407604 1055723339 /nfs/dbraw/zinc/72/33/39/1055723339.db2.gz LRIRPYWLQDDOIW-UZLBHIALSA-N 1 2 370.497 2.862 20 10 FFCDLO CCn1c(C2Sc3ncccc3C2=O)nnc1N1CC[NH+](C2CC2)CC1 ZINC001357515708 1055930126 /nfs/dbraw/zinc/93/01/26/1055930126.db2.gz DOJVWCFJWFCRRO-UHFFFAOYSA-N 1 2 370.482 2.565 20 10 FFCDLO CCc1cn(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c[nH+]1 ZINC001459261540 1060733150 /nfs/dbraw/zinc/73/31/50/1060733150.db2.gz NIICCECIPMOVRU-GJZGRUSLSA-N 1 2 374.460 2.515 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc(Br)c[nH]2)cc1 ZINC001462398047 1061607041 /nfs/dbraw/zinc/60/70/41/1061607041.db2.gz CFARVRFQPOBYKO-UHFFFAOYSA-N 1 2 353.264 2.749 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(Br)c[nH]2)cc1 ZINC001462398047 1061607055 /nfs/dbraw/zinc/60/70/55/1061607055.db2.gz CFARVRFQPOBYKO-UHFFFAOYSA-N 1 2 353.264 2.749 20 10 FFCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894654 1063587921 /nfs/dbraw/zinc/58/79/21/1063587921.db2.gz ZSWXICFJOOKYAP-AWEZNQCLSA-N 1 2 361.409 2.803 20 10 FFCDLO Cc1cc(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC001563470715 1076558262 /nfs/dbraw/zinc/55/82/62/1076558262.db2.gz JPQVIISEMKSTOG-INIZCTEOSA-N 1 2 370.497 2.614 20 10 FFCDLO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589836939 1080788788 /nfs/dbraw/zinc/78/87/88/1080788788.db2.gz RAGXAOLYIRHOMB-CHWSQXEVSA-N 1 2 353.426 2.950 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1cnn(CC2CCC2)c1 ZINC001589953798 1080900075 /nfs/dbraw/zinc/90/00/75/1080900075.db2.gz VYCSSHGOQGWHHR-OLZOCXBDSA-N 1 2 367.457 2.981 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000373114970 512179193 /nfs/dbraw/zinc/17/91/93/512179193.db2.gz FZNHOWOQUUSOOU-HNNXBMFYSA-N 1 2 359.449 2.714 20 10 FFCDLO CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000031730190 507821437 /nfs/dbraw/zinc/82/14/37/507821437.db2.gz OTTARRZWCVRGFS-UHFFFAOYSA-N 1 2 353.470 2.747 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000152907325 508529941 /nfs/dbraw/zinc/52/99/41/508529941.db2.gz FHIHCCYJWJPBSV-MRXNPFEDSA-N 1 2 358.417 2.650 20 10 FFCDLO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187673042 510382262 /nfs/dbraw/zinc/38/22/62/510382262.db2.gz OAGNVYUSSXROQE-LLVKDONJSA-N 1 2 350.365 2.760 20 10 FFCDLO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191370224 510626207 /nfs/dbraw/zinc/62/62/07/510626207.db2.gz GRDOXEKCBBVYAD-INIZCTEOSA-N 1 2 353.825 2.864 20 10 FFCDLO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000195016260 510632789 /nfs/dbraw/zinc/63/27/89/510632789.db2.gz ZCRQQZZKHORXIK-OAQYLSRUSA-N 1 2 355.434 2.963 20 10 FFCDLO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000195016260 510632794 /nfs/dbraw/zinc/63/27/94/510632794.db2.gz ZCRQQZZKHORXIK-OAQYLSRUSA-N 1 2 355.434 2.963 20 10 FFCDLO COc1c(O)c(C[NH2+]Cc2cc(COC(C)(C)C)on2)ccc1[N+](=O)[O-] ZINC000278471377 510994257 /nfs/dbraw/zinc/99/42/57/510994257.db2.gz HGCYGAHSBDKSJD-UHFFFAOYSA-N 1 2 365.386 2.902 20 10 FFCDLO COc1c(O)c(C[NH2+]Cc2nnc(C(C)(C)C)s2)ccc1[N+](=O)[O-] ZINC000278467322 510994445 /nfs/dbraw/zinc/99/44/45/510994445.db2.gz GMPNZWVJSHCJEE-UHFFFAOYSA-N 1 2 352.416 2.748 20 10 FFCDLO CC[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1O ZINC000287308442 511046847 /nfs/dbraw/zinc/04/68/47/511046847.db2.gz CVWAHQIHHLHERP-OAHLLOKOSA-N 1 2 360.907 2.758 20 10 FFCDLO O=C(c1ccncc1)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294477885 511077977 /nfs/dbraw/zinc/07/79/77/511077977.db2.gz ZVDRQVJPIFVLOP-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(Br)ccc2O)n1 ZINC000271194638 511115694 /nfs/dbraw/zinc/11/56/94/511115694.db2.gz HFGGLKBXXQDYPX-VIFPVBQESA-N 1 2 356.220 2.877 20 10 FFCDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(Br)ccc2O)n1 ZINC000271194638 511115697 /nfs/dbraw/zinc/11/56/97/511115697.db2.gz HFGGLKBXXQDYPX-VIFPVBQESA-N 1 2 356.220 2.877 20 10 FFCDLO COc1c(O)c(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)ccc1[N+](=O)[O-] ZINC000294913978 511219487 /nfs/dbraw/zinc/21/94/87/511219487.db2.gz YGRDFFJYWYMTCG-UHFFFAOYSA-N 1 2 371.393 2.573 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000363443863 511555970 /nfs/dbraw/zinc/55/59/70/511555970.db2.gz ZVCRKSBOOVOBTC-UHFFFAOYSA-N 1 2 364.453 2.675 20 10 FFCDLO Cc1ccc([C@@H](CNC(=O)NCc2ccccc2O)[NH+]2CCOCC2)cc1 ZINC000299546712 511662954 /nfs/dbraw/zinc/66/29/54/511662954.db2.gz WPVVSUNLQDPVFP-LJQANCHMSA-N 1 2 369.465 2.573 20 10 FFCDLO CC(=O)N1CCN(c2ccc(CNc3cc[nH+]c(C(C)C)n3)cc2)CC1 ZINC000302715123 511710245 /nfs/dbraw/zinc/71/02/45/511710245.db2.gz MQRDNLCLMNMMFP-UHFFFAOYSA-N 1 2 353.470 2.881 20 10 FFCDLO CCOc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000364325450 512085891 /nfs/dbraw/zinc/08/58/91/512085891.db2.gz POXFLTSRFKJOGR-OAHLLOKOSA-N 1 2 366.458 2.516 20 10 FFCDLO CCOc1cccc(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000364325450 512085893 /nfs/dbraw/zinc/08/58/93/512085893.db2.gz POXFLTSRFKJOGR-OAHLLOKOSA-N 1 2 366.458 2.516 20 10 FFCDLO CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1O ZINC000376883858 513032001 /nfs/dbraw/zinc/03/20/01/513032001.db2.gz DLRRXQFJVRKTFW-HZPDHXFCSA-N 1 2 352.862 2.866 20 10 FFCDLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737275177 598617569 /nfs/dbraw/zinc/61/75/69/598617569.db2.gz RYLIIBLHOOKFQR-UHFFFAOYSA-N 1 2 373.420 2.652 20 10 FFCDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cccc(Br)c1O ZINC000093610712 728476707 /nfs/dbraw/zinc/47/67/07/728476707.db2.gz RXOUESDONCPOKT-NSHDSACASA-N 1 2 360.273 2.635 20 10 FFCDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cccc(Br)c1O ZINC000093610712 728476711 /nfs/dbraw/zinc/47/67/11/728476711.db2.gz RXOUESDONCPOKT-NSHDSACASA-N 1 2 360.273 2.635 20 10 FFCDLO Cc1nsc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)n1 ZINC000093663310 728476970 /nfs/dbraw/zinc/47/69/70/728476970.db2.gz XUHZUNXKLUQLJT-UHFFFAOYSA-N 1 2 369.288 2.637 20 10 FFCDLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000133727271 728727677 /nfs/dbraw/zinc/72/76/77/728727677.db2.gz NBCMIIMJMZBKPS-HNNXBMFYSA-N 1 2 365.905 2.564 20 10 FFCDLO C[C@@H]([NH2+]C[C@H](C)O)c1cc(Br)cc(Br)c1O ZINC000134899134 728733904 /nfs/dbraw/zinc/73/39/04/728733904.db2.gz ZKUVPLMNDHRVRR-NKWVEPMBSA-N 1 2 353.054 2.949 20 10 FFCDLO Cc1ccccc1/C=C1/SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000255053711 729630497 /nfs/dbraw/zinc/63/04/97/729630497.db2.gz KDIOEYOQIDGSHP-DTQAZKPQSA-N 1 2 362.520 2.919 20 10 FFCDLO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000857058505 730376675 /nfs/dbraw/zinc/37/66/75/730376675.db2.gz OMNSUUAULZSRQJ-AWEZNQCLSA-N 1 2 355.818 2.944 20 10 FFCDLO Oc1cccc(Br)c1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000862302376 730686992 /nfs/dbraw/zinc/68/69/92/730686992.db2.gz RNFLKHQOKFYNHR-UHFFFAOYSA-N 1 2 362.271 2.868 20 10 FFCDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862356564 730691305 /nfs/dbraw/zinc/69/13/05/730691305.db2.gz LDKOZXYAHZSXOM-NSHDSACASA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862356564 730691306 /nfs/dbraw/zinc/69/13/06/730691306.db2.gz LDKOZXYAHZSXOM-NSHDSACASA-N 1 2 362.289 2.554 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(Br)cc(Cl)c1O ZINC000866497847 731067443 /nfs/dbraw/zinc/06/74/43/731067443.db2.gz MYFDKXGTTWHUHL-NZXMKCKXSA-N 1 2 350.640 2.609 20 10 FFCDLO COCC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1cccs1 ZINC000780858494 738582038 /nfs/dbraw/zinc/58/20/38/738582038.db2.gz JRAOAXBBPLOKOI-UHFFFAOYSA-N 1 2 361.511 2.579 20 10 FFCDLO COCC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1cccs1 ZINC000780858494 738582043 /nfs/dbraw/zinc/58/20/43/738582043.db2.gz JRAOAXBBPLOKOI-UHFFFAOYSA-N 1 2 361.511 2.579 20 10 FFCDLO C[N@H+](CCN1CC2(C1)CCOCC2)Cc1cccc(Br)c1O ZINC000877765883 732425978 /nfs/dbraw/zinc/42/59/78/732425978.db2.gz SLNCMTSNJIWOAC-UHFFFAOYSA-N 1 2 369.303 2.699 20 10 FFCDLO C[N@@H+](CCN1CC2(C1)CCOCC2)Cc1cccc(Br)c1O ZINC000877765883 732425980 /nfs/dbraw/zinc/42/59/80/732425980.db2.gz SLNCMTSNJIWOAC-UHFFFAOYSA-N 1 2 369.303 2.699 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)cc(F)c1O ZINC000927142488 738695807 /nfs/dbraw/zinc/69/58/07/738695807.db2.gz CLUCDIDFQGESKH-WPRPVWTQSA-N 1 2 369.238 2.630 20 10 FFCDLO COCC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708124649 734362630 /nfs/dbraw/zinc/36/26/30/734362630.db2.gz IKZNAYZHFUKLIU-NSHDSACASA-N 1 2 352.656 2.949 20 10 FFCDLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708179146 734362632 /nfs/dbraw/zinc/36/26/32/734362632.db2.gz SKZYEBMNOFLULY-UHFFFAOYSA-N 1 2 370.696 2.721 20 10 FFCDLO O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C[C@H]2C1)C(F)(F)F ZINC000894899724 734933808 /nfs/dbraw/zinc/93/38/08/734933808.db2.gz ACNWBUXBZBJVKJ-ONGXEEELSA-N 1 2 364.314 2.513 20 10 FFCDLO O=C(N1C[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C[C@H]2C1)C(F)(F)F ZINC000894899724 734933811 /nfs/dbraw/zinc/93/38/11/734933811.db2.gz ACNWBUXBZBJVKJ-ONGXEEELSA-N 1 2 364.314 2.513 20 10 FFCDLO O=C1CCC2=C(CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)N1 ZINC000895226124 734976334 /nfs/dbraw/zinc/97/63/34/734976334.db2.gz UDXYMJGQTCAWPJ-UHFFFAOYSA-N 1 2 355.207 2.664 20 10 FFCDLO O=C1CCC2=C(CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)N1 ZINC000895226124 734976336 /nfs/dbraw/zinc/97/63/36/734976336.db2.gz UDXYMJGQTCAWPJ-UHFFFAOYSA-N 1 2 355.207 2.664 20 10 FFCDLO C[C@H]([NH2+]CCN1CCCOCC1)c1cc(Br)c(F)cc1O ZINC000903226547 736059979 /nfs/dbraw/zinc/05/99/79/736059979.db2.gz HDMHSAYMNPFNMM-NSHDSACASA-N 1 2 361.255 2.667 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCSCC1)c1cc(Br)cc(F)c1O ZINC000756575645 736344730 /nfs/dbraw/zinc/34/47/30/736344730.db2.gz IOIMYQORLKWSAW-SNVBAGLBSA-N 1 2 363.296 2.993 20 10 FFCDLO C[C@@H]([NH2+]CCNc1cnccn1)c1cc(Br)cc(F)c1O ZINC000756645689 736349646 /nfs/dbraw/zinc/34/96/46/736349646.db2.gz INZUZTRHLJMHGP-SECBINFHSA-N 1 2 355.211 2.847 20 10 FFCDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000756719722 736355100 /nfs/dbraw/zinc/35/51/00/736355100.db2.gz CEJQQPUMAFGVAQ-LBPRGKRZSA-N 1 2 351.501 2.558 20 10 FFCDLO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756733436 736356771 /nfs/dbraw/zinc/35/67/71/736356771.db2.gz PNLMLDMZKBNOBO-ZJUUUORDSA-N 1 2 350.228 2.996 20 10 FFCDLO COC(=O)N1CC([NH2+][C@H](C)c2cc(Br)cc(Cl)c2O)C1 ZINC000756762400 736359711 /nfs/dbraw/zinc/35/97/11/736359711.db2.gz ZKYDKOACRMVXCZ-SSDOTTSWSA-N 1 2 363.639 2.909 20 10 FFCDLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756775709 736360756 /nfs/dbraw/zinc/36/07/56/736360756.db2.gz RLXXJEZYZLHZOA-ZDSQKVDBSA-N 1 2 359.239 2.859 20 10 FFCDLO COc1c(O)c(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774979308 738047412 /nfs/dbraw/zinc/04/74/12/738047412.db2.gz TWLHBWLFBUUYJE-ACJLOTCBSA-N 1 2 351.447 2.909 20 10 FFCDLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000775255808 738076526 /nfs/dbraw/zinc/07/65/26/738076526.db2.gz RBECYYIGYAMYLG-ZDUSSCGKSA-N 1 2 360.483 2.789 20 10 FFCDLO O=C(c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1)N1CCOCC1 ZINC000775847490 738131335 /nfs/dbraw/zinc/13/13/35/738131335.db2.gz GVFPHWVRNJIISL-UHFFFAOYSA-N 1 2 360.841 2.808 20 10 FFCDLO CN(C)c1ccc(C[N@H+](CCS(C)(=O)=O)C2CC2)c(C(F)(F)F)c1 ZINC000792839178 739711429 /nfs/dbraw/zinc/71/14/29/739711429.db2.gz USBXNQFJTBXEPO-UHFFFAOYSA-N 1 2 364.433 2.780 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c(C(F)(F)F)c1 ZINC000792839178 739711434 /nfs/dbraw/zinc/71/14/34/739711434.db2.gz USBXNQFJTBXEPO-UHFFFAOYSA-N 1 2 364.433 2.780 20 10 FFCDLO Ic1cnc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000796282230 740125184 /nfs/dbraw/zinc/12/51/84/740125184.db2.gz BZATUOJIXUQPDR-UHFFFAOYSA-N 1 2 372.231 2.972 20 10 FFCDLO COC(=O)N1CCC(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000796499679 740147936 /nfs/dbraw/zinc/14/79/36/740147936.db2.gz AIOPZDAMSKIETB-UHFFFAOYSA-N 1 2 357.248 2.723 20 10 FFCDLO COCC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000798940384 740375420 /nfs/dbraw/zinc/37/54/20/740375420.db2.gz GNXBWILLTWVTFP-PSASIEDQSA-N 1 2 352.656 2.856 20 10 FFCDLO C[N@H+](CCS(C)(=O)=O)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809547478 741313099 /nfs/dbraw/zinc/31/30/99/741313099.db2.gz NVZCXLCVLJAOHC-UHFFFAOYSA-N 1 2 358.507 2.726 20 10 FFCDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809547478 741313106 /nfs/dbraw/zinc/31/31/06/741313106.db2.gz NVZCXLCVLJAOHC-UHFFFAOYSA-N 1 2 358.507 2.726 20 10 FFCDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)C(F)(F)F ZINC000811514582 741532793 /nfs/dbraw/zinc/53/27/93/741532793.db2.gz AYRXVERVMNWFFR-JTQLQIEISA-N 1 2 350.768 2.936 20 10 FFCDLO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)C(F)(F)F ZINC000811514582 741532795 /nfs/dbraw/zinc/53/27/95/741532795.db2.gz AYRXVERVMNWFFR-JTQLQIEISA-N 1 2 350.768 2.936 20 10 FFCDLO O=C(NCCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(O)c1 ZINC000816544388 742040342 /nfs/dbraw/zinc/04/03/42/742040342.db2.gz GMSXTEVWUABXHU-UHFFFAOYSA-N 1 2 352.793 2.800 20 10 FFCDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2cc(C)cc(Br)c2O)C1 ZINC000816635029 742049246 /nfs/dbraw/zinc/04/92/46/742049246.db2.gz AGVNJQDYGAUFNP-CYBMUJFWSA-N 1 2 360.223 2.796 20 10 FFCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000823433184 742909390 /nfs/dbraw/zinc/90/93/90/742909390.db2.gz QROOZCMJHCIQCA-SFHVURJKSA-N 1 2 360.479 2.758 20 10 FFCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000823433184 742909396 /nfs/dbraw/zinc/90/93/96/742909396.db2.gz QROOZCMJHCIQCA-SFHVURJKSA-N 1 2 360.479 2.758 20 10 FFCDLO CCn1nc(C)c(CN[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000823855381 742990509 /nfs/dbraw/zinc/99/05/09/742990509.db2.gz QOIOHOFSKGNAGK-MRXNPFEDSA-N 1 2 363.893 2.720 20 10 FFCDLO CCn1nc(C)c(CN[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000823855381 742990518 /nfs/dbraw/zinc/99/05/18/742990518.db2.gz QOIOHOFSKGNAGK-MRXNPFEDSA-N 1 2 363.893 2.720 20 10 FFCDLO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000826796883 743444135 /nfs/dbraw/zinc/44/41/35/743444135.db2.gz OVRJJEVQFPBRCK-INIZCTEOSA-N 1 2 365.857 2.764 20 10 FFCDLO COC[C@](C)(O)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000834844584 745913319 /nfs/dbraw/zinc/91/33/19/745913319.db2.gz RMSPKTHFULRQNB-YMTOWFKASA-N 1 2 350.228 2.732 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1O ZINC000843418026 747833405 /nfs/dbraw/zinc/83/34/05/747833405.db2.gz NRAOWKHIOICZPE-HNNXBMFYSA-N 1 2 374.300 2.871 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1O ZINC000843418026 747833414 /nfs/dbraw/zinc/83/34/14/747833414.db2.gz NRAOWKHIOICZPE-HNNXBMFYSA-N 1 2 374.300 2.871 20 10 FFCDLO O=C(NCc1cc(Cl)ccc1O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000844885482 748125516 /nfs/dbraw/zinc/12/55/16/748125516.db2.gz JDIUOFZTBJSQMX-UHFFFAOYSA-N 1 2 360.845 2.909 20 10 FFCDLO CCOc1ccc(C[NH2+][C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c(O)c1 ZINC000846107557 748408984 /nfs/dbraw/zinc/40/89/84/748408984.db2.gz JLUYQLLGAHXHNM-XUWXXGDYSA-N 1 2 351.443 2.627 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CC(n3cc[nH+]c3)C2)CCCC1 ZINC000651344004 970864966 /nfs/dbraw/zinc/86/49/66/970864966.db2.gz NUBVAWUHRZCIEC-UHFFFAOYSA-N 1 2 364.449 2.809 20 10 FFCDLO COc1ccc(N2CCC(NC(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)cc1 ZINC000896088135 971218814 /nfs/dbraw/zinc/21/88/14/971218814.db2.gz PFELUMUWNJBASX-UHFFFAOYSA-N 1 2 356.470 2.720 20 10 FFCDLO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(F)c(F)cc1O)C2 ZINC001279108750 964069024 /nfs/dbraw/zinc/06/90/24/964069024.db2.gz WNFGVJDTSAGXQN-HNNXBMFYSA-N 1 2 360.404 2.837 20 10 FFCDLO Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c(O)c1O ZINC000255343324 964108327 /nfs/dbraw/zinc/10/83/27/964108327.db2.gz RFEJPKSETIRSAC-YVMONPNESA-N 1 2 352.434 2.877 20 10 FFCDLO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000125487893 974487222 /nfs/dbraw/zinc/48/72/22/974487222.db2.gz NPEHIYUFAZFBGO-UHFFFAOYSA-N 1 2 374.824 2.732 20 10 FFCDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000877706176 1014693399 /nfs/dbraw/zinc/69/33/99/1014693399.db2.gz HMQRKLBFJIJAQM-MRXNPFEDSA-N 1 2 351.450 2.866 20 10 FFCDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000877706176 1014693404 /nfs/dbraw/zinc/69/34/04/1014693404.db2.gz HMQRKLBFJIJAQM-MRXNPFEDSA-N 1 2 351.450 2.866 20 10 FFCDLO C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000729623643 981190026 /nfs/dbraw/zinc/19/00/26/981190026.db2.gz NOKBKOVNGROJNX-SJORKVTESA-N 1 2 374.529 2.536 20 10 FFCDLO Cc1cc(C)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(C)[nH+]1 ZINC000912709160 984094776 /nfs/dbraw/zinc/09/47/76/984094776.db2.gz BOASDJRZLVDNAA-UHFFFAOYSA-N 1 2 353.466 2.898 20 10 FFCDLO COc1ccc(N2CCC(NC(=O)N(C)CCCn3cc[nH+]c3)CC2)cc1 ZINC000151569637 986710887 /nfs/dbraw/zinc/71/08/87/986710887.db2.gz KQOPVHCMZPKFLE-UHFFFAOYSA-N 1 2 371.485 2.592 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)cc(OC)c1OC ZINC000184754483 992981048 /nfs/dbraw/zinc/98/10/48/992981048.db2.gz IBCWDQRTPZBZGM-UHFFFAOYSA-N 1 2 373.478 2.968 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000727106288 994491645 /nfs/dbraw/zinc/49/16/45/994491645.db2.gz QRDRACQQPRXSRG-UHFFFAOYSA-N 1 2 355.482 2.807 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000730228712 996994863 /nfs/dbraw/zinc/99/48/63/996994863.db2.gz WIUZJVLXROLDAI-QGZVFWFLSA-N 1 2 368.525 2.768 20 10 FFCDLO C[C@@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)n1cc[nH+]c1 ZINC000844340694 997795996 /nfs/dbraw/zinc/79/59/96/997795996.db2.gz BSSRTFZOZXMZGK-ARFHVFGLSA-N 1 2 374.460 2.903 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000745434602 999914061 /nfs/dbraw/zinc/91/40/61/999914061.db2.gz DMFCDCBNRGGRPZ-MRXNPFEDSA-N 1 2 355.482 2.853 20 10 FFCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000768334940 1000213481 /nfs/dbraw/zinc/21/34/81/1000213481.db2.gz RXPAYOSHSCAAFA-UHFFFAOYSA-N 1 2 362.376 2.637 20 10 FFCDLO COc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000774820545 1002805908 /nfs/dbraw/zinc/80/59/08/1002805908.db2.gz DDIMQKQFCMVGJB-UHFFFAOYSA-N 1 2 373.409 2.640 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000804967000 1003919128 /nfs/dbraw/zinc/91/91/28/1003919128.db2.gz IHHHTDRRAGYKDC-YLJYHZDGSA-N 1 2 374.529 2.537 20 10 FFCDLO O=C(c1ccc(O)c(O)c1Cl)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001193231920 1004411963 /nfs/dbraw/zinc/41/19/63/1004411963.db2.gz BEBXIUCSIHWYNW-HNNXBMFYSA-N 1 2 358.825 2.806 20 10 FFCDLO O=C(c1ccc(O)c(O)c1Cl)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001193231920 1004411968 /nfs/dbraw/zinc/41/19/68/1004411968.db2.gz BEBXIUCSIHWYNW-HNNXBMFYSA-N 1 2 358.825 2.806 20 10 FFCDLO COC1CCN(c2ccc(C[N@H+](C)Cc3nnc4ccccn43)cc2)CC1 ZINC000828006450 1004595919 /nfs/dbraw/zinc/59/59/19/1004595919.db2.gz RDKNDKWHNZUCFJ-UHFFFAOYSA-N 1 2 365.481 2.977 20 10 FFCDLO COC1CCN(c2ccc(C[N@@H+](C)Cc3nnc4ccccn43)cc2)CC1 ZINC000828006450 1004595925 /nfs/dbraw/zinc/59/59/25/1004595925.db2.gz RDKNDKWHNZUCFJ-UHFFFAOYSA-N 1 2 365.481 2.977 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)NCc3ccc(C)c(F)c3)CC2)cc1 ZINC000105323126 1005057575 /nfs/dbraw/zinc/05/75/75/1005057575.db2.gz YEXCYBPTCWUPTG-UHFFFAOYSA-N 1 2 371.456 2.581 20 10 FFCDLO CCOc1cccc(C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1O ZINC000130827625 1006612060 /nfs/dbraw/zinc/61/20/60/1006612060.db2.gz UXJPVWIEQKAWBQ-UHFFFAOYSA-N 1 2 358.413 2.774 20 10 FFCDLO CCOc1cccc(C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1O ZINC000130827625 1006612065 /nfs/dbraw/zinc/61/20/65/1006612065.db2.gz UXJPVWIEQKAWBQ-UHFFFAOYSA-N 1 2 358.413 2.774 20 10 FFCDLO COC(=O)N1CCN(c2ccc(N[C@@H](C)c3cc(F)ccc3O)c[nH+]2)CC1 ZINC000815655290 1006727742 /nfs/dbraw/zinc/72/77/42/1006727742.db2.gz NRKPAGPJCBTOFJ-ZDUSSCGKSA-N 1 2 374.416 2.988 20 10 FFCDLO COc1ccc(N2CCN(C(=O)NCc3cc(C)[nH+]c(C)c3)CC2)cc1F ZINC000817171374 1007453624 /nfs/dbraw/zinc/45/36/24/1007453624.db2.gz VDICWJRNCNZMAO-UHFFFAOYSA-N 1 2 372.444 2.878 20 10 FFCDLO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000817412188 1007591810 /nfs/dbraw/zinc/59/18/10/1007591810.db2.gz GDARCASZIQSGBU-INIZCTEOSA-N 1 2 363.458 2.557 20 10 FFCDLO CC1(C)C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000817412188 1007591821 /nfs/dbraw/zinc/59/18/21/1007591821.db2.gz GDARCASZIQSGBU-INIZCTEOSA-N 1 2 363.458 2.557 20 10 FFCDLO CC(C)c1ccc(O)c(C[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c1 ZINC001206720685 1032400740 /nfs/dbraw/zinc/40/07/40/1032400740.db2.gz LOSBGJALINQSGU-UHFFFAOYSA-N 1 2 366.508 2.783 20 10 FFCDLO CC(C)c1ccc(O)c(C[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c1 ZINC001206720685 1032400746 /nfs/dbraw/zinc/40/07/46/1032400746.db2.gz LOSBGJALINQSGU-UHFFFAOYSA-N 1 2 366.508 2.783 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCOC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000749839801 1021052235 /nfs/dbraw/zinc/05/22/35/1021052235.db2.gz FYBYMOJZZNUHSK-MRXNPFEDSA-N 1 2 356.422 2.726 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCOC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000749839801 1021052243 /nfs/dbraw/zinc/05/22/43/1021052243.db2.gz FYBYMOJZZNUHSK-MRXNPFEDSA-N 1 2 356.422 2.726 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000078511348 1023862625 /nfs/dbraw/zinc/86/26/25/1023862625.db2.gz CAMGNSURHDEVJA-MSOLQXFVSA-N 1 2 355.482 2.933 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000839921735 1026866747 /nfs/dbraw/zinc/86/67/47/1026866747.db2.gz MFTJUQWQXXDSER-DYESRHJHSA-N 1 2 373.541 2.752 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000839921735 1026866752 /nfs/dbraw/zinc/86/67/52/1026866752.db2.gz MFTJUQWQXXDSER-DYESRHJHSA-N 1 2 373.541 2.752 20 10 FFCDLO Cc1cc(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000841302336 1030171758 /nfs/dbraw/zinc/17/17/58/1030171758.db2.gz UICBSZNVRHTCBZ-UHFFFAOYSA-N 1 2 354.458 2.845 20 10 FFCDLO O=C(c1noc2c1C[N@H+](Cc1cc(Cl)ccc1O)CC2)N1CCCC1 ZINC001203658334 1030807540 /nfs/dbraw/zinc/80/75/40/1030807540.db2.gz RXMXZWBWOQJEJR-UHFFFAOYSA-N 1 2 361.829 2.828 20 10 FFCDLO O=C(c1noc2c1C[N@@H+](Cc1cc(Cl)ccc1O)CC2)N1CCCC1 ZINC001203658334 1030807555 /nfs/dbraw/zinc/80/75/55/1030807555.db2.gz RXMXZWBWOQJEJR-UHFFFAOYSA-N 1 2 361.829 2.828 20 10 FFCDLO Cn1c2ccccc2n(C2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c1=O ZINC001203882317 1030956725 /nfs/dbraw/zinc/95/67/25/1030956725.db2.gz HEQIBOIGWQJTDE-UHFFFAOYSA-N 1 2 353.422 2.588 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)cc1 ZINC000797514749 1031141389 /nfs/dbraw/zinc/14/13/89/1031141389.db2.gz IGDFNWJFRVXLFL-UHFFFAOYSA-N 1 2 357.410 2.934 20 10 FFCDLO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(Cl)cc2O)C1=O ZINC001276967122 1033861944 /nfs/dbraw/zinc/86/19/44/1033861944.db2.gz DHILDKKRWOSSPV-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO COCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(Cl)cc2O)C1=O ZINC001276967122 1033861959 /nfs/dbraw/zinc/86/19/59/1033861959.db2.gz DHILDKKRWOSSPV-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO CC[C@@H](C)N1CC2(C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)OCC1=O ZINC001277055287 1034311675 /nfs/dbraw/zinc/31/16/75/1034311675.db2.gz RFFFBNFDJAJYJD-OAHLLOKOSA-N 1 2 360.498 2.901 20 10 FFCDLO CCCCN1CC2(C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)OCC1=O ZINC001277056301 1034321249 /nfs/dbraw/zinc/32/12/49/1034321249.db2.gz JAXBMJCVQVJTSE-UHFFFAOYSA-N 1 2 360.498 2.903 20 10 FFCDLO CSc1ncc2c(n1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138499189 1034341099 /nfs/dbraw/zinc/34/10/99/1034341099.db2.gz CENINVWROYEVCK-UHFFFAOYSA-N 1 2 356.495 2.593 20 10 FFCDLO CSc1ncc2c(n1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138499189 1034341110 /nfs/dbraw/zinc/34/11/10/1034341110.db2.gz CENINVWROYEVCK-UHFFFAOYSA-N 1 2 356.495 2.593 20 10 FFCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)ccc(F)c2F)N1CC(F)(F)F ZINC001277098996 1034528228 /nfs/dbraw/zinc/52/82/28/1034528228.db2.gz XMESPGNXPRMZRW-VXGBXAGGSA-N 1 2 364.314 2.798 20 10 FFCDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)ccc(F)c2F)N1CC(F)(F)F ZINC001277098996 1034528239 /nfs/dbraw/zinc/52/82/39/1034528239.db2.gz XMESPGNXPRMZRW-VXGBXAGGSA-N 1 2 364.314 2.798 20 10 FFCDLO CC(=O)N1CCC2(C1)CC[NH+](Cc1c(O)ccc3c(C)cc(=O)oc31)CC2 ZINC001139125145 1034954535 /nfs/dbraw/zinc/95/45/35/1034954535.db2.gz NNLQAGVUMRBXKN-UHFFFAOYSA-N 1 2 370.449 2.641 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(F)cc(F)c1O ZINC000834909678 1035472849 /nfs/dbraw/zinc/47/28/49/1035472849.db2.gz CQIKTUZDRIVQLM-YPMHNXCESA-N 1 2 372.412 2.957 20 10 FFCDLO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259588 1035531548 /nfs/dbraw/zinc/53/15/48/1035531548.db2.gz FTHNXMAPQJUCRR-GFCCVEGCSA-N 1 2 351.834 2.616 20 10 FFCDLO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259588 1035531559 /nfs/dbraw/zinc/53/15/59/1035531559.db2.gz FTHNXMAPQJUCRR-GFCCVEGCSA-N 1 2 351.834 2.616 20 10 FFCDLO O=C1N(Cc2ncccn2)CC[C@@]12CCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277231492 1035670134 /nfs/dbraw/zinc/67/01/34/1035670134.db2.gz CLRIZWXOISMAKG-IBGZPJMESA-N 1 2 372.856 2.603 20 10 FFCDLO O=C1N(Cc2ncccn2)CC[C@@]12CCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277231492 1035670142 /nfs/dbraw/zinc/67/01/42/1035670142.db2.gz CLRIZWXOISMAKG-IBGZPJMESA-N 1 2 372.856 2.603 20 10 FFCDLO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140585969 1035671505 /nfs/dbraw/zinc/67/15/05/1035671505.db2.gz XSNZSYIIGQXCMG-GFCCVEGCSA-N 1 2 351.353 2.512 20 10 FFCDLO COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140585969 1035671513 /nfs/dbraw/zinc/67/15/13/1035671513.db2.gz XSNZSYIIGQXCMG-GFCCVEGCSA-N 1 2 351.353 2.512 20 10 FFCDLO O=C1N(C2COC2)CC[C@@]12CCC[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC001277231925 1035674993 /nfs/dbraw/zinc/67/49/93/1035674993.db2.gz HXYMJIIETVWNIN-IBGZPJMESA-N 1 2 364.873 2.649 20 10 FFCDLO O=C1N(C2COC2)CC[C@@]12CCC[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC001277231925 1035674998 /nfs/dbraw/zinc/67/49/98/1035674998.db2.gz HXYMJIIETVWNIN-IBGZPJMESA-N 1 2 364.873 2.649 20 10 FFCDLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140664426 1035818328 /nfs/dbraw/zinc/81/83/28/1035818328.db2.gz JNZGSSPZQLYJLY-KSSFIOAISA-N 1 2 352.450 2.682 20 10 FFCDLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140664426 1035818336 /nfs/dbraw/zinc/81/83/36/1035818336.db2.gz JNZGSSPZQLYJLY-KSSFIOAISA-N 1 2 352.450 2.682 20 10 FFCDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(I)cc1O ZINC001232975876 1036207057 /nfs/dbraw/zinc/20/70/57/1036207057.db2.gz LLFKXCMMWCVCEM-TXEJJXNPSA-N 1 2 357.191 2.693 20 10 FFCDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(I)cc1O ZINC001232975876 1036207069 /nfs/dbraw/zinc/20/70/69/1036207069.db2.gz LLFKXCMMWCVCEM-TXEJJXNPSA-N 1 2 357.191 2.693 20 10 FFCDLO C[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001233011044 1036246331 /nfs/dbraw/zinc/24/63/31/1036246331.db2.gz YFVLXGYISXAMLG-LBPRGKRZSA-N 1 2 352.431 2.635 20 10 FFCDLO C[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001233011044 1036246344 /nfs/dbraw/zinc/24/63/44/1036246344.db2.gz YFVLXGYISXAMLG-LBPRGKRZSA-N 1 2 352.431 2.635 20 10 FFCDLO COc1ncnc2c1CC[N@H+](Cc1cc(Br)cc(C)c1O)C2 ZINC001233110667 1036357007 /nfs/dbraw/zinc/35/70/07/1036357007.db2.gz RABPMQNDCOKZQO-UHFFFAOYSA-N 1 2 364.243 2.820 20 10 FFCDLO COc1ncnc2c1CC[N@@H+](Cc1cc(Br)cc(C)c1O)C2 ZINC001233110667 1036357025 /nfs/dbraw/zinc/35/70/25/1036357025.db2.gz RABPMQNDCOKZQO-UHFFFAOYSA-N 1 2 364.243 2.820 20 10 FFCDLO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cc(C)[nH]n4)C3)C2)cc1 ZINC001203073429 1036356984 /nfs/dbraw/zinc/35/69/84/1036356984.db2.gz ZXDBSCUJWVSVTI-OAQYLSRUSA-N 1 2 370.497 2.846 20 10 FFCDLO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cc(C)[nH]n4)C3)C2)cc1 ZINC001203073429 1036357003 /nfs/dbraw/zinc/35/70/03/1036357003.db2.gz ZXDBSCUJWVSVTI-OAQYLSRUSA-N 1 2 370.497 2.846 20 10 FFCDLO COc1ccnc(OC2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)n1 ZINC001233336540 1036544420 /nfs/dbraw/zinc/54/44/20/1036544420.db2.gz PDUZZWBCLWSDNA-UHFFFAOYSA-N 1 2 351.353 2.512 20 10 FFCDLO O=C(c1cccnc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455081 1036633988 /nfs/dbraw/zinc/63/39/88/1036633988.db2.gz VEMTVKNMHAIJLP-UHFFFAOYSA-N 1 2 365.355 2.764 20 10 FFCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cnnn1Cc1ccccc1)CCC2 ZINC001233463922 1036641738 /nfs/dbraw/zinc/64/17/38/1036641738.db2.gz LPIQCQQLDBFFSJ-UHFFFAOYSA-N 1 2 350.422 2.686 20 10 FFCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cnnn1Cc1ccccc1)CCC2 ZINC001233463922 1036641740 /nfs/dbraw/zinc/64/17/40/1036641740.db2.gz LPIQCQQLDBFFSJ-UHFFFAOYSA-N 1 2 350.422 2.686 20 10 FFCDLO Oc1cc(O)c(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1O ZINC001233486221 1036653597 /nfs/dbraw/zinc/65/35/97/1036653597.db2.gz CVBPMUOEZFJJIM-UHFFFAOYSA-N 1 2 370.236 2.827 20 10 FFCDLO O=C1C[C@]2(CN1C1COC1)CCCC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388689 1036684436 /nfs/dbraw/zinc/68/44/36/1036684436.db2.gz ZQMLGFSATGSYRV-SFHVURJKSA-N 1 2 368.836 2.541 20 10 FFCDLO O=C1C[C@]2(CN1C1COC1)CCCC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277388689 1036684445 /nfs/dbraw/zinc/68/44/45/1036684445.db2.gz ZQMLGFSATGSYRV-SFHVURJKSA-N 1 2 368.836 2.541 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001235304177 1037463447 /nfs/dbraw/zinc/46/34/47/1037463447.db2.gz TVYNVDUOWHOGMR-UHFFFAOYSA-N 1 2 361.230 2.912 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001207699843 1037665252 /nfs/dbraw/zinc/66/52/52/1037665252.db2.gz IZWSARRRKCFVDO-SFHVURJKSA-N 1 2 370.877 2.897 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001207699843 1037665257 /nfs/dbraw/zinc/66/52/57/1037665257.db2.gz IZWSARRRKCFVDO-SFHVURJKSA-N 1 2 370.877 2.897 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@]23CCN(C)C3=O)c1 ZINC001277540380 1037717986 /nfs/dbraw/zinc/71/79/86/1037717986.db2.gz KWTFOXFAYLDVEH-MRXNPFEDSA-N 1 2 353.260 2.660 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@]23CCN(C)C3=O)c1 ZINC001277540380 1037717992 /nfs/dbraw/zinc/71/79/92/1037717992.db2.gz KWTFOXFAYLDVEH-MRXNPFEDSA-N 1 2 353.260 2.660 20 10 FFCDLO Cc1cc(C)c(C[NH+]2CCN(c3ccccc3S(C)(=O)=O)CC2)c(O)c1 ZINC001231850688 1037946118 /nfs/dbraw/zinc/94/61/18/1037946118.db2.gz TYBFZZRUPFRGOC-UHFFFAOYSA-N 1 2 374.506 2.735 20 10 FFCDLO C[N@H+](Cc1cccc(I)c1[O-])[C@]1(C)CCC[NH2+]C1 ZINC001236205511 1037982767 /nfs/dbraw/zinc/98/27/67/1037982767.db2.gz FWDJOLPBCHFQDV-CQSZACIVSA-N 1 2 360.239 2.571 20 10 FFCDLO C[N@@H+](Cc1cccc(I)c1[O-])[C@]1(C)CCC[NH2+]C1 ZINC001236205511 1037982782 /nfs/dbraw/zinc/98/27/82/1037982782.db2.gz FWDJOLPBCHFQDV-CQSZACIVSA-N 1 2 360.239 2.571 20 10 FFCDLO O=C(NC1CCC1)[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]2OCC[C@H]21 ZINC001231910795 1038006588 /nfs/dbraw/zinc/00/65/88/1038006588.db2.gz WMVPIGMVMCQNRV-YQQAZPJKSA-N 1 2 364.873 2.551 20 10 FFCDLO O=C(NC1CCC1)[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]2OCC[C@H]21 ZINC001231910795 1038006609 /nfs/dbraw/zinc/00/66/09/1038006609.db2.gz WMVPIGMVMCQNRV-YQQAZPJKSA-N 1 2 364.873 2.551 20 10 FFCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001231910930 1038009462 /nfs/dbraw/zinc/00/94/62/1038009462.db2.gz ZPSZYABMWVBLME-CGTJXYLNSA-N 1 2 360.841 2.857 20 10 FFCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001231910930 1038009484 /nfs/dbraw/zinc/00/94/84/1038009484.db2.gz ZPSZYABMWVBLME-CGTJXYLNSA-N 1 2 360.841 2.857 20 10 FFCDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(C)cc(Br)c1O ZINC001236664620 1038178883 /nfs/dbraw/zinc/17/88/83/1038178883.db2.gz FPZDFWZFOKRYBO-PBWFPOADSA-N 1 2 356.260 2.841 20 10 FFCDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(C)cc(Br)c1O ZINC001236664620 1038178898 /nfs/dbraw/zinc/17/88/98/1038178898.db2.gz FPZDFWZFOKRYBO-PBWFPOADSA-N 1 2 356.260 2.841 20 10 FFCDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(O)c1 ZINC001236788688 1038268050 /nfs/dbraw/zinc/26/80/50/1038268050.db2.gz NERCYUBVTKGXPI-UHFFFAOYSA-N 1 2 374.506 2.770 20 10 FFCDLO COc1cc(O)c(CN2CCC(C)([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC001236803959 1038279584 /nfs/dbraw/zinc/27/95/84/1038279584.db2.gz RJLAVWXMDUISJP-UHFFFAOYSA-N 1 2 354.878 2.741 20 10 FFCDLO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237084228 1038439827 /nfs/dbraw/zinc/43/98/27/1038439827.db2.gz IJBPNESKZQPHBZ-NSHDSACASA-N 1 2 361.269 2.816 20 10 FFCDLO CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237084228 1038439830 /nfs/dbraw/zinc/43/98/30/1038439830.db2.gz IJBPNESKZQPHBZ-NSHDSACASA-N 1 2 361.269 2.816 20 10 FFCDLO O=C(N1CCCC1)C12CC(C1)C[N@H+]2Cc1c(O)cccc1OC(F)(F)F ZINC001237113092 1038447372 /nfs/dbraw/zinc/44/73/72/1038447372.db2.gz RJQITOMDEKBBQA-UHFFFAOYSA-N 1 2 370.371 2.878 20 10 FFCDLO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2Cc1c(O)cccc1OC(F)(F)F ZINC001237113092 1038447378 /nfs/dbraw/zinc/44/73/78/1038447378.db2.gz RJQITOMDEKBBQA-UHFFFAOYSA-N 1 2 370.371 2.878 20 10 FFCDLO O=c1cccc(CN2CCC3(C[NH+](Cc4ccc(Cl)cc4O)C3)C2)[nH]1 ZINC001278554128 1041130309 /nfs/dbraw/zinc/13/03/09/1041130309.db2.gz MWOYTPMNRIQBRX-UHFFFAOYSA-N 1 2 359.857 2.854 20 10 FFCDLO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2c(O)ccc(F)c2F)[nH]1 ZINC001279490492 1043176137 /nfs/dbraw/zinc/17/61/37/1043176137.db2.gz QQFSIEVLVOQTSQ-HOTGVXAUSA-N 1 2 361.392 2.620 20 10 FFCDLO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2c(O)ccc(F)c2F)[nH]1 ZINC001279490492 1043176144 /nfs/dbraw/zinc/17/61/44/1043176144.db2.gz QQFSIEVLVOQTSQ-HOTGVXAUSA-N 1 2 361.392 2.620 20 10 FFCDLO O=c1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2c(O)ccc(F)c2F)[nH]1 ZINC001279490492 1043176148 /nfs/dbraw/zinc/17/61/48/1043176148.db2.gz QQFSIEVLVOQTSQ-HOTGVXAUSA-N 1 2 361.392 2.620 20 10 FFCDLO O=c1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2c(O)ccc(F)c2F)[nH]1 ZINC001279490492 1043176153 /nfs/dbraw/zinc/17/61/53/1043176153.db2.gz QQFSIEVLVOQTSQ-HOTGVXAUSA-N 1 2 361.392 2.620 20 10 FFCDLO Oc1c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cn[nH]c2)cccc1C(F)(F)F ZINC001279506222 1043200948 /nfs/dbraw/zinc/20/09/48/1043200948.db2.gz VRICRHVCEAOTCF-HOTGVXAUSA-N 1 2 366.387 2.983 20 10 FFCDLO Oc1c(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cn[nH]c2)cccc1C(F)(F)F ZINC001279506222 1043200957 /nfs/dbraw/zinc/20/09/57/1043200957.db2.gz VRICRHVCEAOTCF-HOTGVXAUSA-N 1 2 366.387 2.983 20 10 FFCDLO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1 ZINC001237620937 1043277601 /nfs/dbraw/zinc/27/76/01/1043277601.db2.gz ZIOFDMCAYMCTOV-BETUJISGSA-N 1 2 364.804 2.982 20 10 FFCDLO O=C(c1ccco1)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1 ZINC001237620937 1043277610 /nfs/dbraw/zinc/27/76/10/1043277610.db2.gz ZIOFDMCAYMCTOV-BETUJISGSA-N 1 2 364.804 2.982 20 10 FFCDLO CCCNC(=O)COC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237624197 1043279979 /nfs/dbraw/zinc/27/99/79/1043279979.db2.gz OPYYKZXMYVXJFE-UHFFFAOYSA-N 1 2 358.841 2.692 20 10 FFCDLO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]2C1 ZINC001237800385 1043365794 /nfs/dbraw/zinc/36/57/94/1043365794.db2.gz NUCXIPQSJCELAM-BETUJISGSA-N 1 2 364.804 2.982 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935198 1043441291 /nfs/dbraw/zinc/44/12/91/1043441291.db2.gz RCFUMVXKQYSJNO-VXGBXAGGSA-N 1 2 374.840 2.645 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935198 1043441305 /nfs/dbraw/zinc/44/13/05/1043441305.db2.gz RCFUMVXKQYSJNO-VXGBXAGGSA-N 1 2 374.840 2.645 20 10 FFCDLO O=S(=O)(Nc1ccc(C[C@@H]2CCC[NH2+]C2)cc1)c1cccc2nonc21 ZINC001237941129 1043446419 /nfs/dbraw/zinc/44/64/19/1043446419.db2.gz LZKZGCNOEMUTKZ-AWEZNQCLSA-N 1 2 372.450 2.566 20 10 FFCDLO COc1cc[nH+]c(N2CCN(Cc3cc(F)c(Cl)cc3O)CC2)c1 ZINC001237939929 1043446709 /nfs/dbraw/zinc/44/67/09/1043446709.db2.gz HYYHQKDRAKMLMV-UHFFFAOYSA-N 1 2 351.809 2.911 20 10 FFCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001279684284 1043463707 /nfs/dbraw/zinc/46/37/07/1043463707.db2.gz PGMPRCDUQWPRCH-RDJZCZTQSA-N 1 2 365.836 2.598 20 10 FFCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001279684284 1043463709 /nfs/dbraw/zinc/46/37/09/1043463709.db2.gz PGMPRCDUQWPRCH-RDJZCZTQSA-N 1 2 365.836 2.598 20 10 FFCDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2c(O)ccc(F)c2Cl)n(C)n1 ZINC001279685625 1043467960 /nfs/dbraw/zinc/46/79/60/1043467960.db2.gz ZUGWLMFGRJRSCE-OKILXGFUSA-N 1 2 364.852 2.685 20 10 FFCDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2c(O)ccc(F)c2Cl)n(C)n1 ZINC001279685625 1043467969 /nfs/dbraw/zinc/46/79/69/1043467969.db2.gz ZUGWLMFGRJRSCE-OKILXGFUSA-N 1 2 364.852 2.685 20 10 FFCDLO Cc1cc(C[NH+]2CC3(C2)CC[C@@H](C(=O)NC(C)(C)C)O3)ccc1N(C)C ZINC001279733216 1043550255 /nfs/dbraw/zinc/55/02/55/1043550255.db2.gz KSWXSISEWLFDCK-SFHVURJKSA-N 1 2 359.514 2.709 20 10 FFCDLO COC(=O)/C=C\c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000728566506 1046431857 /nfs/dbraw/zinc/43/18/57/1046431857.db2.gz HNAZMNMCLPGJIL-PKYBCLHXSA-N 1 2 356.382 2.819 20 10 FFCDLO CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)cc1 ZINC001309012125 1052538713 /nfs/dbraw/zinc/53/87/13/1052538713.db2.gz AOWXPRILEAAGPL-UHFFFAOYSA-N 1 2 373.522 2.561 20 10 FFCDLO CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)cc1 ZINC001309012125 1052538718 /nfs/dbraw/zinc/53/87/18/1052538718.db2.gz AOWXPRILEAAGPL-UHFFFAOYSA-N 1 2 373.522 2.561 20 10 FFCDLO Nc1ccc(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC001353539615 1056514196 /nfs/dbraw/zinc/51/41/96/1056514196.db2.gz OETIRTGJYVJSRE-DAXSKMNVSA-N 1 2 350.466 2.809 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC001300610047 1058987120 /nfs/dbraw/zinc/98/71/20/1058987120.db2.gz DZBNTWLSITYMTP-CVEARBPZSA-N 1 2 361.511 2.995 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC001300610047 1058987141 /nfs/dbraw/zinc/98/71/41/1058987141.db2.gz DZBNTWLSITYMTP-CVEARBPZSA-N 1 2 361.511 2.995 20 10 FFCDLO COc1c(N)[nH+]cnc1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000848661365 1060412975 /nfs/dbraw/zinc/41/29/75/1060412975.db2.gz BZFYCYVYUOWITI-UHFFFAOYSA-N 1 2 365.384 2.750 20 10 FFCDLO COc1c(N)nc[nH+]c1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000848661365 1060412994 /nfs/dbraw/zinc/41/29/94/1060412994.db2.gz BZFYCYVYUOWITI-UHFFFAOYSA-N 1 2 365.384 2.750 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001474510529 1065540501 /nfs/dbraw/zinc/54/05/01/1065540501.db2.gz KPXQGPYAZZUERB-UONOGXRCSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001474510529 1065540515 /nfs/dbraw/zinc/54/05/15/1065540515.db2.gz KPXQGPYAZZUERB-UONOGXRCSA-N 1 2 370.396 2.540 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589953352 1080899835 /nfs/dbraw/zinc/89/98/35/1080899835.db2.gz FNPXASHEQRHILA-CHWSQXEVSA-N 1 2 368.416 2.641 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589958462 1080903455 /nfs/dbraw/zinc/90/34/55/1080903455.db2.gz YTVCBVQILMKTKL-OCCSQVGLSA-N 1 2 368.416 2.641 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589962156 1080905740 /nfs/dbraw/zinc/90/57/40/1080905740.db2.gz HCLBWWGDNUVMRP-CWSCBRNRSA-N 1 2 371.363 2.723 20 10 FFCDLO C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589963336 1080906754 /nfs/dbraw/zinc/90/67/54/1080906754.db2.gz WHKQUMLNWXHJRX-OPQQBVKSSA-N 1 2 371.363 2.723 20 10 FFCDLO COc1ccc(N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)cc1F ZINC000122114978 508483827 /nfs/dbraw/zinc/48/38/27/508483827.db2.gz BGBYOZGTOVLRCU-UHFFFAOYSA-N 1 2 372.366 2.915 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)c(C)n1-c1ccccc1C ZINC000153582005 508602460 /nfs/dbraw/zinc/60/24/60/508602460.db2.gz GYSZQJXYJZEQRL-UHFFFAOYSA-N 1 2 368.481 2.672 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCCN(C(N)=O)CC2)c(C)n1-c1ccccc1C ZINC000153582005 508602461 /nfs/dbraw/zinc/60/24/61/508602461.db2.gz GYSZQJXYJZEQRL-UHFFFAOYSA-N 1 2 368.481 2.672 20 10 FFCDLO Oc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000188667193 509201828 /nfs/dbraw/zinc/20/18/28/509201828.db2.gz DYWHCQKCTHHFGY-UHFFFAOYSA-N 1 2 362.352 2.724 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000180670334 510046549 /nfs/dbraw/zinc/04/65/49/510046549.db2.gz PPKYKKIUIUVUAK-FNORWQNLSA-N 1 2 353.422 2.813 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000180682135 510052980 /nfs/dbraw/zinc/05/29/80/510052980.db2.gz VLBKSGLDCDYJDM-SOFGYWHQSA-N 1 2 354.406 2.582 20 10 FFCDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000184831967 510536424 /nfs/dbraw/zinc/53/64/24/510536424.db2.gz GAQHNLRQZNOILG-GOSISDBHSA-N 1 2 359.470 2.502 20 10 FFCDLO COc1c(O)c(C[NH2+][C@H]2COc3cc(F)cc(F)c32)ccc1[N+](=O)[O-] ZINC000364469708 510883675 /nfs/dbraw/zinc/88/36/75/510883675.db2.gz YSDOEOQTMSRXKR-NSHDSACASA-N 1 2 352.293 2.811 20 10 FFCDLO C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000276656403 510944286 /nfs/dbraw/zinc/94/42/86/510944286.db2.gz XKUDTZCSVNNRRF-BBRMVZONSA-N 1 2 366.339 2.690 20 10 FFCDLO C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000276656403 510944289 /nfs/dbraw/zinc/94/42/89/510944289.db2.gz XKUDTZCSVNNRRF-BBRMVZONSA-N 1 2 366.339 2.690 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)ccc21 ZINC000361279420 511025907 /nfs/dbraw/zinc/02/59/07/511025907.db2.gz XJDMBISUBMXZQD-INIZCTEOSA-N 1 2 366.465 2.915 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)ccc21 ZINC000361279420 511025911 /nfs/dbraw/zinc/02/59/11/511025911.db2.gz XJDMBISUBMXZQD-INIZCTEOSA-N 1 2 366.465 2.915 20 10 FFCDLO C[C@H](CO)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000289477624 511102185 /nfs/dbraw/zinc/10/21/85/511102185.db2.gz QDGUIBHDQRJYEI-SSDOTTSWSA-N 1 2 353.054 2.730 20 10 FFCDLO C[C@H](CO)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000289477624 511102191 /nfs/dbraw/zinc/10/21/91/511102191.db2.gz QDGUIBHDQRJYEI-SSDOTTSWSA-N 1 2 353.054 2.730 20 10 FFCDLO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000283001589 511194873 /nfs/dbraw/zinc/19/48/73/511194873.db2.gz KURIBEOGXGJXEP-OAHLLOKOSA-N 1 2 360.841 2.815 20 10 FFCDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1F ZINC000365006434 511202494 /nfs/dbraw/zinc/20/24/94/511202494.db2.gz FPFPLMAFYIOVHT-QRBZPYHOSA-N 1 2 367.380 2.889 20 10 FFCDLO COC(=O)/C=C/c1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000299471894 511649603 /nfs/dbraw/zinc/64/96/03/511649603.db2.gz AMLKSWJIVMWSEX-HWKANZROSA-N 1 2 356.382 2.819 20 10 FFCDLO OCc1cn([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3O)C2)nn1 ZINC000293734585 512068197 /nfs/dbraw/zinc/06/81/97/512068197.db2.gz VDQCTRGGYYURRC-ZDUSSCGKSA-N 1 2 357.241 2.620 20 10 FFCDLO OCc1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3O)C2)nn1 ZINC000293734585 512068202 /nfs/dbraw/zinc/06/82/02/512068202.db2.gz VDQCTRGGYYURRC-ZDUSSCGKSA-N 1 2 357.241 2.620 20 10 FFCDLO Cc1nnsc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364339757 512092754 /nfs/dbraw/zinc/09/27/54/512092754.db2.gz PLFDYJSDUCPAKF-CYBMUJFWSA-N 1 2 366.874 2.600 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000376009289 512614226 /nfs/dbraw/zinc/61/42/26/512614226.db2.gz WNBTYBGXBRXQSF-MEDUHNTESA-N 1 2 372.259 2.543 20 10 FFCDLO C[C@@H]1CN=C(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)S1 ZINC000093662812 728476651 /nfs/dbraw/zinc/47/66/51/728476651.db2.gz GGZIWTKISWLTHB-LLVKDONJSA-N 1 2 370.316 2.764 20 10 FFCDLO O=C(CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1)N1CCCCCC1 ZINC000121672613 728635059 /nfs/dbraw/zinc/63/50/59/728635059.db2.gz HTQUKNNRWSLAIE-UHFFFAOYSA-N 1 2 365.905 2.566 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CCO)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000123124931 728655364 /nfs/dbraw/zinc/65/53/64/728655364.db2.gz NSTQVUPBCKNTMF-UHFFFAOYSA-N 1 2 352.381 2.802 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CCO)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000123124931 728655365 /nfs/dbraw/zinc/65/53/65/728655365.db2.gz NSTQVUPBCKNTMF-UHFFFAOYSA-N 1 2 352.381 2.802 20 10 FFCDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876642870 732264573 /nfs/dbraw/zinc/26/45/73/732264573.db2.gz OFEWXBILFJEAAD-JTQLQIEISA-N 1 2 356.394 2.511 20 10 FFCDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876642870 732264575 /nfs/dbraw/zinc/26/45/75/732264575.db2.gz OFEWXBILFJEAAD-JTQLQIEISA-N 1 2 356.394 2.511 20 10 FFCDLO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000877798924 732434372 /nfs/dbraw/zinc/43/43/72/732434372.db2.gz GDZXAOMESKDNMR-PMPSAXMXSA-N 1 2 366.889 2.677 20 10 FFCDLO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000877798924 732434376 /nfs/dbraw/zinc/43/43/76/732434376.db2.gz GDZXAOMESKDNMR-PMPSAXMXSA-N 1 2 366.889 2.677 20 10 FFCDLO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895334609 734992257 /nfs/dbraw/zinc/99/22/57/734992257.db2.gz JWLWVMREICPQNZ-LLVKDONJSA-N 1 2 371.250 2.738 20 10 FFCDLO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895334609 734992259 /nfs/dbraw/zinc/99/22/59/734992259.db2.gz JWLWVMREICPQNZ-LLVKDONJSA-N 1 2 371.250 2.738 20 10 FFCDLO O=C1N[C@@H](C2CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)CO1 ZINC000897019202 735192141 /nfs/dbraw/zinc/19/21/41/735192141.db2.gz LQRKUAIXOGGZPY-CYBMUJFWSA-N 1 2 373.222 2.614 20 10 FFCDLO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756419636 736329733 /nfs/dbraw/zinc/32/97/33/736329733.db2.gz WCNJVKJMVDPRSD-GHMZBOCLSA-N 1 2 361.255 2.665 20 10 FFCDLO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756448278 736332349 /nfs/dbraw/zinc/33/23/49/736332349.db2.gz BDBBJGJDQOPPCM-NXEZZACHSA-N 1 2 359.239 2.955 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Br)cc(F)c1O ZINC000756511145 736337587 /nfs/dbraw/zinc/33/75/87/736337587.db2.gz LXMVQYAZOYLUAJ-BXKDBHETSA-N 1 2 362.239 2.732 20 10 FFCDLO Oc1ccc(Br)cc1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000769019800 737486499 /nfs/dbraw/zinc/48/64/99/737486499.db2.gz GSQCMQZMVAGJHP-UHFFFAOYSA-N 1 2 368.300 2.929 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC000770380600 737620719 /nfs/dbraw/zinc/62/07/19/737620719.db2.gz PFMBCNCWABOMNJ-UHFFFAOYSA-N 1 2 359.495 2.534 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC000770380600 737620723 /nfs/dbraw/zinc/62/07/23/737620723.db2.gz PFMBCNCWABOMNJ-UHFFFAOYSA-N 1 2 359.495 2.534 20 10 FFCDLO OCC[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1Cl ZINC000793365012 739774420 /nfs/dbraw/zinc/77/44/20/739774420.db2.gz DRUQLUPETCDERD-UHFFFAOYSA-N 1 2 361.873 2.566 20 10 FFCDLO OCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1Cl ZINC000793365012 739774423 /nfs/dbraw/zinc/77/44/23/739774423.db2.gz DRUQLUPETCDERD-UHFFFAOYSA-N 1 2 361.873 2.566 20 10 FFCDLO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Br)cc(F)c1O ZINC000794828233 739933760 /nfs/dbraw/zinc/93/37/60/739933760.db2.gz MEQDYMGYVBWFEK-MRVPVSSYSA-N 1 2 366.252 2.522 20 10 FFCDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000795633525 740046769 /nfs/dbraw/zinc/04/67/69/740046769.db2.gz BJAUNTCQXXPKAT-CYBMUJFWSA-N 1 2 359.407 2.562 20 10 FFCDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000795633525 740046774 /nfs/dbraw/zinc/04/67/74/740046774.db2.gz BJAUNTCQXXPKAT-CYBMUJFWSA-N 1 2 359.407 2.562 20 10 FFCDLO CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)cc1[O-] ZINC000796758891 740180394 /nfs/dbraw/zinc/18/03/94/740180394.db2.gz HGDRHFZHUSIGNQ-QGZVFWFLSA-N 1 2 351.466 2.515 20 10 FFCDLO CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(Cl)c1O ZINC000806139993 741042946 /nfs/dbraw/zinc/04/29/46/741042946.db2.gz UBYKNALRJORNOI-MRXNPFEDSA-N 1 2 353.894 2.639 20 10 FFCDLO COCC[C@H](COC)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000810256630 741402342 /nfs/dbraw/zinc/40/23/42/741402342.db2.gz CMPMFVPDTZEJLO-MWLCHTKSSA-N 1 2 350.228 2.996 20 10 FFCDLO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000825327319 743249499 /nfs/dbraw/zinc/24/94/99/743249499.db2.gz SGSUSLIBVWLPBI-TZMCWYRMSA-N 1 2 366.259 2.898 20 10 FFCDLO Oc1cc(Br)ccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000825450658 743273145 /nfs/dbraw/zinc/27/31/45/743273145.db2.gz KERKAEZYZMGWIN-UHFFFAOYSA-N 1 2 362.271 2.868 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC000827962783 745007904 /nfs/dbraw/zinc/00/79/04/745007904.db2.gz SNSYBMLNLZTDGU-ACJLOTCBSA-N 1 2 358.404 2.907 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC000827962783 745007908 /nfs/dbraw/zinc/00/79/08/745007908.db2.gz SNSYBMLNLZTDGU-ACJLOTCBSA-N 1 2 358.404 2.907 20 10 FFCDLO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(Br)cc(F)c1O ZINC000840885425 747212997 /nfs/dbraw/zinc/21/29/97/747212997.db2.gz WGGHAZWJNGKBFP-MRVPVSSYSA-N 1 2 366.252 2.522 20 10 FFCDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843432771 747835291 /nfs/dbraw/zinc/83/52/91/747835291.db2.gz PPVWQAOTQNHHJG-CYBMUJFWSA-N 1 2 354.731 2.685 20 10 FFCDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843432771 747835301 /nfs/dbraw/zinc/83/53/01/747835301.db2.gz PPVWQAOTQNHHJG-CYBMUJFWSA-N 1 2 354.731 2.685 20 10 FFCDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843432772 747835524 /nfs/dbraw/zinc/83/55/24/747835524.db2.gz PPVWQAOTQNHHJG-ZDUSSCGKSA-N 1 2 354.731 2.685 20 10 FFCDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843432772 747835532 /nfs/dbraw/zinc/83/55/32/747835532.db2.gz PPVWQAOTQNHHJG-ZDUSSCGKSA-N 1 2 354.731 2.685 20 10 FFCDLO C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(F)cc(F)c1O ZINC000850557560 749387562 /nfs/dbraw/zinc/38/75/62/749387562.db2.gz QXSPTCQCDYDSRR-JCURWCKSSA-N 1 2 352.425 2.964 20 10 FFCDLO COc1cccc(C[NH+]2CCN(Cc3ccc(OC)c(OC)c3O)CC2)c1 ZINC000895787362 970949478 /nfs/dbraw/zinc/94/94/78/970949478.db2.gz KRMIJSZPTNPPDD-UHFFFAOYSA-N 1 2 372.465 2.736 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000840478852 971359512 /nfs/dbraw/zinc/35/95/12/971359512.db2.gz CAWCWNIOXCAHKB-AEFFLSMTSA-N 1 2 369.513 2.925 20 10 FFCDLO Cn1cc([C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)CC23CCOCC3)cn1 ZINC000894888664 966094233 /nfs/dbraw/zinc/09/42/33/966094233.db2.gz PCFBMVVYDILBEV-INIZCTEOSA-N 1 2 363.408 2.800 20 10 FFCDLO Cn1cc([C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)CC23CCOCC3)cn1 ZINC000894888664 966094245 /nfs/dbraw/zinc/09/42/45/966094245.db2.gz PCFBMVVYDILBEV-INIZCTEOSA-N 1 2 363.408 2.800 20 10 FFCDLO COC(=O)c1c(C[NH2+]Cc2ncccc2OC)c2cc(F)ccc2n1C ZINC000894941610 967118249 /nfs/dbraw/zinc/11/82/49/967118249.db2.gz SWMKYJDXDPZHJL-UHFFFAOYSA-N 1 2 357.385 2.797 20 10 FFCDLO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCCc2cc(O)c(O)cc2C1 ZINC001176964128 1013814806 /nfs/dbraw/zinc/81/48/06/1013814806.db2.gz FEDKUUPWLNYTRV-MRXNPFEDSA-N 1 2 367.449 2.684 20 10 FFCDLO Cc1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)c(C)n1-c1ccccc1C ZINC000898882608 976752607 /nfs/dbraw/zinc/75/26/07/976752607.db2.gz YQVZMUAJFJGIOF-QGZVFWFLSA-N 1 2 352.438 2.599 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(F)=C3CCCC3)CC2)cc1 ZINC000763029341 988982366 /nfs/dbraw/zinc/98/23/66/988982366.db2.gz KDVSDRMRFGJHCQ-UHFFFAOYSA-N 1 2 361.461 2.731 20 10 FFCDLO COc1c(O)c(C[N@@H+](CCc2ccccc2)CCN(C)C)ccc1[N+](=O)[O-] ZINC000809731240 994583513 /nfs/dbraw/zinc/58/35/13/994583513.db2.gz RKUSSGFMMUHEOE-UHFFFAOYSA-N 1 2 373.453 2.915 20 10 FFCDLO COc1c(O)c(C[N@H+](CCc2ccccc2)CCN(C)C)ccc1[N+](=O)[O-] ZINC000809731240 994583525 /nfs/dbraw/zinc/58/35/25/994583525.db2.gz RKUSSGFMMUHEOE-UHFFFAOYSA-N 1 2 373.453 2.915 20 10 FFCDLO CCOc1ccc(C[N@H+](Cc2ccccc2)[C@H](C(=O)OC)[C@@H](C)O)c(O)c1 ZINC000811509962 995171299 /nfs/dbraw/zinc/17/12/99/995171299.db2.gz NLTIJPDVGLDMNZ-QRWLVFNGSA-N 1 2 373.449 2.716 20 10 FFCDLO CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@H](C(=O)OC)[C@@H](C)O)c(O)c1 ZINC000811509962 995171302 /nfs/dbraw/zinc/17/13/02/995171302.db2.gz NLTIJPDVGLDMNZ-QRWLVFNGSA-N 1 2 373.449 2.716 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc3ccccc3c(=O)n2C)cc1 ZINC000844401782 997863102 /nfs/dbraw/zinc/86/31/02/997863102.db2.gz QRADBZFNLNIBFV-UHFFFAOYSA-N 1 2 366.465 2.510 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc3ccccc3c(=O)n2C)cc1 ZINC000844401782 997863113 /nfs/dbraw/zinc/86/31/13/997863113.db2.gz QRADBZFNLNIBFV-UHFFFAOYSA-N 1 2 366.465 2.510 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001144308032 998304893 /nfs/dbraw/zinc/30/48/93/998304893.db2.gz HPCVUIILMRMVGN-LLVKDONJSA-N 1 2 368.206 2.737 20 10 FFCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738950815 999636688 /nfs/dbraw/zinc/63/66/88/999636688.db2.gz SXTONQIRZOBXRD-UHFFFAOYSA-N 1 2 365.437 2.835 20 10 FFCDLO O=C(c1ccsc1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000768930230 1000390698 /nfs/dbraw/zinc/39/06/98/1000390698.db2.gz NQLATQNGLBRDMD-UHFFFAOYSA-N 1 2 371.506 2.543 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CC(C)(CO)CO)c(C)n1-c1ccc(C)cc1 ZINC000770523008 1000824133 /nfs/dbraw/zinc/82/41/33/1000824133.db2.gz BNPLTAUFSZTKRH-UHFFFAOYSA-N 1 2 358.482 2.508 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CC(C)(CO)CO)c(C)n1-c1ccc(C)cc1 ZINC000770523008 1000824139 /nfs/dbraw/zinc/82/41/39/1000824139.db2.gz BNPLTAUFSZTKRH-UHFFFAOYSA-N 1 2 358.482 2.508 20 10 FFCDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000771934076 1001249658 /nfs/dbraw/zinc/24/96/58/1001249658.db2.gz VKIBDPWMWHBBJT-UHFFFAOYSA-N 1 2 362.474 2.885 20 10 FFCDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000771934076 1001249664 /nfs/dbraw/zinc/24/96/64/1001249664.db2.gz VKIBDPWMWHBBJT-UHFFFAOYSA-N 1 2 362.474 2.885 20 10 FFCDLO O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001276191757 1016501644 /nfs/dbraw/zinc/50/16/44/1016501644.db2.gz SLPGJYDZFHIUJK-HNNXBMFYSA-N 1 2 364.314 2.800 20 10 FFCDLO O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001276191757 1016501659 /nfs/dbraw/zinc/50/16/59/1016501659.db2.gz SLPGJYDZFHIUJK-HNNXBMFYSA-N 1 2 364.314 2.800 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N(CC3CC3)C(C)C)cc12 ZINC001184360487 1002567528 /nfs/dbraw/zinc/56/75/28/1002567528.db2.gz ZJCYFZIZDLDHNL-UHFFFAOYSA-N 1 2 372.465 2.886 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N(CC3CC3)C(C)C)cc12 ZINC001184360487 1002567538 /nfs/dbraw/zinc/56/75/38/1002567538.db2.gz ZJCYFZIZDLDHNL-UHFFFAOYSA-N 1 2 372.465 2.886 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3cc(C4CC4)no3)CC2)cc(OC)c1OC ZINC000851936694 1005924562 /nfs/dbraw/zinc/92/45/62/1005924562.db2.gz UKDRRFJMESGFDU-UHFFFAOYSA-N 1 2 373.453 2.900 20 10 FFCDLO O=C(C[N@H+]1CCC(CO)(CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852629192 1006113206 /nfs/dbraw/zinc/11/32/06/1006113206.db2.gz FYUHZCPVKVBFQO-UHFFFAOYSA-N 1 2 368.437 2.717 20 10 FFCDLO O=C(C[N@@H+]1CCC(CO)(CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852629192 1006113213 /nfs/dbraw/zinc/11/32/13/1006113213.db2.gz FYUHZCPVKVBFQO-UHFFFAOYSA-N 1 2 368.437 2.717 20 10 FFCDLO COc1ncc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC001206437993 1032283051 /nfs/dbraw/zinc/28/30/51/1032283051.db2.gz IXAQSOMYSAXFPU-UHFFFAOYSA-N 1 2 368.359 2.706 20 10 FFCDLO CCOCc1cc(C[NH2+]C(c2ccnn2C)c2ccnn2C)ccc1OC ZINC000858322077 1008346033 /nfs/dbraw/zinc/34/60/33/1008346033.db2.gz RFJHFJVOBZLORC-UHFFFAOYSA-N 1 2 369.469 2.578 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000821066422 1008412209 /nfs/dbraw/zinc/41/22/09/1008412209.db2.gz YAEQMKHZPQPOBP-LIRRHRJNSA-N 1 2 370.449 2.861 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000821066422 1008412212 /nfs/dbraw/zinc/41/22/12/1008412212.db2.gz YAEQMKHZPQPOBP-LIRRHRJNSA-N 1 2 370.449 2.861 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000860979793 1009221513 /nfs/dbraw/zinc/22/15/13/1009221513.db2.gz DBNCDHPYAQUWCL-KRWDZBQOSA-N 1 2 362.433 2.848 20 10 FFCDLO Cc1cc(NCCNC(=O)/C=C/c2ccc(O)c(O)c2)nc(C(C)C)[nH+]1 ZINC000862860724 1010020466 /nfs/dbraw/zinc/02/04/66/1010020466.db2.gz MFLJZCGOAPZDPZ-FNORWQNLSA-N 1 2 356.426 2.561 20 10 FFCDLO CCOCc1cc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)ccc1OC ZINC000865686474 1010842440 /nfs/dbraw/zinc/84/24/40/1010842440.db2.gz CGUBHUCNZWPYCG-UHFFFAOYSA-N 1 2 360.458 2.534 20 10 FFCDLO Cc1cccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)n1 ZINC001217056234 1032599403 /nfs/dbraw/zinc/59/94/03/1032599403.db2.gz ICKJJVVVIIBNRB-UHFFFAOYSA-N 1 2 352.394 2.645 20 10 FFCDLO Cc1ncccc1-c1noc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC001217055866 1032599686 /nfs/dbraw/zinc/59/96/86/1032599686.db2.gz BSTVWFRPTORFDX-UHFFFAOYSA-N 1 2 352.394 2.645 20 10 FFCDLO Cc1ccc(C[N@@H+]2C[C@]3(F)CN(CC4CCCC4)C(=O)[C@]3(F)C2)c(O)c1 ZINC001275387827 1012409047 /nfs/dbraw/zinc/40/90/47/1012409047.db2.gz KCQHBENZYVDAPB-VQTJNVASSA-N 1 2 364.436 2.965 20 10 FFCDLO Cc1ccc(C[N@H+]2C[C@]3(F)CN(CC4CCCC4)C(=O)[C@]3(F)C2)c(O)c1 ZINC001275387827 1012409057 /nfs/dbraw/zinc/40/90/57/1012409057.db2.gz KCQHBENZYVDAPB-VQTJNVASSA-N 1 2 364.436 2.965 20 10 FFCDLO CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000828427742 1032699020 /nfs/dbraw/zinc/69/90/20/1032699020.db2.gz DIDJRKUJZMZTEO-OAHLLOKOSA-N 1 2 358.413 2.974 20 10 FFCDLO Cc1nc(N[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]2C)cc[nH+]1 ZINC001043225186 1019257515 /nfs/dbraw/zinc/25/75/15/1019257515.db2.gz CCTUKXCDCBOMJF-IAQYHMDHSA-N 1 2 367.413 2.520 20 10 FFCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929537308 1019490176 /nfs/dbraw/zinc/49/01/76/1019490176.db2.gz LXFPGFPHNWRAKK-UHFFFAOYSA-N 1 2 350.422 2.672 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)c1 ZINC000756403158 1023705092 /nfs/dbraw/zinc/70/50/92/1023705092.db2.gz OPPFRIUNKZZKBG-ZDUSSCGKSA-N 1 2 352.394 2.610 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000756571380 1023729547 /nfs/dbraw/zinc/72/95/47/1023729547.db2.gz ZEENJMYZHOHTHR-AAEUAGOBSA-N 1 2 361.392 2.699 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cc(O)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001141158293 1025539318 /nfs/dbraw/zinc/53/93/18/1025539318.db2.gz XOWSMZASIYADSI-INIZCTEOSA-N 1 2 357.454 2.840 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001141158293 1025539332 /nfs/dbraw/zinc/53/93/32/1025539332.db2.gz XOWSMZASIYADSI-INIZCTEOSA-N 1 2 357.454 2.840 20 10 FFCDLO O=C1NCC[C@]12CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141367595 1026043737 /nfs/dbraw/zinc/04/37/37/1026043737.db2.gz HHEUUWHJOWESQS-CQSZACIVSA-N 1 2 359.651 2.520 20 10 FFCDLO O=C1NCC[C@]12CC[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141367595 1026043758 /nfs/dbraw/zinc/04/37/58/1026043758.db2.gz HHEUUWHJOWESQS-CQSZACIVSA-N 1 2 359.651 2.520 20 10 FFCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)Cc2ccccc2O1 ZINC000795413897 1026069389 /nfs/dbraw/zinc/06/93/89/1026069389.db2.gz ACTOXETVRXNNMQ-MRXNPFEDSA-N 1 2 353.466 2.652 20 10 FFCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)Cc2ccccc2O1 ZINC000795413897 1026069406 /nfs/dbraw/zinc/06/94/06/1026069406.db2.gz ACTOXETVRXNNMQ-MRXNPFEDSA-N 1 2 353.466 2.652 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1OC ZINC000839145678 1026604021 /nfs/dbraw/zinc/60/40/21/1026604021.db2.gz PVQSAWWBGFRGBQ-UHFFFAOYSA-N 1 2 360.366 2.581 20 10 FFCDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(N(C)C)c(F)c3)[nH+]cn2)C1 ZINC000840251975 1027020369 /nfs/dbraw/zinc/02/03/69/1027020369.db2.gz SHXBJTITDATUNC-HIFRSBDPSA-N 1 2 359.449 2.501 20 10 FFCDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(N(C)C)c(F)c3)nc[nH+]2)C1 ZINC000840251975 1027020376 /nfs/dbraw/zinc/02/03/76/1027020376.db2.gz SHXBJTITDATUNC-HIFRSBDPSA-N 1 2 359.449 2.501 20 10 FFCDLO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)c1 ZINC000092185870 1027242215 /nfs/dbraw/zinc/24/22/15/1027242215.db2.gz GHZCGEYQEBXHQK-UHFFFAOYSA-N 1 2 358.438 2.959 20 10 FFCDLO Nc1ccc(CNc2cc(N3CCN(c4ccccc4)CC3)nc[nH+]2)cc1 ZINC001162787828 1028655878 /nfs/dbraw/zinc/65/58/78/1028655878.db2.gz RSCQUPZRBKSFQA-UHFFFAOYSA-N 1 2 360.465 2.998 20 10 FFCDLO Nc1ccc(CNc2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)cc1 ZINC001162787828 1028655882 /nfs/dbraw/zinc/65/58/82/1028655882.db2.gz RSCQUPZRBKSFQA-UHFFFAOYSA-N 1 2 360.465 2.998 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)cc1 ZINC001203932736 1030992017 /nfs/dbraw/zinc/99/20/17/1030992017.db2.gz BCYQSBPCQQYNPB-UHFFFAOYSA-N 1 2 354.454 2.535 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)cc1 ZINC001203932736 1030992024 /nfs/dbraw/zinc/99/20/24/1030992024.db2.gz BCYQSBPCQQYNPB-UHFFFAOYSA-N 1 2 354.454 2.535 20 10 FFCDLO COc1cc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc(O)c1O ZINC001204341875 1031236967 /nfs/dbraw/zinc/23/69/67/1031236967.db2.gz HBPVVNWOMVWOCE-UHFFFAOYSA-N 1 2 355.394 2.570 20 10 FFCDLO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218920567 1033409723 /nfs/dbraw/zinc/40/97/23/1033409723.db2.gz XBWQUUDAFLCQIW-KRWDZBQOSA-N 1 2 366.417 2.740 20 10 FFCDLO O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)c1cccc(O)c1O ZINC001219461075 1033656432 /nfs/dbraw/zinc/65/64/32/1033656432.db2.gz FXWCRVVRQCSESU-OAHLLOKOSA-N 1 2 364.348 2.726 20 10 FFCDLO CCn1nnc2c1CC[N@H+](Cc1c(C)n(C)c3ccccc31)[C@@H]2COC ZINC001138253974 1034021776 /nfs/dbraw/zinc/02/17/76/1034021776.db2.gz MMWKFFWGCAOQDU-LJQANCHMSA-N 1 2 353.470 2.844 20 10 FFCDLO CCn1nnc2c1CC[N@@H+](Cc1c(C)n(C)c3ccccc31)[C@@H]2COC ZINC001138253974 1034021791 /nfs/dbraw/zinc/02/17/91/1034021791.db2.gz MMWKFFWGCAOQDU-LJQANCHMSA-N 1 2 353.470 2.844 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001277098527 1034524988 /nfs/dbraw/zinc/52/49/88/1034524988.db2.gz SBFGFYMNYALYLC-BLVKFPJESA-N 1 2 366.408 2.605 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(F)c1F ZINC001277098527 1034525000 /nfs/dbraw/zinc/52/50/00/1034525000.db2.gz SBFGFYMNYALYLC-BLVKFPJESA-N 1 2 366.408 2.605 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cccc4ccnn43)CC2)c(OC)c1 ZINC001138810448 1034698107 /nfs/dbraw/zinc/69/81/07/1034698107.db2.gz UXURRVVRRSZDMP-UHFFFAOYSA-N 1 2 352.438 2.674 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(c2cccnc2)CC1 ZINC001139126599 1034956836 /nfs/dbraw/zinc/95/68/36/1034956836.db2.gz LUPCDBLIWZNISN-UHFFFAOYSA-N 1 2 351.406 2.524 20 10 FFCDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)o1 ZINC001139131024 1034961327 /nfs/dbraw/zinc/96/13/27/1034961327.db2.gz LVYCARPSNDBQNF-CYBMUJFWSA-N 1 2 355.394 2.878 20 10 FFCDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)o1 ZINC001139131024 1034961335 /nfs/dbraw/zinc/96/13/35/1034961335.db2.gz LVYCARPSNDBQNF-CYBMUJFWSA-N 1 2 355.394 2.878 20 10 FFCDLO Oc1cc(Cl)ccc1C[N@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001140464911 1035485087 /nfs/dbraw/zinc/48/50/87/1035485087.db2.gz DPNFNOUJIQCODM-CQSZACIVSA-N 1 2 357.845 2.771 20 10 FFCDLO Oc1cc(Cl)ccc1C[N@@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001140464911 1035485090 /nfs/dbraw/zinc/48/50/90/1035485090.db2.gz DPNFNOUJIQCODM-CQSZACIVSA-N 1 2 357.845 2.771 20 10 FFCDLO CN(C(=O)CN1CC[NH+](Cc2ccc(Cl)cc2O)CC1)c1ccccc1 ZINC001140466078 1035485473 /nfs/dbraw/zinc/48/54/73/1035485473.db2.gz WKJWSMYQZXNGQT-UHFFFAOYSA-N 1 2 373.884 2.826 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)cc1Cl ZINC001232263913 1035536094 /nfs/dbraw/zinc/53/60/94/1035536094.db2.gz BVDSBUZXPRXXKA-UHFFFAOYSA-N 1 2 362.861 2.783 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H]2CCC[N@H+](C)CC2)c1O ZINC001227493062 1035580262 /nfs/dbraw/zinc/58/02/62/1035580262.db2.gz CTAYDIWNVONZHH-LLVKDONJSA-N 1 2 371.455 2.670 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H]2CCC[N@@H+](C)CC2)c1O ZINC001227493062 1035580274 /nfs/dbraw/zinc/58/02/74/1035580274.db2.gz CTAYDIWNVONZHH-LLVKDONJSA-N 1 2 371.455 2.670 20 10 FFCDLO Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(OC3CC[NH+](C)CC3)c1C2=O ZINC001227994241 1035859918 /nfs/dbraw/zinc/85/99/18/1035859918.db2.gz KLIWNYMKGYRBBS-UHFFFAOYSA-N 1 2 367.401 2.655 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001233031770 1036270131 /nfs/dbraw/zinc/27/01/31/1036270131.db2.gz LSMPRKAZYPPFKI-UHFFFAOYSA-N 1 2 361.230 2.912 20 10 FFCDLO COc1cnc(N2CC[NH+](Cc3ccc(N(C)C)cc3Cl)CC2)nc1 ZINC001140926821 1036466271 /nfs/dbraw/zinc/46/62/71/1036466271.db2.gz WLRCNYUQAAXLFL-UHFFFAOYSA-N 1 2 361.877 2.527 20 10 FFCDLO CCOC(=O)c1c(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c2ccccc2n1C ZINC001233272266 1036477987 /nfs/dbraw/zinc/47/79/87/1036477987.db2.gz DZNRSOVXUDKGJE-AWEZNQCLSA-N 1 2 359.445 2.583 20 10 FFCDLO CCOC(=O)c1c(CN2CC([N@H+]3CC[C@H](F)C3)C2)c2ccccc2n1C ZINC001233272266 1036477994 /nfs/dbraw/zinc/47/79/94/1036477994.db2.gz DZNRSOVXUDKGJE-AWEZNQCLSA-N 1 2 359.445 2.583 20 10 FFCDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@]2(C)C(=O)OC)c2ccccc2n1C ZINC001233270374 1036478540 /nfs/dbraw/zinc/47/85/40/1036478540.db2.gz LMILBTHIAXDOCB-HXUWFJFHSA-N 1 2 358.438 2.883 20 10 FFCDLO CCOC(=O)c1c(C[N@H+]2CCC[C@]2(C)C(=O)OC)c2ccccc2n1C ZINC001233270374 1036478547 /nfs/dbraw/zinc/47/85/47/1036478547.db2.gz LMILBTHIAXDOCB-HXUWFJFHSA-N 1 2 358.438 2.883 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCN(CCc3ccccn3)CC2)c1O ZINC001233289615 1036494735 /nfs/dbraw/zinc/49/47/35/1036494735.db2.gz DEGXXSPNYQJTSZ-UHFFFAOYSA-N 1 2 361.873 2.810 20 10 FFCDLO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)C1=O ZINC001277386805 1036669022 /nfs/dbraw/zinc/66/90/22/1036669022.db2.gz BQIKDUZNMHLEGN-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO COCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)C1=O ZINC001277386805 1036669027 /nfs/dbraw/zinc/66/90/27/1036669027.db2.gz BQIKDUZNMHLEGN-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO COc1c(C)c(O[C@H]2CC[N@H+](C)C2)cc2c1C(=O)c1ccccc1C2=O ZINC001229457067 1036686281 /nfs/dbraw/zinc/68/62/81/1036686281.db2.gz VRAKJVIRPYXTBC-ZDUSSCGKSA-N 1 2 351.402 2.862 20 10 FFCDLO COc1c(C)c(O[C@H]2CC[N@@H+](C)C2)cc2c1C(=O)c1ccccc1C2=O ZINC001229457067 1036686287 /nfs/dbraw/zinc/68/62/87/1036686287.db2.gz VRAKJVIRPYXTBC-ZDUSSCGKSA-N 1 2 351.402 2.862 20 10 FFCDLO CC[C@@H](C)N1CC2(C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)OCC1=O ZINC001277399140 1036748231 /nfs/dbraw/zinc/74/82/31/1036748231.db2.gz QLLMQXOXOCKCSZ-OAHLLOKOSA-N 1 2 360.498 2.901 20 10 FFCDLO COCCCN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277510875 1037552919 /nfs/dbraw/zinc/55/29/19/1037552919.db2.gz RYGLXBYLTAJJRI-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO COCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277510875 1037552925 /nfs/dbraw/zinc/55/29/25/1037552925.db2.gz RYGLXBYLTAJJRI-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)n1 ZINC001231428013 1037574871 /nfs/dbraw/zinc/57/48/71/1037574871.db2.gz PMNNTKGWNXGMMH-UHFFFAOYSA-N 1 2 355.438 2.507 20 10 FFCDLO CC(C)c1ccc(C[NH+]2CC3(C2)CN(C2CCCC2)C(=O)CO3)c(O)c1 ZINC001277964837 1037711117 /nfs/dbraw/zinc/71/11/17/1037711117.db2.gz GHUPEHBPXKZHGP-UHFFFAOYSA-N 1 2 358.482 2.871 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCn2ncc(Br)c2C1 ZINC001231857198 1037953476 /nfs/dbraw/zinc/95/34/76/1037953476.db2.gz YWXSTKPKKUUXSF-UHFFFAOYSA-N 1 2 365.275 2.736 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCn2ncc(Br)c2C1 ZINC001231857198 1037953491 /nfs/dbraw/zinc/95/34/91/1037953491.db2.gz YWXSTKPKKUUXSF-UHFFFAOYSA-N 1 2 365.275 2.736 20 10 FFCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC001231910297 1038000479 /nfs/dbraw/zinc/00/04/79/1038000479.db2.gz MSSRMPQLEFKYPU-MAUKXSAKSA-N 1 2 362.857 2.971 20 10 FFCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC001231910297 1038000502 /nfs/dbraw/zinc/00/05/02/1038000502.db2.gz MSSRMPQLEFKYPU-MAUKXSAKSA-N 1 2 362.857 2.971 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC(C)(NC(=O)OC(C)(C)C)C2)cc1OC ZINC001236751899 1038238548 /nfs/dbraw/zinc/23/85/48/1038238548.db2.gz MGQCDAJIOALIDV-UHFFFAOYSA-N 1 2 352.431 2.508 20 10 FFCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236789274 1038270900 /nfs/dbraw/zinc/27/09/00/1038270900.db2.gz NLSSMYNHRMTRQV-SFHVURJKSA-N 1 2 371.433 2.735 20 10 FFCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236789274 1038270902 /nfs/dbraw/zinc/27/09/02/1038270902.db2.gz NLSSMYNHRMTRQV-SFHVURJKSA-N 1 2 371.433 2.735 20 10 FFCDLO CN1CC[NH+](C2CCN(Cc3cc(Cl)c(Cl)cc3O)CC2)CC1 ZINC001236795133 1038274716 /nfs/dbraw/zinc/27/47/16/1038274716.db2.gz AZPMEJHOLPAKMI-UHFFFAOYSA-N 1 2 358.313 2.911 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236795403 1038275223 /nfs/dbraw/zinc/27/52/23/1038275223.db2.gz KNFPJRGABWZXCF-CYBMUJFWSA-N 1 2 365.861 2.924 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236795403 1038275225 /nfs/dbraw/zinc/27/52/25/1038275225.db2.gz KNFPJRGABWZXCF-CYBMUJFWSA-N 1 2 365.861 2.924 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c(O)c1Cl ZINC001236808684 1038280930 /nfs/dbraw/zinc/28/09/30/1038280930.db2.gz ICKNQAIPEINOHD-LBPRGKRZSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c(O)c1Cl ZINC001236808684 1038280953 /nfs/dbraw/zinc/28/09/53/1038280953.db2.gz ICKNQAIPEINOHD-LBPRGKRZSA-N 1 2 353.781 2.637 20 10 FFCDLO COCC[N@H+](Cc1ccc(OC)c(Cl)c1O)C1CCN(C(C)=O)CC1 ZINC001236813909 1038288272 /nfs/dbraw/zinc/28/82/72/1038288272.db2.gz RLJTXENLVCYLNA-UHFFFAOYSA-N 1 2 370.877 2.514 20 10 FFCDLO COCC[N@@H+](Cc1ccc(OC)c(Cl)c1O)C1CCN(C(C)=O)CC1 ZINC001236813909 1038288276 /nfs/dbraw/zinc/28/82/76/1038288276.db2.gz RLJTXENLVCYLNA-UHFFFAOYSA-N 1 2 370.877 2.514 20 10 FFCDLO Cc1cc(O)c(C[N@@H+]2CCN[C@@H](C(F)(F)F)C2)cc1Br ZINC001236997346 1038402739 /nfs/dbraw/zinc/40/27/39/1038402739.db2.gz UITLZSXGGQSJQL-GFCCVEGCSA-N 1 2 353.182 2.799 20 10 FFCDLO Cc1cc(O)c(C[N@H+]2CCN[C@@H](C(F)(F)F)C2)cc1Br ZINC001236997346 1038402747 /nfs/dbraw/zinc/40/27/47/1038402747.db2.gz UITLZSXGGQSJQL-GFCCVEGCSA-N 1 2 353.182 2.799 20 10 FFCDLO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4c(O)ccc(F)c4Cl)C[C@H]3O2)n1 ZINC001237121147 1038449639 /nfs/dbraw/zinc/44/96/39/1038449639.db2.gz KIKROEMPYDQXMM-ZIBATOQPSA-N 1 2 367.808 2.708 20 10 FFCDLO CN(C)c1ccc2[nH]c(-c3ccc(N4CCS(=O)(=O)CC4)cc3)[nH+]c2c1 ZINC001251554653 1039177855 /nfs/dbraw/zinc/17/78/55/1039177855.db2.gz WTVHETOEWJDVPY-UHFFFAOYSA-N 1 2 370.478 2.531 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CF)cc1I ZINC001248477037 1040293581 /nfs/dbraw/zinc/29/35/81/1040293581.db2.gz WUYADGVECWWNER-SNVBAGLBSA-N 1 2 365.186 2.939 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]2CF)cc1I ZINC001248477037 1040293597 /nfs/dbraw/zinc/29/35/97/1040293597.db2.gz WUYADGVECWWNER-SNVBAGLBSA-N 1 2 365.186 2.939 20 10 FFCDLO Oc1cccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1O ZINC001215145791 1041679068 /nfs/dbraw/zinc/67/90/68/1041679068.db2.gz JJJFZKFUHGCFNG-UHFFFAOYSA-N 1 2 353.378 2.647 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CC3(CN(Cc4cccc(=O)[nH]4)C3)C2)c(Cl)c1 ZINC001279333891 1043007873 /nfs/dbraw/zinc/00/78/73/1043007873.db2.gz RMEVHADEARPWCZ-UHFFFAOYSA-N 1 2 372.900 2.824 20 10 FFCDLO CN(C)c1ccc(CN2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)c(Cl)c1 ZINC001279333891 1043007876 /nfs/dbraw/zinc/00/78/76/1043007876.db2.gz RMEVHADEARPWCZ-UHFFFAOYSA-N 1 2 372.900 2.824 20 10 FFCDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc(Cl)c(C)cc2O)n(C)n1 ZINC001279433408 1043107577 /nfs/dbraw/zinc/10/75/77/1043107577.db2.gz SWGBWXDZDDKXJJ-CALCHBBNSA-N 1 2 360.889 2.855 20 10 FFCDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cc(Cl)c(C)cc2O)n(C)n1 ZINC001279433408 1043107581 /nfs/dbraw/zinc/10/75/81/1043107581.db2.gz SWGBWXDZDDKXJJ-CALCHBBNSA-N 1 2 360.889 2.855 20 10 FFCDLO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4cccc(Cl)c4O)[C@@H]3C2)n(C)n1 ZINC001279442417 1043116894 /nfs/dbraw/zinc/11/68/94/1043116894.db2.gz QMKUJJAHUHZYBS-KBXCAEBGSA-N 1 2 360.889 2.794 20 10 FFCDLO Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4cccc(Cl)c4O)[C@@H]3C2)n(C)n1 ZINC001279442417 1043116903 /nfs/dbraw/zinc/11/69/03/1043116903.db2.gz QMKUJJAHUHZYBS-KBXCAEBGSA-N 1 2 360.889 2.794 20 10 FFCDLO O=c1cccc(CN2C[C@@H]3CC[N@@H+](Cc4cccc(Cl)c4O)[C@@H]3C2)[nH]1 ZINC001279443089 1043119085 /nfs/dbraw/zinc/11/90/85/1043119085.db2.gz WPYMNKXHWAKTNA-SUMWQHHRSA-N 1 2 359.857 2.853 20 10 FFCDLO O=c1cccc(CN2C[C@@H]3CC[N@H+](Cc4cccc(Cl)c4O)[C@@H]3C2)[nH]1 ZINC001279443089 1043119092 /nfs/dbraw/zinc/11/90/92/1043119092.db2.gz WPYMNKXHWAKTNA-SUMWQHHRSA-N 1 2 359.857 2.853 20 10 FFCDLO C[N@H+](Cc1cccc(I)c1O)[C@H]1CC[C@H](O)CC1 ZINC001237778237 1043353284 /nfs/dbraw/zinc/35/32/84/1043353284.db2.gz VBVUZFAXMAXHBG-HAQNSBGRSA-N 1 2 361.223 2.732 20 10 FFCDLO C[N@@H+](Cc1cccc(I)c1O)[C@H]1CC[C@H](O)CC1 ZINC001237778237 1043353297 /nfs/dbraw/zinc/35/32/97/1043353297.db2.gz VBVUZFAXMAXHBG-HAQNSBGRSA-N 1 2 361.223 2.732 20 10 FFCDLO O=C(C1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1)N1CCC(=O)CC1 ZINC001237937716 1043443921 /nfs/dbraw/zinc/44/39/21/1043443921.db2.gz UGEAARXLUARUMA-UHFFFAOYSA-N 1 2 368.836 2.588 20 10 FFCDLO CCOc1ccc(N2C[C@@H]3OCC[N@H+](Cc4scnc4C)[C@H]3C2)cc1 ZINC001279732518 1043549364 /nfs/dbraw/zinc/54/93/64/1043549364.db2.gz FUPACMONXGDOAX-ROUUACIJSA-N 1 2 359.495 2.940 20 10 FFCDLO CCOc1ccc(N2C[C@@H]3OCC[N@@H+](Cc4scnc4C)[C@H]3C2)cc1 ZINC001279732518 1043549373 /nfs/dbraw/zinc/54/93/73/1043549373.db2.gz FUPACMONXGDOAX-ROUUACIJSA-N 1 2 359.495 2.940 20 10 FFCDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+]3Cc2cc(F)cc(C)c2O)CCC1 ZINC001280034088 1044111672 /nfs/dbraw/zinc/11/16/72/1044111672.db2.gz VVSZSIKNWXHGKQ-CALCHBBNSA-N 1 2 362.445 2.584 20 10 FFCDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2cc(F)cc(C)c2O)CCC1 ZINC001280034088 1044111676 /nfs/dbraw/zinc/11/16/76/1044111676.db2.gz VVSZSIKNWXHGKQ-CALCHBBNSA-N 1 2 362.445 2.584 20 10 FFCDLO C[C@H]1C[NH+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H]1C ZINC001307492764 1052313949 /nfs/dbraw/zinc/31/39/49/1052313949.db2.gz OTFIMTIBTBFACV-KBPBESRZSA-N 1 2 362.429 2.988 20 10 FFCDLO Cc1cc(CNS(=O)(=O)CCn2cc[nH+]c2)c(C)n1-c1cccc(C)c1 ZINC001475566969 1061142663 /nfs/dbraw/zinc/14/26/63/1061142663.db2.gz QMAXJVWIGHMQAX-UHFFFAOYSA-N 1 2 372.494 2.719 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC001463073021 1061924530 /nfs/dbraw/zinc/92/45/30/1061924530.db2.gz TYJFJEORRYXXKW-UHFFFAOYSA-N 1 2 373.522 2.527 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC001463073021 1061924547 /nfs/dbraw/zinc/92/45/47/1061924547.db2.gz TYJFJEORRYXXKW-UHFFFAOYSA-N 1 2 373.522 2.527 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@H](O)C1 ZINC001560565268 1076280243 /nfs/dbraw/zinc/28/02/43/1076280243.db2.gz YGTBEYUWISRPLB-UONOGXRCSA-N 1 2 374.840 2.645 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589962158 1080905776 /nfs/dbraw/zinc/90/57/76/1080905776.db2.gz HCLBWWGDNUVMRP-KWBADKCTSA-N 1 2 371.363 2.723 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cccc(-c2nn[nH]n2)c1O ZINC001589965884 1080908755 /nfs/dbraw/zinc/90/87/55/1080908755.db2.gz RIEVAIVAWVYBTC-KBMXLJTQSA-N 1 2 365.437 2.796 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589973614 1080914196 /nfs/dbraw/zinc/91/41/96/1080914196.db2.gz ILFBUIRTUQSEDJ-RWMBFGLXSA-N 1 2 373.457 2.733 20 10 FFCDLO COc1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c(O)c1 ZINC000377073962 512110718 /nfs/dbraw/zinc/11/07/18/512110718.db2.gz QPKKTVVEYDDCID-UHFFFAOYSA-N 1 2 352.394 2.586 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccnn3C(C)C)CC2)cc1 ZINC000039561368 506453705 /nfs/dbraw/zinc/45/37/05/506453705.db2.gz QPOSEDVTRJPBOU-INIZCTEOSA-N 1 2 371.485 2.622 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCCn1cc[nH+]c1 ZINC000080660159 508092118 /nfs/dbraw/zinc/09/21/18/508092118.db2.gz MHRUASPVQRIEED-UHFFFAOYSA-N 1 2 367.247 2.583 20 10 FFCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152985819 508537100 /nfs/dbraw/zinc/53/71/00/508537100.db2.gz DZEREJRNKWVDMV-GOSISDBHSA-N 1 2 367.497 2.958 20 10 FFCDLO COc1cccc(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)c1O ZINC000264267953 509423061 /nfs/dbraw/zinc/42/30/61/509423061.db2.gz UDOAYTFPBFXNBZ-UHFFFAOYSA-N 1 2 371.437 2.555 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000181217514 510307007 /nfs/dbraw/zinc/30/70/07/510307007.db2.gz CGBKPPOMTILHFM-FNORWQNLSA-N 1 2 356.397 2.595 20 10 FFCDLO COc1cccc(CNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1O ZINC000266639295 510703554 /nfs/dbraw/zinc/70/35/54/510703554.db2.gz DATOUBVWRNJWOB-UHFFFAOYSA-N 1 2 370.453 2.786 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000276907086 510950074 /nfs/dbraw/zinc/95/00/74/510950074.db2.gz OGTXLPTWSLGSIX-YVEFUNNKSA-N 1 2 373.384 2.891 20 10 FFCDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298607196 511346309 /nfs/dbraw/zinc/34/63/09/511346309.db2.gz SWCGJVRNJJOLDR-IBGZPJMESA-N 1 2 369.513 2.812 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc([N+](=O)[O-])ccc1O ZINC000273608695 511550591 /nfs/dbraw/zinc/55/05/91/511550591.db2.gz VBUGLCMXRKSQFG-GFCCVEGCSA-N 1 2 364.423 2.696 20 10 FFCDLO c1csc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2nnc[nH]2)c1 ZINC000293641661 512036711 /nfs/dbraw/zinc/03/67/11/512036711.db2.gz IBRLCZKXHGRLCB-KRWDZBQOSA-N 1 2 355.467 2.582 20 10 FFCDLO COc1cc[nH+]cc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000297170684 512046317 /nfs/dbraw/zinc/04/63/17/512046317.db2.gz BBCMIQBCTZGGNR-QGZVFWFLSA-N 1 2 371.437 2.687 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCn4c[nH+]cc4C3)ccc21 ZINC000623304603 521927131 /nfs/dbraw/zinc/92/71/31/521927131.db2.gz AYTKNMVXXQEYCP-QGZVFWFLSA-N 1 2 366.465 2.846 20 10 FFCDLO C[N@H+](Cc1nnnn1-c1ccccc1Br)Cc1ccccc1O ZINC000111235356 728535437 /nfs/dbraw/zinc/53/54/37/728535437.db2.gz ICERIWXIFTXJQF-UHFFFAOYSA-N 1 2 374.242 2.762 20 10 FFCDLO C[N@@H+](Cc1nnnn1-c1ccccc1Br)Cc1ccccc1O ZINC000111235356 728535441 /nfs/dbraw/zinc/53/54/41/728535441.db2.gz ICERIWXIFTXJQF-UHFFFAOYSA-N 1 2 374.242 2.762 20 10 FFCDLO Oc1cccc(Cl)c1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000120864688 728616350 /nfs/dbraw/zinc/61/63/50/728616350.db2.gz TYQOFILQUZVZDJ-UHFFFAOYSA-N 1 2 356.804 2.955 20 10 FFCDLO Cc1nc([C@@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)n[nH]1 ZINC000862254080 730682737 /nfs/dbraw/zinc/68/27/37/730682737.db2.gz VPYLRKKFOYDSFO-LLVKDONJSA-N 1 2 351.248 2.961 20 10 FFCDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)n[nH]1 ZINC000862254080 730682738 /nfs/dbraw/zinc/68/27/38/730682738.db2.gz VPYLRKKFOYDSFO-LLVKDONJSA-N 1 2 351.248 2.961 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862356561 730691244 /nfs/dbraw/zinc/69/12/44/730691244.db2.gz LDKOZXYAHZSXOM-LLVKDONJSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862356561 730691245 /nfs/dbraw/zinc/69/12/45/730691245.db2.gz LDKOZXYAHZSXOM-LLVKDONJSA-N 1 2 362.289 2.554 20 10 FFCDLO CN(C)c1cc(F)c(C[NH2+]Cc2c(Br)cnn2C)cc1F ZINC000865681118 730984931 /nfs/dbraw/zinc/98/49/31/730984931.db2.gz SAPSTZKSGCCFFF-UHFFFAOYSA-N 1 2 359.218 2.817 20 10 FFCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@H]1CCCOC1 ZINC000883146443 733342323 /nfs/dbraw/zinc/34/23/23/733342323.db2.gz NDKJNXQUYDEYSQ-ZANVPECISA-N 1 2 364.667 2.685 20 10 FFCDLO CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1O)[C@]1(O)CCOC1 ZINC000883152799 733343266 /nfs/dbraw/zinc/34/32/66/733343266.db2.gz HQPHVHDMMYAHTJ-HNNXBMFYSA-N 1 2 362.239 2.561 20 10 FFCDLO OC[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)Cc1ccoc1 ZINC000883272202 733357783 /nfs/dbraw/zinc/35/77/83/733357783.db2.gz GSFDMSJRVGEPIO-NSHDSACASA-N 1 2 358.207 2.828 20 10 FFCDLO CC(C)(C[NH2+]Cc1cc(Cl)cc(Br)c1O)OCCO ZINC000708124190 734362640 /nfs/dbraw/zinc/36/26/40/734362640.db2.gz CZRRRKIXAACGJR-UHFFFAOYSA-N 1 2 352.656 2.685 20 10 FFCDLO COc1ccc(C[N@H+](CCO)Cc2cc(F)cc(F)c2O)c(OC)c1 ZINC000894020323 734787519 /nfs/dbraw/zinc/78/75/19/734787519.db2.gz IQBKWDZZROVEFG-UHFFFAOYSA-N 1 2 353.365 2.682 20 10 FFCDLO COc1ccc(C[N@@H+](CCO)Cc2cc(F)cc(F)c2O)c(OC)c1 ZINC000894020323 734787521 /nfs/dbraw/zinc/78/75/21/734787521.db2.gz IQBKWDZZROVEFG-UHFFFAOYSA-N 1 2 353.365 2.682 20 10 FFCDLO NC(=O)CCC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894041919 734791918 /nfs/dbraw/zinc/79/19/18/734791918.db2.gz HMUKKUVZFVGMHP-UHFFFAOYSA-N 1 2 359.239 2.771 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000895228163 734976307 /nfs/dbraw/zinc/97/63/07/734976307.db2.gz JFBRSUALRVTPBK-JTQLQIEISA-N 1 2 371.666 2.922 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000895228163 734976310 /nfs/dbraw/zinc/97/63/10/734976310.db2.gz JFBRSUALRVTPBK-JTQLQIEISA-N 1 2 371.666 2.922 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)cc(F)c1O ZINC000756535133 736339890 /nfs/dbraw/zinc/33/98/90/736339890.db2.gz OTEPFMNRANBRSA-GHMZBOCLSA-N 1 2 361.255 2.665 20 10 FFCDLO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(Br)c(F)cc1O ZINC000756654292 736349805 /nfs/dbraw/zinc/34/98/05/736349805.db2.gz KBDFPFMADKKULQ-BMIGLBTASA-N 1 2 362.239 2.734 20 10 FFCDLO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756759561 736359524 /nfs/dbraw/zinc/35/95/24/736359524.db2.gz KXNNCXROXNVREQ-VHSXEESVSA-N 1 2 374.254 2.748 20 10 FFCDLO COCCn1cnn(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1=S ZINC000917411071 737756299 /nfs/dbraw/zinc/75/62/99/737756299.db2.gz IZTQQRKJNRZGGP-UHFFFAOYSA-N 1 2 363.531 2.995 20 10 FFCDLO COCCn1cnn(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1=S ZINC000917411071 737756304 /nfs/dbraw/zinc/75/63/04/737756304.db2.gz IZTQQRKJNRZGGP-UHFFFAOYSA-N 1 2 363.531 2.995 20 10 FFCDLO COCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775662923 738110337 /nfs/dbraw/zinc/11/03/37/738110337.db2.gz IGBUDJFPIIZSDR-UHFFFAOYSA-N 1 2 358.841 2.549 20 10 FFCDLO CC[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@]2(CCOC2)O1 ZINC000793363218 739773802 /nfs/dbraw/zinc/77/38/02/739773802.db2.gz RGKXKXDXHKVBDL-CJNGLKHVSA-N 1 2 356.260 2.925 20 10 FFCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@]2(CCOC2)O1 ZINC000793363218 739773806 /nfs/dbraw/zinc/77/38/06/739773806.db2.gz RGKXKXDXHKVBDL-CJNGLKHVSA-N 1 2 356.260 2.925 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000801734002 740646436 /nfs/dbraw/zinc/64/64/36/740646436.db2.gz PRKOASUHCYUBQA-XJKSGUPXSA-N 1 2 370.287 2.812 20 10 FFCDLO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000834880792 745918017 /nfs/dbraw/zinc/91/80/17/745918017.db2.gz QUQDFOQHYCWWMJ-GPCCPHFNSA-N 1 2 362.239 2.996 20 10 FFCDLO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000834880980 745918620 /nfs/dbraw/zinc/91/86/20/745918620.db2.gz WNIOAXNJOPYRAP-HFBDOXOYSA-N 1 2 362.239 2.996 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)cc(F)c1O ZINC000846206614 748430686 /nfs/dbraw/zinc/43/06/86/748430686.db2.gz QSZYWIXINVNLLV-VHSXEESVSA-N 1 2 371.250 2.955 20 10 FFCDLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cc(Br)ccc1O ZINC000848556859 748960223 /nfs/dbraw/zinc/96/02/23/748960223.db2.gz FICKLCKDIVLPEB-NOZJJQNGSA-N 1 2 367.247 2.975 20 10 FFCDLO Nc1nc(NCc2cc(F)c(N3CCOCC3)c(F)c2)[nH+]c2ccccc12 ZINC000840326333 971082861 /nfs/dbraw/zinc/08/28/61/971082861.db2.gz RJLYHPNABWVXDI-UHFFFAOYSA-N 1 2 371.391 2.939 20 10 FFCDLO COCC[NH+](CCOC)Cc1cc(Cl)cc(Br)c1O ZINC000708147264 967075517 /nfs/dbraw/zinc/07/55/17/967075517.db2.gz WTNNJUVVVXSORK-UHFFFAOYSA-N 1 2 352.656 2.903 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)N[C@H]3Cc4c[nH+]cn4C3)cc2)CC1 ZINC000875258695 1014003404 /nfs/dbraw/zinc/00/34/04/1014003404.db2.gz DMYCUBGKJPFNCU-KRWDZBQOSA-N 1 2 353.470 2.544 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc4onc(C)c4c3)CC2)c(OC)c1 ZINC000895453314 970622576 /nfs/dbraw/zinc/62/25/76/970622576.db2.gz BOFLRUUMWTUKRK-UHFFFAOYSA-N 1 2 368.437 2.871 20 10 FFCDLO CN(Cc1ccccc1O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000876038960 1014115825 /nfs/dbraw/zinc/11/58/25/1014115825.db2.gz VGWPWCCRGSDNGT-UHFFFAOYSA-N 1 2 372.494 2.682 20 10 FFCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001271801559 974351091 /nfs/dbraw/zinc/35/10/91/974351091.db2.gz KUQRFOWNOYVZTA-FQEVSTJZSA-N 1 2 359.470 2.754 20 10 FFCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001271801559 974351097 /nfs/dbraw/zinc/35/10/97/974351097.db2.gz KUQRFOWNOYVZTA-FQEVSTJZSA-N 1 2 359.470 2.754 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)C3CCC(C)CC3)CC2)cc1 ZINC000104886939 975244457 /nfs/dbraw/zinc/24/44/57/975244457.db2.gz SRUASKCDNVNZRW-UHFFFAOYSA-N 1 2 359.514 2.854 20 10 FFCDLO C[C@@H](C(=O)N(C)c1ccc(N)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000877077827 1014469576 /nfs/dbraw/zinc/46/95/76/1014469576.db2.gz VWXBZHGXLJBATE-HNNXBMFYSA-N 1 2 356.445 2.581 20 10 FFCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1O ZINC000175583573 991222080 /nfs/dbraw/zinc/22/20/80/991222080.db2.gz VRHMWTXONSBVDM-UHFFFAOYSA-N 1 2 373.384 2.964 20 10 FFCDLO Oc1ccc2c(c1)OCC[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000809704648 994587203 /nfs/dbraw/zinc/58/72/03/994587203.db2.gz DUTXARNBNQRWKX-UHFFFAOYSA-N 1 2 358.413 2.763 20 10 FFCDLO Oc1ccc2c(c1)OCC[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000809704648 994587216 /nfs/dbraw/zinc/58/72/16/994587216.db2.gz DUTXARNBNQRWKX-UHFFFAOYSA-N 1 2 358.413 2.763 20 10 FFCDLO OC[C@@]1(F)CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299114 998285511 /nfs/dbraw/zinc/28/55/11/998285511.db2.gz POZQCNHSYPEDQW-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO OC[C@@]1(F)CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299114 998285523 /nfs/dbraw/zinc/28/55/23/998285523.db2.gz POZQCNHSYPEDQW-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001144306879 998301127 /nfs/dbraw/zinc/30/11/27/998301127.db2.gz VGVRPFDZRHXPIR-NSHDSACASA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001144306879 998301136 /nfs/dbraw/zinc/30/11/36/998301136.db2.gz VGVRPFDZRHXPIR-NSHDSACASA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001144308841 998306495 /nfs/dbraw/zinc/30/64/95/998306495.db2.gz ZMPASAOLUZALPW-NSHDSACASA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001144308841 998306508 /nfs/dbraw/zinc/30/65/08/998306508.db2.gz ZMPASAOLUZALPW-NSHDSACASA-N 1 2 368.206 2.737 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC000738299340 999624769 /nfs/dbraw/zinc/62/47/69/999624769.db2.gz NZHHRYHEFJCYSZ-UHFFFAOYSA-N 1 2 354.458 2.547 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC000738299340 999624772 /nfs/dbraw/zinc/62/47/72/999624772.db2.gz NZHHRYHEFJCYSZ-UHFFFAOYSA-N 1 2 354.458 2.547 20 10 FFCDLO CCN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(OC)cc1 ZINC000746109305 999949769 /nfs/dbraw/zinc/94/97/69/999949769.db2.gz ONDHNWYSPVOFGI-UHFFFAOYSA-N 1 2 373.522 2.927 20 10 FFCDLO COc1ccc(N(C)CCN(C)C(=O)[C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000846697318 1000412603 /nfs/dbraw/zinc/41/26/03/1000412603.db2.gz NNURHAGCGJJNJH-SFHVURJKSA-N 1 2 363.408 2.568 20 10 FFCDLO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276191844 1016501911 /nfs/dbraw/zinc/50/19/11/1016501911.db2.gz BTBYTYRYXYTROT-IBGZPJMESA-N 1 2 368.424 2.521 20 10 FFCDLO CCCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276191844 1016501924 /nfs/dbraw/zinc/50/19/24/1016501924.db2.gz BTBYTYRYXYTROT-IBGZPJMESA-N 1 2 368.424 2.521 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000787334089 1001682599 /nfs/dbraw/zinc/68/25/99/1001682599.db2.gz GCFSSUDMJPNQLW-MDKPJZGXSA-N 1 2 365.477 2.863 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000787334089 1001682602 /nfs/dbraw/zinc/68/26/02/1001682602.db2.gz GCFSSUDMJPNQLW-MDKPJZGXSA-N 1 2 365.477 2.863 20 10 FFCDLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)C1 ZINC001195274561 1004929059 /nfs/dbraw/zinc/92/90/59/1004929059.db2.gz HYZFVKRAAWVXNB-VNRULFPQSA-N 1 2 354.410 2.868 20 10 FFCDLO C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)C1 ZINC001195274561 1004929071 /nfs/dbraw/zinc/92/90/71/1004929071.db2.gz HYZFVKRAAWVXNB-VNRULFPQSA-N 1 2 354.410 2.868 20 10 FFCDLO CN(C)c1ccc(CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)cc1F ZINC000853240469 1006346608 /nfs/dbraw/zinc/34/66/08/1006346608.db2.gz JERRAMHNXZKXHX-UHFFFAOYSA-N 1 2 359.449 2.645 20 10 FFCDLO CN(C)c1ccc(CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)cc1F ZINC000853240469 1006346622 /nfs/dbraw/zinc/34/66/22/1006346622.db2.gz JERRAMHNXZKXHX-UHFFFAOYSA-N 1 2 359.449 2.645 20 10 FFCDLO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(N(C)C)cc1 ZINC000773630757 1008538823 /nfs/dbraw/zinc/53/88/23/1008538823.db2.gz VRSMNEWIFMCTLJ-MRXNPFEDSA-N 1 2 353.470 2.740 20 10 FFCDLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC1CC1 ZINC000822503649 1008658511 /nfs/dbraw/zinc/65/85/11/1008658511.db2.gz JXCPLPGULPUHMB-SFHVURJKSA-N 1 2 366.414 2.863 20 10 FFCDLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC1CC1 ZINC000822503649 1008658518 /nfs/dbraw/zinc/65/85/18/1008658518.db2.gz JXCPLPGULPUHMB-SFHVURJKSA-N 1 2 366.414 2.863 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(C)n1-c1ccccc1 ZINC000859821210 1008680152 /nfs/dbraw/zinc/68/01/52/1008680152.db2.gz IKISTBVNBBFNET-SZPZYZBQSA-N 1 2 370.493 2.590 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(C)n1-c1ccccc1 ZINC000859821210 1008680160 /nfs/dbraw/zinc/68/01/60/1008680160.db2.gz IKISTBVNBBFNET-SZPZYZBQSA-N 1 2 370.493 2.590 20 10 FFCDLO CCN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000773766338 1009100818 /nfs/dbraw/zinc/10/08/18/1009100818.db2.gz SMGSYXBGXLYRIP-UHFFFAOYSA-N 1 2 353.466 2.806 20 10 FFCDLO CC(C)=CCN1C[C@@]2(F)C[N@H+](Cc3cc(C)ccc3O)C[C@@]2(F)C1=O ZINC001275237340 1012125694 /nfs/dbraw/zinc/12/56/94/1012125694.db2.gz AJTFSFNSAXGCCU-RBUKOAKNSA-N 1 2 350.409 2.741 20 10 FFCDLO CC(C)=CCN1C[C@@]2(F)C[N@@H+](Cc3cc(C)ccc3O)C[C@@]2(F)C1=O ZINC001275237340 1012125713 /nfs/dbraw/zinc/12/57/13/1012125713.db2.gz AJTFSFNSAXGCCU-RBUKOAKNSA-N 1 2 350.409 2.741 20 10 FFCDLO CN(C)c1ccc(CN2CC[C@]3(CCC[N@@H+]3Cc3nccs3)C2=O)cc1 ZINC001275723963 1012927750 /nfs/dbraw/zinc/92/77/50/1012927750.db2.gz LCQOGUQDAVLFRT-HXUWFJFHSA-N 1 2 370.522 2.976 20 10 FFCDLO CN(C)c1ccc(CN2CC[C@]3(CCC[N@H+]3Cc3nccs3)C2=O)cc1 ZINC001275723963 1012927760 /nfs/dbraw/zinc/92/77/60/1012927760.db2.gz LCQOGUQDAVLFRT-HXUWFJFHSA-N 1 2 370.522 2.976 20 10 FFCDLO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000779203766 1023353033 /nfs/dbraw/zinc/35/30/33/1023353033.db2.gz JUEXSYZZFLAIGG-KBXCAEBGSA-N 1 2 360.458 2.671 20 10 FFCDLO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000779203766 1023353040 /nfs/dbraw/zinc/35/30/40/1023353040.db2.gz JUEXSYZZFLAIGG-KBXCAEBGSA-N 1 2 360.458 2.671 20 10 FFCDLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000779526202 1023955141 /nfs/dbraw/zinc/95/51/41/1023955141.db2.gz QIFXNSZTNKJRAH-SYJIQKIWSA-N 1 2 363.417 2.945 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000759111447 1024473021 /nfs/dbraw/zinc/47/30/21/1024473021.db2.gz PAMQMDCYOHWFPZ-FQEVSTJZSA-N 1 2 353.466 2.641 20 10 FFCDLO C[C@@H](O)CNc1cc(N(C)Cc2ccc(N3CCCCC3)cc2)nc[nH+]1 ZINC000840237757 1027015489 /nfs/dbraw/zinc/01/54/89/1027015489.db2.gz DQWBZONOPMOCLU-MRXNPFEDSA-N 1 2 355.486 2.896 20 10 FFCDLO C[C@@H](O)CNc1cc(N(C)Cc2ccc(N3CCCCC3)cc2)[nH+]cn1 ZINC000840237757 1027015497 /nfs/dbraw/zinc/01/54/97/1027015497.db2.gz DQWBZONOPMOCLU-MRXNPFEDSA-N 1 2 355.486 2.896 20 10 FFCDLO CCc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc(CC)[nH+]1 ZINC001162221991 1028473069 /nfs/dbraw/zinc/47/30/69/1028473069.db2.gz UTOUFSKFUSEOMB-MRXNPFEDSA-N 1 2 367.497 2.915 20 10 FFCDLO O=C(NCc1ccc2cccnc2c1O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001162612049 1028597011 /nfs/dbraw/zinc/59/70/11/1028597011.db2.gz AWULPDJXBPLSIY-UHFFFAOYSA-N 1 2 360.373 2.762 20 10 FFCDLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203880816 1030954813 /nfs/dbraw/zinc/95/48/13/1030954813.db2.gz ISYUSBMXLSIISV-MRXNPFEDSA-N 1 2 361.463 2.881 20 10 FFCDLO CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203880816 1030954828 /nfs/dbraw/zinc/95/48/28/1030954828.db2.gz ISYUSBMXLSIISV-MRXNPFEDSA-N 1 2 361.463 2.881 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2Cc3nnn(CC)c3[C@H](COC)C2)cc1 ZINC001203939927 1030997125 /nfs/dbraw/zinc/99/71/25/1030997125.db2.gz GGQQLJIFXCHCBL-KRWDZBQOSA-N 1 2 357.502 2.890 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2Cc3nnn(CC)c3[C@H](COC)C2)cc1 ZINC001203939927 1030997133 /nfs/dbraw/zinc/99/71/33/1030997133.db2.gz GGQQLJIFXCHCBL-KRWDZBQOSA-N 1 2 357.502 2.890 20 10 FFCDLO Nc1ccc(Cc2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)cc1 ZINC000843161343 1031216603 /nfs/dbraw/zinc/21/66/03/1031216603.db2.gz MMWHZWVDBZKWMC-UHFFFAOYSA-N 1 2 350.422 2.742 20 10 FFCDLO COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)c1 ZINC001150542785 1031736039 /nfs/dbraw/zinc/73/60/39/1031736039.db2.gz FBMPMQAJFPHZHN-GFCCVEGCSA-N 1 2 353.378 2.783 20 10 FFCDLO O=C(Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1)c1cccc(O)c1O ZINC001219461074 1033655973 /nfs/dbraw/zinc/65/59/73/1033655973.db2.gz FXWCRVVRQCSESU-HNNXBMFYSA-N 1 2 364.348 2.726 20 10 FFCDLO Oc1c(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138340682 1034171177 /nfs/dbraw/zinc/17/11/77/1034171177.db2.gz ZFGYWVKKTRISKX-OAHLLOKOSA-N 1 2 356.388 2.854 20 10 FFCDLO Oc1c(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138340682 1034171184 /nfs/dbraw/zinc/17/11/84/1034171184.db2.gz ZFGYWVKKTRISKX-OAHLLOKOSA-N 1 2 356.388 2.854 20 10 FFCDLO Cc1nnc(C2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)o1 ZINC001139132619 1034960455 /nfs/dbraw/zinc/96/04/55/1034960455.db2.gz YECWHNBIQWDGOJ-UHFFFAOYSA-N 1 2 355.394 2.878 20 10 FFCDLO COC(=O)c1ccc(C[NH+]2CCN(Cc3cc(F)ccc3O)CC2)cc1 ZINC001140054944 1035324695 /nfs/dbraw/zinc/32/46/95/1035324695.db2.gz ANBDZSNNJFQQKL-UHFFFAOYSA-N 1 2 358.413 2.636 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(F)cc(F)c1O ZINC000834909677 1035472578 /nfs/dbraw/zinc/47/25/78/1035472578.db2.gz CQIKTUZDRIVQLM-WCQYABFASA-N 1 2 372.412 2.957 20 10 FFCDLO COc1cc(O[C@@H]2CC[N@H+](C)C2)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC001227395302 1035533793 /nfs/dbraw/zinc/53/37/93/1035533793.db2.gz NHNBNJCBLRQAKS-GFCCVEGCSA-N 1 2 367.401 2.568 20 10 FFCDLO COc1cc(O[C@@H]2CC[N@@H+](C)C2)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC001227395302 1035533799 /nfs/dbraw/zinc/53/37/99/1035533799.db2.gz NHNBNJCBLRQAKS-GFCCVEGCSA-N 1 2 367.401 2.568 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CC[N@@H+](C(C)C)C2)c1O ZINC001227494113 1035581920 /nfs/dbraw/zinc/58/19/20/1035581920.db2.gz PIKZNHBOXKLMPL-NSHDSACASA-N 1 2 371.455 2.669 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CC[N@H+](C(C)C)C2)c1O ZINC001227494113 1035581928 /nfs/dbraw/zinc/58/19/28/1035581928.db2.gz PIKZNHBOXKLMPL-NSHDSACASA-N 1 2 371.455 2.669 20 10 FFCDLO CC[C@H](C)N1CC2(C[NH+](Cc3ccc4ccccc4c3O)C2)OCC1=O ZINC001277223243 1035627582 /nfs/dbraw/zinc/62/75/82/1035627582.db2.gz IQUFZLPPRLIWDH-HNNXBMFYSA-N 1 2 354.450 2.757 20 10 FFCDLO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277231791 1035670631 /nfs/dbraw/zinc/67/06/31/1035670631.db2.gz GCUVVSDOOBKOSM-IBGZPJMESA-N 1 2 366.889 2.753 20 10 FFCDLO CC(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277231791 1035670640 /nfs/dbraw/zinc/67/06/40/1035670640.db2.gz GCUVVSDOOBKOSM-IBGZPJMESA-N 1 2 366.889 2.753 20 10 FFCDLO Fc1cc(N2CCOCC2)ccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC001140661882 1035812705 /nfs/dbraw/zinc/81/27/05/1035812705.db2.gz WNFBROZKVQTRMP-UHFFFAOYSA-N 1 2 359.445 2.573 20 10 FFCDLO O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001228111797 1035938536 /nfs/dbraw/zinc/93/85/36/1035938536.db2.gz WRRKBDCGVYUKEE-AWEZNQCLSA-N 1 2 366.373 2.625 20 10 FFCDLO CC[N@@H+]1CCC[C@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)C1 ZINC001228517941 1036154190 /nfs/dbraw/zinc/15/41/90/1036154190.db2.gz AYMZCXRXRRTRGP-AWEZNQCLSA-N 1 2 373.405 2.603 20 10 FFCDLO CC[N@H+]1CCC[C@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)C1 ZINC001228517941 1036154193 /nfs/dbraw/zinc/15/41/93/1036154193.db2.gz AYMZCXRXRRTRGP-AWEZNQCLSA-N 1 2 373.405 2.603 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CCc3c(nnn3CC)[C@@H]2COC)c(O)c1 ZINC001140853378 1036286606 /nfs/dbraw/zinc/28/66/06/1036286606.db2.gz VZZDQKLBWHYGRW-SFHVURJKSA-N 1 2 373.501 2.596 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CCc3c(nnn3CC)[C@@H]2COC)c(O)c1 ZINC001140853378 1036286626 /nfs/dbraw/zinc/28/66/26/1036286626.db2.gz VZZDQKLBWHYGRW-SFHVURJKSA-N 1 2 373.501 2.596 20 10 FFCDLO O=c1c2ccccc2nnn1C1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233336135 1036540884 /nfs/dbraw/zinc/54/08/84/1036540884.db2.gz ZUUPMYRBVLSBRF-UHFFFAOYSA-N 1 2 372.375 2.612 20 10 FFCDLO O=C(c1ccco1)N1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074339 1036923083 /nfs/dbraw/zinc/92/30/83/1036923083.db2.gz FPLDSZACIKQDNW-UHFFFAOYSA-N 1 2 365.477 2.936 20 10 FFCDLO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c(O)c1Cl ZINC001277833320 1036932473 /nfs/dbraw/zinc/93/24/73/1036932473.db2.gz HVNCMZZPFTYQFZ-UHFFFAOYSA-N 1 2 352.862 2.889 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255682246 1038126308 /nfs/dbraw/zinc/12/63/08/1038126308.db2.gz FQOXFYPHCVPFFV-UPJWGTAASA-N 1 2 361.360 2.893 20 10 FFCDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001236671114 1038183163 /nfs/dbraw/zinc/18/31/63/1038183163.db2.gz SHDAYGVKSPYGKN-CYBMUJFWSA-N 1 2 355.276 2.954 20 10 FFCDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001236671114 1038183167 /nfs/dbraw/zinc/18/31/67/1038183167.db2.gz SHDAYGVKSPYGKN-CYBMUJFWSA-N 1 2 355.276 2.954 20 10 FFCDLO CCc1ccc(C[N@@H+]2CCc3c(nnn3CC3CC3)[C@H]2COC)c(O)c1 ZINC001236785432 1038265268 /nfs/dbraw/zinc/26/52/68/1038265268.db2.gz JIJFYVCLTFMERX-GOSISDBHSA-N 1 2 356.470 2.702 20 10 FFCDLO CCc1ccc(C[N@H+]2CCc3c(nnn3CC3CC3)[C@H]2COC)c(O)c1 ZINC001236785432 1038265281 /nfs/dbraw/zinc/26/52/81/1038265281.db2.gz JIJFYVCLTFMERX-GOSISDBHSA-N 1 2 356.470 2.702 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(CC(=O)OC(C)(C)C)CC2)c(Cl)c1 ZINC001236799361 1038278139 /nfs/dbraw/zinc/27/81/39/1038278139.db2.gz NGKLZFIYORGMKB-UHFFFAOYSA-N 1 2 370.877 2.514 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(c3ccnc(OC)c3)CC2)c(Cl)c1 ZINC001236805816 1038279007 /nfs/dbraw/zinc/27/90/07/1038279007.db2.gz JFDIGYIKILBKHT-UHFFFAOYSA-N 1 2 363.845 2.780 20 10 FFCDLO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c(O)c1Cl ZINC001236808753 1038282411 /nfs/dbraw/zinc/28/24/11/1038282411.db2.gz IZSIFSRAYFQBFX-ZDUSSCGKSA-N 1 2 355.866 2.726 20 10 FFCDLO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c(O)c1Cl ZINC001236808753 1038282415 /nfs/dbraw/zinc/28/24/15/1038282415.db2.gz IZSIFSRAYFQBFX-ZDUSSCGKSA-N 1 2 355.866 2.726 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237122122 1038448800 /nfs/dbraw/zinc/44/88/00/1038448800.db2.gz SEQVYDWSXPKLTO-WDEREUQCSA-N 1 2 374.840 2.645 20 10 FFCDLO C[N@@H+]1CCO[C@]2(CCCN(Cc3cc(Br)c(F)cc3O)C2)C1 ZINC001278391231 1038811109 /nfs/dbraw/zinc/81/11/09/1038811109.db2.gz OEOTUKXGJXEPFJ-MRXNPFEDSA-N 1 2 373.266 2.590 20 10 FFCDLO C[N@H+]1CCO[C@]2(CCCN(Cc3cc(Br)c(F)cc3O)C2)C1 ZINC001278391231 1038811129 /nfs/dbraw/zinc/81/11/29/1038811129.db2.gz OEOTUKXGJXEPFJ-MRXNPFEDSA-N 1 2 373.266 2.590 20 10 FFCDLO Cc1ccc(F)c(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001259637187 1040125511 /nfs/dbraw/zinc/12/55/11/1040125511.db2.gz GRTCHGQWHXRGLI-UHFFFAOYSA-N 1 2 363.458 2.687 20 10 FFCDLO COCCOCN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001279442060 1043117155 /nfs/dbraw/zinc/11/71/55/1043117155.db2.gz KNIPYDXOBOGQSD-IBGZPJMESA-N 1 2 368.905 2.954 20 10 FFCDLO COCCOCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001279442060 1043117165 /nfs/dbraw/zinc/11/71/65/1043117165.db2.gz KNIPYDXOBOGQSD-IBGZPJMESA-N 1 2 368.905 2.954 20 10 FFCDLO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2c(F)ccc(F)c2O)c1 ZINC001237444909 1043169459 /nfs/dbraw/zinc/16/94/59/1043169459.db2.gz UAOBZEBOAXKFDS-QGZVFWFLSA-N 1 2 362.376 2.604 20 10 FFCDLO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1c(O)ccc(F)c1F)C2 ZINC001279489147 1043174483 /nfs/dbraw/zinc/17/44/83/1043174483.db2.gz LEDJZQCIUFZKNM-CQSZACIVSA-N 1 2 360.404 2.837 20 10 FFCDLO CC[N@@H+](Cc1cccc(I)c1O)C1CCOCC1 ZINC001237781169 1043352458 /nfs/dbraw/zinc/35/24/58/1043352458.db2.gz SXEYFOVEAJATBC-UHFFFAOYSA-N 1 2 361.223 2.998 20 10 FFCDLO O=S(=O)(Nc1cccc(C2CC[NH2+]CC2)c1)c1cccc2nsnc21 ZINC001237705630 1043320645 /nfs/dbraw/zinc/32/06/45/1043320645.db2.gz JJWYPBCSSAFKGD-UHFFFAOYSA-N 1 2 374.491 2.959 20 10 FFCDLO Oc1c(I)cccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237777965 1043351491 /nfs/dbraw/zinc/35/14/91/1043351491.db2.gz QPUMDJPDHIEQJT-SMDDNHRTSA-N 1 2 373.234 2.998 20 10 FFCDLO CC[N@H+](Cc1cccc(I)c1O)C1CCOCC1 ZINC001237781169 1043352447 /nfs/dbraw/zinc/35/24/47/1043352447.db2.gz SXEYFOVEAJATBC-UHFFFAOYSA-N 1 2 361.223 2.998 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1)c1cccnc1 ZINC001237803929 1043367705 /nfs/dbraw/zinc/36/77/05/1043367705.db2.gz WIDXRPOJKUUKMZ-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238059188 1043506955 /nfs/dbraw/zinc/50/69/55/1043506955.db2.gz AWMMHWXJCJHDNI-MRXNPFEDSA-N 1 2 368.449 2.907 20 10 FFCDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238059188 1043506958 /nfs/dbraw/zinc/50/69/58/1043506958.db2.gz AWMMHWXJCJHDNI-MRXNPFEDSA-N 1 2 368.449 2.907 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)cc1 ZINC001319612809 1045215237 /nfs/dbraw/zinc/21/52/37/1045215237.db2.gz LWARHWUTZUNGGA-UHFFFAOYSA-N 1 2 365.477 2.797 20 10 FFCDLO C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)n1cc[nH+]c1 ZINC001322290210 1046032077 /nfs/dbraw/zinc/03/20/77/1046032077.db2.gz NTUTZHALBPZFAL-LPHOPBHVSA-N 1 2 356.470 2.718 20 10 FFCDLO CC(C)[C@H](C(=O)NCc1cccc(Cl)c1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305069312 1051794608 /nfs/dbraw/zinc/79/46/08/1051794608.db2.gz CXDUDUZKISCHMK-DVOMOZLQSA-N 1 2 354.878 2.796 20 10 FFCDLO CC(C)[C@H](C(=O)NCc1cccc(Cl)c1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305069312 1051794613 /nfs/dbraw/zinc/79/46/13/1051794613.db2.gz CXDUDUZKISCHMK-DVOMOZLQSA-N 1 2 354.878 2.796 20 10 FFCDLO COC(=O)c1cnc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC001307567623 1052321755 /nfs/dbraw/zinc/32/17/55/1052321755.db2.gz SQWXBEVMYVNYDV-UHFFFAOYSA-N 1 2 353.378 2.764 20 10 FFCDLO COC(=O)c1cnc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC001307567623 1052321761 /nfs/dbraw/zinc/32/17/61/1052321761.db2.gz SQWXBEVMYVNYDV-UHFFFAOYSA-N 1 2 353.378 2.764 20 10 FFCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C1CCS(=O)CC1 ZINC001474352004 1065501578 /nfs/dbraw/zinc/50/15/78/1065501578.db2.gz QKTGYXUMLLQRLO-UHFFFAOYSA-N 1 2 350.253 2.637 20 10 FFCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C1CCS(=O)CC1 ZINC001474352004 1065501592 /nfs/dbraw/zinc/50/15/92/1065501592.db2.gz QKTGYXUMLLQRLO-UHFFFAOYSA-N 1 2 350.253 2.637 20 10 FFCDLO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001578189074 1078449149 /nfs/dbraw/zinc/44/91/49/1078449149.db2.gz BQWGINAXZYTFKT-OALUTQOASA-N 1 2 371.437 2.934 20 10 FFCDLO CC(C)(C)OC(=O)NC1(CO)CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001561054623 1076325766 /nfs/dbraw/zinc/32/57/66/1076325766.db2.gz JXWJRKBMZBOJPX-UHFFFAOYSA-N 1 2 372.412 2.522 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589999585 1080928738 /nfs/dbraw/zinc/92/87/38/1080928738.db2.gz XRWRRENEMQIAJM-SQWLQELKSA-N 1 2 367.453 2.778 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000373114971 512179158 /nfs/dbraw/zinc/17/91/58/512179158.db2.gz FZNHOWOQUUSOOU-OAHLLOKOSA-N 1 2 359.449 2.714 20 10 FFCDLO CN(Cc1ccccc1O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047371922 507317378 /nfs/dbraw/zinc/31/73/78/507317378.db2.gz OVDZYXXYUIQXOW-UHFFFAOYSA-N 1 2 360.483 3.499 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c1O ZINC000079465365 507964939 /nfs/dbraw/zinc/96/49/39/507964939.db2.gz OXLBVATURXFQIY-UHFFFAOYSA-N 1 2 364.446 2.606 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(c3nc(C)ns3)CC2)c1O ZINC000079465365 507964940 /nfs/dbraw/zinc/96/49/40/507964940.db2.gz OXLBVATURXFQIY-UHFFFAOYSA-N 1 2 364.446 2.606 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000128097539 508546545 /nfs/dbraw/zinc/54/65/45/508546545.db2.gz VDNFDLFVDSIGOZ-KRWDZBQOSA-N 1 2 353.470 2.568 20 10 FFCDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186384001 509683549 /nfs/dbraw/zinc/68/35/49/509683549.db2.gz CGYHOCBUXFARRE-ZDUSSCGKSA-N 1 2 353.422 2.757 20 10 FFCDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000180616805 510015023 /nfs/dbraw/zinc/01/50/23/510015023.db2.gz LUFFUAURJVNBND-FNQPIQQGSA-N 1 2 367.380 2.889 20 10 FFCDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C(=O)OC)C1 ZINC000180832288 510133655 /nfs/dbraw/zinc/13/36/55/510133655.db2.gz IQEVSPRSZJTANT-HKUYNNGSSA-N 1 2 374.481 2.604 20 10 FFCDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C(=O)OC)C1 ZINC000180832288 510133660 /nfs/dbraw/zinc/13/36/60/510133660.db2.gz IQEVSPRSZJTANT-HKUYNNGSSA-N 1 2 374.481 2.604 20 10 FFCDLO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000184429854 510320675 /nfs/dbraw/zinc/32/06/75/510320675.db2.gz WUROAXAIMXRGOK-UHFFFAOYSA-N 1 2 366.870 2.875 20 10 FFCDLO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(F)c(F)c3O)C2=O)n(C)n1 ZINC000187863584 510476064 /nfs/dbraw/zinc/47/60/64/510476064.db2.gz SESRUTHAUXTJHL-FZMZJTMJSA-N 1 2 364.396 2.559 20 10 FFCDLO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000191196215 510544667 /nfs/dbraw/zinc/54/46/67/510544667.db2.gz LXKMGKCXFXKVNJ-NSHDSACASA-N 1 2 370.421 2.772 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1O ZINC000182172364 510793413 /nfs/dbraw/zinc/79/34/13/510793413.db2.gz RDVORZBZOJCOMO-UHFFFAOYSA-N 1 2 352.862 2.939 20 10 FFCDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000278451664 510993625 /nfs/dbraw/zinc/99/36/25/510993625.db2.gz UOEAEJAZCFPWEV-NSHDSACASA-N 1 2 350.415 2.817 20 10 FFCDLO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000285850182 511015584 /nfs/dbraw/zinc/01/55/84/511015584.db2.gz ZCPFPAWGUKRPPT-SKDRFNHKSA-N 1 2 354.319 2.584 20 10 FFCDLO CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cc(Cl)cc(Cl)c1O ZINC000287594164 511053550 /nfs/dbraw/zinc/05/35/50/511053550.db2.gz IGEFHRKXVILFBT-HNNXBMFYSA-N 1 2 374.312 2.950 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000289373906 511099418 /nfs/dbraw/zinc/09/94/18/511099418.db2.gz BOEKBNJXKDVHCQ-NSHDSACASA-N 1 2 365.065 2.778 20 10 FFCDLO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2O)NC(=O)NC1=O ZINC000289953979 511121762 /nfs/dbraw/zinc/12/17/62/511121762.db2.gz YWRUTGYCSKUVCN-BDJLRTHQSA-N 1 2 372.252 2.652 20 10 FFCDLO C[C@]1(C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2O)NC(=O)NC1=O ZINC000289953979 511121770 /nfs/dbraw/zinc/12/17/70/511121770.db2.gz YWRUTGYCSKUVCN-BDJLRTHQSA-N 1 2 372.252 2.652 20 10 FFCDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O ZINC000362376893 511182218 /nfs/dbraw/zinc/18/22/18/511182218.db2.gz SQOIGVRXXCYLJP-GOSISDBHSA-N 1 2 370.840 2.675 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)N(C)Cc3[nH+]ccn3C)cc2)CC1 ZINC000271789084 511324376 /nfs/dbraw/zinc/32/43/76/511324376.db2.gz NAHFTEQEHGFVAV-UHFFFAOYSA-N 1 2 355.486 2.998 20 10 FFCDLO COc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3O)CC2)cc1OC ZINC000272233255 511473423 /nfs/dbraw/zinc/47/34/23/511473423.db2.gz FECBYSFPCZPZAQ-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO COc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)ccc1OCCO ZINC000273385999 511525071 /nfs/dbraw/zinc/52/50/71/511525071.db2.gz JLNJCYFRPDANMC-GFCCVEGCSA-N 1 2 362.382 2.531 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273480395 511528709 /nfs/dbraw/zinc/52/87/09/511528709.db2.gz UGXFSUWUGHORAI-DYVFJYSZSA-N 1 2 370.409 2.537 20 10 FFCDLO CN(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1c[nH+]cn1C ZINC000280690257 511565465 /nfs/dbraw/zinc/56/54/65/511565465.db2.gz DOKNFLMNPQVDGG-HXUWFJFHSA-N 1 2 369.513 2.672 20 10 FFCDLO O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000284089194 511600664 /nfs/dbraw/zinc/60/06/64/511600664.db2.gz SNVLIKOZOBDCBO-VSZOKUSCSA-N 1 2 362.380 2.810 20 10 FFCDLO COc1ccc([NH+]2CCC(Nc3ccc4ncc([N+](=O)[O-])n4n3)CC2)cc1 ZINC000301843916 511703675 /nfs/dbraw/zinc/70/36/75/511703675.db2.gz RXKYUEZCLFTPHT-UHFFFAOYSA-N 1 2 368.397 2.727 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302883307 511718939 /nfs/dbraw/zinc/71/89/39/511718939.db2.gz JKFHCCZTTWREIE-GOSISDBHSA-N 1 2 355.486 2.814 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302883307 511718944 /nfs/dbraw/zinc/71/89/44/511718944.db2.gz JKFHCCZTTWREIE-GOSISDBHSA-N 1 2 355.486 2.814 20 10 FFCDLO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000296413807 511734031 /nfs/dbraw/zinc/73/40/31/511734031.db2.gz LBIXMOFELRKJOT-BDAKNGLRSA-N 1 2 355.287 2.677 20 10 FFCDLO COC(=O)[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000781594455 738639583 /nfs/dbraw/zinc/63/95/83/738639583.db2.gz MVOHDYJDUYHJJQ-XJKSGUPXSA-N 1 2 354.397 2.798 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000781907067 738670615 /nfs/dbraw/zinc/67/06/15/738670615.db2.gz CUDYAWFRZJHRDZ-WDEREUQCSA-N 1 2 364.305 2.717 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000781907067 738670619 /nfs/dbraw/zinc/67/06/19/738670619.db2.gz CUDYAWFRZJHRDZ-WDEREUQCSA-N 1 2 364.305 2.717 20 10 FFCDLO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1cc(Br)c(F)cc1O ZINC000927156737 738698142 /nfs/dbraw/zinc/69/81/42/738698142.db2.gz POQMWIMRJDMJEZ-ULKVUYOBSA-N 1 2 374.250 2.874 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000882946151 733313388 /nfs/dbraw/zinc/31/33/88/733313388.db2.gz YCOUUZQEXMEKND-GFCCVEGCSA-N 1 2 364.667 2.685 20 10 FFCDLO OC[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)Cc1ccco1 ZINC000883050943 733326332 /nfs/dbraw/zinc/32/63/32/733326332.db2.gz HPZMQFOXOHQZMD-SNVBAGLBSA-N 1 2 358.207 2.828 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2cccc(Cl)c2O)cc1 ZINC000890761024 734336820 /nfs/dbraw/zinc/33/68/20/734336820.db2.gz IQTZKJZLYMJPNU-KRWDZBQOSA-N 1 2 360.841 2.945 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2cccc(Cl)c2O)cc1 ZINC000890761024 734336822 /nfs/dbraw/zinc/33/68/22/734336822.db2.gz IQTZKJZLYMJPNU-KRWDZBQOSA-N 1 2 360.841 2.945 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000895073748 734960231 /nfs/dbraw/zinc/96/02/31/734960231.db2.gz JWFWHOHIXVGUDE-GFCCVEGCSA-N 1 2 367.222 2.770 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000895073748 734960232 /nfs/dbraw/zinc/96/02/32/734960232.db2.gz JWFWHOHIXVGUDE-GFCCVEGCSA-N 1 2 367.222 2.770 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000897561630 735248319 /nfs/dbraw/zinc/24/83/19/735248319.db2.gz ABJKNMNFBSCKJM-HNNXBMFYSA-N 1 2 366.259 2.770 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000897561630 735248323 /nfs/dbraw/zinc/24/83/23/735248323.db2.gz ABJKNMNFBSCKJM-HNNXBMFYSA-N 1 2 366.259 2.770 20 10 FFCDLO COC(=O)C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000749296618 735711466 /nfs/dbraw/zinc/71/14/66/735711466.db2.gz GQNMGNQMVMWSKD-UHFFFAOYSA-N 1 2 357.834 2.752 20 10 FFCDLO COC(=O)C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000749296618 735711467 /nfs/dbraw/zinc/71/14/67/735711467.db2.gz GQNMGNQMVMWSKD-UHFFFAOYSA-N 1 2 357.834 2.752 20 10 FFCDLO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)c(F)cc1O ZINC000756533440 736339195 /nfs/dbraw/zinc/33/91/95/736339195.db2.gz HZVDSVDKZKIRJN-QWRGUYRKSA-N 1 2 361.255 2.665 20 10 FFCDLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756776479 736360594 /nfs/dbraw/zinc/36/05/94/736360594.db2.gz ZOYJOQBSLGXTGU-IGJMFERPSA-N 1 2 359.239 2.859 20 10 FFCDLO C[N@H+](CCCNC(=O)C1CCC1)Cc1cccc(Br)c1O ZINC000763626345 736954262 /nfs/dbraw/zinc/95/42/62/736954262.db2.gz MDSYXQDQILGWAL-UHFFFAOYSA-N 1 2 355.276 2.893 20 10 FFCDLO C[N@@H+](CCCNC(=O)C1CCC1)Cc1cccc(Br)c1O ZINC000763626345 736954268 /nfs/dbraw/zinc/95/42/68/736954268.db2.gz MDSYXQDQILGWAL-UHFFFAOYSA-N 1 2 355.276 2.893 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)cc1F ZINC000768885262 737472374 /nfs/dbraw/zinc/47/23/74/737472374.db2.gz BXMJVISAFUHTFH-UHFFFAOYSA-N 1 2 350.507 2.891 20 10 FFCDLO CCCN(CCC)c1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000769480262 737533701 /nfs/dbraw/zinc/53/37/01/737533701.db2.gz LXSYMLIWPYKBFV-RUZDIDTESA-N 1 2 365.587 2.809 20 10 FFCDLO COCC[N@H+](Cc1ccnn1C)Cc1cccc(Br)c1O ZINC000787331416 739127755 /nfs/dbraw/zinc/12/77/55/739127755.db2.gz KLHVTJXQNBCSMD-UHFFFAOYSA-N 1 2 354.248 2.537 20 10 FFCDLO COCC[N@@H+](Cc1ccnn1C)Cc1cccc(Br)c1O ZINC000787331416 739127757 /nfs/dbraw/zinc/12/77/57/739127757.db2.gz KLHVTJXQNBCSMD-UHFFFAOYSA-N 1 2 354.248 2.537 20 10 FFCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000790989410 739521634 /nfs/dbraw/zinc/52/16/34/739521634.db2.gz CTIKPSRDLPKDKO-UHFFFAOYSA-N 1 2 351.809 2.706 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000793360831 739773303 /nfs/dbraw/zinc/77/33/03/739773303.db2.gz ACSHLLKKSITLTO-LRDDRELGSA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000793360831 739773305 /nfs/dbraw/zinc/77/33/05/739773305.db2.gz ACSHLLKKSITLTO-LRDDRELGSA-N 1 2 356.260 2.843 20 10 FFCDLO CCOC(=O)C1(COC)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000793365608 739774364 /nfs/dbraw/zinc/77/43/64/739774364.db2.gz JNAIMMNRWPLTPS-UHFFFAOYSA-N 1 2 359.825 2.976 20 10 FFCDLO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000795826919 740067964 /nfs/dbraw/zinc/06/79/64/740067964.db2.gz CQDQMTDHRMFVST-HBNTYKKESA-N 1 2 362.239 2.589 20 10 FFCDLO COC[C@@]1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CCC[NH2+]1 ZINC000817973075 742225511 /nfs/dbraw/zinc/22/55/11/742225511.db2.gz BNXRSDQAKUJWHR-BONVTDFDSA-N 1 2 361.255 2.713 20 10 FFCDLO COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000821064907 742583103 /nfs/dbraw/zinc/58/31/03/742583103.db2.gz INSRADCCFPTXKA-YGRLFVJLSA-N 1 2 357.332 2.968 20 10 FFCDLO C[NH+](C)[C@@H]1CCc2cc(NS(=O)(=O)c3cccc4nonc43)ccc21 ZINC000830114652 745309046 /nfs/dbraw/zinc/30/90/46/745309046.db2.gz YJJKCTGFXMBBMK-OAHLLOKOSA-N 1 2 358.423 2.573 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)Cc2ncc(C3OCCO3)s2)cc1 ZINC000846051456 748392592 /nfs/dbraw/zinc/39/25/92/748392592.db2.gz HCVMAOXGVHUQAU-UHFFFAOYSA-N 1 2 363.483 2.765 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2ncc(C3OCCO3)s2)cc1 ZINC000846051456 748392597 /nfs/dbraw/zinc/39/25/97/748392597.db2.gz HCVMAOXGVHUQAU-UHFFFAOYSA-N 1 2 363.483 2.765 20 10 FFCDLO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000848546573 748956419 /nfs/dbraw/zinc/95/64/19/748956419.db2.gz BPEBVJAPKOBHLE-DTWKUNHWSA-N 1 2 355.236 2.704 20 10 FFCDLO C[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1cc(Br)ccc1O ZINC000848560321 748960979 /nfs/dbraw/zinc/96/09/79/748960979.db2.gz CKTGWSBESHKUGG-SECBINFHSA-N 1 2 354.252 2.747 20 10 FFCDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)[C@@]1(O)CCCOC1 ZINC000850400843 749360000 /nfs/dbraw/zinc/36/00/00/749360000.db2.gz PEDVSVGJMFBRIA-MRXNPFEDSA-N 1 2 358.276 2.812 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC000852538229 749886985 /nfs/dbraw/zinc/88/69/85/749886985.db2.gz VAWOWNCGKRLVPA-IFXJQAMLSA-N 1 2 359.857 2.782 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC000852538229 749886992 /nfs/dbraw/zinc/88/69/92/749886992.db2.gz VAWOWNCGKRLVPA-IFXJQAMLSA-N 1 2 359.857 2.782 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000840478855 971360372 /nfs/dbraw/zinc/36/03/72/971360372.db2.gz CAWCWNIOXCAHKB-WMZOPIPTSA-N 1 2 369.513 2.925 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000051230395 964425333 /nfs/dbraw/zinc/42/53/33/964425333.db2.gz IBXJHGHYNSHZDR-UHFFFAOYSA-N 1 2 357.410 2.934 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)Cn2cc[nH+]c2)CCCC1 ZINC000651111528 970591615 /nfs/dbraw/zinc/59/16/15/970591615.db2.gz IAXXHUQEUHPCQS-OAHLLOKOSA-N 1 2 366.465 2.930 20 10 FFCDLO CO[C@@H]1C[C@H]2C[N@H+](Cc3cc(F)cc(F)c3O)Cc3cccnc3N2C1 ZINC000895439580 970616884 /nfs/dbraw/zinc/61/68/84/970616884.db2.gz DHQJURMKEFNITF-JKSUJKDBSA-N 1 2 361.392 2.675 20 10 FFCDLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)Cc3cccnc3N2C1 ZINC000895439580 970616915 /nfs/dbraw/zinc/61/69/15/970616915.db2.gz DHQJURMKEFNITF-JKSUJKDBSA-N 1 2 361.392 2.675 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877519120 1014609678 /nfs/dbraw/zinc/60/96/78/1014609678.db2.gz IDZIUKMQKJLOIS-KGLIPLIRSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877519120 1014609681 /nfs/dbraw/zinc/60/96/81/1014609681.db2.gz IDZIUKMQKJLOIS-KGLIPLIRSA-N 1 2 370.396 2.540 20 10 FFCDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000844392530 997854415 /nfs/dbraw/zinc/85/44/15/997854415.db2.gz KPXGZJVPUQBXFF-ZWKOTPCHSA-N 1 2 356.466 2.667 20 10 FFCDLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000844392530 997854428 /nfs/dbraw/zinc/85/44/28/997854428.db2.gz KPXGZJVPUQBXFF-ZWKOTPCHSA-N 1 2 356.466 2.667 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1ccc(C(C)C)cc1 ZINC000770668116 1000871531 /nfs/dbraw/zinc/87/15/31/1000871531.db2.gz JPAKOKWCCCQUQA-VQTJNVASSA-N 1 2 370.493 2.828 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1ccc(C(C)C)cc1 ZINC000770668116 1000871540 /nfs/dbraw/zinc/87/15/40/1000871540.db2.gz JPAKOKWCCCQUQA-VQTJNVASSA-N 1 2 370.493 2.828 20 10 FFCDLO COc1c(O)c(C[NH+]2CCN(c3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000774834275 1002818592 /nfs/dbraw/zinc/81/85/92/1002818592.db2.gz DMKFVAWPMBXIEV-UHFFFAOYSA-N 1 2 357.410 2.940 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000804966997 1003919613 /nfs/dbraw/zinc/91/96/13/1003919613.db2.gz IHHHTDRRAGYKDC-FXAWDEMLSA-N 1 2 374.529 2.537 20 10 FFCDLO CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2c[nH+]cn2C)cc1 ZINC000806425792 1004312848 /nfs/dbraw/zinc/31/28/48/1004312848.db2.gz OJJRYTJAGSXTKC-UHFFFAOYSA-N 1 2 352.438 2.851 20 10 FFCDLO COC(=O)Cc1cc[nH+]c(NC2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000853252155 1006353437 /nfs/dbraw/zinc/35/34/37/1006353437.db2.gz JQOICCXULOWXNS-UHFFFAOYSA-N 1 2 355.438 2.887 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)O1 ZINC000882589381 1006445284 /nfs/dbraw/zinc/44/52/84/1006445284.db2.gz VSYQLOXCJKURJV-FOIQADDNSA-N 1 2 372.490 2.959 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)O1 ZINC000882589381 1006445289 /nfs/dbraw/zinc/44/52/89/1006445289.db2.gz VSYQLOXCJKURJV-FOIQADDNSA-N 1 2 372.490 2.959 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000815292722 1006568838 /nfs/dbraw/zinc/56/88/38/1006568838.db2.gz DTCSGGUAETXZNN-HXUWFJFHSA-N 1 2 359.514 2.602 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000815292722 1006568847 /nfs/dbraw/zinc/56/88/47/1006568847.db2.gz DTCSGGUAETXZNN-HXUWFJFHSA-N 1 2 359.514 2.602 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)C2)cc1 ZINC000854301503 1006767632 /nfs/dbraw/zinc/76/76/32/1006767632.db2.gz PXBNRODXBIFPLX-FUHWJXTLSA-N 1 2 369.469 2.517 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817183369 1007464651 /nfs/dbraw/zinc/46/46/51/1007464651.db2.gz DQKIPZIPAMJFLQ-FNORWQNLSA-N 1 2 369.417 2.687 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817874716 1007792055 /nfs/dbraw/zinc/79/20/55/1007792055.db2.gz NZUPDBQOZOJPDR-UHFFFAOYSA-N 1 2 369.465 2.849 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC000822512165 1008663050 /nfs/dbraw/zinc/66/30/50/1008663050.db2.gz WTUNLVARWWDYGD-UHFFFAOYSA-N 1 2 356.422 2.916 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC000822512165 1008663059 /nfs/dbraw/zinc/66/30/59/1008663059.db2.gz WTUNLVARWWDYGD-UHFFFAOYSA-N 1 2 356.422 2.916 20 10 FFCDLO CC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000773786005 1009203340 /nfs/dbraw/zinc/20/33/40/1009203340.db2.gz GFUDCEMJNMJMKF-UXHICEINSA-N 1 2 359.514 2.792 20 10 FFCDLO CC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000773786005 1009203348 /nfs/dbraw/zinc/20/33/48/1009203348.db2.gz GFUDCEMJNMJMKF-UXHICEINSA-N 1 2 359.514 2.792 20 10 FFCDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000120499433 1010768337 /nfs/dbraw/zinc/76/83/37/1010768337.db2.gz COZANJVBZKUGQG-UHFFFAOYSA-N 1 2 365.437 2.600 20 10 FFCDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000120499433 1010768347 /nfs/dbraw/zinc/76/83/47/1010768347.db2.gz COZANJVBZKUGQG-UHFFFAOYSA-N 1 2 365.437 2.600 20 10 FFCDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc(N)cc3)C2)c1 ZINC000868162267 1011186708 /nfs/dbraw/zinc/18/67/08/1011186708.db2.gz GOBMZRGRGAWLFF-LJQANCHMSA-N 1 2 354.454 2.600 20 10 FFCDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc(N)cc3)C2)c1 ZINC000868162267 1011186711 /nfs/dbraw/zinc/18/67/11/1011186711.db2.gz GOBMZRGRGAWLFF-LJQANCHMSA-N 1 2 354.454 2.600 20 10 FFCDLO COc1ccccc1-c1noc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC001217054666 1032597793 /nfs/dbraw/zinc/59/77/93/1032597793.db2.gz IJARHRBXALDKQE-UHFFFAOYSA-N 1 2 367.405 2.950 20 10 FFCDLO CN(c1ccc(Cn2cc[nH+]c2)cc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001212697604 1012189241 /nfs/dbraw/zinc/18/92/41/1012189241.db2.gz JAWTYOFLCVHPPK-UHFFFAOYSA-N 1 2 370.478 2.522 20 10 FFCDLO c1cncc(COc2ccc(N3CC[NH+](Cc4cncnc4)CC3)cc2)c1 ZINC001137672325 1032813936 /nfs/dbraw/zinc/81/39/36/1032813936.db2.gz AAPFBZUIEQRHGL-UHFFFAOYSA-N 1 2 361.449 2.773 20 10 FFCDLO C/C(=C\C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C[NH+]1CCOCC1 ZINC000900028184 1020146699 /nfs/dbraw/zinc/14/66/99/1020146699.db2.gz GBUVIGOQZJEDBO-KNTRCKAVSA-N 1 2 371.525 2.914 20 10 FFCDLO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc(F)c2O)N1)OCCCO4 ZINC000778520395 1022062197 /nfs/dbraw/zinc/06/21/97/1022062197.db2.gz VVTLCOJVWXBMPM-MRXNPFEDSA-N 1 2 369.356 2.539 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000195535673 1025030902 /nfs/dbraw/zinc/03/09/02/1025030902.db2.gz VZONHJXAQHUYFD-FUHIMQAGSA-N 1 2 359.514 2.758 20 10 FFCDLO COC(=O)c1cc(OC)cc(OC)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001141707615 1026845630 /nfs/dbraw/zinc/84/56/30/1026845630.db2.gz ZOZBWIHCYVPRJQ-UHFFFAOYSA-N 1 2 357.406 2.754 20 10 FFCDLO COC(=O)c1cc(OC)cc(OC)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001141707615 1026845637 /nfs/dbraw/zinc/84/56/37/1026845637.db2.gz ZOZBWIHCYVPRJQ-UHFFFAOYSA-N 1 2 357.406 2.754 20 10 FFCDLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCCc2cc(O)c(O)cc2C1 ZINC001155945407 1028985358 /nfs/dbraw/zinc/98/53/58/1028985358.db2.gz UNORNKIDSVRCKX-AATRIKPKSA-N 1 2 354.406 2.940 20 10 FFCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC001142524706 1030575731 /nfs/dbraw/zinc/57/57/31/1030575731.db2.gz HONJFKMDWOWHQK-UHFFFAOYSA-N 1 2 362.376 2.764 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC3(COC(=O)N3)CC2)c(C)n1-c1ccccc1 ZINC000784465023 1030633552 /nfs/dbraw/zinc/63/35/52/1030633552.db2.gz HUEQAZFSKYTHNS-UHFFFAOYSA-N 1 2 367.449 2.851 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(O)c3)CC2)c(OC)c1 ZINC001203870536 1030948043 /nfs/dbraw/zinc/94/80/43/1030948043.db2.gz HCRVHKRPHCGJAM-UHFFFAOYSA-N 1 2 358.438 2.740 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2Cc3nnn(CC)c3[C@@H](COC)C2)cc1 ZINC001203939928 1030997509 /nfs/dbraw/zinc/99/75/09/1030997509.db2.gz GGQQLJIFXCHCBL-QGZVFWFLSA-N 1 2 357.502 2.890 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2Cc3nnn(CC)c3[C@@H](COC)C2)cc1 ZINC001203939928 1030997525 /nfs/dbraw/zinc/99/75/25/1030997525.db2.gz GGQQLJIFXCHCBL-QGZVFWFLSA-N 1 2 357.502 2.890 20 10 FFCDLO Nc1ccc(Cc2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000843160795 1031216928 /nfs/dbraw/zinc/21/69/28/1031216928.db2.gz JCGRFIKEDFBGRQ-SFHVURJKSA-N 1 2 350.422 2.816 20 10 FFCDLO Nc1ccc(Cc2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000843160795 1031216940 /nfs/dbraw/zinc/21/69/40/1031216940.db2.gz JCGRFIKEDFBGRQ-SFHVURJKSA-N 1 2 350.422 2.816 20 10 FFCDLO O=C(C[C@H]1CCCC[NH2+]1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218920576 1033409776 /nfs/dbraw/zinc/40/97/76/1033409776.db2.gz XRNRYGIODLZWQT-GFCCVEGCSA-N 1 2 364.401 2.638 20 10 FFCDLO O=C1C[C@@]2(CN1CC(F)F)CCCC[N@H+]2Cc1ccc(F)c(F)c1O ZINC001276947901 1033722788 /nfs/dbraw/zinc/72/27/88/1033722788.db2.gz CTIRFYRKOIFQMU-QGZVFWFLSA-N 1 2 360.351 2.893 20 10 FFCDLO O=C1C[C@@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1ccc(F)c(F)c1O ZINC001276947901 1033722795 /nfs/dbraw/zinc/72/27/95/1033722795.db2.gz CTIRFYRKOIFQMU-QGZVFWFLSA-N 1 2 360.351 2.893 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]2C[C@H]21 ZINC001138495977 1034334845 /nfs/dbraw/zinc/33/48/45/1034334845.db2.gz LBDCECOTMUVMRS-RBUKOAKNSA-N 1 2 373.497 2.717 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]2C[C@H]21 ZINC001138495977 1034334858 /nfs/dbraw/zinc/33/48/58/1034334858.db2.gz LBDCECOTMUVMRS-RBUKOAKNSA-N 1 2 373.497 2.717 20 10 FFCDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001277099364 1034529823 /nfs/dbraw/zinc/52/98/23/1034529823.db2.gz ZVEZKKNXRGOOMU-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(F)c1F ZINC001277099364 1034529839 /nfs/dbraw/zinc/52/98/39/1034529839.db2.gz ZVEZKKNXRGOOMU-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO C[N@H+](CC(=O)OCc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287467 1035419636 /nfs/dbraw/zinc/41/96/36/1035419636.db2.gz URKMVRVKQSOJAK-UHFFFAOYSA-N 1 2 368.477 2.823 20 10 FFCDLO C[N@@H+](CC(=O)OCc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287467 1035419637 /nfs/dbraw/zinc/41/96/37/1035419637.db2.gz URKMVRVKQSOJAK-UHFFFAOYSA-N 1 2 368.477 2.823 20 10 FFCDLO Oc1cc(Cl)ccc1C[N@@H+]1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001140465276 1035485216 /nfs/dbraw/zinc/48/52/16/1035485216.db2.gz MHERLDQBQMMZGD-LJQANCHMSA-N 1 2 374.872 2.707 20 10 FFCDLO Oc1cc(Cl)ccc1C[N@H+]1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001140465276 1035485220 /nfs/dbraw/zinc/48/52/20/1035485220.db2.gz MHERLDQBQMMZGD-LJQANCHMSA-N 1 2 374.872 2.707 20 10 FFCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CCC(=O)CC3)cc2)CC1 ZINC001140474579 1035487688 /nfs/dbraw/zinc/48/76/88/1035487688.db2.gz PVAXQBPBKPGJNA-UHFFFAOYSA-N 1 2 373.497 2.909 20 10 FFCDLO O=c1c2ccccc2nnn1C1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140584445 1035668310 /nfs/dbraw/zinc/66/83/10/1035668310.db2.gz RLNBZORGRHJGBT-UHFFFAOYSA-N 1 2 372.375 2.612 20 10 FFCDLO COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232148 1035678207 /nfs/dbraw/zinc/67/82/07/1035678207.db2.gz LMADHDHMJDVTSE-OAHLLOKOSA-N 1 2 366.889 2.800 20 10 FFCDLO O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001228116166 1035941935 /nfs/dbraw/zinc/94/19/35/1035941935.db2.gz VFSCCJAMPFXJEW-KRWDZBQOSA-N 1 2 355.390 2.507 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010976 1036246217 /nfs/dbraw/zinc/24/62/17/1036246217.db2.gz XHOIJEIIDOHNSQ-CYBMUJFWSA-N 1 2 352.431 2.683 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010976 1036246231 /nfs/dbraw/zinc/24/62/31/1036246231.db2.gz XHOIJEIIDOHNSQ-CYBMUJFWSA-N 1 2 352.431 2.683 20 10 FFCDLO Cn1cnnc1C1CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233030535 1036269458 /nfs/dbraw/zinc/26/94/58/1036269458.db2.gz XAVQLIFYMAABQM-UHFFFAOYSA-N 1 2 369.238 2.802 20 10 FFCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233074189 1036320435 /nfs/dbraw/zinc/32/04/35/1036320435.db2.gz KPSTYIMDECVNMZ-ZDUSSCGKSA-N 1 2 372.412 2.738 20 10 FFCDLO C[N@H+](Cc1ccc(F)c(F)c1O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233074189 1036320455 /nfs/dbraw/zinc/32/04/55/1036320455.db2.gz KPSTYIMDECVNMZ-ZDUSSCGKSA-N 1 2 372.412 2.738 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC001233110702 1036356691 /nfs/dbraw/zinc/35/66/91/1036356691.db2.gz IITKHYUYCRQJNU-DDTOSNHZSA-N 1 2 354.244 2.989 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(Br)cc(C)c1O ZINC001233110702 1036356712 /nfs/dbraw/zinc/35/67/12/1036356712.db2.gz IITKHYUYCRQJNU-DDTOSNHZSA-N 1 2 354.244 2.989 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)c(OC)c1 ZINC001141028200 1036764201 /nfs/dbraw/zinc/76/42/01/1036764201.db2.gz FSAIKLBGEIKSNR-UHFFFAOYSA-N 1 2 370.449 2.676 20 10 FFCDLO Cc1c(O)cc2c(c1OC1CC[NH+](C)CC1)C(=O)c1ccccc1C2=O ZINC001229829450 1036922146 /nfs/dbraw/zinc/92/21/46/1036922146.db2.gz RRNVNNMHAHIXBN-UHFFFAOYSA-N 1 2 351.402 2.949 20 10 FFCDLO C[N@@H+]1CCC[C@@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234746715 1037164434 /nfs/dbraw/zinc/16/44/34/1037164434.db2.gz CYAYNKXIGFBGBA-LLVKDONJSA-N 1 2 357.362 2.536 20 10 FFCDLO C[N@H+]1CCC[C@@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234746715 1037164439 /nfs/dbraw/zinc/16/44/39/1037164439.db2.gz CYAYNKXIGFBGBA-LLVKDONJSA-N 1 2 357.362 2.536 20 10 FFCDLO CCC(=O)NC1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235302664 1037461459 /nfs/dbraw/zinc/46/14/59/1037461459.db2.gz SFSLTFFWYWMTRT-UHFFFAOYSA-N 1 2 359.239 2.784 20 10 FFCDLO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C1 ZINC001231254358 1037513784 /nfs/dbraw/zinc/51/37/84/1037513784.db2.gz VGJKRLKWQAZNJW-GFCCVEGCSA-N 1 2 366.373 2.843 20 10 FFCDLO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C1 ZINC001231254358 1037513792 /nfs/dbraw/zinc/51/37/92/1037513792.db2.gz VGJKRLKWQAZNJW-GFCCVEGCSA-N 1 2 366.373 2.843 20 10 FFCDLO COc1ccc(Br)c(C[NH+]2CCN(CC(F)F)CC2)c1O ZINC001231557581 1037682749 /nfs/dbraw/zinc/68/27/49/1037682749.db2.gz USVKLMJLXBNGKH-UHFFFAOYSA-N 1 2 365.218 2.546 20 10 FFCDLO CCC[C@@H]1C[NH2+]CCN1Cc1cc(C(=O)OC)cc(Br)c1O ZINC001236132267 1037945698 /nfs/dbraw/zinc/94/56/98/1037945698.db2.gz GUAITMFTIMJQML-CYBMUJFWSA-N 1 2 371.275 2.515 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(C)c21 ZINC001231851651 1037948567 /nfs/dbraw/zinc/94/85/67/1037948567.db2.gz KWEDFZQWPLHRSC-INIZCTEOSA-N 1 2 358.486 2.631 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2ncn(C)c21 ZINC001231851651 1037948579 /nfs/dbraw/zinc/94/85/79/1037948579.db2.gz KWEDFZQWPLHRSC-INIZCTEOSA-N 1 2 358.486 2.631 20 10 FFCDLO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911954 1038006672 /nfs/dbraw/zinc/00/66/72/1038006672.db2.gz UICMZQSSZJQNOV-VQIMIIECSA-N 1 2 364.873 2.553 20 10 FFCDLO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911954 1038006692 /nfs/dbraw/zinc/00/66/92/1038006692.db2.gz UICMZQSSZJQNOV-VQIMIIECSA-N 1 2 364.873 2.553 20 10 FFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001231911206 1038008798 /nfs/dbraw/zinc/00/87/98/1038008798.db2.gz FWUXFFCXCNZZQY-UHFFFAOYSA-N 1 2 357.845 2.893 20 10 FFCDLO Oc1c(Cl)cccc1C[N@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001231911206 1038008820 /nfs/dbraw/zinc/00/88/20/1038008820.db2.gz FWUXFFCXCNZZQY-UHFFFAOYSA-N 1 2 357.845 2.893 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255682244 1038125387 /nfs/dbraw/zinc/12/53/87/1038125387.db2.gz FQOXFYPHCVPFFV-AGIUHOORSA-N 1 2 361.360 2.893 20 10 FFCDLO COc1ccc([N@@H+]2CCC[C@@]3(CCN(CC(OC)OC)C3=O)CC2)cc1 ZINC001277988801 1038153288 /nfs/dbraw/zinc/15/32/88/1038153288.db2.gz OMIUTVIUKKIBGS-FQEVSTJZSA-N 1 2 362.470 2.523 20 10 FFCDLO COc1ccc([N@H+]2CCC[C@@]3(CCN(CC(OC)OC)C3=O)CC2)cc1 ZINC001277988801 1038153293 /nfs/dbraw/zinc/15/32/93/1038153293.db2.gz OMIUTVIUKKIBGS-FQEVSTJZSA-N 1 2 362.470 2.523 20 10 FFCDLO CCOC(=O)c1cccc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)n1 ZINC001236653885 1038175388 /nfs/dbraw/zinc/17/53/88/1038175388.db2.gz OAHCCXOUWAICME-UHFFFAOYSA-N 1 2 369.465 2.898 20 10 FFCDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236792073 1038272998 /nfs/dbraw/zinc/27/29/98/1038272998.db2.gz BEEFJOKRVWIQTM-UFBFGSQYSA-N 1 2 360.159 2.559 20 10 FFCDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1cc(Cl)c(Cl)cc1O ZINC001236792073 1038273008 /nfs/dbraw/zinc/27/30/08/1038273008.db2.gz BEEFJOKRVWIQTM-UFBFGSQYSA-N 1 2 360.159 2.559 20 10 FFCDLO COc1ccc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c(O)c1Cl ZINC001236812509 1038286366 /nfs/dbraw/zinc/28/63/66/1038286366.db2.gz YHEVAUMQZRAWLI-UHFFFAOYSA-N 1 2 352.862 2.935 20 10 FFCDLO Cc1cc(CN2CCC3(C[NH+](Cc4cc(Cl)ccc4O)C3)C2)n(C)n1 ZINC001278568647 1041204118 /nfs/dbraw/zinc/20/41/18/1041204118.db2.gz CZKKDDIWLMLWJK-UHFFFAOYSA-N 1 2 360.889 2.795 20 10 FFCDLO CN(c1c[nH+]cn1Cc1ccccc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001216553811 1042058637 /nfs/dbraw/zinc/05/86/37/1042058637.db2.gz OCOQTZGBKJMBBW-UHFFFAOYSA-N 1 2 370.478 2.522 20 10 FFCDLO Cc1cc(CN2CCC23C[NH+](Cc2cc(Cl)c(C)cc2O)C3)n(C)n1 ZINC001279433466 1043107524 /nfs/dbraw/zinc/10/75/24/1043107524.db2.gz UMWQQYHZZSTXIU-UHFFFAOYSA-N 1 2 360.889 2.856 20 10 FFCDLO Oc1c(F)cccc1C[NH+]1CC2(CN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC001279525394 1043223753 /nfs/dbraw/zinc/22/37/53/1043223753.db2.gz QCDANVQTOZFZLF-UHFFFAOYSA-N 1 2 352.413 2.725 20 10 FFCDLO CCOCc1nnn2c1C[N@H+](Cc1cc(Cl)cc(C)c1O)CCC2 ZINC001237682755 1043309584 /nfs/dbraw/zinc/30/95/84/1043309584.db2.gz CTUCPIIAAZVKFL-UHFFFAOYSA-N 1 2 350.850 2.888 20 10 FFCDLO CCOCc1nnn2c1C[N@@H+](Cc1cc(Cl)cc(C)c1O)CCC2 ZINC001237682755 1043309588 /nfs/dbraw/zinc/30/95/88/1043309588.db2.gz CTUCPIIAAZVKFL-UHFFFAOYSA-N 1 2 350.850 2.888 20 10 FFCDLO O=C1[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]2CN1c1cccnc1 ZINC001237815007 1043375242 /nfs/dbraw/zinc/37/52/42/1043375242.db2.gz URVVYCRVSSJTCC-WFASDCNBSA-N 1 2 361.804 2.675 20 10 FFCDLO O=C1[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]2CN1c1cccnc1 ZINC001237815007 1043375253 /nfs/dbraw/zinc/37/52/53/1043375253.db2.gz URVVYCRVSSJTCC-WFASDCNBSA-N 1 2 361.804 2.675 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c(Cl)c1 ZINC001279665922 1043430153 /nfs/dbraw/zinc/43/01/53/1043430153.db2.gz UMMTYTIVMLCNDL-OKILXGFUSA-N 1 2 362.861 2.626 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c(Cl)c1 ZINC001279665922 1043430156 /nfs/dbraw/zinc/43/01/56/1043430156.db2.gz UMMTYTIVMLCNDL-OKILXGFUSA-N 1 2 362.861 2.626 20 10 FFCDLO COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)c(Cl)c1 ZINC001279665922 1043430163 /nfs/dbraw/zinc/43/01/63/1043430163.db2.gz UMMTYTIVMLCNDL-OKILXGFUSA-N 1 2 362.861 2.626 20 10 FFCDLO COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)c(Cl)c1 ZINC001279665922 1043430166 /nfs/dbraw/zinc/43/01/66/1043430166.db2.gz UMMTYTIVMLCNDL-OKILXGFUSA-N 1 2 362.861 2.626 20 10 FFCDLO CC(C)NC(=O)N1CCC2(C[NH+](Cc3c(O)ccc(F)c3Cl)C2)C1 ZINC001279684307 1043463869 /nfs/dbraw/zinc/46/38/69/1043463869.db2.gz QFLMYNLWDHIOBP-UHFFFAOYSA-N 1 2 355.841 2.810 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N3CCCC[C@H]3CC)CC2)cc1 ZINC001319452776 1045154877 /nfs/dbraw/zinc/15/48/77/1045154877.db2.gz ZGRTXZDHEUOIRN-GOSISDBHSA-N 1 2 359.514 2.998 20 10 FFCDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC001541101901 1071052987 /nfs/dbraw/zinc/05/29/87/1071052987.db2.gz VSBIROQSDVGCCS-HUUCEWRRSA-N 1 2 370.449 2.888 20 10 FFCDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCc3ccc(N)cc3)CC2)c1 ZINC001337078457 1054463774 /nfs/dbraw/zinc/46/37/74/1054463774.db2.gz JKTDBLFSNLAQSB-MRXNPFEDSA-N 1 2 368.481 2.866 20 10 FFCDLO CCc1cccc(CNc2ccc(N3CCN(C(=O)OC)CC3)[nH+]c2)c1O ZINC000848915166 1055355499 /nfs/dbraw/zinc/35/54/99/1055355499.db2.gz ZUNPRTLIUZCHIV-UHFFFAOYSA-N 1 2 370.453 2.850 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001352876238 1055887771 /nfs/dbraw/zinc/88/77/71/1055887771.db2.gz JMODCJLKJSCFKS-ZJUUUORDSA-N 1 2 353.287 2.844 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001352876238 1055887779 /nfs/dbraw/zinc/88/77/79/1055887779.db2.gz JMODCJLKJSCFKS-ZJUUUORDSA-N 1 2 353.287 2.844 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001469103451 1064091963 /nfs/dbraw/zinc/09/19/63/1064091963.db2.gz HSBDZADDZGYLPT-MGPUTAFESA-N 1 2 369.513 2.912 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001469103451 1064091969 /nfs/dbraw/zinc/09/19/69/1064091969.db2.gz HSBDZADDZGYLPT-MGPUTAFESA-N 1 2 369.513 2.912 20 10 FFCDLO Cc1ccc(O)c(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC001557552709 1075861594 /nfs/dbraw/zinc/86/15/94/1075861594.db2.gz HWQHYXDQVHCCCA-UHFFFAOYSA-N 1 2 352.350 2.725 20 10 FFCDLO CN(C)c1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1F ZINC000110381996 508024775 /nfs/dbraw/zinc/02/47/75/508024775.db2.gz KUXVCRATBFHLFV-HNNXBMFYSA-N 1 2 359.449 2.503 20 10 FFCDLO CN(C)c1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1F ZINC000110381996 508024777 /nfs/dbraw/zinc/02/47/77/508024777.db2.gz KUXVCRATBFHLFV-HNNXBMFYSA-N 1 2 359.449 2.503 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000377704772 512409990 /nfs/dbraw/zinc/40/99/90/512409990.db2.gz WRTDAZUTDBLGKF-KGLIPLIRSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000377704772 512409992 /nfs/dbraw/zinc/40/99/92/512409992.db2.gz WRTDAZUTDBLGKF-KGLIPLIRSA-N 1 2 372.259 2.543 20 10 FFCDLO O=Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000153989968 508693055 /nfs/dbraw/zinc/69/30/55/508693055.db2.gz PKNUTBSYHDSGCV-AWEZNQCLSA-N 1 2 361.829 2.581 20 10 FFCDLO O=Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000153989968 508693056 /nfs/dbraw/zinc/69/30/56/508693056.db2.gz PKNUTBSYHDSGCV-AWEZNQCLSA-N 1 2 361.829 2.581 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccnc1-n1cc[nH+]c1 ZINC000125317801 508963818 /nfs/dbraw/zinc/96/38/18/508963818.db2.gz IHUMKFZJEQYEKR-UHFFFAOYSA-N 1 2 374.448 2.643 20 10 FFCDLO CC[N@H+](Cc1nc(COC)no1)Cc1cc(Br)ccc1O ZINC000182375658 509200589 /nfs/dbraw/zinc/20/05/89/509200589.db2.gz RDMAUROKYMIXNM-UHFFFAOYSA-N 1 2 356.220 2.706 20 10 FFCDLO CC[N@@H+](Cc1nc(COC)no1)Cc1cc(Br)ccc1O ZINC000182375658 509200592 /nfs/dbraw/zinc/20/05/92/509200592.db2.gz RDMAUROKYMIXNM-UHFFFAOYSA-N 1 2 356.220 2.706 20 10 FFCDLO Oc1ccccc1C[N@@H+](Cc1nnc2n1CCCCC2)C[C@H]1CCCO1 ZINC000264760833 509688860 /nfs/dbraw/zinc/68/88/60/509688860.db2.gz YWRJNXRBPSWDNJ-QGZVFWFLSA-N 1 2 356.470 2.891 20 10 FFCDLO Oc1ccccc1C[N@H+](Cc1nnc2n1CCCCC2)C[C@H]1CCCO1 ZINC000264760833 509688866 /nfs/dbraw/zinc/68/88/66/509688866.db2.gz YWRJNXRBPSWDNJ-QGZVFWFLSA-N 1 2 356.470 2.891 20 10 FFCDLO COc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1O ZINC000173674370 509714235 /nfs/dbraw/zinc/71/42/35/509714235.db2.gz WWJZFBLGCIFFKV-UHFFFAOYSA-N 1 2 370.453 2.786 20 10 FFCDLO CN(C)c1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000265866460 510271017 /nfs/dbraw/zinc/27/10/17/510271017.db2.gz XSVIKOMLLLYNNV-UHFFFAOYSA-N 1 2 353.466 2.515 20 10 FFCDLO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000187769338 510425432 /nfs/dbraw/zinc/42/54/32/510425432.db2.gz UGXNENIZMQLGOE-NSHDSACASA-N 1 2 350.365 2.760 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(F)c1O ZINC000276239136 510930501 /nfs/dbraw/zinc/93/05/01/510930501.db2.gz AXKDBOCFQRMLEF-JTQLQIEISA-N 1 2 356.394 2.893 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1O ZINC000276998725 510952130 /nfs/dbraw/zinc/95/21/30/510952130.db2.gz YXIZGGINQUBULF-WBMJQRKESA-N 1 2 361.392 2.907 20 10 FFCDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)c(OC)c1 ZINC000278216931 510984617 /nfs/dbraw/zinc/98/46/17/510984617.db2.gz LCXRUGSSBGHFKH-UHFFFAOYSA-N 1 2 362.382 2.958 20 10 FFCDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)c(OC)c1 ZINC000278216931 510984624 /nfs/dbraw/zinc/98/46/24/510984624.db2.gz LCXRUGSSBGHFKH-UHFFFAOYSA-N 1 2 362.382 2.958 20 10 FFCDLO COc1c(O)c(C[N@H+](C)Cc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000278227313 510985404 /nfs/dbraw/zinc/98/54/04/510985404.db2.gz MEKZRFPRJDBUFP-UHFFFAOYSA-N 1 2 374.319 2.700 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)Cc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000278227313 510985410 /nfs/dbraw/zinc/98/54/10/510985410.db2.gz MEKZRFPRJDBUFP-UHFFFAOYSA-N 1 2 374.319 2.700 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278323754 510989369 /nfs/dbraw/zinc/98/93/69/510989369.db2.gz YOOJGGAPUQIUCE-CYBMUJFWSA-N 1 2 350.396 2.944 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278323754 510989372 /nfs/dbraw/zinc/98/93/72/510989372.db2.gz YOOJGGAPUQIUCE-CYBMUJFWSA-N 1 2 350.396 2.944 20 10 FFCDLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000279167403 511020473 /nfs/dbraw/zinc/02/04/73/511020473.db2.gz GQEPYJYSKNTGHT-SFHVURJKSA-N 1 2 356.470 2.534 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)ccc21 ZINC000361279421 511025776 /nfs/dbraw/zinc/02/57/76/511025776.db2.gz XJDMBISUBMXZQD-MRXNPFEDSA-N 1 2 366.465 2.915 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)ccc21 ZINC000361279421 511025782 /nfs/dbraw/zinc/02/57/82/511025782.db2.gz XJDMBISUBMXZQD-MRXNPFEDSA-N 1 2 366.465 2.915 20 10 FFCDLO CC[C@@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cc(Cl)cc(Cl)c1O ZINC000287594167 511053303 /nfs/dbraw/zinc/05/33/03/511053303.db2.gz IGEFHRKXVILFBT-OAHLLOKOSA-N 1 2 374.312 2.950 20 10 FFCDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000271080814 511076544 /nfs/dbraw/zinc/07/65/44/511076544.db2.gz ZUFGKDHDDLHTTO-FUHWJXTLSA-N 1 2 361.392 2.915 20 10 FFCDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000271080814 511076550 /nfs/dbraw/zinc/07/65/50/511076550.db2.gz ZUFGKDHDDLHTTO-FUHWJXTLSA-N 1 2 361.392 2.915 20 10 FFCDLO CN(Cc1cccs1)c1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000294613964 511121154 /nfs/dbraw/zinc/12/11/54/511121154.db2.gz WSPVEOWMXUALDI-UHFFFAOYSA-N 1 2 352.525 2.861 20 10 FFCDLO CN(Cc1cccs1)c1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000294613964 511121157 /nfs/dbraw/zinc/12/11/57/511121157.db2.gz WSPVEOWMXUALDI-UHFFFAOYSA-N 1 2 352.525 2.861 20 10 FFCDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000365638482 511574112 /nfs/dbraw/zinc/57/41/12/511574112.db2.gz MHIVHYRKOKSATK-SFHVURJKSA-N 1 2 367.497 2.892 20 10 FFCDLO COc1ccc(N2CCCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000302884960 511718879 /nfs/dbraw/zinc/71/88/79/511718879.db2.gz KNLIWPTZDCPFQC-UHFFFAOYSA-N 1 2 353.470 2.802 20 10 FFCDLO COc1ccc(N2CCCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000302884960 511718886 /nfs/dbraw/zinc/71/88/86/511718886.db2.gz KNLIWPTZDCPFQC-UHFFFAOYSA-N 1 2 353.470 2.802 20 10 FFCDLO CN1CCCc2cc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)ccc21 ZINC000365918403 511727141 /nfs/dbraw/zinc/72/71/41/511727141.db2.gz ICKBHQSUEXHQLG-UHFFFAOYSA-N 1 2 353.470 2.881 20 10 FFCDLO CN1CCCc2cc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)ccc21 ZINC000365918403 511727151 /nfs/dbraw/zinc/72/71/51/511727151.db2.gz ICKBHQSUEXHQLG-UHFFFAOYSA-N 1 2 353.470 2.881 20 10 FFCDLO COc1ccc(N2CCCN(C(=O)NCc3c[nH+]ccc3OC)CC2)cc1 ZINC000366611289 512102445 /nfs/dbraw/zinc/10/24/45/512102445.db2.gz HGRKIDAWWFLTPI-UHFFFAOYSA-N 1 2 370.453 2.521 20 10 FFCDLO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c(O)c1O ZINC000378561896 512824887 /nfs/dbraw/zinc/82/48/87/512824887.db2.gz VJZNTNNPVCXMRR-OAHLLOKOSA-N 1 2 355.369 2.798 20 10 FFCDLO CS(=O)(=O)c1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)co1 ZINC000528420601 516424669 /nfs/dbraw/zinc/42/46/69/516424669.db2.gz WSFFMXGVUBBMOW-MRXNPFEDSA-N 1 2 365.451 2.570 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000527452255 517683775 /nfs/dbraw/zinc/68/37/75/517683775.db2.gz PYXWKGOYHBMTBQ-INIZCTEOSA-N 1 2 363.465 2.960 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NCCC(C)C)CC2)cc1F ZINC000084866916 728426493 /nfs/dbraw/zinc/42/64/93/728426493.db2.gz NRPHTCRWVPLRCN-OAHLLOKOSA-N 1 2 351.466 2.507 20 10 FFCDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cccc(Br)c1O ZINC000093610711 728476851 /nfs/dbraw/zinc/47/68/51/728476851.db2.gz RXOUESDONCPOKT-LLVKDONJSA-N 1 2 360.273 2.635 20 10 FFCDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cccc(Br)c1O ZINC000093610711 728476853 /nfs/dbraw/zinc/47/68/53/728476853.db2.gz RXOUESDONCPOKT-LLVKDONJSA-N 1 2 360.273 2.635 20 10 FFCDLO C[C@@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)[NH+]1CCSCC1 ZINC000124157135 728667284 /nfs/dbraw/zinc/66/72/84/728667284.db2.gz OYVBSHOFRFUTTL-HNNXBMFYSA-N 1 2 360.479 2.951 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000188664109 729390488 /nfs/dbraw/zinc/39/04/88/729390488.db2.gz OAJNHRMWXXNNGW-UHFFFAOYSA-N 1 2 371.432 2.945 20 10 FFCDLO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756682951 736352090 /nfs/dbraw/zinc/35/20/90/736352090.db2.gz BWGKYDILJFINJP-NSHDSACASA-N 1 2 350.365 2.760 20 10 FFCDLO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc(Br)c(F)cc1O ZINC000779069595 738433780 /nfs/dbraw/zinc/43/37/80/738433780.db2.gz WAQDECXRZCPVQT-SSDOTTSWSA-N 1 2 357.179 2.837 20 10 FFCDLO O=C1[C@@H]([NH2+]Cc2ccc(F)c(F)c2O)CCN1Cc1ccc(F)cc1 ZINC000877473969 732367975 /nfs/dbraw/zinc/36/79/75/732367975.db2.gz PGOFOGGXSWOBTO-HNNXBMFYSA-N 1 2 350.340 2.700 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823134 732442082 /nfs/dbraw/zinc/44/20/82/732442082.db2.gz VCRJITZBQONDFQ-JOYOIKCWSA-N 1 2 364.320 2.851 20 10 FFCDLO COc1c(O)c(C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823134 732442087 /nfs/dbraw/zinc/44/20/87/732442087.db2.gz VCRJITZBQONDFQ-JOYOIKCWSA-N 1 2 364.320 2.851 20 10 FFCDLO CO[C@]1(C[NH2+]Cc2cc(Cl)cc(Br)c2O)CCOC1 ZINC000708111477 734362591 /nfs/dbraw/zinc/36/25/91/734362591.db2.gz SAMDTJRTTBMVIH-ZDUSSCGKSA-N 1 2 350.640 2.703 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724593333 734386905 /nfs/dbraw/zinc/38/69/05/734386905.db2.gz XZAJRGIHEJSLNU-XWIASGKRSA-N 1 2 362.651 2.702 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000895073750 734960336 /nfs/dbraw/zinc/96/03/36/734960336.db2.gz JWFWHOHIXVGUDE-LBPRGKRZSA-N 1 2 367.222 2.770 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000895073750 734960338 /nfs/dbraw/zinc/96/03/38/734960338.db2.gz JWFWHOHIXVGUDE-LBPRGKRZSA-N 1 2 367.222 2.770 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000897558241 735247682 /nfs/dbraw/zinc/24/76/82/735247682.db2.gz GUJNXWCCQMNQFK-HNNXBMFYSA-N 1 2 366.259 2.770 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000897558241 735247686 /nfs/dbraw/zinc/24/76/86/735247686.db2.gz GUJNXWCCQMNQFK-HNNXBMFYSA-N 1 2 366.259 2.770 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000897561631 735248428 /nfs/dbraw/zinc/24/84/28/735248428.db2.gz ABJKNMNFBSCKJM-OAHLLOKOSA-N 1 2 366.259 2.770 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000897561631 735248432 /nfs/dbraw/zinc/24/84/32/735248432.db2.gz ABJKNMNFBSCKJM-OAHLLOKOSA-N 1 2 366.259 2.770 20 10 FFCDLO CC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CN1C(C)=O ZINC000752094606 735956758 /nfs/dbraw/zinc/95/67/58/735956758.db2.gz RPWHTULXRYDWBB-IRXDYDNUSA-N 1 2 350.434 2.955 20 10 FFCDLO CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CN1C(C)=O ZINC000752094606 735956761 /nfs/dbraw/zinc/95/67/61/735956761.db2.gz RPWHTULXRYDWBB-IRXDYDNUSA-N 1 2 350.434 2.955 20 10 FFCDLO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756410314 736328815 /nfs/dbraw/zinc/32/88/15/736328815.db2.gz GNTSQEOXZYVVNH-LLVKDONJSA-N 1 2 362.442 2.525 20 10 FFCDLO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756419640 736329586 /nfs/dbraw/zinc/32/95/86/736329586.db2.gz WCNJVKJMVDPRSD-MNOVXSKESA-N 1 2 361.255 2.665 20 10 FFCDLO C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)c(F)cc1O ZINC000756758017 736358961 /nfs/dbraw/zinc/35/89/61/736358961.db2.gz DPMDOQURCSLTCJ-JTQLQIEISA-N 1 2 362.239 2.734 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(CCc3cccs3)CC2)cc1OC ZINC000768442217 737423146 /nfs/dbraw/zinc/42/31/46/737423146.db2.gz KSBNPQLCOUVTTN-UHFFFAOYSA-N 1 2 362.495 2.831 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2nnnn2C2CC2)c1 ZINC000791010313 739523155 /nfs/dbraw/zinc/52/31/55/739523155.db2.gz WTPQAJNVTCZVSJ-SECBINFHSA-N 1 2 352.236 2.635 20 10 FFCDLO C[N@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000792165823 739645002 /nfs/dbraw/zinc/64/50/02/739645002.db2.gz LFAAKPUJTZFWAL-JTQLQIEISA-N 1 2 354.731 2.780 20 10 FFCDLO C[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000792165823 739645005 /nfs/dbraw/zinc/64/50/05/739645005.db2.gz LFAAKPUJTZFWAL-JTQLQIEISA-N 1 2 354.731 2.780 20 10 FFCDLO NC(=O)c1ccc(N2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC000792165914 739645057 /nfs/dbraw/zinc/64/50/57/739645057.db2.gz MMWXKCOLSXCLLL-UHFFFAOYSA-N 1 2 363.820 2.606 20 10 FFCDLO C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(Br)cc(F)c1O ZINC000806664658 741079674 /nfs/dbraw/zinc/07/96/74/741079674.db2.gz XBCKPNWTJDDAQF-VIFPVBQESA-N 1 2 350.228 2.732 20 10 FFCDLO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(Br)c3O)[C@H]2C1 ZINC000808448051 741226775 /nfs/dbraw/zinc/22/67/75/741226775.db2.gz WIOZSVRCZMVKQV-OFQRWUPVSA-N 1 2 367.287 2.891 20 10 FFCDLO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cccc(Cl)c2O)CC1 ZINC000809786241 741343596 /nfs/dbraw/zinc/34/35/96/741343596.db2.gz VIVCYYOQCIUANP-CYBMUJFWSA-N 1 2 374.934 2.928 20 10 FFCDLO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cccc(Cl)c2O)CC1 ZINC000809786241 741343601 /nfs/dbraw/zinc/34/36/01/741343601.db2.gz VIVCYYOQCIUANP-CYBMUJFWSA-N 1 2 374.934 2.928 20 10 FFCDLO Cc1cc(C)nc(N2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000816567071 742042957 /nfs/dbraw/zinc/04/29/57/742042957.db2.gz PNDRHCUZVYKNNV-UHFFFAOYSA-N 1 2 350.825 2.914 20 10 FFCDLO OCC1([C@H]([NH2+]Cc2cccc(Br)c2O)C2CC2)CCOCC1 ZINC000816657715 742051650 /nfs/dbraw/zinc/05/16/50/742051650.db2.gz YEAAORDKGBXZSF-MRXNPFEDSA-N 1 2 370.287 2.812 20 10 FFCDLO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000821064901 742583292 /nfs/dbraw/zinc/58/32/92/742583292.db2.gz INSRADCCFPTXKA-IINYFYTJSA-N 1 2 357.332 2.968 20 10 FFCDLO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC000824976527 743187959 /nfs/dbraw/zinc/18/79/59/743187959.db2.gz BUCGFJQZHVSUQJ-OAHLLOKOSA-N 1 2 374.300 2.555 20 10 FFCDLO O=S1(=O)CC[C@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC000824976527 743187963 /nfs/dbraw/zinc/18/79/63/743187963.db2.gz BUCGFJQZHVSUQJ-OAHLLOKOSA-N 1 2 374.300 2.555 20 10 FFCDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000826036401 743359286 /nfs/dbraw/zinc/35/92/86/743359286.db2.gz ICORUZWTOCSLFD-DEOSSOPVSA-N 1 2 373.902 2.630 20 10 FFCDLO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)c(F)cc1O ZINC000834892306 745921039 /nfs/dbraw/zinc/92/10/39/745921039.db2.gz QZJBNHKMLFNGRB-SDDRHHMPSA-N 1 2 373.266 2.808 20 10 FFCDLO O[C@@H]1COCC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839124278 746780931 /nfs/dbraw/zinc/78/09/31/746780931.db2.gz WDNZIZNTEHDXSR-HNNXBMFYSA-N 1 2 369.303 2.633 20 10 FFCDLO O[C@@H]1COCC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839124278 746780935 /nfs/dbraw/zinc/78/09/35/746780935.db2.gz WDNZIZNTEHDXSR-HNNXBMFYSA-N 1 2 369.303 2.633 20 10 FFCDLO C[C@H]([NH2+]CCCc1ncn(C)n1)c1cc(Br)cc(F)c1O ZINC000842903523 747717175 /nfs/dbraw/zinc/71/71/75/747717175.db2.gz QLMJXSBIFPYZQK-VIFPVBQESA-N 1 2 357.227 2.706 20 10 FFCDLO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)c(F)cc1O ZINC000846214293 748431872 /nfs/dbraw/zinc/43/18/72/748431872.db2.gz UYFVVTLVBXHBDO-ZUZCIYMTSA-N 1 2 362.239 2.876 20 10 FFCDLO O=[S@](CC[NH2+]Cc1cccc(Br)c1O)CC(F)(F)F ZINC000850348023 749346735 /nfs/dbraw/zinc/34/67/35/749346735.db2.gz CTGONDKYVIFTPL-LJQANCHMSA-N 1 2 360.195 2.555 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccc(F)cc1 ZINC000896573444 971593436 /nfs/dbraw/zinc/59/34/36/971593436.db2.gz USMCNNZPKVHSNL-QRWLVFNGSA-N 1 2 372.488 2.597 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccc(F)cc1 ZINC000896573444 971593441 /nfs/dbraw/zinc/59/34/41/971593441.db2.gz USMCNNZPKVHSNL-QRWLVFNGSA-N 1 2 372.488 2.597 20 10 FFCDLO CCn1c[nH+]c2c1CCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])C2 ZINC000896659538 971648663 /nfs/dbraw/zinc/64/86/63/971648663.db2.gz KZDJHRVDZLXJKY-FNORWQNLSA-N 1 2 356.382 2.560 20 10 FFCDLO C[N@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC(C)(CO)CO ZINC000255420372 965605562 /nfs/dbraw/zinc/60/55/62/965605562.db2.gz AOJGRWSLEPUPLP-UHFFFAOYSA-N 1 2 370.453 2.963 20 10 FFCDLO C[N@@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC(C)(CO)CO ZINC000255420372 965605572 /nfs/dbraw/zinc/60/55/72/965605572.db2.gz AOJGRWSLEPUPLP-UHFFFAOYSA-N 1 2 370.453 2.963 20 10 FFCDLO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)CC1 ZINC000177671876 969299129 /nfs/dbraw/zinc/29/91/29/969299129.db2.gz IDRYEMFDIITYOK-UHFFFAOYSA-N 1 2 369.465 2.796 20 10 FFCDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000066961883 975967550 /nfs/dbraw/zinc/96/75/50/975967550.db2.gz OMYVGPKVBWZNPS-UHFFFAOYSA-N 1 2 367.493 2.778 20 10 FFCDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000066961883 975967559 /nfs/dbraw/zinc/96/75/59/975967559.db2.gz OMYVGPKVBWZNPS-UHFFFAOYSA-N 1 2 367.493 2.778 20 10 FFCDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000877706109 1014693078 /nfs/dbraw/zinc/69/30/78/1014693078.db2.gz HMQRKLBFJIJAQM-INIZCTEOSA-N 1 2 351.450 2.866 20 10 FFCDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000877706109 1014693090 /nfs/dbraw/zinc/69/30/90/1014693090.db2.gz HMQRKLBFJIJAQM-INIZCTEOSA-N 1 2 351.450 2.866 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000057548280 984503430 /nfs/dbraw/zinc/50/34/30/984503430.db2.gz IZHYIQWHEVUPRG-SQGPQFPESA-N 1 2 359.514 2.901 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000920258354 990820877 /nfs/dbraw/zinc/82/08/77/990820877.db2.gz NASLEADGPVUDPG-UHFFFAOYSA-N 1 2 359.420 2.989 20 10 FFCDLO C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738225048 999622594 /nfs/dbraw/zinc/62/25/94/999622594.db2.gz QPTSYKOCRKOZLL-HNNXBMFYSA-N 1 2 354.450 2.712 20 10 FFCDLO C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738225048 999622596 /nfs/dbraw/zinc/62/25/96/999622596.db2.gz QPTSYKOCRKOZLL-HNNXBMFYSA-N 1 2 354.450 2.712 20 10 FFCDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OC)CC2)c(O)c1 ZINC000768252480 1000200733 /nfs/dbraw/zinc/20/07/33/1000200733.db2.gz PDSYSFKQOOLHMJ-UHFFFAOYSA-N 1 2 370.449 2.758 20 10 FFCDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774823215 1002810997 /nfs/dbraw/zinc/81/09/97/1002810997.db2.gz QTPNOICVXYZYJO-UHFFFAOYSA-N 1 2 373.409 2.942 20 10 FFCDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774823215 1002811019 /nfs/dbraw/zinc/81/10/19/1002811019.db2.gz QTPNOICVXYZYJO-UHFFFAOYSA-N 1 2 373.409 2.942 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CCc3[nH+]ccn3CC2)c1 ZINC001186839809 1003429521 /nfs/dbraw/zinc/42/95/21/1003429521.db2.gz HHUDVWJGKNYYEJ-UHFFFAOYSA-N 1 2 350.422 2.695 20 10 FFCDLO COc1ccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c(O)c1 ZINC000794390106 1003623704 /nfs/dbraw/zinc/62/37/04/1003623704.db2.gz WZYVNLWMAMYGDI-UHFFFAOYSA-N 1 2 371.462 2.907 20 10 FFCDLO COc1ccc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)c(OC)c1 ZINC000007356797 1005802049 /nfs/dbraw/zinc/80/20/49/1005802049.db2.gz LXDPPPGNDDPZMY-UHFFFAOYSA-N 1 2 371.481 2.518 20 10 FFCDLO COc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)c(OC)c1 ZINC000007356797 1005802052 /nfs/dbraw/zinc/80/20/52/1005802052.db2.gz LXDPPPGNDDPZMY-UHFFFAOYSA-N 1 2 371.481 2.518 20 10 FFCDLO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775253926 1007092357 /nfs/dbraw/zinc/09/23/57/1007092357.db2.gz CMSNMFIJIKPCLM-CABCVRRESA-N 1 2 360.458 2.855 20 10 FFCDLO COc1cc2c(cc1NC[C@H](O)C[NH+]1CCOCC1)oc1ccccc12 ZINC000819399890 1008116696 /nfs/dbraw/zinc/11/66/96/1008116696.db2.gz ZNVMNGNMLHKIGG-AWEZNQCLSA-N 1 2 356.422 2.700 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000115652766 1008222784 /nfs/dbraw/zinc/22/27/84/1008222784.db2.gz QZECPOFEJMSDKF-UHFFFAOYSA-N 1 2 355.486 2.636 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000861947289 1009638718 /nfs/dbraw/zinc/63/87/18/1009638718.db2.gz UQIROHKJRRJIJS-UHFFFAOYSA-N 1 2 364.449 2.542 20 10 FFCDLO CC[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000773876721 1009840142 /nfs/dbraw/zinc/84/01/42/1009840142.db2.gz BMLCYIKHJVSCPV-OALUTQOASA-N 1 2 359.514 2.575 20 10 FFCDLO CC[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[N@H+]1CCO[C@@H](CC)C1 ZINC000773876721 1009840156 /nfs/dbraw/zinc/84/01/56/1009840156.db2.gz BMLCYIKHJVSCPV-OALUTQOASA-N 1 2 359.514 2.575 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)c3cc(C)n(-c4ccccc4)c3C)C[C@@H]21 ZINC000794992377 1011185210 /nfs/dbraw/zinc/18/52/10/1011185210.db2.gz UMOOUECQXWQIPW-RUYXUALKSA-N 1 2 352.434 2.628 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)c3cc(C)n(-c4ccccc4)c3C)C[C@@H]21 ZINC000794992377 1011185216 /nfs/dbraw/zinc/18/52/16/1011185216.db2.gz UMOOUECQXWQIPW-RUYXUALKSA-N 1 2 352.434 2.628 20 10 FFCDLO O=C1C[C@@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001275230281 1012112308 /nfs/dbraw/zinc/11/23/08/1012112308.db2.gz YDFPIAUIMVJVNY-QGZVFWFLSA-N 1 2 360.351 2.893 20 10 FFCDLO C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000930744636 1020159225 /nfs/dbraw/zinc/15/92/25/1020159225.db2.gz MGBJSBOKANYVJQ-CQSZACIVSA-N 1 2 350.422 2.891 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)N[C@](C)(C3CCCC3)C2=O)cc1 ZINC000802723839 1020350682 /nfs/dbraw/zinc/35/06/82/1020350682.db2.gz HEHTULKXJCCOIU-HXUWFJFHSA-N 1 2 358.486 2.643 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)N[C@](C)(C3CCCC3)C2=O)cc1 ZINC000802723839 1020350696 /nfs/dbraw/zinc/35/06/96/1020350696.db2.gz HEHTULKXJCCOIU-HXUWFJFHSA-N 1 2 358.486 2.643 20 10 FFCDLO O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[NH2+]CC3(F)F)ccc(O)c21 ZINC001218007813 1032947786 /nfs/dbraw/zinc/94/77/86/1032947786.db2.gz VFWMNDIWQCMKIG-AWEZNQCLSA-N 1 2 359.328 2.544 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000756742820 1023752029 /nfs/dbraw/zinc/75/20/29/1023752029.db2.gz PJOMIUYNLVOXGO-CYBMUJFWSA-N 1 2 352.394 2.610 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@H]1C[N@H+](Cc2c(O)cccc2F)CCO1 ZINC001137832005 1033164635 /nfs/dbraw/zinc/16/46/35/1033164635.db2.gz WPWBRVJJYFZTTH-ZDUSSCGKSA-N 1 2 354.422 2.647 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137832005 1033164646 /nfs/dbraw/zinc/16/46/46/1033164646.db2.gz WPWBRVJJYFZTTH-ZDUSSCGKSA-N 1 2 354.422 2.647 20 10 FFCDLO CC(C)(C)OC(=O)N1CCO[C@H]2C[N@H+](Cc3c(O)cccc3F)CC[C@@H]21 ZINC001137832752 1033166164 /nfs/dbraw/zinc/16/61/64/1033166164.db2.gz GSZHQVXZJKJZCR-RDJZCZTQSA-N 1 2 366.433 2.742 20 10 FFCDLO CC(C)(C)OC(=O)N1CCO[C@H]2C[N@@H+](Cc3c(O)cccc3F)CC[C@@H]21 ZINC001137832752 1033166175 /nfs/dbraw/zinc/16/61/75/1033166175.db2.gz GSZHQVXZJKJZCR-RDJZCZTQSA-N 1 2 366.433 2.742 20 10 FFCDLO Oc1ccc(O)c(C[N@@H+]2CCc3onc(COc4ccccn4)c3C2)c1 ZINC001141158528 1025539185 /nfs/dbraw/zinc/53/91/85/1025539185.db2.gz CPOSCZBQKHZLLI-UHFFFAOYSA-N 1 2 353.378 2.618 20 10 FFCDLO Oc1ccc(O)c(C[N@H+]2CCc3onc(COc4ccccn4)c3C2)c1 ZINC001141158528 1025539197 /nfs/dbraw/zinc/53/91/97/1025539197.db2.gz CPOSCZBQKHZLLI-UHFFFAOYSA-N 1 2 353.378 2.618 20 10 FFCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000838742348 1026489029 /nfs/dbraw/zinc/48/90/29/1026489029.db2.gz JZEBMDUVZVSLEB-UHFFFAOYSA-N 1 2 355.486 2.795 20 10 FFCDLO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(F)c(F)c3O)CC2)n1 ZINC001204633586 1031395871 /nfs/dbraw/zinc/39/58/71/1031395871.db2.gz VIVYJJZYWNIHDC-UHFFFAOYSA-N 1 2 364.396 2.571 20 10 FFCDLO CCOc1ccnc(N2CCC[N@@H+](Cc3ccc(F)c(F)c3O)CC2)n1 ZINC001204633586 1031395884 /nfs/dbraw/zinc/39/58/84/1031395884.db2.gz VIVYJJZYWNIHDC-UHFFFAOYSA-N 1 2 364.396 2.571 20 10 FFCDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)Cc1ccc(N)cc1 ZINC001218797556 1033343492 /nfs/dbraw/zinc/34/34/92/1033343492.db2.gz FWZNOSNAXARSPA-UHFFFAOYSA-N 1 2 351.410 2.602 20 10 FFCDLO CC(C)C[C@@](C)([NH3+])C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218920143 1033409059 /nfs/dbraw/zinc/40/90/59/1033409059.db2.gz RIZWDMPRALETFV-OAQYLSRUSA-N 1 2 366.417 2.870 20 10 FFCDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(F)c1O ZINC001276945855 1033717079 /nfs/dbraw/zinc/71/70/79/1033717079.db2.gz UVLBPWACOJZCBF-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)c(F)c1O ZINC001276945855 1033717094 /nfs/dbraw/zinc/71/70/94/1033717094.db2.gz UVLBPWACOJZCBF-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cccc(F)c1O ZINC001138130517 1033818043 /nfs/dbraw/zinc/81/80/43/1033818043.db2.gz BMAMSWURNSMIIO-SFHVURJKSA-N 1 2 372.440 2.781 20 10 FFCDLO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cccc(F)c1O ZINC001138130517 1033818057 /nfs/dbraw/zinc/81/80/57/1033818057.db2.gz BMAMSWURNSMIIO-SFHVURJKSA-N 1 2 372.440 2.781 20 10 FFCDLO Brc1cc(C[N@@H+]2CC[C@]23CCOC3)ccc1N1CCOCC1 ZINC001138676969 1034537131 /nfs/dbraw/zinc/53/71/31/1034537131.db2.gz BIEBCSLVRDAHOA-QGZVFWFLSA-N 1 2 367.287 2.651 20 10 FFCDLO Brc1cc(C[N@H+]2CC[C@]23CCOC3)ccc1N1CCOCC1 ZINC001138676969 1034537136 /nfs/dbraw/zinc/53/71/36/1034537136.db2.gz BIEBCSLVRDAHOA-QGZVFWFLSA-N 1 2 367.287 2.651 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3ccc(OC)c(OC)n3)CC2)cc1 ZINC001139109171 1034945443 /nfs/dbraw/zinc/94/54/43/1034945443.db2.gz LATNGKPBXMRNQJ-UHFFFAOYSA-N 1 2 357.454 2.820 20 10 FFCDLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129208 1034958076 /nfs/dbraw/zinc/95/80/76/1034958076.db2.gz QNJRDBOJEFTPNY-INIZCTEOSA-N 1 2 358.438 2.688 20 10 FFCDLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129208 1034958085 /nfs/dbraw/zinc/95/80/85/1034958085.db2.gz QNJRDBOJEFTPNY-INIZCTEOSA-N 1 2 358.438 2.688 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001139129063 1034958192 /nfs/dbraw/zinc/95/81/92/1034958192.db2.gz NAIRMMHMMGRVOA-QGZVFWFLSA-N 1 2 370.449 2.784 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001139129063 1034958202 /nfs/dbraw/zinc/95/82/02/1034958202.db2.gz NAIRMMHMMGRVOA-QGZVFWFLSA-N 1 2 370.449 2.784 20 10 FFCDLO Cc1ccnc(N2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)c1 ZINC001139129380 1034958632 /nfs/dbraw/zinc/95/86/32/1034958632.db2.gz XPCPEJNRFMPIRQ-UHFFFAOYSA-N 1 2 365.433 2.833 20 10 FFCDLO CCN1CCC2(CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)C1=O ZINC001139133767 1034962892 /nfs/dbraw/zinc/96/28/92/1034962892.db2.gz PDMYEHQIQFLLGQ-UHFFFAOYSA-N 1 2 370.449 2.641 20 10 FFCDLO Oc1c(F)ccc(F)c1CN1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001139683376 1035197231 /nfs/dbraw/zinc/19/72/31/1035197231.db2.gz HWAQBRREOFBZQI-HNAYVOBHSA-N 1 2 366.452 2.993 20 10 FFCDLO Oc1c(F)ccc(F)c1CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001139683376 1035197233 /nfs/dbraw/zinc/19/72/33/1035197233.db2.gz HWAQBRREOFBZQI-HNAYVOBHSA-N 1 2 366.452 2.993 20 10 FFCDLO [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001139683376 1035197237 /nfs/dbraw/zinc/19/72/37/1035197237.db2.gz HWAQBRREOFBZQI-HNAYVOBHSA-N 1 2 366.452 2.993 20 10 FFCDLO [O-]c1c(F)ccc(F)c1C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001139683376 1035197239 /nfs/dbraw/zinc/19/72/39/1035197239.db2.gz HWAQBRREOFBZQI-HNAYVOBHSA-N 1 2 366.452 2.993 20 10 FFCDLO [O-]c1c(F)ccc(F)c1C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001139683376 1035197243 /nfs/dbraw/zinc/19/72/43/1035197243.db2.gz HWAQBRREOFBZQI-HNAYVOBHSA-N 1 2 366.452 2.993 20 10 FFCDLO [O-]c1c(F)ccc(F)c1C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001139683376 1035197245 /nfs/dbraw/zinc/19/72/45/1035197245.db2.gz HWAQBRREOFBZQI-HNAYVOBHSA-N 1 2 366.452 2.993 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203955 1035498681 /nfs/dbraw/zinc/49/86/81/1035498681.db2.gz JOJXBXRNMJFKRW-VKJFTORMSA-N 1 2 364.873 2.703 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203955 1035498686 /nfs/dbraw/zinc/49/86/86/1035498686.db2.gz JOJXBXRNMJFKRW-VKJFTORMSA-N 1 2 364.873 2.703 20 10 FFCDLO NC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)cc1 ZINC001140586000 1035671184 /nfs/dbraw/zinc/67/11/84/1035671184.db2.gz ZBOONCAIUKJWJS-OAHLLOKOSA-N 1 2 362.376 2.813 20 10 FFCDLO NC(=O)c1ccc(O[C@@H]2CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)cc1 ZINC001140586000 1035671193 /nfs/dbraw/zinc/67/11/93/1035671193.db2.gz ZBOONCAIUKJWJS-OAHLLOKOSA-N 1 2 362.376 2.813 20 10 FFCDLO COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232501 1035681595 /nfs/dbraw/zinc/68/15/95/1035681595.db2.gz RWHJRFGFGDSPTL-LJQANCHMSA-N 1 2 366.889 2.895 20 10 FFCDLO COC(C)(C)CN1CC[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232501 1035681603 /nfs/dbraw/zinc/68/16/03/1035681603.db2.gz RWHJRFGFGDSPTL-LJQANCHMSA-N 1 2 366.889 2.895 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232680 1035682502 /nfs/dbraw/zinc/68/25/02/1035682502.db2.gz WXOGCUIWNBYXIU-LIRRHRJNSA-N 1 2 366.889 2.895 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232680 1035682509 /nfs/dbraw/zinc/68/25/09/1035682509.db2.gz WXOGCUIWNBYXIU-LIRRHRJNSA-N 1 2 366.889 2.895 20 10 FFCDLO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001140660660 1035811506 /nfs/dbraw/zinc/81/15/06/1035811506.db2.gz ZKQLPFRKBMULMN-UHFFFAOYSA-N 1 2 370.424 2.949 20 10 FFCDLO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001140660660 1035811524 /nfs/dbraw/zinc/81/15/24/1035811524.db2.gz ZKQLPFRKBMULMN-UHFFFAOYSA-N 1 2 370.424 2.949 20 10 FFCDLO Oc1cc(Br)cc(F)c1CN1CCC([NH+]2CCOCC2)CC1 ZINC001233026845 1036266282 /nfs/dbraw/zinc/26/62/82/1036266282.db2.gz GPSGFULLUXTWMI-UHFFFAOYSA-N 1 2 373.266 2.590 20 10 FFCDLO O=C1CCC2(CC[NH+](Cc3c(O)cc(Br)cc3F)CC2)O1 ZINC001233031381 1036270213 /nfs/dbraw/zinc/27/02/13/1036270213.db2.gz CNHLPCWBNDHHGW-UHFFFAOYSA-N 1 2 358.207 2.965 20 10 FFCDLO CN1CCC2(CC[NH+](Cc3c(O)cc(Br)cc3F)CC2)C1=O ZINC001233030592 1036270361 /nfs/dbraw/zinc/27/03/61/1036270361.db2.gz ZSUSERHCOBLKCG-UHFFFAOYSA-N 1 2 371.250 2.738 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c(Cl)c1 ZINC001140927195 1036466635 /nfs/dbraw/zinc/46/66/35/1036466635.db2.gz IRJNSGBOSUIWKY-ZWKOTPCHSA-N 1 2 355.885 2.651 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c(Cl)c1 ZINC001140927195 1036466643 /nfs/dbraw/zinc/46/66/43/1036466643.db2.gz IRJNSGBOSUIWKY-ZWKOTPCHSA-N 1 2 355.885 2.651 20 10 FFCDLO CC[NH+]1CCC(Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229197417 1036547578 /nfs/dbraw/zinc/54/75/78/1036547578.db2.gz ORBYKSJTDOBABE-UHFFFAOYSA-N 1 2 367.401 2.736 20 10 FFCDLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233482417 1036649501 /nfs/dbraw/zinc/64/95/01/1036649501.db2.gz MWBWZJXWEUCVPR-INIZCTEOSA-N 1 2 357.406 2.901 20 10 FFCDLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482417 1036649507 /nfs/dbraw/zinc/64/95/07/1036649507.db2.gz MWBWZJXWEUCVPR-INIZCTEOSA-N 1 2 357.406 2.901 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485704 1036653345 /nfs/dbraw/zinc/65/33/45/1036653345.db2.gz HSFNWVISLZURRR-UHFFFAOYSA-N 1 2 354.406 2.862 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485704 1036653353 /nfs/dbraw/zinc/65/33/53/1036653353.db2.gz HSFNWVISLZURRR-UHFFFAOYSA-N 1 2 354.406 2.862 20 10 FFCDLO CC(C)[N@@H+]1CC[C@@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234750118 1037166266 /nfs/dbraw/zinc/16/62/66/1037166266.db2.gz YTCCFJFCLYJOKV-GFCCVEGCSA-N 1 2 371.389 2.925 20 10 FFCDLO CC(C)[N@H+]1CC[C@@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234750118 1037166273 /nfs/dbraw/zinc/16/62/73/1037166273.db2.gz YTCCFJFCLYJOKV-GFCCVEGCSA-N 1 2 371.389 2.925 20 10 FFCDLO OC[C@]1(F)CCC[N@@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235057741 1037330161 /nfs/dbraw/zinc/33/01/61/1037330161.db2.gz RUQPULJYQDBYTR-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO O=C1CCC[C@]2(CCC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)N1 ZINC001235062822 1037336637 /nfs/dbraw/zinc/33/66/37/1037336637.db2.gz YZTDNXIOQIMKGN-MRXNPFEDSA-N 1 2 371.250 2.929 20 10 FFCDLO O=C1CCC[C@]2(CCC[N@H+](Cc3cc(Br)cc(F)c3O)C2)N1 ZINC001235062822 1037336648 /nfs/dbraw/zinc/33/66/48/1037336648.db2.gz YZTDNXIOQIMKGN-MRXNPFEDSA-N 1 2 371.250 2.929 20 10 FFCDLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC001235066295 1037337020 /nfs/dbraw/zinc/33/70/20/1037337020.db2.gz GMVLSLSTXIPJIM-CYBMUJFWSA-N 1 2 359.239 2.737 20 10 FFCDLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC001235066295 1037337037 /nfs/dbraw/zinc/33/70/37/1037337037.db2.gz GMVLSLSTXIPJIM-CYBMUJFWSA-N 1 2 359.239 2.737 20 10 FFCDLO CC(=O)N1CCC([N@H+](C)Cc2cc(Br)cc(F)c2O)CC1 ZINC001235069333 1037339072 /nfs/dbraw/zinc/33/90/72/1037339072.db2.gz RMVBSHRDZOFHKZ-UHFFFAOYSA-N 1 2 359.239 2.737 20 10 FFCDLO CC(=O)N1CCC([N@@H+](C)Cc2cc(Br)cc(F)c2O)CC1 ZINC001235069333 1037339087 /nfs/dbraw/zinc/33/90/87/1037339087.db2.gz RMVBSHRDZOFHKZ-UHFFFAOYSA-N 1 2 359.239 2.737 20 10 FFCDLO O=C1CCC2(CC[NH+](Cc3cc(F)cc(Br)c3O)CC2)O1 ZINC001235303486 1037463834 /nfs/dbraw/zinc/46/38/34/1037463834.db2.gz NJAPYKQBZIIBPL-UHFFFAOYSA-N 1 2 358.207 2.965 20 10 FFCDLO CN1C(=O)CCC12CC[NH+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001235309966 1037465822 /nfs/dbraw/zinc/46/58/22/1037465822.db2.gz ZQMAUZDYRVGIQD-UHFFFAOYSA-N 1 2 371.250 2.881 20 10 FFCDLO CN(C)c1ccc(CN2CC[C@@]3(CCN(c4cccc[nH+]4)C3)C2=O)cc1 ZINC001277939981 1037507817 /nfs/dbraw/zinc/50/78/17/1037507817.db2.gz RPRVEFHKPAOMEN-NRFANRHFSA-N 1 2 350.466 2.777 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277507556 1037538597 /nfs/dbraw/zinc/53/85/97/1037538597.db2.gz QMMBOBZKMAQRHZ-XIKOKIGWSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277507556 1037538608 /nfs/dbraw/zinc/53/86/08/1037538608.db2.gz QMMBOBZKMAQRHZ-XIKOKIGWSA-N 1 2 370.852 2.787 20 10 FFCDLO Oc1cccc(F)c1C[NH2+]Cc1ncc(I)s1 ZINC001207623132 1037610298 /nfs/dbraw/zinc/61/02/98/1037610298.db2.gz RMIBDDRMXGXVJO-UHFFFAOYSA-N 1 2 364.183 2.882 20 10 FFCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC001231855006 1037954486 /nfs/dbraw/zinc/95/44/86/1037954486.db2.gz OBPSWHVFPHBMPU-UHFFFAOYSA-N 1 2 367.493 2.648 20 10 FFCDLO O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2O)N1Cc1cccnc1 ZINC001231910309 1038004358 /nfs/dbraw/zinc/00/43/58/1038004358.db2.gz MYECGPOMCAPPJG-IAGOWNOFSA-N 1 2 357.841 2.816 20 10 FFCDLO O=C1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(Cl)c2O)N1Cc1cccnc1 ZINC001231910309 1038004369 /nfs/dbraw/zinc/00/43/69/1038004369.db2.gz MYECGPOMCAPPJG-IAGOWNOFSA-N 1 2 357.841 2.816 20 10 FFCDLO COC[C@@H]1C[N@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236796812 1038277638 /nfs/dbraw/zinc/27/76/38/1038277638.db2.gz ZFKBFLPJHKAYSK-LBPRGKRZSA-N 1 2 351.834 2.534 20 10 FFCDLO COC[C@@H]1C[N@@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236796812 1038277644 /nfs/dbraw/zinc/27/76/44/1038277644.db2.gz ZFKBFLPJHKAYSK-LBPRGKRZSA-N 1 2 351.834 2.534 20 10 FFCDLO COc1ccc(CN2CC[NH+](CCc3ccccn3)CC2)c(O)c1Cl ZINC001236814352 1038288799 /nfs/dbraw/zinc/28/87/99/1038288799.db2.gz WLEWMMRIGNYEFL-UHFFFAOYSA-N 1 2 361.873 2.810 20 10 FFCDLO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236819606 1038290463 /nfs/dbraw/zinc/29/04/63/1038290463.db2.gz XKXQLVVKAQECBX-AWEZNQCLSA-N 1 2 370.877 2.514 20 10 FFCDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)ccc(Cl)c2Cl)O1 ZINC001237081618 1038438758 /nfs/dbraw/zinc/43/87/58/1038438758.db2.gz ZPGRGKFPNNKZGI-MRVWCRGKSA-N 1 2 359.253 2.519 20 10 FFCDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)ccc(Cl)c2Cl)O1 ZINC001237081618 1038438763 /nfs/dbraw/zinc/43/87/63/1038438763.db2.gz ZPGRGKFPNNKZGI-MRVWCRGKSA-N 1 2 359.253 2.519 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)cc1 ZINC001209520504 1038951650 /nfs/dbraw/zinc/95/16/50/1038951650.db2.gz ZRNLSYNAQPEPMP-UHFFFAOYSA-N 1 2 367.493 2.917 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)cc1 ZINC001209520504 1038951669 /nfs/dbraw/zinc/95/16/69/1038951669.db2.gz ZRNLSYNAQPEPMP-UHFFFAOYSA-N 1 2 367.493 2.917 20 10 FFCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001251142139 1038965681 /nfs/dbraw/zinc/96/56/81/1038965681.db2.gz GJJUAYPRJKUCPP-LJQANCHMSA-N 1 2 374.529 2.539 20 10 FFCDLO C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]2CC1 ZINC001278568628 1041203015 /nfs/dbraw/zinc/20/30/15/1041203015.db2.gz CHMLMZINFJXERM-IYBDPMFKSA-N 1 2 351.922 2.751 20 10 FFCDLO C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]2CC1 ZINC001278568628 1041203028 /nfs/dbraw/zinc/20/30/28/1041203028.db2.gz CHMLMZINFJXERM-IYBDPMFKSA-N 1 2 351.922 2.751 20 10 FFCDLO CCOC(=O)c1snnc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001214859391 1041597760 /nfs/dbraw/zinc/59/77/60/1041597760.db2.gz FAAZOSUEHXUXLG-UHFFFAOYSA-N 1 2 368.378 2.618 20 10 FFCDLO O=C(Nc1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cccc1F ZINC001279421870 1043093080 /nfs/dbraw/zinc/09/30/80/1043093080.db2.gz QULZYGGXCUIAFL-GASCZTMLSA-N 1 2 356.401 2.807 20 10 FFCDLO O=C(Nc1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cccc1F ZINC001279421870 1043093090 /nfs/dbraw/zinc/09/30/90/1043093090.db2.gz QULZYGGXCUIAFL-GASCZTMLSA-N 1 2 356.401 2.807 20 10 FFCDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(O)cc1O ZINC001279573718 1043280336 /nfs/dbraw/zinc/28/03/36/1043280336.db2.gz XYXGQSXKDSEKRM-BETUJISGSA-N 1 2 365.886 2.975 20 10 FFCDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(O)cc1O ZINC001279573718 1043280347 /nfs/dbraw/zinc/28/03/47/1043280347.db2.gz XYXGQSXKDSEKRM-BETUJISGSA-N 1 2 365.886 2.975 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCc3cc(C(=O)N4CC=CC4)[nH]c3C2)cc1 ZINC001279745015 1043576964 /nfs/dbraw/zinc/57/69/64/1043576964.db2.gz ZUIAVECDYRXIAV-UHFFFAOYSA-N 1 2 350.466 2.651 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCc3cc(C(=O)N4CC=CC4)[nH]c3C2)cc1 ZINC001279745015 1043576971 /nfs/dbraw/zinc/57/69/71/1043576971.db2.gz ZUIAVECDYRXIAV-UHFFFAOYSA-N 1 2 350.466 2.651 20 10 FFCDLO Cn1nncc1C[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001238167164 1043582698 /nfs/dbraw/zinc/58/26/98/1043582698.db2.gz NJAKWWLTRNNOML-UHFFFAOYSA-N 1 2 363.465 2.716 20 10 FFCDLO O=C(Nc1cn[nH]c1)c1cc2c([nH]1)C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001279981551 1044029238 /nfs/dbraw/zinc/02/92/38/1044029238.db2.gz CFRHXOLRTDPKIE-UHFFFAOYSA-N 1 2 371.828 2.907 20 10 FFCDLO O=C(Nc1cn[nH]c1)c1cc2c([nH]1)C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001279981551 1044029252 /nfs/dbraw/zinc/02/92/52/1044029252.db2.gz CFRHXOLRTDPKIE-UHFFFAOYSA-N 1 2 371.828 2.907 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC001322871389 1046255885 /nfs/dbraw/zinc/25/58/85/1046255885.db2.gz FZKAZIIEALHSQT-UHFFFAOYSA-N 1 2 367.493 2.832 20 10 FFCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1F ZINC001308788055 1052500261 /nfs/dbraw/zinc/50/02/61/1052500261.db2.gz OXAQBPLUWHRDNA-FQEVSTJZSA-N 1 2 373.447 2.964 20 10 FFCDLO CN(C)c1cc(F)c(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1F ZINC001308788055 1052500268 /nfs/dbraw/zinc/50/02/68/1052500268.db2.gz OXAQBPLUWHRDNA-FQEVSTJZSA-N 1 2 373.447 2.964 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1F ZINC001346164553 1052773672 /nfs/dbraw/zinc/77/36/72/1052773672.db2.gz UORJKZFETRGQLJ-UHFFFAOYSA-N 1 2 359.449 2.714 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC001335866331 1053611912 /nfs/dbraw/zinc/61/19/12/1053611912.db2.gz KYWOAFCTTXTTGC-UHFFFAOYSA-N 1 2 371.456 2.663 20 10 FFCDLO CCc1ccc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)[nH+]c1 ZINC001337832524 1055045612 /nfs/dbraw/zinc/04/56/12/1055045612.db2.gz SYKQDIKRAVOIFM-UHFFFAOYSA-N 1 2 357.454 2.996 20 10 FFCDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)ccn12 ZINC000847393977 1055688297 /nfs/dbraw/zinc/68/82/97/1055688297.db2.gz SUVSYILDGGDBQZ-INIZCTEOSA-N 1 2 364.449 2.970 20 10 FFCDLO COc1ccc(N2CC[C@@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)C2)cc1 ZINC000848228639 1059416610 /nfs/dbraw/zinc/41/66/10/1059416610.db2.gz DVYAHZASBJLBMB-INIZCTEOSA-N 1 2 364.449 2.908 20 10 FFCDLO COc1cccc(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1O ZINC001471181246 1064592761 /nfs/dbraw/zinc/59/27/61/1064592761.db2.gz UJVFJPSQNPASMO-QGZVFWFLSA-N 1 2 366.421 2.838 20 10 FFCDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001474356655 1065501900 /nfs/dbraw/zinc/50/19/00/1065501900.db2.gz PLVXIQKASWMUJS-OAHLLOKOSA-N 1 2 365.905 2.564 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC001584191418 1079319923 /nfs/dbraw/zinc/31/99/23/1079319923.db2.gz SEJILGNKGROCPF-QZTJIDSGSA-N 1 2 355.482 2.933 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC001584191418 1079319931 /nfs/dbraw/zinc/31/99/31/1079319931.db2.gz SEJILGNKGROCPF-QZTJIDSGSA-N 1 2 355.482 2.933 20 10 FFCDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C[C@@H]21 ZINC001560140632 1076234141 /nfs/dbraw/zinc/23/41/41/1076234141.db2.gz STGZCCHMKJLRFD-VNQPRFMTSA-N 1 2 351.830 2.879 20 10 FFCDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C[C@@H]21 ZINC001560140632 1076234144 /nfs/dbraw/zinc/23/41/44/1076234144.db2.gz STGZCCHMKJLRFD-VNQPRFMTSA-N 1 2 351.830 2.879 20 10 FFCDLO CCn1cc(C[N@H+](C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)cn1 ZINC001560639980 1076287171 /nfs/dbraw/zinc/28/71/71/1076287171.db2.gz IHWWPPJUXWXFPV-UHFFFAOYSA-N 1 2 358.417 2.952 20 10 FFCDLO CCn1cc(C[N@@H+](C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)cn1 ZINC001560639980 1076287172 /nfs/dbraw/zinc/28/71/72/1076287172.db2.gz IHWWPPJUXWXFPV-UHFFFAOYSA-N 1 2 358.417 2.952 20 10 FFCDLO C[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589951598 1080898764 /nfs/dbraw/zinc/89/87/64/1080898764.db2.gz HTRUFAPPEWWJGG-LLVKDONJSA-N 1 2 365.393 2.641 20 10 FFCDLO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cccc(-c2nn[nH]n2)c1O ZINC001589969766 1080912227 /nfs/dbraw/zinc/91/22/27/1080912227.db2.gz MXQZGGBGKNEDIV-SECBINFHSA-N 1 2 364.331 2.837 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589974429 1080915421 /nfs/dbraw/zinc/91/54/21/1080915421.db2.gz VRCBPFGUBVIQRJ-MEBBXXQBSA-N 1 2 355.373 2.886 20 10 FFCDLO CN(Cc1ccccc1O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000043862964 506792734 /nfs/dbraw/zinc/79/27/34/506792734.db2.gz GWGCRVJXOGDJRA-UHFFFAOYSA-N 1 2 369.465 2.566 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)c1O ZINC000373488321 512357190 /nfs/dbraw/zinc/35/71/90/512357190.db2.gz COMXMSYHGSCEGI-CQSZACIVSA-N 1 2 374.275 2.789 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@H](COC(C)C)C2)c1O ZINC000373488321 512357192 /nfs/dbraw/zinc/35/71/92/512357192.db2.gz COMXMSYHGSCEGI-CQSZACIVSA-N 1 2 374.275 2.789 20 10 FFCDLO c1cc(N2CCOCC2)ccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000110266715 508016991 /nfs/dbraw/zinc/01/69/91/508016991.db2.gz CCYPZQYKRBCJBX-UHFFFAOYSA-N 1 2 353.470 2.916 20 10 FFCDLO c1cc(N2CCOCC2)ccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000110266715 508016994 /nfs/dbraw/zinc/01/69/94/508016994.db2.gz CCYPZQYKRBCJBX-UHFFFAOYSA-N 1 2 353.470 2.916 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000264464933 509543592 /nfs/dbraw/zinc/54/35/92/509543592.db2.gz SKSJSWWCWKVIAM-HNNXBMFYSA-N 1 2 372.488 2.599 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc(OC)c1OC ZINC000183698906 509933072 /nfs/dbraw/zinc/93/30/72/509933072.db2.gz FPXJBKBMTOPFLY-UHFFFAOYSA-N 1 2 361.442 2.639 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000180601437 510007541 /nfs/dbraw/zinc/00/75/41/510007541.db2.gz CTZQOAGIGIRPTN-XBXARRHUSA-N 1 2 354.406 2.582 20 10 FFCDLO CN(Cc1ccc(N2CCOCC2)cc1)c1cc(N2CCCC2)[nH+]cn1 ZINC000277594695 510967200 /nfs/dbraw/zinc/96/72/00/510967200.db2.gz UONVGEFWSYECTQ-UHFFFAOYSA-N 1 2 353.470 2.550 20 10 FFCDLO CN(Cc1ccc(N2CCOCC2)cc1)c1cc(N2CCCC2)nc[nH+]1 ZINC000277594695 510967203 /nfs/dbraw/zinc/96/72/03/510967203.db2.gz UONVGEFWSYECTQ-UHFFFAOYSA-N 1 2 353.470 2.550 20 10 FFCDLO COc1c(O)c(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278291940 510988319 /nfs/dbraw/zinc/98/83/19/510988319.db2.gz UZYOYCLFAWDKFS-UHFFFAOYSA-N 1 2 359.382 2.688 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278291940 510988323 /nfs/dbraw/zinc/98/83/23/510988323.db2.gz UZYOYCLFAWDKFS-UHFFFAOYSA-N 1 2 359.382 2.688 20 10 FFCDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000294827789 511190606 /nfs/dbraw/zinc/19/06/06/511190606.db2.gz NDOJUJWMDGGEER-LJQANCHMSA-N 1 2 373.522 2.721 20 10 FFCDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000294827789 511190610 /nfs/dbraw/zinc/19/06/10/511190610.db2.gz NDOJUJWMDGGEER-LJQANCHMSA-N 1 2 373.522 2.721 20 10 FFCDLO COc1nccnc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296230319 511664905 /nfs/dbraw/zinc/66/49/05/511664905.db2.gz CERCNVLFGAKWNX-KBPBESRZSA-N 1 2 360.433 2.528 20 10 FFCDLO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000296413812 511733682 /nfs/dbraw/zinc/73/36/82/511733682.db2.gz LBIXMOFELRKJOT-DTWKUNHWSA-N 1 2 355.287 2.677 20 10 FFCDLO CC[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc(Cl)c1O ZINC000376902505 513040660 /nfs/dbraw/zinc/04/06/60/513040660.db2.gz JBKBYQVWPKVLTD-MIUNTBIASA-N 1 2 365.861 2.807 20 10 FFCDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccc(-c2nn[nH]n2)o1 ZINC000823733398 607386521 /nfs/dbraw/zinc/38/65/21/607386521.db2.gz WNJLQMIUCVBVPH-UHFFFAOYSA-N 1 2 351.366 2.961 20 10 FFCDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccc(-c2nn[nH]n2)o1 ZINC000823733398 607386528 /nfs/dbraw/zinc/38/65/28/607386528.db2.gz WNJLQMIUCVBVPH-UHFFFAOYSA-N 1 2 351.366 2.961 20 10 FFCDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093077825 728473676 /nfs/dbraw/zinc/47/36/76/728473676.db2.gz YTQIBJHSHLYLQM-CQSZACIVSA-N 1 2 365.905 2.611 20 10 FFCDLO O=C(NCCCSc1nccs1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000151582977 728746007 /nfs/dbraw/zinc/74/60/07/728746007.db2.gz DHFCKFDLVDHRKK-CYBMUJFWSA-N 1 2 363.512 2.598 20 10 FFCDLO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1csnn1 ZINC000193382984 729476816 /nfs/dbraw/zinc/47/68/16/729476816.db2.gz YKYVHHYGAJJORX-UHFFFAOYSA-N 1 2 358.389 2.683 20 10 FFCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856536411 730345383 /nfs/dbraw/zinc/34/53/83/730345383.db2.gz SPPWPIXPIZGCHF-UONOGXRCSA-N 1 2 363.820 2.535 20 10 FFCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856536411 730345386 /nfs/dbraw/zinc/34/53/86/730345386.db2.gz SPPWPIXPIZGCHF-UONOGXRCSA-N 1 2 363.820 2.535 20 10 FFCDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862362920 730691933 /nfs/dbraw/zinc/69/19/33/730691933.db2.gz HCERKEWVXRPSBY-HNNXBMFYSA-N 1 2 366.330 2.958 20 10 FFCDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862362920 730691934 /nfs/dbraw/zinc/69/19/34/730691934.db2.gz HCERKEWVXRPSBY-HNNXBMFYSA-N 1 2 366.330 2.958 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000866431491 731059783 /nfs/dbraw/zinc/05/97/83/731059783.db2.gz UKSOGUACQWIPMV-VIFPVBQESA-N 1 2 368.231 2.526 20 10 FFCDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC000876753077 732276847 /nfs/dbraw/zinc/27/68/47/732276847.db2.gz IDJUTOYTICGQCL-LLVKDONJSA-N 1 2 350.325 2.660 20 10 FFCDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC000876753077 732276850 /nfs/dbraw/zinc/27/68/50/732276850.db2.gz IDJUTOYTICGQCL-LLVKDONJSA-N 1 2 350.325 2.660 20 10 FFCDLO O=S(=O)(CCn1cc[nH+]c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000881912969 733134877 /nfs/dbraw/zinc/13/48/77/733134877.db2.gz PFZSQDLXFWKCLW-UHFFFAOYSA-N 1 2 363.483 2.753 20 10 FFCDLO COc1ccc(C[NH+]2CCN(CCc3cccs3)CC2)c(O)c1OC ZINC000891629969 734454029 /nfs/dbraw/zinc/45/40/29/734454029.db2.gz AQMQTWDJJLFGPI-UHFFFAOYSA-N 1 2 362.495 2.831 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000740900220 735097450 /nfs/dbraw/zinc/09/74/50/735097450.db2.gz MVYUSPMGVIFPQA-NWDGAFQWSA-N 1 2 362.289 2.600 20 10 FFCDLO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Br)cc(F)c1O ZINC000903215932 736056653 /nfs/dbraw/zinc/05/66/53/736056653.db2.gz QYKFTEHYSXIKHM-UWVGGRQHSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(F)cc(F)c1O ZINC000903433768 736093644 /nfs/dbraw/zinc/09/36/44/736093644.db2.gz FBERZJAYGCZPIB-PSASIEDQSA-N 1 2 370.787 2.749 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1COCCO1)c1cc(Br)cc(Cl)c1O ZINC000756434443 736330600 /nfs/dbraw/zinc/33/06/00/736330600.db2.gz NNSHRCCTMWFCKS-WPRPVWTQSA-N 1 2 350.640 2.874 20 10 FFCDLO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756578934 736344709 /nfs/dbraw/zinc/34/47/09/736344709.db2.gz YORYVNGCTKQBNN-SDBXPKJASA-N 1 2 352.656 2.856 20 10 FFCDLO COC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756595005 736345909 /nfs/dbraw/zinc/34/59/09/736345909.db2.gz SSNZBKQITJYIGZ-SCZZXKLOSA-N 1 2 352.656 2.856 20 10 FFCDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000762633152 736848497 /nfs/dbraw/zinc/84/84/97/736848497.db2.gz JGJSMEZJCCFVCM-ZDUSSCGKSA-N 1 2 357.859 2.729 20 10 FFCDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000762633152 736848501 /nfs/dbraw/zinc/84/85/01/736848501.db2.gz JGJSMEZJCCFVCM-ZDUSSCGKSA-N 1 2 357.859 2.729 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000769410294 737525660 /nfs/dbraw/zinc/52/56/60/737525660.db2.gz GQEWOTJYXBGZLO-CYBMUJFWSA-N 1 2 356.260 2.973 20 10 FFCDLO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)cc(F)c1O ZINC000774384898 737985876 /nfs/dbraw/zinc/98/58/76/737985876.db2.gz RKCRUSQFLRFDAV-NSHDSACASA-N 1 2 373.266 2.809 20 10 FFCDLO Cc1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c(O)c1O ZINC000785725340 738990746 /nfs/dbraw/zinc/99/07/46/738990746.db2.gz NPGWRDQVGHEDIQ-UHFFFAOYSA-N 1 2 360.841 2.848 20 10 FFCDLO Cc1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c(O)c1O ZINC000785725340 738990748 /nfs/dbraw/zinc/99/07/48/738990748.db2.gz NPGWRDQVGHEDIQ-UHFFFAOYSA-N 1 2 360.841 2.848 20 10 FFCDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000793608998 739799255 /nfs/dbraw/zinc/79/92/55/739799255.db2.gz MKSHJVKDNDESTQ-UHFFFAOYSA-N 1 2 366.870 2.512 20 10 FFCDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000793608998 739799259 /nfs/dbraw/zinc/79/92/59/739799259.db2.gz MKSHJVKDNDESTQ-UHFFFAOYSA-N 1 2 366.870 2.512 20 10 FFCDLO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000795826917 740067918 /nfs/dbraw/zinc/06/79/18/740067918.db2.gz CQDQMTDHRMFVST-GARJFASQSA-N 1 2 362.239 2.589 20 10 FFCDLO Cc1nccnc1N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000799735634 740446358 /nfs/dbraw/zinc/44/63/58/740446358.db2.gz BWPCPWODRRWQMP-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO Cc1cc(NC(=O)NCc2cc(Br)ccc2O)c(C)c[nH+]1 ZINC000806381199 741055868 /nfs/dbraw/zinc/05/58/68/741055868.db2.gz UCHXZYFLDSSJPI-UHFFFAOYSA-N 1 2 350.216 2.910 20 10 FFCDLO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(Br)c3O)[C@@H]2C1 ZINC000808448052 741226880 /nfs/dbraw/zinc/22/68/80/741226880.db2.gz WIOZSVRCZMVKQV-SQWLQELKSA-N 1 2 367.287 2.891 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000809708817 741334715 /nfs/dbraw/zinc/33/47/15/741334715.db2.gz HZXRSNLOOILSME-CABCVRRESA-N 1 2 368.861 2.915 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000809708817 741334721 /nfs/dbraw/zinc/33/47/21/741334721.db2.gz HZXRSNLOOILSME-CABCVRRESA-N 1 2 368.861 2.915 20 10 FFCDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809779375 741342881 /nfs/dbraw/zinc/34/28/81/741342881.db2.gz LBBBFOYKIKFGCV-GFCCVEGCSA-N 1 2 357.248 2.865 20 10 FFCDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809779375 741342886 /nfs/dbraw/zinc/34/28/86/741342886.db2.gz LBBBFOYKIKFGCV-GFCCVEGCSA-N 1 2 357.248 2.865 20 10 FFCDLO COC[C@]1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CCC[NH2+]1 ZINC000817973080 742225571 /nfs/dbraw/zinc/22/55/71/742225571.db2.gz BNXRSDQAKUJWHR-ZUZCIYMTSA-N 1 2 361.255 2.713 20 10 FFCDLO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000825045610 743200301 /nfs/dbraw/zinc/20/03/01/743200301.db2.gz IBJNMEQJLWDUKA-DOMZBBRYSA-N 1 2 366.259 2.898 20 10 FFCDLO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000839147972 746788376 /nfs/dbraw/zinc/78/83/76/746788376.db2.gz CUPJHNFISGPKIV-UHFFFAOYSA-N 1 2 372.849 2.773 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)cc(F)c1O ZINC000846206613 748430519 /nfs/dbraw/zinc/43/05/19/748430519.db2.gz QSZYWIXINVNLLV-UWVGGRQHSA-N 1 2 371.250 2.955 20 10 FFCDLO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)c(F)cc1O ZINC000846214286 748431910 /nfs/dbraw/zinc/43/19/10/748431910.db2.gz UYFVVTLVBXHBDO-BONVTDFDSA-N 1 2 362.239 2.876 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Br)cc(F)c1O ZINC000848573401 748963644 /nfs/dbraw/zinc/96/36/44/748963644.db2.gz ZMPUOXFBQHYJTP-KCJUWKMLSA-N 1 2 373.222 2.928 20 10 FFCDLO CCOC(=O)N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048794968 845178797 /nfs/dbraw/zinc/17/87/97/845178797.db2.gz UMPGFJPUBCOAMC-UHFFFAOYSA-N 1 2 357.248 2.865 20 10 FFCDLO Cc1nc2[nH]ccc2c(NCc2cc(F)c(N3CCOCC3)c(F)c2)[nH+]1 ZINC000840326876 971083467 /nfs/dbraw/zinc/08/34/67/971083467.db2.gz JYQAHNJYJCYULP-UHFFFAOYSA-N 1 2 359.380 2.993 20 10 FFCDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)cc1 ZINC001176063974 1013624435 /nfs/dbraw/zinc/62/44/35/1013624435.db2.gz JDSSFIWCAFDMSN-UHFFFAOYSA-N 1 2 354.450 2.927 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000177051951 968674278 /nfs/dbraw/zinc/67/42/78/968674278.db2.gz XOBAMERGOLYQAD-UHFFFAOYSA-N 1 2 372.538 2.595 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)c1O ZINC000177282024 969159067 /nfs/dbraw/zinc/15/90/67/969159067.db2.gz CAXOUEMRQDPMJN-SFHVURJKSA-N 1 2 356.397 2.971 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)c1O ZINC000177282024 969159078 /nfs/dbraw/zinc/15/90/78/969159078.db2.gz CAXOUEMRQDPMJN-SFHVURJKSA-N 1 2 356.397 2.971 20 10 FFCDLO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1O ZINC000874996908 1013943301 /nfs/dbraw/zinc/94/33/01/1013943301.db2.gz JDKACZKSCSXOAR-SJLPKXTDSA-N 1 2 369.465 2.653 20 10 FFCDLO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1O ZINC000874996908 1013943302 /nfs/dbraw/zinc/94/33/02/1013943302.db2.gz JDKACZKSCSXOAR-SJLPKXTDSA-N 1 2 369.465 2.653 20 10 FFCDLO Cc1cc(NCCNC(=O)N(C)Cc2ccccc2O)nc(C(C)C)[nH+]1 ZINC000875830766 1014085312 /nfs/dbraw/zinc/08/53/12/1014085312.db2.gz NCPFZZPAEHUFTJ-UHFFFAOYSA-N 1 2 357.458 2.868 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)cc1 ZINC000913472180 984275889 /nfs/dbraw/zinc/27/58/89/984275889.db2.gz QDCJXHFPWLLGHF-FQEVSTJZSA-N 1 2 363.465 2.614 20 10 FFCDLO COC(=O)[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000917158309 990160406 /nfs/dbraw/zinc/16/04/06/990160406.db2.gz ASRREPDCOQJNGX-HNNXBMFYSA-N 1 2 358.413 2.911 20 10 FFCDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000917158309 990160410 /nfs/dbraw/zinc/16/04/10/990160410.db2.gz ASRREPDCOQJNGX-HNNXBMFYSA-N 1 2 358.413 2.911 20 10 FFCDLO O=C([C@H]1CCc2c[nH+]cn2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000844134575 997676225 /nfs/dbraw/zinc/67/62/25/997676225.db2.gz MFAOCLLHHSKIRB-INIZCTEOSA-N 1 2 351.406 2.973 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000844399909 997860496 /nfs/dbraw/zinc/86/04/96/997860496.db2.gz SDDGFHAXQLEJTQ-INIZCTEOSA-N 1 2 366.469 2.800 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000844399909 997860501 /nfs/dbraw/zinc/86/05/01/997860501.db2.gz SDDGFHAXQLEJTQ-INIZCTEOSA-N 1 2 366.469 2.800 20 10 FFCDLO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)c(F)cc1O ZINC001144292940 998277310 /nfs/dbraw/zinc/27/73/10/998277310.db2.gz KACBBVMCALFMOQ-MRXNPFEDSA-N 1 2 371.250 2.881 20 10 FFCDLO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)c(F)cc1O ZINC001144292940 998277313 /nfs/dbraw/zinc/27/73/13/998277313.db2.gz KACBBVMCALFMOQ-MRXNPFEDSA-N 1 2 371.250 2.881 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001144306822 998301049 /nfs/dbraw/zinc/30/10/49/998301049.db2.gz RUXSUSWYGAHGOB-UHFFFAOYSA-N 1 2 361.230 2.912 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000828234787 999563030 /nfs/dbraw/zinc/56/30/30/999563030.db2.gz NGJDMXLNPQUQCC-OAHLLOKOSA-N 1 2 355.467 2.665 20 10 FFCDLO Cn1ncc2c1nc(C[N@H+](C)Cc1ccc(N3CCCCC3)cc1)[nH]c2=O ZINC000738300050 999624619 /nfs/dbraw/zinc/62/46/19/999624619.db2.gz TYUBHBIOWKEPAH-UHFFFAOYSA-N 1 2 366.469 2.691 20 10 FFCDLO Cn1ncc2c1nc(C[N@@H+](C)Cc1ccc(N3CCCCC3)cc1)[nH]c2=O ZINC000738300050 999624622 /nfs/dbraw/zinc/62/46/22/999624622.db2.gz TYUBHBIOWKEPAH-UHFFFAOYSA-N 1 2 366.469 2.691 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000741773168 999741345 /nfs/dbraw/zinc/74/13/45/999741345.db2.gz PTRMOLJUBRHYSY-NRFANRHFSA-N 1 2 365.477 2.931 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+](C)CC[C@@H](C)O)c2C)cc1 ZINC000744407010 999855718 /nfs/dbraw/zinc/85/57/18/999855718.db2.gz QOFGEHARHCKNKT-OAHLLOKOSA-N 1 2 372.465 2.766 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+](C)CC[C@@H](C)O)c2C)cc1 ZINC000744407010 999855722 /nfs/dbraw/zinc/85/57/22/999855722.db2.gz QOFGEHARHCKNKT-OAHLLOKOSA-N 1 2 372.465 2.766 20 10 FFCDLO Cc1cccn2cc(CCNC(=O)NCc3ccc(N(C)C)c(F)c3)[nH+]c12 ZINC000746753413 1001833342 /nfs/dbraw/zinc/83/33/42/1001833342.db2.gz CFCFOLWBCVIWQB-UHFFFAOYSA-N 1 2 369.444 2.890 20 10 FFCDLO COc1c(O)c(C[NH2+][C@@H](c2nccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774965817 1003157388 /nfs/dbraw/zinc/15/73/88/1003157388.db2.gz VJJKNIDJCHLINZ-MRXNPFEDSA-N 1 2 368.393 2.922 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000007115256 1005751524 /nfs/dbraw/zinc/75/15/24/1005751524.db2.gz JSZJJKHJDXNSDE-UHFFFAOYSA-N 1 2 366.509 2.533 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3cccc(F)n3)CC2)cc(OC)c1OC ZINC000851936443 1005924358 /nfs/dbraw/zinc/92/43/58/1005924358.db2.gz NAYBVMCFAPCOEL-UHFFFAOYSA-N 1 2 361.417 2.569 20 10 FFCDLO COC(=O)N1CCN(c2ccc(NCc3cccc(C)c3O)c[nH+]2)CC1 ZINC000816659657 1007155203 /nfs/dbraw/zinc/15/52/03/1007155203.db2.gz WBWZHSSUONGFMZ-UHFFFAOYSA-N 1 2 356.426 2.596 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(F)cc(F)c1O ZINC000858565694 1008383443 /nfs/dbraw/zinc/38/34/43/1008383443.db2.gz XICWHSUZGZQOMP-CZUORRHYSA-N 1 2 363.408 2.617 20 10 FFCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000016878168 1011124187 /nfs/dbraw/zinc/12/41/87/1011124187.db2.gz OGKVIEPDPMMVIS-OAQYLSRUSA-N 1 2 370.497 2.787 20 10 FFCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000016878168 1011124192 /nfs/dbraw/zinc/12/41/92/1011124192.db2.gz OGKVIEPDPMMVIS-OAQYLSRUSA-N 1 2 370.497 2.787 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N3[C@H](C)CCC[C@H]3C)CC2)cc1F ZINC000122106939 1011242019 /nfs/dbraw/zinc/24/20/19/1011242019.db2.gz CPTGGRJMVASGMI-HZPDHXFCSA-N 1 2 363.477 2.746 20 10 FFCDLO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cocn2)cc1 ZINC001275021323 1011823495 /nfs/dbraw/zinc/82/34/95/1011823495.db2.gz AVLXJNOIJZIXKV-RTBURBONSA-N 1 2 354.454 2.506 20 10 FFCDLO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cocn2)cc1 ZINC001275021323 1011823507 /nfs/dbraw/zinc/82/35/07/1011823507.db2.gz AVLXJNOIJZIXKV-RTBURBONSA-N 1 2 354.454 2.506 20 10 FFCDLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCCc1ccc(O)c(O)c1 ZINC001137464527 1018610163 /nfs/dbraw/zinc/61/01/63/1018610163.db2.gz DAKUMGFZGDOCFD-MRXNPFEDSA-N 1 2 351.406 2.702 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000725805031 1020266202 /nfs/dbraw/zinc/26/62/02/1020266202.db2.gz FCGQZOYROVDMQR-NRFANRHFSA-N 1 2 367.493 2.615 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000725805031 1020266212 /nfs/dbraw/zinc/26/62/12/1020266212.db2.gz FCGQZOYROVDMQR-NRFANRHFSA-N 1 2 367.493 2.615 20 10 FFCDLO COc1ccc(N2CCC(NC(=O)NCCCCn3cc[nH+]c3)CC2)cc1 ZINC000726614563 1020495438 /nfs/dbraw/zinc/49/54/38/1020495438.db2.gz XJSYQFOKGMNVKM-UHFFFAOYSA-N 1 2 371.485 2.640 20 10 FFCDLO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[NH2+]CC3(F)F)ccc(O)c21 ZINC001218007814 1032947480 /nfs/dbraw/zinc/94/74/80/1032947480.db2.gz VFWMNDIWQCMKIG-CQSZACIVSA-N 1 2 359.328 2.544 20 10 FFCDLO CN(C)c1cc(F)c(CNc2cccc(CN3CCOCC3)[nH+]2)cc1F ZINC001118801415 1022411707 /nfs/dbraw/zinc/41/17/07/1022411707.db2.gz RCXYTTOPXJNGGJ-UHFFFAOYSA-N 1 2 362.424 2.870 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC000756802027 1023755776 /nfs/dbraw/zinc/75/57/76/1023755776.db2.gz OYRCUMIDEPEEBW-CYBMUJFWSA-N 1 2 357.410 2.584 20 10 FFCDLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000779526200 1023955097 /nfs/dbraw/zinc/95/50/97/1023955097.db2.gz QIFXNSZTNKJRAH-PXAMLJHWSA-N 1 2 363.417 2.945 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001137837355 1033178392 /nfs/dbraw/zinc/17/83/92/1033178392.db2.gz CJPQOIJUAZXEQY-HNNXBMFYSA-N 1 2 368.412 2.834 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001137837355 1033178396 /nfs/dbraw/zinc/17/83/96/1033178396.db2.gz CJPQOIJUAZXEQY-HNNXBMFYSA-N 1 2 368.412 2.834 20 10 FFCDLO O=C1[C@@H]2CCC[N@H+](Cc3c(O)cccc3F)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001137838823 1033181622 /nfs/dbraw/zinc/18/16/22/1033181622.db2.gz LFFXEKKPQQNLCU-BEFAXECRSA-N 1 2 368.408 2.681 20 10 FFCDLO COc1ccc(N2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)cc1F ZINC000084866827 1025152698 /nfs/dbraw/zinc/15/26/98/1025152698.db2.gz XAWVSZQGTGGIBU-QGZVFWFLSA-N 1 2 366.383 2.968 20 10 FFCDLO CN1CCOc2cc(C[NH+]3CCN(CCOc4ccccc4)CC3)ccc21 ZINC001141142961 1025514551 /nfs/dbraw/zinc/51/45/51/1025514551.db2.gz IEMKZUWUDDXIIY-UHFFFAOYSA-N 1 2 367.493 2.712 20 10 FFCDLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(N(C)C)cc3)[nH+]cn2)C1 ZINC000840288896 1027035889 /nfs/dbraw/zinc/03/58/89/1027035889.db2.gz PCZDTEBXFLYWMI-ZMSDIMECSA-N 1 2 355.486 2.923 20 10 FFCDLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(N(C)C)cc3)nc[nH+]2)C1 ZINC000840288896 1027035899 /nfs/dbraw/zinc/03/58/99/1027035899.db2.gz PCZDTEBXFLYWMI-ZMSDIMECSA-N 1 2 355.486 2.923 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2nnn(CC3CC3)c21 ZINC001203622228 1030794012 /nfs/dbraw/zinc/79/40/12/1030794012.db2.gz VBITYWPERUBNID-MRXNPFEDSA-N 1 2 372.469 2.538 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2nnn(CC3CC3)c21 ZINC001203622228 1030794014 /nfs/dbraw/zinc/79/40/14/1030794014.db2.gz VBITYWPERUBNID-MRXNPFEDSA-N 1 2 372.469 2.538 20 10 FFCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H](C1)O2 ZINC001203651756 1030804805 /nfs/dbraw/zinc/80/48/05/1030804805.db2.gz UATJFKHTYGIRIC-GASCZTMLSA-N 1 2 368.861 2.866 20 10 FFCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H](C1)O2 ZINC001203651756 1030804820 /nfs/dbraw/zinc/80/48/20/1030804820.db2.gz UATJFKHTYGIRIC-GASCZTMLSA-N 1 2 368.861 2.866 20 10 FFCDLO CS(=O)(=O)c1cccc(C2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203884115 1030956109 /nfs/dbraw/zinc/95/61/09/1030956109.db2.gz SFWUVSHEFUYJLR-UHFFFAOYSA-N 1 2 361.463 2.881 20 10 FFCDLO COc1cccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1O ZINC001150543563 1031737008 /nfs/dbraw/zinc/73/70/08/1031737008.db2.gz PLUVWLWQESKZJO-MRXNPFEDSA-N 1 2 351.406 2.962 20 10 FFCDLO Cn1ncc2c1C[N@H+](Cc1cccc(F)c1O)C[C@H]2COc1cccnc1 ZINC001138124960 1033804299 /nfs/dbraw/zinc/80/42/99/1033804299.db2.gz FPWGTFYADRGGQG-HNNXBMFYSA-N 1 2 368.412 2.838 20 10 FFCDLO Cn1ncc2c1C[N@@H+](Cc1cccc(F)c1O)C[C@H]2COc1cccnc1 ZINC001138124960 1033804303 /nfs/dbraw/zinc/80/43/03/1033804303.db2.gz FPWGTFYADRGGQG-HNNXBMFYSA-N 1 2 368.412 2.838 20 10 FFCDLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129463 1034957999 /nfs/dbraw/zinc/95/79/99/1034957999.db2.gz AJQSOHDNKZERNY-AWEZNQCLSA-N 1 2 359.422 2.972 20 10 FFCDLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129463 1034958007 /nfs/dbraw/zinc/95/80/07/1034958007.db2.gz AJQSOHDNKZERNY-AWEZNQCLSA-N 1 2 359.422 2.972 20 10 FFCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001232257499 1035529583 /nfs/dbraw/zinc/52/95/83/1035529583.db2.gz FWHHPTMIFOEJPV-RYUDHWBXSA-N 1 2 354.834 2.945 20 10 FFCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(Cl)c(O)cc1O ZINC001232257499 1035529590 /nfs/dbraw/zinc/52/95/90/1035529590.db2.gz FWHHPTMIFOEJPV-RYUDHWBXSA-N 1 2 354.834 2.945 20 10 FFCDLO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4c(O)cc(F)cc4F)C[C@@H]32)N=C1C ZINC001140580559 1035658460 /nfs/dbraw/zinc/65/84/60/1035658460.db2.gz HBDHWWPGIGIHAT-XFHNUULXSA-N 1 2 363.408 2.532 20 10 FFCDLO CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4c(O)cc(F)cc4F)C[C@@H]32)N=C1C ZINC001140580559 1035658465 /nfs/dbraw/zinc/65/84/65/1035658465.db2.gz HBDHWWPGIGIHAT-XFHNUULXSA-N 1 2 363.408 2.532 20 10 FFCDLO O=C1N(C2COC2)CC[C@]12CCC[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC001277231926 1035675095 /nfs/dbraw/zinc/67/50/95/1035675095.db2.gz HXYMJIIETVWNIN-LJQANCHMSA-N 1 2 364.873 2.649 20 10 FFCDLO O=C1N(C2COC2)CC[C@]12CCC[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC001277231926 1035675102 /nfs/dbraw/zinc/67/51/02/1035675102.db2.gz HXYMJIIETVWNIN-LJQANCHMSA-N 1 2 364.873 2.649 20 10 FFCDLO COCCCN1CC[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232461 1035679970 /nfs/dbraw/zinc/67/99/70/1035679970.db2.gz QVMZZQJBZKBZOD-SFHVURJKSA-N 1 2 352.862 2.507 20 10 FFCDLO COCCCN1CC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232461 1035679973 /nfs/dbraw/zinc/67/99/73/1035679973.db2.gz QVMZZQJBZKBZOD-SFHVURJKSA-N 1 2 352.862 2.507 20 10 FFCDLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015844 1036253407 /nfs/dbraw/zinc/25/34/07/1036253407.db2.gz BROISHIQWZVTPY-YPMHNXCESA-N 1 2 352.431 2.681 20 10 FFCDLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015844 1036253420 /nfs/dbraw/zinc/25/34/20/1036253420.db2.gz BROISHIQWZVTPY-YPMHNXCESA-N 1 2 352.431 2.681 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001233026938 1036263574 /nfs/dbraw/zinc/26/35/74/1036263574.db2.gz IMTQNAWLFHOJJP-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001233026938 1036263579 /nfs/dbraw/zinc/26/35/79/1036263579.db2.gz IMTQNAWLFHOJJP-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001233026701 1036268693 /nfs/dbraw/zinc/26/86/93/1036268693.db2.gz DAXZIVYKBDPUNC-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001233026701 1036268709 /nfs/dbraw/zinc/26/87/09/1036268709.db2.gz DAXZIVYKBDPUNC-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO O=C1CCC2(CC[NH+](Cc3c(O)cc(Br)cc3F)CC2)N1 ZINC001233032524 1036271710 /nfs/dbraw/zinc/27/17/10/1036271710.db2.gz HTLDSMNZQPMVLM-UHFFFAOYSA-N 1 2 357.223 2.538 20 10 FFCDLO COc1ccc2c(c1O[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1C2=O ZINC001229243434 1036573011 /nfs/dbraw/zinc/57/30/11/1036573011.db2.gz UGJBLSBOVAHRRT-CYBMUJFWSA-N 1 2 351.402 2.944 20 10 FFCDLO COc1ccc2c(c1O[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccccc1C2=O ZINC001229243434 1036573019 /nfs/dbraw/zinc/57/30/19/1036573019.db2.gz UGJBLSBOVAHRRT-CYBMUJFWSA-N 1 2 351.402 2.944 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001235069318 1037339908 /nfs/dbraw/zinc/33/99/08/1037339908.db2.gz QHWGFNKTVJTHFX-UHFFFAOYSA-N 1 2 361.230 2.912 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)CC[C@H]21 ZINC001235074076 1037342965 /nfs/dbraw/zinc/34/29/65/1037342965.db2.gz DTTUGOHLJVBAGM-IINYFYTJSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)CC[C@H]21 ZINC001235074076 1037342977 /nfs/dbraw/zinc/34/29/77/1037342977.db2.gz DTTUGOHLJVBAGM-IINYFYTJSA-N 1 2 371.250 2.737 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300917 1037462556 /nfs/dbraw/zinc/46/25/56/1037462556.db2.gz AVJLJUIWBOUHOI-MWLCHTKSSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300917 1037462558 /nfs/dbraw/zinc/46/25/58/1037462558.db2.gz AVJLJUIWBOUHOI-MWLCHTKSSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC001236669501 1038183823 /nfs/dbraw/zinc/18/38/23/1038183823.db2.gz KDIYUERCBPCZRX-OSMZGAPFSA-N 1 2 354.244 2.989 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(C)cc(Br)c1O ZINC001236669501 1038183828 /nfs/dbraw/zinc/18/38/28/1038183828.db2.gz KDIYUERCBPCZRX-OSMZGAPFSA-N 1 2 354.244 2.989 20 10 FFCDLO CCOCc1nnn2c1C[N@H+](Cc1c(O)cc(OC)cc1Cl)CCC2 ZINC001236797981 1038277547 /nfs/dbraw/zinc/27/75/47/1038277547.db2.gz RGXCVEHWBNMNTJ-UHFFFAOYSA-N 1 2 366.849 2.588 20 10 FFCDLO CCOCc1nnn2c1C[N@@H+](Cc1c(O)cc(OC)cc1Cl)CCC2 ZINC001236797981 1038277553 /nfs/dbraw/zinc/27/75/53/1038277553.db2.gz RGXCVEHWBNMNTJ-UHFFFAOYSA-N 1 2 366.849 2.588 20 10 FFCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)CCN1C ZINC001248884995 1040493171 /nfs/dbraw/zinc/49/31/71/1040493171.db2.gz HVVUMUHDBGBHGN-OAHLLOKOSA-N 1 2 354.878 2.632 20 10 FFCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)CCN1C ZINC001248884995 1040493177 /nfs/dbraw/zinc/49/31/77/1040493177.db2.gz HVVUMUHDBGBHGN-OAHLLOKOSA-N 1 2 354.878 2.632 20 10 FFCDLO Oc1ccc(Br)cc1C[NH+]1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001278564756 1041187258 /nfs/dbraw/zinc/18/72/58/1041187258.db2.gz AVIBHJUHOFZZOD-UHFFFAOYSA-N 1 2 362.271 2.943 20 10 FFCDLO Oc1ccc(Br)cc1CN1CC2(CC[N@@H+]2Cc2ccc[nH]2)C1 ZINC001278564756 1041187269 /nfs/dbraw/zinc/18/72/69/1041187269.db2.gz AVIBHJUHOFZZOD-UHFFFAOYSA-N 1 2 362.271 2.943 20 10 FFCDLO Oc1ccc(Br)cc1CN1CC2(CC[N@H+]2Cc2ccc[nH]2)C1 ZINC001278564756 1041187274 /nfs/dbraw/zinc/18/72/74/1041187274.db2.gz AVIBHJUHOFZZOD-UHFFFAOYSA-N 1 2 362.271 2.943 20 10 FFCDLO CCn1ccnc1CN1CC2(C1)C[NH+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001279333896 1043008115 /nfs/dbraw/zinc/00/81/15/1043008115.db2.gz RRPFMUOEVULRJE-UHFFFAOYSA-N 1 2 373.932 2.940 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)cc1Cl ZINC001279571687 1043274549 /nfs/dbraw/zinc/27/45/49/1043274549.db2.gz NDNFPMHBKCCUNT-GASCZTMLSA-N 1 2 362.861 2.626 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)cc1Cl ZINC001279571687 1043274555 /nfs/dbraw/zinc/27/45/55/1043274555.db2.gz NDNFPMHBKCCUNT-GASCZTMLSA-N 1 2 362.861 2.626 20 10 FFCDLO COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)cc1Cl ZINC001279571687 1043274565 /nfs/dbraw/zinc/27/45/65/1043274565.db2.gz NDNFPMHBKCCUNT-GASCZTMLSA-N 1 2 362.861 2.626 20 10 FFCDLO COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)cc1Cl ZINC001279571687 1043274573 /nfs/dbraw/zinc/27/45/73/1043274573.db2.gz NDNFPMHBKCCUNT-GASCZTMLSA-N 1 2 362.861 2.626 20 10 FFCDLO Oc1cc(O)c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)cc1Cl ZINC001279571978 1043275933 /nfs/dbraw/zinc/27/59/33/1043275933.db2.gz DICGNKHZDVFWLS-QAPCUYQASA-N 1 2 352.862 2.579 20 10 FFCDLO Oc1cc(O)c(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)cc1Cl ZINC001279571978 1043275941 /nfs/dbraw/zinc/27/59/41/1043275941.db2.gz DICGNKHZDVFWLS-QAPCUYQASA-N 1 2 352.862 2.579 20 10 FFCDLO Oc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)cc1Cl ZINC001279571978 1043275947 /nfs/dbraw/zinc/27/59/47/1043275947.db2.gz DICGNKHZDVFWLS-QAPCUYQASA-N 1 2 352.862 2.579 20 10 FFCDLO Oc1cc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)cc1Cl ZINC001279571978 1043275956 /nfs/dbraw/zinc/27/59/56/1043275956.db2.gz DICGNKHZDVFWLS-QAPCUYQASA-N 1 2 352.862 2.579 20 10 FFCDLO COc1cc(C[NH+]2CC(Oc3ccc(F)c(F)c3)C2)c(O)c(OC)c1 ZINC001237675164 1043303618 /nfs/dbraw/zinc/30/36/18/1043303618.db2.gz AZVWIIPQGVIVKL-UHFFFAOYSA-N 1 2 351.349 2.951 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)cc1Br ZINC001237683599 1043310225 /nfs/dbraw/zinc/31/02/25/1043310225.db2.gz CWXQOCQWLNORAP-BETUJISGSA-N 1 2 369.303 2.757 20 10 FFCDLO Cc1cc(O)c(CN2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1Br ZINC001237683599 1043310227 /nfs/dbraw/zinc/31/02/27/1043310227.db2.gz CWXQOCQWLNORAP-BETUJISGSA-N 1 2 369.303 2.757 20 10 FFCDLO Cc1cc(O)c(CN2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1Br ZINC001237683599 1043310230 /nfs/dbraw/zinc/31/02/30/1043310230.db2.gz CWXQOCQWLNORAP-BETUJISGSA-N 1 2 369.303 2.757 20 10 FFCDLO CC[NH2+]Cc1cccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001237796568 1043364858 /nfs/dbraw/zinc/36/48/58/1043364858.db2.gz WLCYCTBUEKHRMB-UHFFFAOYSA-N 1 2 366.830 2.787 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(Cl)c1 ZINC001279666275 1043432425 /nfs/dbraw/zinc/43/24/25/1043432425.db2.gz ZMNMIEFRJFWCOS-GASCZTMLSA-N 1 2 366.889 2.882 20 10 FFCDLO Cc1cc(C)nc(N2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)n1 ZINC001237937651 1043444177 /nfs/dbraw/zinc/44/41/77/1043444177.db2.gz SRZNSIXWFVNSJZ-UHFFFAOYSA-N 1 2 350.825 2.914 20 10 FFCDLO CCn1ccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001279764492 1043607487 /nfs/dbraw/zinc/60/74/87/1043607487.db2.gz CRIVPZZLJXVFPX-CALCHBBNSA-N 1 2 354.454 2.527 20 10 FFCDLO CCn1ccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001279764492 1043607494 /nfs/dbraw/zinc/60/74/94/1043607494.db2.gz CRIVPZZLJXVFPX-CALCHBBNSA-N 1 2 354.454 2.527 20 10 FFCDLO O=S(=O)(N[C@H]1C[NH2+]CC1(F)F)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238883859 1043931189 /nfs/dbraw/zinc/93/11/89/1043931189.db2.gz YACCBGXPFDNAJS-IWKHNONTSA-N 1 2 366.393 2.987 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)cc1 ZINC001324299066 1045960143 /nfs/dbraw/zinc/96/01/43/1045960143.db2.gz SNGMSKPQDWMAFE-UHFFFAOYSA-N 1 2 353.466 2.524 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001541101897 1071053173 /nfs/dbraw/zinc/05/31/73/1071053173.db2.gz VSBIROQSDVGCCS-GASCZTMLSA-N 1 2 370.449 2.888 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001541101897 1071053179 /nfs/dbraw/zinc/05/31/79/1071053179.db2.gz VSBIROQSDVGCCS-GASCZTMLSA-N 1 2 370.449 2.888 20 10 FFCDLO CC[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[N@@H+]1CCO[C@H](CC)C1 ZINC001294870591 1049823868 /nfs/dbraw/zinc/82/38/68/1049823868.db2.gz XXXLUHXTWNRENK-VQIMIIECSA-N 1 2 360.498 2.777 20 10 FFCDLO CC[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[N@H+]1CCO[C@H](CC)C1 ZINC001294870591 1049823875 /nfs/dbraw/zinc/82/38/75/1049823875.db2.gz XXXLUHXTWNRENK-VQIMIIECSA-N 1 2 360.498 2.777 20 10 FFCDLO CCOC(=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1O ZINC001307863451 1052358022 /nfs/dbraw/zinc/35/80/22/1052358022.db2.gz UVWXNRYEFRQKNW-UHFFFAOYSA-N 1 2 374.393 2.745 20 10 FFCDLO CCOC(=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1O ZINC001307863451 1052358025 /nfs/dbraw/zinc/35/80/25/1052358025.db2.gz UVWXNRYEFRQKNW-UHFFFAOYSA-N 1 2 374.393 2.745 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC001347838897 1054368378 /nfs/dbraw/zinc/36/83/78/1054368378.db2.gz AQZUNIIFZNHZTL-KRWDZBQOSA-N 1 2 359.857 2.782 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC001347838897 1054368391 /nfs/dbraw/zinc/36/83/91/1054368391.db2.gz AQZUNIIFZNHZTL-KRWDZBQOSA-N 1 2 359.857 2.782 20 10 FFCDLO NC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)cn1 ZINC001461332459 1061291367 /nfs/dbraw/zinc/29/13/67/1061291367.db2.gz LBRBNPSTVIJBJE-UHFFFAOYSA-N 1 2 370.634 2.592 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001474142132 1065462489 /nfs/dbraw/zinc/46/24/89/1065462489.db2.gz AHAKWZNWCVQGCY-CQSZACIVSA-N 1 2 354.219 2.987 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC001584191417 1079319567 /nfs/dbraw/zinc/31/95/67/1079319567.db2.gz SEJILGNKGROCPF-MSOLQXFVSA-N 1 2 355.482 2.933 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC001584191417 1079319571 /nfs/dbraw/zinc/31/95/71/1079319571.db2.gz SEJILGNKGROCPF-MSOLQXFVSA-N 1 2 355.482 2.933 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589953362 1080900392 /nfs/dbraw/zinc/90/03/92/1080900392.db2.gz FNPXASHEQRHILA-QWHCGFSZSA-N 1 2 368.416 2.641 20 10 FFCDLO C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(-c2nn[nH]n2)c1O ZINC001589968917 1080910826 /nfs/dbraw/zinc/91/08/26/1080910826.db2.gz HUQXNPNHPNQJTR-GFCCVEGCSA-N 1 2 367.409 2.584 20 10 FFCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)c1O ZINC000177277589 509974015 /nfs/dbraw/zinc/97/40/15/509974015.db2.gz FCDIPZZRGJOKLU-UHFFFAOYSA-N 1 2 361.417 2.657 20 10 FFCDLO C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199605 510544961 /nfs/dbraw/zinc/54/49/61/510544961.db2.gz RWYDSPBCUUIELY-BBRMVZONSA-N 1 2 362.420 2.740 20 10 FFCDLO C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199605 510544969 /nfs/dbraw/zinc/54/49/69/510544969.db2.gz RWYDSPBCUUIELY-BBRMVZONSA-N 1 2 362.420 2.740 20 10 FFCDLO Fc1cc(C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)ccc1N1CCOCC1 ZINC000194990451 510623064 /nfs/dbraw/zinc/62/30/64/510623064.db2.gz FZMSBQRGTXYTPZ-IBGZPJMESA-N 1 2 367.428 2.660 20 10 FFCDLO Fc1cc(CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)ccc1N1CCOCC1 ZINC000194990451 510623072 /nfs/dbraw/zinc/62/30/72/510623072.db2.gz FZMSBQRGTXYTPZ-IBGZPJMESA-N 1 2 367.428 2.660 20 10 FFCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2c[nH+]cn2C)cc1 ZINC000276645603 510944473 /nfs/dbraw/zinc/94/44/73/510944473.db2.gz VPVTWPHJVORENB-FQEVSTJZSA-N 1 2 370.497 2.627 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000276907082 510949282 /nfs/dbraw/zinc/94/92/82/510949282.db2.gz OGTXLPTWSLGSIX-SJCJKPOMSA-N 1 2 373.384 2.891 20 10 FFCDLO C[C@H](c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1)[NH+]1CCOCC1 ZINC000294757236 511168225 /nfs/dbraw/zinc/16/82/25/511168225.db2.gz AWDBRRIIPHUTJV-GFCCVEGCSA-N 1 2 360.385 2.882 20 10 FFCDLO OCC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cccc(F)c1O ZINC000272254997 511481091 /nfs/dbraw/zinc/48/10/91/511481091.db2.gz IYXXDYYPXTWJKW-UHFFFAOYSA-N 1 2 355.413 2.771 20 10 FFCDLO OCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cccc(F)c1O ZINC000272254997 511481097 /nfs/dbraw/zinc/48/10/97/511481097.db2.gz IYXXDYYPXTWJKW-UHFFFAOYSA-N 1 2 355.413 2.771 20 10 FFCDLO CN(C)C(=O)C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccc(Cl)cc21 ZINC000283977113 511562814 /nfs/dbraw/zinc/56/28/14/511562814.db2.gz MMZHGTCNDUORHG-FVOPLDGLSA-N 1 2 358.829 2.685 20 10 FFCDLO CN(C)[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1c[nH+]cn1C ZINC000280690256 511564829 /nfs/dbraw/zinc/56/48/29/511564829.db2.gz DOKNFLMNPQVDGG-FQEVSTJZSA-N 1 2 369.513 2.672 20 10 FFCDLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302332238 511708443 /nfs/dbraw/zinc/70/84/43/511708443.db2.gz ADOZVBJMFLRMMK-JKSUJKDBSA-N 1 2 355.486 2.924 20 10 FFCDLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302332238 511708445 /nfs/dbraw/zinc/70/84/45/511708445.db2.gz ADOZVBJMFLRMMK-JKSUJKDBSA-N 1 2 355.486 2.924 20 10 FFCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000274908506 511984510 /nfs/dbraw/zinc/98/45/10/511984510.db2.gz JDRURKKLKYKAKJ-INIZCTEOSA-N 1 2 366.458 2.516 20 10 FFCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000274908506 511984513 /nfs/dbraw/zinc/98/45/13/511984513.db2.gz JDRURKKLKYKAKJ-INIZCTEOSA-N 1 2 366.458 2.516 20 10 FFCDLO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1=O ZINC000360023054 512063914 /nfs/dbraw/zinc/06/39/14/512063914.db2.gz QVVVKTUVNSFZNF-MGPLVRAMSA-N 1 2 372.252 2.509 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000375717896 512470032 /nfs/dbraw/zinc/47/00/32/512470032.db2.gz IOCJYTDEMMTQKA-CYBMUJFWSA-N 1 2 373.413 2.684 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000375717896 512470035 /nfs/dbraw/zinc/47/00/35/512470035.db2.gz IOCJYTDEMMTQKA-CYBMUJFWSA-N 1 2 373.413 2.684 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000898112291 735315425 /nfs/dbraw/zinc/31/54/25/735315425.db2.gz LYBJJPLXJDUFBP-CYBMUJFWSA-N 1 2 360.223 2.722 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000898264341 735334390 /nfs/dbraw/zinc/33/43/90/735334390.db2.gz YIJVIWQTJHPELZ-UHFFFAOYSA-N 1 2 372.650 2.825 20 10 FFCDLO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000091978439 728463729 /nfs/dbraw/zinc/46/37/29/728463729.db2.gz XADXRPMGSRDHRG-UHFFFAOYSA-N 1 2 361.423 2.628 20 10 FFCDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862349198 730690599 /nfs/dbraw/zinc/69/05/99/730690599.db2.gz SGFFBIQEMBIVIO-NSHDSACASA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862349198 730690601 /nfs/dbraw/zinc/69/06/01/730690601.db2.gz SGFFBIQEMBIVIO-NSHDSACASA-N 1 2 362.289 2.554 20 10 FFCDLO CCCn1cc(CN[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000865462601 730958363 /nfs/dbraw/zinc/95/83/63/730958363.db2.gz QIDSMPSCUAPWOT-INIZCTEOSA-N 1 2 363.893 2.801 20 10 FFCDLO CCCn1cc(CN[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000865462601 730958364 /nfs/dbraw/zinc/95/83/64/730958364.db2.gz QIDSMPSCUAPWOT-INIZCTEOSA-N 1 2 363.893 2.801 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)c1O ZINC000878874074 732607476 /nfs/dbraw/zinc/60/74/76/732607476.db2.gz FKVXHADZLFKLNE-MRXNPFEDSA-N 1 2 365.861 2.831 20 10 FFCDLO C[S@](=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCC1 ZINC000715720605 734372001 /nfs/dbraw/zinc/37/20/01/734372001.db2.gz JBKJCNBIDHLMJY-IBGZPJMESA-N 1 2 350.253 2.685 20 10 FFCDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(F)cc(F)c2O)c1 ZINC000894020871 734787712 /nfs/dbraw/zinc/78/77/12/734787712.db2.gz RRGSNVZZMICGIR-UHFFFAOYSA-N 1 2 353.365 2.682 20 10 FFCDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc(F)cc(F)c2O)c1 ZINC000894020871 734787714 /nfs/dbraw/zinc/78/77/14/734787714.db2.gz RRGSNVZZMICGIR-UHFFFAOYSA-N 1 2 353.365 2.682 20 10 FFCDLO COc1ccc(C[N@H+](C)Cc2csc(C(C)(C)O)n2)c(O)c1OC ZINC000894767606 734913515 /nfs/dbraw/zinc/91/35/15/734913515.db2.gz FJCBCPBGKCOMFS-UHFFFAOYSA-N 1 2 352.456 2.725 20 10 FFCDLO COc1ccc(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)c(O)c1OC ZINC000894767606 734913519 /nfs/dbraw/zinc/91/35/19/734913519.db2.gz FJCBCPBGKCOMFS-UHFFFAOYSA-N 1 2 352.456 2.725 20 10 FFCDLO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)c(F)cc1O ZINC000903212637 736056183 /nfs/dbraw/zinc/05/61/83/736056183.db2.gz IQQTUQBSVOQAHO-VHSXEESVSA-N 1 2 359.239 2.813 20 10 FFCDLO CC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756361904 736324940 /nfs/dbraw/zinc/32/49/40/736324940.db2.gz LMERRCZYNVVSHD-SECBINFHSA-N 1 2 359.239 2.955 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)c(F)cc1O ZINC000756533442 736339359 /nfs/dbraw/zinc/33/93/59/736339359.db2.gz HZVDSVDKZKIRJN-WDEREUQCSA-N 1 2 361.255 2.665 20 10 FFCDLO Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c(C)c[nH+]1 ZINC000767949806 737385715 /nfs/dbraw/zinc/38/57/15/737385715.db2.gz ZFLWXPPHXLBIMW-UHFFFAOYSA-N 1 2 356.495 2.995 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774907831 738039023 /nfs/dbraw/zinc/03/90/23/738039023.db2.gz HHNKIKGLVSJDBE-CYBMUJFWSA-N 1 2 352.387 2.615 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774907831 738039027 /nfs/dbraw/zinc/03/90/27/738039027.db2.gz HHNKIKGLVSJDBE-CYBMUJFWSA-N 1 2 352.387 2.615 20 10 FFCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000775702484 738114928 /nfs/dbraw/zinc/11/49/28/738114928.db2.gz XNTRPHFSGZDGJN-LLVKDONJSA-N 1 2 354.731 2.780 20 10 FFCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000775702484 738114932 /nfs/dbraw/zinc/11/49/32/738114932.db2.gz XNTRPHFSGZDGJN-LLVKDONJSA-N 1 2 354.731 2.780 20 10 FFCDLO CCOC(=O)[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C1CCOCC1 ZINC000789579256 739369840 /nfs/dbraw/zinc/36/98/40/739369840.db2.gz GDWHNZMUBWIBAE-OAHLLOKOSA-N 1 2 357.834 2.502 20 10 FFCDLO CC[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@@]2(CCOC2)O1 ZINC000793363221 739773712 /nfs/dbraw/zinc/77/37/12/739773712.db2.gz RGKXKXDXHKVBDL-CZUORRHYSA-N 1 2 356.260 2.925 20 10 FFCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@@]2(CCOC2)O1 ZINC000793363221 739773714 /nfs/dbraw/zinc/77/37/14/739773714.db2.gz RGKXKXDXHKVBDL-CZUORRHYSA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@@]2(CCCOC2)O1 ZINC000796031273 740093954 /nfs/dbraw/zinc/09/39/54/740093954.db2.gz IXNKGPJRQKQZLI-BLLLJJGKSA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@@]2(CCCOC2)O1 ZINC000796031273 740093959 /nfs/dbraw/zinc/09/39/59/740093959.db2.gz IXNKGPJRQKQZLI-BLLLJJGKSA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)cc(F)c1O ZINC000797033424 740205300 /nfs/dbraw/zinc/20/53/00/740205300.db2.gz VZGKVSZMZNZNHX-JTQLQIEISA-N 1 2 362.239 2.876 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000809686830 741331818 /nfs/dbraw/zinc/33/18/18/741331818.db2.gz MMJXDRMJWNJWOE-INIZCTEOSA-N 1 2 356.260 2.845 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000809686830 741331824 /nfs/dbraw/zinc/33/18/24/741331824.db2.gz MMJXDRMJWNJWOE-INIZCTEOSA-N 1 2 356.260 2.845 20 10 FFCDLO CCOC(=O)CC1([NH2+]Cc2cccc(Br)c2O)CCOCC1 ZINC000827758007 744972246 /nfs/dbraw/zinc/97/22/46/744972246.db2.gz URGLFBGNBZIZGX-UHFFFAOYSA-N 1 2 372.259 2.747 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000827826702 744985633 /nfs/dbraw/zinc/98/56/33/744985633.db2.gz KNIGJGSFAMHJIM-KYZUINATSA-N 1 2 351.038 2.530 20 10 FFCDLO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000834880978 745918162 /nfs/dbraw/zinc/91/81/62/745918162.db2.gz WNIOAXNJOPYRAP-AMJWSMQMSA-N 1 2 362.239 2.996 20 10 FFCDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840949975 747239207 /nfs/dbraw/zinc/23/92/07/747239207.db2.gz DNTALATWLFWEHJ-XMMPIXPASA-N 1 2 373.902 2.630 20 10 FFCDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841960618 747492983 /nfs/dbraw/zinc/49/29/83/747492983.db2.gz UOFAEHPLWZVTCG-HNNXBMFYSA-N 1 2 358.511 2.961 20 10 FFCDLO CCOc1ccc(O)c(C[NH2+][C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c1 ZINC000846110677 748408954 /nfs/dbraw/zinc/40/89/54/748408954.db2.gz YYDRUPKGZVVXEZ-JOQOYGCGSA-N 1 2 351.443 2.627 20 10 FFCDLO CCC(CC)[C@@H](C(=O)NCc1cc(Cl)ccc1O)[NH+]1CCOCC1 ZINC000846475773 748488358 /nfs/dbraw/zinc/48/83/58/748488358.db2.gz IZXQAJXOEAQQJC-KRWDZBQOSA-N 1 2 354.878 2.799 20 10 FFCDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cccc(O)c3O)CC2)cc1 ZINC000193097340 971763943 /nfs/dbraw/zinc/76/39/43/971763943.db2.gz NHOJMDJHOZYLLY-UHFFFAOYSA-N 1 2 355.438 2.563 20 10 FFCDLO CC(C)(C)C(=O)CN1CC[C@@]2(CCC[N@@H+]2Cc2c(O)cccc2F)C1=O ZINC001276031222 1013297481 /nfs/dbraw/zinc/29/74/81/1013297481.db2.gz FZPCOSGKMVDVFU-FQEVSTJZSA-N 1 2 362.445 2.713 20 10 FFCDLO CC(C)(C)C(=O)CN1CC[C@@]2(CCC[N@H+]2Cc2c(O)cccc2F)C1=O ZINC001276031222 1013297486 /nfs/dbraw/zinc/29/74/86/1013297486.db2.gz FZPCOSGKMVDVFU-FQEVSTJZSA-N 1 2 362.445 2.713 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000728285839 962294317 /nfs/dbraw/zinc/29/43/17/962294317.db2.gz XHQYFBQFMYRFNE-UHFFFAOYSA-N 1 2 355.482 2.935 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000728285839 962294334 /nfs/dbraw/zinc/29/43/34/962294334.db2.gz XHQYFBQFMYRFNE-UHFFFAOYSA-N 1 2 355.482 2.935 20 10 FFCDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001176859260 1013788015 /nfs/dbraw/zinc/78/80/15/1013788015.db2.gz BCTDUFWOKOWBMA-SFHVURJKSA-N 1 2 363.502 2.820 20 10 FFCDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001176859260 1013788023 /nfs/dbraw/zinc/78/80/23/1013788023.db2.gz BCTDUFWOKOWBMA-SFHVURJKSA-N 1 2 363.502 2.820 20 10 FFCDLO COc1ccc(N2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)c(OC)c1 ZINC000879463653 1015548570 /nfs/dbraw/zinc/54/85/70/1015548570.db2.gz KYNFODYDRJZRMD-AREMUKBSSA-N 1 2 374.506 2.634 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000180702864 991537240 /nfs/dbraw/zinc/53/72/40/991537240.db2.gz QSOQCPUAIKHIMI-FNORWQNLSA-N 1 2 354.406 2.582 20 10 FFCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC000809567347 994540001 /nfs/dbraw/zinc/54/00/01/994540001.db2.gz BJRWZNSFLJIEFU-OAQYLSRUSA-N 1 2 366.461 2.623 20 10 FFCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC000809567347 994540015 /nfs/dbraw/zinc/54/00/15/994540015.db2.gz BJRWZNSFLJIEFU-OAQYLSRUSA-N 1 2 366.461 2.623 20 10 FFCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2[nH+]ccn2c1 ZINC000738950100 999636551 /nfs/dbraw/zinc/63/65/51/999636551.db2.gz RGEAMJZMKYYWTP-UHFFFAOYSA-N 1 2 369.400 2.632 20 10 FFCDLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000743375192 999815273 /nfs/dbraw/zinc/81/52/73/999815273.db2.gz ULTSBGJZNXVTBH-UHFFFAOYSA-N 1 2 351.406 2.998 20 10 FFCDLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000743375192 999815270 /nfs/dbraw/zinc/81/52/70/999815270.db2.gz ULTSBGJZNXVTBH-UHFFFAOYSA-N 1 2 351.406 2.998 20 10 FFCDLO O=C(c1cccc2[nH+]ccn21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000770652693 1000880514 /nfs/dbraw/zinc/88/05/14/1000880514.db2.gz KLFUKDGOIOOAFJ-INIZCTEOSA-N 1 2 351.406 2.861 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC000786940024 1001650917 /nfs/dbraw/zinc/65/09/17/1001650917.db2.gz PSBCXBSJFWCMDF-ZDUSSCGKSA-N 1 2 352.394 2.610 20 10 FFCDLO COc1c(O)c(CN2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774814511 1002792627 /nfs/dbraw/zinc/79/26/27/1002792627.db2.gz LTOKIGZXFLIMFV-KRWDZBQOSA-N 1 2 357.410 2.798 20 10 FFCDLO COc1c(O)c(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774814511 1002792636 /nfs/dbraw/zinc/79/26/36/1002792636.db2.gz LTOKIGZXFLIMFV-KRWDZBQOSA-N 1 2 357.410 2.798 20 10 FFCDLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC001202399056 1005349725 /nfs/dbraw/zinc/34/97/25/1005349725.db2.gz UNLBVNZRDTVOEZ-VXGBXAGGSA-N 1 2 350.640 2.702 20 10 FFCDLO COc1cc(C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c(O)cc1C ZINC000814222201 1006212060 /nfs/dbraw/zinc/21/20/60/1006212060.db2.gz CDJGZXMNCIGCRA-UHFFFAOYSA-N 1 2 350.422 2.848 20 10 FFCDLO COc1cc(C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c(O)cc1C ZINC000814222201 1006212070 /nfs/dbraw/zinc/21/20/70/1006212070.db2.gz CDJGZXMNCIGCRA-UHFFFAOYSA-N 1 2 350.422 2.848 20 10 FFCDLO CCOc1ccc(C[NH+]2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000028812059 1007005272 /nfs/dbraw/zinc/00/52/72/1007005272.db2.gz AYSLHHVQXDAPQN-UHFFFAOYSA-N 1 2 370.449 2.837 20 10 FFCDLO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000817412189 1007591835 /nfs/dbraw/zinc/59/18/35/1007591835.db2.gz GDARCASZIQSGBU-MRXNPFEDSA-N 1 2 363.458 2.557 20 10 FFCDLO CC1(C)C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000817412189 1007591840 /nfs/dbraw/zinc/59/18/40/1007591840.db2.gz GDARCASZIQSGBU-MRXNPFEDSA-N 1 2 363.458 2.557 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CCn3c[nH+]cc32)CCCC1 ZINC000857975965 1008267020 /nfs/dbraw/zinc/26/70/20/1008267020.db2.gz UGXAQLMZUAWPFZ-KRWDZBQOSA-N 1 2 364.449 2.986 20 10 FFCDLO Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc2[nH+]1 ZINC000773855621 1009656998 /nfs/dbraw/zinc/65/69/98/1009656998.db2.gz GBVSPZSPKLLAEN-AWEZNQCLSA-N 1 2 365.437 2.525 20 10 FFCDLO COC1(CO)CC[NH+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000773934479 1010174870 /nfs/dbraw/zinc/17/48/70/1010174870.db2.gz JXBGZDRYJBQHEZ-UHFFFAOYSA-N 1 2 374.456 2.889 20 10 FFCDLO Cc1cc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)ccn1 ZINC001217055939 1032599443 /nfs/dbraw/zinc/59/94/43/1032599443.db2.gz CKCKYZMBDUPAMS-UHFFFAOYSA-N 1 2 352.394 2.645 20 10 FFCDLO CCc1ccc(C[C@H](C)[NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)cc1 ZINC001173236677 1012382550 /nfs/dbraw/zinc/38/25/50/1012382550.db2.gz BOWNGKBZPFRAPR-KSSFIOAISA-N 1 2 357.450 2.965 20 10 FFCDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)[nH]n1 ZINC001137443294 1018485942 /nfs/dbraw/zinc/48/59/42/1018485942.db2.gz KIFZUQIOOSJJDB-SFHVURJKSA-N 1 2 354.454 2.691 20 10 FFCDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)[nH]n1 ZINC001137443294 1018485952 /nfs/dbraw/zinc/48/59/52/1018485952.db2.gz KIFZUQIOOSJJDB-SFHVURJKSA-N 1 2 354.454 2.691 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000802109050 1019752648 /nfs/dbraw/zinc/75/26/48/1019752648.db2.gz IHHSNJHZVOSIFL-UHFFFAOYSA-N 1 2 363.502 2.815 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000802109050 1019752662 /nfs/dbraw/zinc/75/26/62/1019752662.db2.gz IHHSNJHZVOSIFL-UHFFFAOYSA-N 1 2 363.502 2.815 20 10 FFCDLO CC(C)OCc1noc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000929972737 1019784607 /nfs/dbraw/zinc/78/46/07/1019784607.db2.gz UHCPUWXBYLJQAW-MRXNPFEDSA-N 1 2 361.442 2.881 20 10 FFCDLO CC(C)OCc1noc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000929972737 1019784623 /nfs/dbraw/zinc/78/46/23/1019784623.db2.gz UHCPUWXBYLJQAW-MRXNPFEDSA-N 1 2 361.442 2.881 20 10 FFCDLO C[C@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000726257732 1020446737 /nfs/dbraw/zinc/44/67/37/1020446737.db2.gz AHGZEFFVROZINJ-SFHVURJKSA-N 1 2 374.529 2.539 20 10 FFCDLO C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000726257732 1020446742 /nfs/dbraw/zinc/44/67/42/1020446742.db2.gz AHGZEFFVROZINJ-SFHVURJKSA-N 1 2 374.529 2.539 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC001116417228 1021206486 /nfs/dbraw/zinc/20/64/86/1021206486.db2.gz FCFALJXNADRAIA-HDICACEKSA-N 1 2 359.514 2.712 20 10 FFCDLO CN(Cc1cccs1)c1ccc(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001119549364 1022850352 /nfs/dbraw/zinc/85/03/52/1022850352.db2.gz IYAWGENRFKIZRG-GOSISDBHSA-N 1 2 370.478 2.893 20 10 FFCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1O ZINC000189728656 1023330333 /nfs/dbraw/zinc/33/03/33/1023330333.db2.gz NFIIOADRXQBHDZ-UHFFFAOYSA-N 1 2 358.417 2.657 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001137834638 1033169371 /nfs/dbraw/zinc/16/93/71/1033169371.db2.gz NWRZIVIBKYEUNA-HNNXBMFYSA-N 1 2 368.412 2.834 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001137834638 1033169374 /nfs/dbraw/zinc/16/93/74/1033169374.db2.gz NWRZIVIBKYEUNA-HNNXBMFYSA-N 1 2 368.412 2.834 20 10 FFCDLO CN(C)c1noc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000191898581 1023935988 /nfs/dbraw/zinc/93/59/88/1023935988.db2.gz ZQDODJGXUJJIQC-UHFFFAOYSA-N 1 2 354.410 2.710 20 10 FFCDLO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@H+](Cc1c(O)cccc1F)CCO2 ZINC001137835490 1033173894 /nfs/dbraw/zinc/17/38/94/1033173894.db2.gz ILCAQTHWIKMAJD-HXUWFJFHSA-N 1 2 374.412 2.632 20 10 FFCDLO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@@H+](Cc1c(O)cccc1F)CCO2 ZINC001137835490 1033173902 /nfs/dbraw/zinc/17/39/02/1033173902.db2.gz ILCAQTHWIKMAJD-HXUWFJFHSA-N 1 2 374.412 2.632 20 10 FFCDLO COCC[NH+]1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000194606907 1024865373 /nfs/dbraw/zinc/86/53/73/1024865373.db2.gz KYVRRNGPJDNCQT-UHFFFAOYSA-N 1 2 373.472 2.680 20 10 FFCDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(N(C)C)cc3)[nH+]cn2)C1 ZINC000840288893 1027035532 /nfs/dbraw/zinc/03/55/32/1027035532.db2.gz PCZDTEBXFLYWMI-YQQAZPJKSA-N 1 2 355.486 2.923 20 10 FFCDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(N(C)C)cc3)nc[nH+]2)C1 ZINC000840288893 1027035534 /nfs/dbraw/zinc/03/55/34/1027035534.db2.gz PCZDTEBXFLYWMI-YQQAZPJKSA-N 1 2 355.486 2.923 20 10 FFCDLO COC(=O)c1ccccc1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000091923046 1027135368 /nfs/dbraw/zinc/13/53/68/1027135368.db2.gz UKMZDPPCBFZGJB-UHFFFAOYSA-N 1 2 358.413 2.943 20 10 FFCDLO CCN(Cc1ccccc1O)c1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001154889363 1028499228 /nfs/dbraw/zinc/49/92/28/1028499228.db2.gz XHTXXJBGZGHYJY-UHFFFAOYSA-N 1 2 368.485 2.804 20 10 FFCDLO CCN(Cc1ccccc1O)c1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC001154889363 1028499230 /nfs/dbraw/zinc/49/92/30/1028499230.db2.gz XHTXXJBGZGHYJY-UHFFFAOYSA-N 1 2 368.485 2.804 20 10 FFCDLO CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000784024778 1030424019 /nfs/dbraw/zinc/42/40/19/1030424019.db2.gz SFFVXVSPQMIBBI-UHFFFAOYSA-N 1 2 370.453 2.539 20 10 FFCDLO COC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)Cc2cn(C)nc21 ZINC001203639883 1030800697 /nfs/dbraw/zinc/80/06/97/1030800697.db2.gz LMHURKICSQXNPJ-ZDUSSCGKSA-N 1 2 366.259 2.634 20 10 FFCDLO COC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)Cc2cn(C)nc21 ZINC001203639883 1030800716 /nfs/dbraw/zinc/80/07/16/1030800716.db2.gz LMHURKICSQXNPJ-ZDUSSCGKSA-N 1 2 366.259 2.634 20 10 FFCDLO CCOc1ccccc1N1CC[NH+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204341894 1031236631 /nfs/dbraw/zinc/23/66/31/1031236631.db2.gz IDLNCOMBUKVXKT-UHFFFAOYSA-N 1 2 358.438 2.827 20 10 FFCDLO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(F)c1O ZINC001276949340 1033731349 /nfs/dbraw/zinc/73/13/49/1033731349.db2.gz RDZIVCBMVDPOHJ-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)c(F)c1O ZINC001276949340 1033731363 /nfs/dbraw/zinc/73/13/63/1033731363.db2.gz RDZIVCBMVDPOHJ-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001138123999 1033800691 /nfs/dbraw/zinc/80/06/91/1033800691.db2.gz VHSRXDPQJAHVAI-HXUWFJFHSA-N 1 2 357.429 2.798 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001138123999 1033800708 /nfs/dbraw/zinc/80/07/08/1033800708.db2.gz VHSRXDPQJAHVAI-HXUWFJFHSA-N 1 2 357.429 2.798 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001138127908 1033811313 /nfs/dbraw/zinc/81/13/13/1033811313.db2.gz VBLTVTLUPUUMPP-HNNXBMFYSA-N 1 2 368.412 2.834 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001138127908 1033811323 /nfs/dbraw/zinc/81/13/23/1033811323.db2.gz VBLTVTLUPUUMPP-HNNXBMFYSA-N 1 2 368.412 2.834 20 10 FFCDLO C[N@H+](Cc1ccon1)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138681081 1034541001 /nfs/dbraw/zinc/54/10/01/1034541001.db2.gz UGIXSWDJOYQRIU-UHFFFAOYSA-N 1 2 366.259 2.906 20 10 FFCDLO C[N@@H+](Cc1ccon1)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138681081 1034541012 /nfs/dbraw/zinc/54/10/12/1034541012.db2.gz UGIXSWDJOYQRIU-UHFFFAOYSA-N 1 2 366.259 2.906 20 10 FFCDLO CCOC(=O)CC1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139124893 1034955089 /nfs/dbraw/zinc/95/50/89/1034955089.db2.gz HOZBCJZIPAKICR-UHFFFAOYSA-N 1 2 359.422 2.972 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001139130704 1034960212 /nfs/dbraw/zinc/96/02/12/1034960212.db2.gz HLQDTLKNDQUHFY-KRWDZBQOSA-N 1 2 351.349 2.807 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001139130704 1034960217 /nfs/dbraw/zinc/96/02/17/1034960217.db2.gz HLQDTLKNDQUHFY-KRWDZBQOSA-N 1 2 351.349 2.807 20 10 FFCDLO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000834514797 1035402456 /nfs/dbraw/zinc/40/24/56/1035402456.db2.gz WEIBXCUTINEDKC-UHFFFAOYSA-N 1 2 372.469 2.731 20 10 FFCDLO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000834514797 1035402457 /nfs/dbraw/zinc/40/24/57/1035402457.db2.gz WEIBXCUTINEDKC-UHFFFAOYSA-N 1 2 372.469 2.731 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)cc1 ZINC000835073015 1035509857 /nfs/dbraw/zinc/50/98/57/1035509857.db2.gz LXWPMQKWPFJMLO-QGZVFWFLSA-N 1 2 369.513 2.911 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)cc1 ZINC000835073015 1035509861 /nfs/dbraw/zinc/50/98/61/1035509861.db2.gz LXWPMQKWPFJMLO-QGZVFWFLSA-N 1 2 369.513 2.911 20 10 FFCDLO Oc1cc(O)c(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1Cl ZINC001232258210 1035529460 /nfs/dbraw/zinc/52/94/60/1035529460.db2.gz SNOWHAVOFDCKDI-IYBDPMFKSA-N 1 2 359.857 2.710 20 10 FFCDLO Oc1cc(O)c(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1Cl ZINC001232258210 1035529467 /nfs/dbraw/zinc/52/94/67/1035529467.db2.gz SNOWHAVOFDCKDI-IYBDPMFKSA-N 1 2 359.857 2.710 20 10 FFCDLO Oc1cc(O)c(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1Cl ZINC001232258210 1035529481 /nfs/dbraw/zinc/52/94/81/1035529481.db2.gz SNOWHAVOFDCKDI-IYBDPMFKSA-N 1 2 359.857 2.710 20 10 FFCDLO Oc1cc(O)c(CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1Cl ZINC001232258210 1035529491 /nfs/dbraw/zinc/52/94/91/1035529491.db2.gz SNOWHAVOFDCKDI-IYBDPMFKSA-N 1 2 359.857 2.710 20 10 FFCDLO COCCN1CC[N@H+](Cc2cc(Cl)c(O)cc2O)Cc2cccnc21 ZINC001232260023 1035531403 /nfs/dbraw/zinc/53/14/03/1035531403.db2.gz NZYJKOCQIBVMBC-UHFFFAOYSA-N 1 2 363.845 2.615 20 10 FFCDLO COCCN1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)Cc2cccnc21 ZINC001232260023 1035531410 /nfs/dbraw/zinc/53/14/10/1035531410.db2.gz NZYJKOCQIBVMBC-UHFFFAOYSA-N 1 2 363.845 2.615 20 10 FFCDLO Oc1cc(O)c(C[N@H+]2CCc3onc(Cn4cccn4)c3C2)cc1Cl ZINC001232261473 1035533577 /nfs/dbraw/zinc/53/35/77/1035533577.db2.gz IKFGIJJYDNVCPI-UHFFFAOYSA-N 1 2 360.801 2.542 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001140581391 1035661079 /nfs/dbraw/zinc/66/10/79/1035661079.db2.gz QXZBPFOOPVAKDE-WDSOQIARSA-N 1 2 362.376 2.876 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001140581391 1035661084 /nfs/dbraw/zinc/66/10/84/1035661084.db2.gz QXZBPFOOPVAKDE-WDSOQIARSA-N 1 2 362.376 2.876 20 10 FFCDLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015843 1036253247 /nfs/dbraw/zinc/25/32/47/1036253247.db2.gz BROISHIQWZVTPY-WCQYABFASA-N 1 2 352.431 2.681 20 10 FFCDLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015843 1036253253 /nfs/dbraw/zinc/25/32/53/1036253253.db2.gz BROISHIQWZVTPY-WCQYABFASA-N 1 2 352.431 2.681 20 10 FFCDLO CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001233076437 1036322369 /nfs/dbraw/zinc/32/23/69/1036322369.db2.gz ODTNTMAQLABHFC-LJQANCHMSA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001233076437 1036322385 /nfs/dbraw/zinc/32/23/85/1036322385.db2.gz ODTNTMAQLABHFC-LJQANCHMSA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001233076437 1036322397 /nfs/dbraw/zinc/32/23/97/1036322397.db2.gz ODTNTMAQLABHFC-LJQANCHMSA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001233076437 1036322413 /nfs/dbraw/zinc/32/24/13/1036322413.db2.gz ODTNTMAQLABHFC-LJQANCHMSA-N 1 2 354.441 2.993 20 10 FFCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC001233335192 1036540777 /nfs/dbraw/zinc/54/07/77/1036540777.db2.gz KWVNETVNESOXGR-UHFFFAOYSA-N 1 2 362.376 2.764 20 10 FFCDLO CC[N@@H+]1CCC[C@@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229197780 1036548781 /nfs/dbraw/zinc/54/87/81/1036548781.db2.gz QFDPWHFBWDNUMG-GFCCVEGCSA-N 1 2 367.401 2.736 20 10 FFCDLO CC[N@H+]1CCC[C@@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229197780 1036548784 /nfs/dbraw/zinc/54/87/84/1036548784.db2.gz QFDPWHFBWDNUMG-GFCCVEGCSA-N 1 2 367.401 2.736 20 10 FFCDLO O=C([C@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1O)N1CCOCC1 ZINC001233418634 1036610766 /nfs/dbraw/zinc/61/07/66/1036610766.db2.gz PEIXCYIQDLFJCA-OAHLLOKOSA-N 1 2 372.387 2.624 20 10 FFCDLO O=C([C@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1O)N1CCOCC1 ZINC001233418634 1036610768 /nfs/dbraw/zinc/61/07/68/1036610768.db2.gz PEIXCYIQDLFJCA-OAHLLOKOSA-N 1 2 372.387 2.624 20 10 FFCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1cc(O)c(O)cc1O ZINC001233486355 1036655733 /nfs/dbraw/zinc/65/57/33/1036655733.db2.gz KDPJQWLHXPAYSY-VXGBXAGGSA-N 1 2 352.431 2.633 20 10 FFCDLO COCCCN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388674 1036684256 /nfs/dbraw/zinc/68/42/56/1036684256.db2.gz ZDKQPRLTVUXROI-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO COCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388674 1036684267 /nfs/dbraw/zinc/68/42/67/1036684267.db2.gz ZDKQPRLTVUXROI-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)CC[C@@H]21 ZINC001235074069 1037341446 /nfs/dbraw/zinc/34/14/46/1037341446.db2.gz DTTUGOHLJVBAGM-HZMBPMFUSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)CC[C@@H]21 ZINC001235074069 1037341471 /nfs/dbraw/zinc/34/14/71/1037341471.db2.gz DTTUGOHLJVBAGM-HZMBPMFUSA-N 1 2 371.250 2.737 20 10 FFCDLO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)cc(Cl)c2O)C1=O ZINC001277509113 1037547858 /nfs/dbraw/zinc/54/78/58/1037547858.db2.gz AOPKCLJSJHBXSX-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO COCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)cc(Cl)c2O)C1=O ZINC001277509113 1037547871 /nfs/dbraw/zinc/54/78/71/1037547871.db2.gz AOPKCLJSJHBXSX-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC001231849704 1037947016 /nfs/dbraw/zinc/94/70/16/1037947016.db2.gz WSHJADMLDHNADV-UHFFFAOYSA-N 1 2 353.466 2.719 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001231853220 1037951465 /nfs/dbraw/zinc/95/14/65/1037951465.db2.gz VWMBJTLBKFHAND-UHFFFAOYSA-N 1 2 370.497 2.900 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001231853220 1037951469 /nfs/dbraw/zinc/95/14/69/1037951469.db2.gz VWMBJTLBKFHAND-UHFFFAOYSA-N 1 2 370.497 2.900 20 10 FFCDLO O=C(c1cccnc1)N1C[C@@H]2C[NH+](Cc3cccc(Cl)c3O)C[C@H]2C1 ZINC001231912268 1038008553 /nfs/dbraw/zinc/00/85/53/1038008553.db2.gz YPMGOJOGPNHREZ-HOTGVXAUSA-N 1 2 357.841 2.645 20 10 FFCDLO COC(=O)[C@@H]1COCCC12C[NH+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236798086 1038277571 /nfs/dbraw/zinc/27/75/71/1038277571.db2.gz FZHRBHHHWPPSNY-NSHDSACASA-N 1 2 360.237 2.711 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023143 1038330894 /nfs/dbraw/zinc/33/08/94/1038330894.db2.gz LXQZQSSEJIOKKX-KZULUSFZSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023143 1038330907 /nfs/dbraw/zinc/33/09/07/1038330907.db2.gz LXQZQSSEJIOKKX-KZULUSFZSA-N 1 2 370.852 2.787 20 10 FFCDLO FC1(F)C[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3Cl)CCN2C1 ZINC001236919694 1038354655 /nfs/dbraw/zinc/35/46/55/1038354655.db2.gz PHDDXXFWVANWBR-INIZCTEOSA-N 1 2 371.859 2.702 20 10 FFCDLO FC1(F)C[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)CCN2C1 ZINC001236919694 1038354666 /nfs/dbraw/zinc/35/46/66/1038354666.db2.gz PHDDXXFWVANWBR-INIZCTEOSA-N 1 2 371.859 2.702 20 10 FFCDLO Cc1cc(C[N@@H+]2CCN[C@H](C(F)(F)F)C2)c(O)cc1Br ZINC001237001197 1038406318 /nfs/dbraw/zinc/40/63/18/1038406318.db2.gz UISGEGKEPXXRNC-LBPRGKRZSA-N 1 2 353.182 2.799 20 10 FFCDLO Cc1cc(C[N@H+]2CCN[C@H](C(F)(F)F)C2)c(O)cc1Br ZINC001237001197 1038406322 /nfs/dbraw/zinc/40/63/22/1038406322.db2.gz UISGEGKEPXXRNC-LBPRGKRZSA-N 1 2 353.182 2.799 20 10 FFCDLO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)cccc1Cl ZINC001278490447 1039849993 /nfs/dbraw/zinc/84/99/93/1039849993.db2.gz FVKORWAYEUQIJK-AOOOYVTPSA-N 1 2 363.767 2.576 20 10 FFCDLO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c(O)cccc1Cl ZINC001278490447 1039850024 /nfs/dbraw/zinc/85/00/24/1039850024.db2.gz FVKORWAYEUQIJK-AOOOYVTPSA-N 1 2 363.767 2.576 20 10 FFCDLO C[NH+]1CCC(c2ccc(NS(=O)(=O)c3cccc4nonc43)cc2)CC1 ZINC001260440240 1040593029 /nfs/dbraw/zinc/59/30/29/1040593029.db2.gz GCEHFHXSWIBGBW-UHFFFAOYSA-N 1 2 372.450 2.833 20 10 FFCDLO CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CF)c(O)c1 ZINC001249726207 1040965016 /nfs/dbraw/zinc/96/50/16/1040965016.db2.gz YOMVOCKAFIUTAX-GJZGRUSLSA-N 1 2 357.397 2.996 20 10 FFCDLO CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CF)c(O)c1 ZINC001249726207 1040965039 /nfs/dbraw/zinc/96/50/39/1040965039.db2.gz YOMVOCKAFIUTAX-GJZGRUSLSA-N 1 2 357.397 2.996 20 10 FFCDLO Cc1cc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)cc1Br ZINC001250133730 1041126894 /nfs/dbraw/zinc/12/68/94/1041126894.db2.gz REESMTUIRBIGKQ-LBPRGKRZSA-N 1 2 361.230 2.988 20 10 FFCDLO Cc1cc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)cc1Br ZINC001250133730 1041126903 /nfs/dbraw/zinc/12/69/03/1041126903.db2.gz REESMTUIRBIGKQ-LBPRGKRZSA-N 1 2 361.230 2.988 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1O ZINC001278554321 1041132084 /nfs/dbraw/zinc/13/20/84/1041132084.db2.gz PVNAZOCEJBUCIA-CALCHBBNSA-N 1 2 359.857 2.792 20 10 FFCDLO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1O ZINC001278558543 1041152460 /nfs/dbraw/zinc/15/24/60/1041152460.db2.gz JPNSACGXYCCTNQ-TXEJJXNPSA-N 1 2 363.767 2.576 20 10 FFCDLO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1O ZINC001278558543 1041152465 /nfs/dbraw/zinc/15/24/65/1041152465.db2.gz JPNSACGXYCCTNQ-TXEJJXNPSA-N 1 2 363.767 2.576 20 10 FFCDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccccc1O ZINC001263369428 1042266922 /nfs/dbraw/zinc/26/69/22/1042266922.db2.gz UZHJWCMGRRXKBN-QGZVFWFLSA-N 1 2 373.501 2.813 20 10 FFCDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccccc1O ZINC001263369428 1042266928 /nfs/dbraw/zinc/26/69/28/1042266928.db2.gz UZHJWCMGRRXKBN-QGZVFWFLSA-N 1 2 373.501 2.813 20 10 FFCDLO COCCN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001237619464 1043275054 /nfs/dbraw/zinc/27/50/54/1043275054.db2.gz QMGOFLBFCUPMAR-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO COCCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001237619464 1043275067 /nfs/dbraw/zinc/27/50/67/1043275067.db2.gz QMGOFLBFCUPMAR-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO COc1cc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c(OC)c1 ZINC001237676248 1043305705 /nfs/dbraw/zinc/30/57/05/1043305705.db2.gz MCGMZGWEUSKTNF-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(O)c(OC)c1 ZINC001237684746 1043310806 /nfs/dbraw/zinc/31/08/06/1043310806.db2.gz PVMXMRGQIXQGPA-MRXNPFEDSA-N 1 2 356.413 2.715 20 10 FFCDLO COCCN1CCC2(CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)C1=O ZINC001237799926 1043366174 /nfs/dbraw/zinc/36/61/74/1043366174.db2.gz KFELUTKLAYSMDQ-UHFFFAOYSA-N 1 2 370.852 2.646 20 10 FFCDLO Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)O3)c1O ZINC001238065461 1043510918 /nfs/dbraw/zinc/51/09/18/1043510918.db2.gz VFKHRUGYCAOZPZ-IYBDPMFKSA-N 1 2 366.433 2.660 20 10 FFCDLO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)O3)c1O ZINC001238065461 1043510932 /nfs/dbraw/zinc/51/09/32/1043510932.db2.gz VFKHRUGYCAOZPZ-IYBDPMFKSA-N 1 2 366.433 2.660 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2nc(C(F)(F)F)n[nH]2)c1 ZINC001308990029 1052533354 /nfs/dbraw/zinc/53/33/54/1052533354.db2.gz PYLHKBPXJBPRMT-UHFFFAOYSA-N 1 2 365.153 2.890 20 10 FFCDLO COc1cc([N+](=O)[O-])c(N2CCc3cc[nH+]c(N(C)C)c3C2)cc1OC ZINC001336818781 1054254962 /nfs/dbraw/zinc/25/49/62/1054254962.db2.gz MJLQFDOEYSQIFB-UHFFFAOYSA-N 1 2 358.398 2.636 20 10 FFCDLO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC001560481579 1076275810 /nfs/dbraw/zinc/27/58/10/1076275810.db2.gz NQKVBSHJRQLGDZ-JTQLQIEISA-N 1 2 361.255 2.936 20 10 FFCDLO C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc(-c2nn[nH]n2)c1O ZINC001589972485 1080913228 /nfs/dbraw/zinc/91/32/28/1080913228.db2.gz GORYQBKDPXRXPV-VIFPVBQESA-N 1 2 364.331 2.837 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000359995314 210204589 /nfs/dbraw/zinc/20/45/89/210204589.db2.gz CVVZSURYGSISHW-UONOGXRCSA-N 1 2 372.259 2.616 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000359995314 210204594 /nfs/dbraw/zinc/20/45/94/210204594.db2.gz CVVZSURYGSISHW-UONOGXRCSA-N 1 2 372.259 2.616 20 10 FFCDLO O=C(CCc1c[nH+]c[nH]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000369129464 512240624 /nfs/dbraw/zinc/24/06/24/512240624.db2.gz FCEQSXYZGSBMFV-UHFFFAOYSA-N 1 2 364.396 2.729 20 10 FFCDLO O=C(CCc1c[nH]c[nH+]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000369129464 512240628 /nfs/dbraw/zinc/24/06/28/512240628.db2.gz FCEQSXYZGSBMFV-UHFFFAOYSA-N 1 2 364.396 2.729 20 10 FFCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3nccs3)CC2)cc1 ZINC000053774315 506442704 /nfs/dbraw/zinc/44/27/04/506442704.db2.gz QMMHDKBDMMUUOV-CQSZACIVSA-N 1 2 360.483 2.691 20 10 FFCDLO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3nccs3)CC2)cc1 ZINC000053774315 506442713 /nfs/dbraw/zinc/44/27/13/506442713.db2.gz QMMHDKBDMMUUOV-CQSZACIVSA-N 1 2 360.483 2.691 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccnn3C(C)C)CC2)cc1 ZINC000039561367 506453911 /nfs/dbraw/zinc/45/39/11/506453911.db2.gz QPOSEDVTRJPBOU-MRXNPFEDSA-N 1 2 371.485 2.622 20 10 FFCDLO Oc1ccccc1C[N@@H+](Cc1nnnn1-c1ccccc1)C[C@H]1CCCO1 ZINC000070976839 507672633 /nfs/dbraw/zinc/67/26/33/507672633.db2.gz XXPJQZMNQRAVRZ-GOSISDBHSA-N 1 2 365.437 2.549 20 10 FFCDLO Oc1ccccc1C[N@H+](Cc1nnnn1-c1ccccc1)C[C@H]1CCCO1 ZINC000070976839 507672639 /nfs/dbraw/zinc/67/26/39/507672639.db2.gz XXPJQZMNQRAVRZ-GOSISDBHSA-N 1 2 365.437 2.549 20 10 FFCDLO COc1ccc(N2CCC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000077234940 508290817 /nfs/dbraw/zinc/29/08/17/508290817.db2.gz KWHOWUKNLSTQAH-IBGZPJMESA-N 1 2 357.429 2.573 20 10 FFCDLO COc1ccc(N2CCC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000077234940 508290821 /nfs/dbraw/zinc/29/08/21/508290821.db2.gz KWHOWUKNLSTQAH-IBGZPJMESA-N 1 2 357.429 2.573 20 10 FFCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152985896 508537397 /nfs/dbraw/zinc/53/73/97/508537397.db2.gz DZEREJRNKWVDMV-SFHVURJKSA-N 1 2 367.497 2.958 20 10 FFCDLO Cc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc[nH+]1 ZINC000119655323 508837392 /nfs/dbraw/zinc/83/73/92/508837392.db2.gz FTCVFVRAWCGHCH-UHFFFAOYSA-N 1 2 358.417 2.812 20 10 FFCDLO COc1ccc(N2CCCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000193520205 509948001 /nfs/dbraw/zinc/94/80/01/509948001.db2.gz MRGUOPDMJBFSBD-UHFFFAOYSA-N 1 2 364.449 2.624 20 10 FFCDLO O=C(c1ccc2[nH+]ccn2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000172229770 510610894 /nfs/dbraw/zinc/61/08/94/510610894.db2.gz CZZMLJJTINIDIQ-QGZVFWFLSA-N 1 2 351.406 2.861 20 10 FFCDLO CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000184995339 510622987 /nfs/dbraw/zinc/62/29/87/510622987.db2.gz VRNOQSKAECJGEG-JTQLQIEISA-N 1 2 360.285 2.560 20 10 FFCDLO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)CC2 ZINC000185317849 510802797 /nfs/dbraw/zinc/80/27/97/510802797.db2.gz CESANXCONMCAOL-KCJUWKMLSA-N 1 2 369.238 2.859 20 10 FFCDLO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273415774 511524788 /nfs/dbraw/zinc/52/47/88/511524788.db2.gz QVDFJDUISHPWDE-PIGZYNQJSA-N 1 2 362.382 2.702 20 10 FFCDLO Cc1cccc([C@H](CNC(=O)NCc2ccccc2O)[NH+]2CCOCC2)c1 ZINC000299546731 511663088 /nfs/dbraw/zinc/66/30/88/511663088.db2.gz WQSDIEGRHQAILB-IBGZPJMESA-N 1 2 369.465 2.573 20 10 FFCDLO COc1ccc([NH+]2CCC(Nc3ncccc3S(C)(=O)=O)CC2)cc1 ZINC000302460110 511709235 /nfs/dbraw/zinc/70/92/35/511709235.db2.gz RDWCQLCIUOBCDX-UHFFFAOYSA-N 1 2 361.467 2.575 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000292899510 511763624 /nfs/dbraw/zinc/76/36/24/511763624.db2.gz ZSTXFFRBDMSBMQ-GFCCVEGCSA-N 1 2 364.433 2.638 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000292899510 511763629 /nfs/dbraw/zinc/76/36/29/511763629.db2.gz ZSTXFFRBDMSBMQ-GFCCVEGCSA-N 1 2 364.433 2.638 20 10 FFCDLO CC[N@H+](Cc1ncnn1CCF)Cc1cc(Br)ccc1O ZINC000281411258 511837145 /nfs/dbraw/zinc/83/71/45/511837145.db2.gz GXJRYLAPDARREI-UHFFFAOYSA-N 1 2 357.227 2.738 20 10 FFCDLO CC[N@@H+](Cc1ncnn1CCF)Cc1cc(Br)ccc1O ZINC000281411258 511837148 /nfs/dbraw/zinc/83/71/48/511837148.db2.gz GXJRYLAPDARREI-UHFFFAOYSA-N 1 2 357.227 2.738 20 10 FFCDLO CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1O ZINC000376883857 513031127 /nfs/dbraw/zinc/03/11/27/513031127.db2.gz DLRRXQFJVRKTFW-HOTGVXAUSA-N 1 2 352.862 2.866 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CCO1 ZINC000530106804 517570141 /nfs/dbraw/zinc/57/01/41/517570141.db2.gz OJLRGNRDGTVGFL-INIZCTEOSA-N 1 2 371.433 2.566 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CCO1 ZINC000530106804 517570150 /nfs/dbraw/zinc/57/01/50/517570150.db2.gz OJLRGNRDGTVGFL-INIZCTEOSA-N 1 2 371.433 2.566 20 10 FFCDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000122368744 728646629 /nfs/dbraw/zinc/64/66/29/728646629.db2.gz PAFZGLAMPFHSNW-HNNXBMFYSA-N 1 2 353.484 2.547 20 10 FFCDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000122368744 728646630 /nfs/dbraw/zinc/64/66/30/728646630.db2.gz PAFZGLAMPFHSNW-HNNXBMFYSA-N 1 2 353.484 2.547 20 10 FFCDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)s1 ZINC000182482213 729279618 /nfs/dbraw/zinc/27/96/18/729279618.db2.gz KCWOIPRQUZURFZ-UHFFFAOYSA-N 1 2 360.479 2.988 20 10 FFCDLO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)c(F)cc1O ZINC000756586470 736345519 /nfs/dbraw/zinc/34/55/19/736345519.db2.gz SIGVUKYRNAZIPN-SECBINFHSA-N 1 2 359.239 2.990 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)cc(Cl)c1O ZINC000927136758 738695495 /nfs/dbraw/zinc/69/54/95/738695495.db2.gz SBLTUNHGZHJHGL-ISVAXAHUSA-N 1 2 374.666 2.926 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000883016506 733321113 /nfs/dbraw/zinc/32/11/13/733321113.db2.gz BMTOXMOKTWDROD-NSHDSACASA-N 1 2 362.239 2.827 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000883016505 733321198 /nfs/dbraw/zinc/32/11/98/733321198.db2.gz BMTOXMOKTWDROD-LLVKDONJSA-N 1 2 362.239 2.827 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729286393 734569496 /nfs/dbraw/zinc/56/94/96/734569496.db2.gz PBRMCKCNWZZGMH-CVEARBPZSA-N 1 2 361.511 2.995 20 10 FFCDLO CN(C)c1cc(F)c(C[NH2+]Cc2cnc(Br)cn2)cc1F ZINC000895406982 735001293 /nfs/dbraw/zinc/00/12/93/735001293.db2.gz JKPVTUOBBBZHBA-UHFFFAOYSA-N 1 2 357.202 2.873 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)CC1CCCC1 ZINC000789348139 739340590 /nfs/dbraw/zinc/34/05/90/739340590.db2.gz LJONLXLBYSNWMY-INIZCTEOSA-N 1 2 355.862 2.962 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ncc(Br)cn2)c1 ZINC000903320313 736074861 /nfs/dbraw/zinc/07/48/61/736074861.db2.gz FEEQDJABSDYKQV-VIFPVBQESA-N 1 2 366.215 2.582 20 10 FFCDLO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756446515 736331921 /nfs/dbraw/zinc/33/19/21/736331921.db2.gz RIUXUHNIQHMULL-NSHDSACASA-N 1 2 370.421 2.570 20 10 FFCDLO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)cc(F)c1O ZINC000756563235 736343694 /nfs/dbraw/zinc/34/36/94/736343694.db2.gz MKYCPEDGMGJEJP-GHMZBOCLSA-N 1 2 362.239 2.998 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000812776083 741650951 /nfs/dbraw/zinc/65/09/51/741650951.db2.gz RIXKDFSMBUVJQB-LLVKDONJSA-N 1 2 350.203 2.913 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000812776083 741650946 /nfs/dbraw/zinc/65/09/46/741650946.db2.gz RIXKDFSMBUVJQB-LLVKDONJSA-N 1 2 350.203 2.913 20 10 FFCDLO C[C@H](NC1C[NH2+]C1)c1cc(Br)cc(Br)c1O ZINC000817955429 742224304 /nfs/dbraw/zinc/22/43/04/742224304.db2.gz AOJGRSCZSKIUQB-LURJTMIESA-N 1 2 350.054 2.540 20 10 FFCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824564026 743106001 /nfs/dbraw/zinc/10/60/01/743106001.db2.gz FYQRNXLTBDUYET-GFCCVEGCSA-N 1 2 362.829 2.502 20 10 FFCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824564026 743106010 /nfs/dbraw/zinc/10/60/10/743106010.db2.gz FYQRNXLTBDUYET-GFCCVEGCSA-N 1 2 362.829 2.502 20 10 FFCDLO O=C(N1C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1)C(F)(F)F ZINC000824829752 743158706 /nfs/dbraw/zinc/15/87/06/743158706.db2.gz QYBZNGHIDHHIIL-CMPLNLGQSA-N 1 2 362.779 2.888 20 10 FFCDLO O=C(N1C[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1)C(F)(F)F ZINC000824829752 743158711 /nfs/dbraw/zinc/15/87/11/743158711.db2.gz QYBZNGHIDHHIIL-CMPLNLGQSA-N 1 2 362.779 2.888 20 10 FFCDLO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000826796884 743443915 /nfs/dbraw/zinc/44/39/15/743443915.db2.gz OVRJJEVQFPBRCK-MRXNPFEDSA-N 1 2 365.857 2.764 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nn(C)cc2Br)c1 ZINC000834884869 745918727 /nfs/dbraw/zinc/91/87/27/745918727.db2.gz PZXDUOTWIFRJOP-VIFPVBQESA-N 1 2 368.231 2.526 20 10 FFCDLO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)cc(F)c1O ZINC000846212165 748431750 /nfs/dbraw/zinc/43/17/50/748431750.db2.gz LAFZUYZTXUQCFW-MEBBXXQBSA-N 1 2 362.239 2.876 20 10 FFCDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)[nH]n1 ZINC000895710236 970871883 /nfs/dbraw/zinc/87/18/83/970871883.db2.gz IPANTIXSISKOLC-IBGZPJMESA-N 1 2 353.470 2.707 20 10 FFCDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)[nH]n1 ZINC000895710236 970871897 /nfs/dbraw/zinc/87/18/97/970871897.db2.gz IPANTIXSISKOLC-IBGZPJMESA-N 1 2 353.470 2.707 20 10 FFCDLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1O ZINC000826158810 947499640 /nfs/dbraw/zinc/49/96/40/947499640.db2.gz DMDRHTNACDJDNE-UHFFFAOYSA-N 1 2 373.844 2.874 20 10 FFCDLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1O ZINC000826158810 947499646 /nfs/dbraw/zinc/49/96/46/947499646.db2.gz DMDRHTNACDJDNE-UHFFFAOYSA-N 1 2 373.844 2.874 20 10 FFCDLO COc1ccc(Br)c(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1O ZINC001206237824 1013360450 /nfs/dbraw/zinc/36/04/50/1013360450.db2.gz MJAPKDUCOQPPBR-GFCCVEGCSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1ccc(Br)c(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)c1O ZINC001206237824 1013360458 /nfs/dbraw/zinc/36/04/58/1013360458.db2.gz MJAPKDUCOQPPBR-GFCCVEGCSA-N 1 2 369.181 2.629 20 10 FFCDLO CN(C)c1ccc(CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C2CC2)cc1 ZINC000728401078 965261529 /nfs/dbraw/zinc/26/15/29/965261529.db2.gz UVIHYFQDEWYSBF-UHFFFAOYSA-N 1 2 374.529 2.537 20 10 FFCDLO CN(C)c1ccc(CN(C(=O)NCC[N@H+]2CCOCC2(C)C)C2CC2)cc1 ZINC000728401078 965261544 /nfs/dbraw/zinc/26/15/44/965261544.db2.gz UVIHYFQDEWYSBF-UHFFFAOYSA-N 1 2 374.529 2.537 20 10 FFCDLO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(O)[nH]c(=O)c1)C2 ZINC001271799909 974343824 /nfs/dbraw/zinc/34/38/24/974343824.db2.gz YZJFHAOUDAUPGI-UXLLHSPISA-N 1 2 361.486 2.856 20 10 FFCDLO CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(O)[nH]c(=O)c1)C2 ZINC001271799909 974343832 /nfs/dbraw/zinc/34/38/32/974343832.db2.gz YZJFHAOUDAUPGI-UXLLHSPISA-N 1 2 361.486 2.856 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccnn3CC3CC3)CC2)c(OC)c1 ZINC000877708348 1014693521 /nfs/dbraw/zinc/69/35/21/1014693521.db2.gz JDHGGILCMZNMAX-UHFFFAOYSA-N 1 2 356.470 2.633 20 10 FFCDLO COc1ccc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)CCO2)cc1 ZINC000877757002 1014714430 /nfs/dbraw/zinc/71/44/30/1014714430.db2.gz FUVPIWSOLPZIPS-KRWDZBQOSA-N 1 2 374.393 2.891 20 10 FFCDLO COc1ccc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)CCO2)cc1 ZINC000877757002 1014714441 /nfs/dbraw/zinc/71/44/41/1014714441.db2.gz FUVPIWSOLPZIPS-KRWDZBQOSA-N 1 2 374.393 2.891 20 10 FFCDLO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000841869738 982266608 /nfs/dbraw/zinc/26/66/08/982266608.db2.gz PTSSVJUZROFIPM-OALUTQOASA-N 1 2 374.435 2.834 20 10 FFCDLO C[N@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000841869738 982266618 /nfs/dbraw/zinc/26/66/18/982266618.db2.gz PTSSVJUZROFIPM-OALUTQOASA-N 1 2 374.435 2.834 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000912583898 984069242 /nfs/dbraw/zinc/06/92/42/984069242.db2.gz DPADROFTFNMTIW-IBGZPJMESA-N 1 2 362.433 2.907 20 10 FFCDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000809772846 994598175 /nfs/dbraw/zinc/59/81/75/994598175.db2.gz AZQGZFIWPHKWTC-GOSISDBHSA-N 1 2 371.433 2.735 20 10 FFCDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000809772846 994598187 /nfs/dbraw/zinc/59/81/87/994598187.db2.gz AZQGZFIWPHKWTC-GOSISDBHSA-N 1 2 371.433 2.735 20 10 FFCDLO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3n[nH]c4ccccc43)cc2)C1 ZINC000727467006 995831395 /nfs/dbraw/zinc/83/13/95/995831395.db2.gz NZFIRAQTGBHZSI-MRXNPFEDSA-N 1 2 363.465 2.554 20 10 FFCDLO O=C1CCC[C@@]2(CCC[N@@H+](Cc3cc(Br)c(F)cc3O)C2)N1 ZINC001144301720 998296942 /nfs/dbraw/zinc/29/69/42/998296942.db2.gz TWBHQGHFJJIYKC-INIZCTEOSA-N 1 2 371.250 2.929 20 10 FFCDLO O=C1CCC[C@@]2(CCC[N@H+](Cc3cc(Br)c(F)cc3O)C2)N1 ZINC001144301720 998296950 /nfs/dbraw/zinc/29/69/50/998296950.db2.gz TWBHQGHFJJIYKC-INIZCTEOSA-N 1 2 371.250 2.929 20 10 FFCDLO O=C1CCCN1C1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144308206 998304097 /nfs/dbraw/zinc/30/40/97/998304097.db2.gz SKAQPHHARDBWEW-UHFFFAOYSA-N 1 2 371.250 2.881 20 10 FFCDLO Cc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc(C2CC2)[nH+]1 ZINC000734835366 999346279 /nfs/dbraw/zinc/34/62/79/999346279.db2.gz UJRGXMCJWLWYOQ-QGZVFWFLSA-N 1 2 365.481 2.976 20 10 FFCDLO COc1c(O)c(C[N@@H+](CC(=O)OC(C)(C)C)CC2CC2)ccc1[N+](=O)[O-] ZINC000846053830 1000198166 /nfs/dbraw/zinc/19/81/66/1000198166.db2.gz WRTNCKAWACVMDX-UHFFFAOYSA-N 1 2 366.414 2.863 20 10 FFCDLO COc1c(O)c(C[N@H+](CC(=O)OC(C)(C)C)CC2CC2)ccc1[N+](=O)[O-] ZINC000846053830 1000198167 /nfs/dbraw/zinc/19/81/67/1000198167.db2.gz WRTNCKAWACVMDX-UHFFFAOYSA-N 1 2 366.414 2.863 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000768537174 1000288774 /nfs/dbraw/zinc/28/87/74/1000288774.db2.gz PBBNDMNVUUPCGN-UHFFFAOYSA-N 1 2 352.482 2.886 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276192775 1016505636 /nfs/dbraw/zinc/50/56/36/1016505636.db2.gz SCWDUUQTSILJAY-ORAYPTAESA-N 1 2 368.424 2.520 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276192775 1016505648 /nfs/dbraw/zinc/50/56/48/1016505648.db2.gz SCWDUUQTSILJAY-ORAYPTAESA-N 1 2 368.424 2.520 20 10 FFCDLO O=C(C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787996606 1001741685 /nfs/dbraw/zinc/74/16/85/1001741685.db2.gz MHTFAVZLKJBQTR-KXBFYZLASA-N 1 2 368.437 2.716 20 10 FFCDLO O=C(C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787996606 1001741691 /nfs/dbraw/zinc/74/16/91/1001741691.db2.gz MHTFAVZLKJBQTR-KXBFYZLASA-N 1 2 368.437 2.716 20 10 FFCDLO COc1ccc(O)c([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000103508618 1003065528 /nfs/dbraw/zinc/06/55/28/1003065528.db2.gz ZTUGXBNMLPZBDI-AWEZNQCLSA-N 1 2 370.453 2.956 20 10 FFCDLO CCOc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000776017565 1005010401 /nfs/dbraw/zinc/01/04/01/1005010401.db2.gz OMUQQUXARBMLLI-MRXNPFEDSA-N 1 2 366.458 2.516 20 10 FFCDLO CCOc1ccc(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000776017565 1005010404 /nfs/dbraw/zinc/01/04/04/1005010404.db2.gz OMUQQUXARBMLLI-MRXNPFEDSA-N 1 2 366.458 2.516 20 10 FFCDLO COC(=O)N1CCN(c2ccc(N[C@@H](C)c3ccc(F)cc3O)c[nH+]2)CC1 ZINC000815654919 1006727079 /nfs/dbraw/zinc/72/70/79/1006727079.db2.gz CSLCWRQXASIHTG-ZDUSSCGKSA-N 1 2 374.416 2.988 20 10 FFCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000821201987 1008424371 /nfs/dbraw/zinc/42/43/71/1008424371.db2.gz PVWDPUCPRSHGMB-UHFFFAOYSA-N 1 2 365.437 2.617 20 10 FFCDLO CCOC(=O)C[N@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000823581044 1009118230 /nfs/dbraw/zinc/11/82/30/1009118230.db2.gz DMXHYNFBVAUFQK-UHFFFAOYSA-N 1 2 356.422 2.786 20 10 FFCDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000823581044 1009118236 /nfs/dbraw/zinc/11/82/36/1009118236.db2.gz DMXHYNFBVAUFQK-UHFFFAOYSA-N 1 2 356.422 2.786 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000823582112 1009118589 /nfs/dbraw/zinc/11/85/89/1009118589.db2.gz YFNLZICEULMPCU-GOSISDBHSA-N 1 2 365.376 2.769 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000823582112 1009118594 /nfs/dbraw/zinc/11/85/94/1009118594.db2.gz YFNLZICEULMPCU-GOSISDBHSA-N 1 2 365.376 2.769 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCc1c[nH+]cn1C ZINC000860728371 1009127734 /nfs/dbraw/zinc/12/77/34/1009127734.db2.gz QHZUYJYDYOIUNM-UHFFFAOYSA-N 1 2 350.422 2.613 20 10 FFCDLO COc1cc(N2CCN(C(=O)/C=C/c3ccc(N(C)C)cc3)CC2)cc[nH+]1 ZINC001180126158 1009571815 /nfs/dbraw/zinc/57/18/15/1009571815.db2.gz HFEMBWONCZDPAG-RMKNXTFCSA-N 1 2 366.465 2.518 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)ccc1C ZINC000861891835 1009607408 /nfs/dbraw/zinc/60/74/08/1009607408.db2.gz LSQBNZTWGQVIMM-SFHVURJKSA-N 1 2 362.433 2.766 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC000794617055 1010441829 /nfs/dbraw/zinc/44/18/29/1010441829.db2.gz RVWNBXHNEFQIMT-UHFFFAOYSA-N 1 2 356.382 2.658 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC000794617055 1010441835 /nfs/dbraw/zinc/44/18/35/1010441835.db2.gz RVWNBXHNEFQIMT-UHFFFAOYSA-N 1 2 356.382 2.658 20 10 FFCDLO Cc1ccnc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1 ZINC001217056605 1032598547 /nfs/dbraw/zinc/59/85/47/1032598547.db2.gz LTZMTPWMZQNSCN-UHFFFAOYSA-N 1 2 352.394 2.645 20 10 FFCDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001275229128 1012109533 /nfs/dbraw/zinc/10/95/33/1012109533.db2.gz IRJKVFZTTNELSW-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(F)cc1F ZINC001275229128 1012109542 /nfs/dbraw/zinc/10/95/42/1012109542.db2.gz IRJKVFZTTNELSW-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000924760231 1017466783 /nfs/dbraw/zinc/46/67/83/1017466783.db2.gz PCBORVLKELMGRE-ZDUSSCGKSA-N 1 2 361.465 2.557 20 10 FFCDLO CC(C)n1cc([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)nn1 ZINC000926558573 1018156684 /nfs/dbraw/zinc/15/66/84/1018156684.db2.gz GRSHPRYDEMWJFR-ZDUSSCGKSA-N 1 2 365.428 2.825 20 10 FFCDLO C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000930744635 1020158988 /nfs/dbraw/zinc/15/89/88/1020158988.db2.gz MGBJSBOKANYVJQ-AWEZNQCLSA-N 1 2 350.422 2.891 20 10 FFCDLO COc1ccc2c(c1O[C@H]1CC[NH2+]CC1(F)F)C(=O)c1ccccc1C2=O ZINC001218010645 1032949425 /nfs/dbraw/zinc/94/94/25/1032949425.db2.gz QIRSAQVYOHIJGI-HNNXBMFYSA-N 1 2 373.355 2.847 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@H](C)CC(C)C)CC2)cc1F ZINC000753856546 1023390012 /nfs/dbraw/zinc/39/00/12/1023390012.db2.gz GQKCWZUESPDELJ-MRXNPFEDSA-N 1 2 365.493 2.849 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000080091534 1024476991 /nfs/dbraw/zinc/47/69/91/1024476991.db2.gz GUHLHBRDKZAYIC-UHFFFAOYSA-N 1 2 367.497 2.960 20 10 FFCDLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000193382271 1024497563 /nfs/dbraw/zinc/49/75/63/1024497563.db2.gz WIKNIMHDZARDPC-AWEZNQCLSA-N 1 2 364.396 2.729 20 10 FFCDLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000193382271 1024497569 /nfs/dbraw/zinc/49/75/69/1024497569.db2.gz WIKNIMHDZARDPC-AWEZNQCLSA-N 1 2 364.396 2.729 20 10 FFCDLO COCC[NH+]1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141368802 1026048378 /nfs/dbraw/zinc/04/83/78/1026048378.db2.gz CFJCTEWIAQMSCG-UHFFFAOYSA-N 1 2 363.683 2.572 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)nn3)CC2)cc1 ZINC001141486377 1026415813 /nfs/dbraw/zinc/41/58/13/1026415813.db2.gz MSMJPAPHZCQELV-UHFFFAOYSA-N 1 2 352.360 2.826 20 10 FFCDLO CO[C@@H](C)C[N@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000796642227 1026421347 /nfs/dbraw/zinc/42/13/47/1026421347.db2.gz NZBVUBRWAOPKFW-AWEZNQCLSA-N 1 2 358.438 2.972 20 10 FFCDLO CO[C@@H](C)C[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000796642227 1026421355 /nfs/dbraw/zinc/42/13/55/1026421355.db2.gz NZBVUBRWAOPKFW-AWEZNQCLSA-N 1 2 358.438 2.972 20 10 FFCDLO O=C(C[N@H+]1CCC[C@](O)(CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839148245 1026605617 /nfs/dbraw/zinc/60/56/17/1026605617.db2.gz HOYFEXZVABSWRD-HXUWFJFHSA-N 1 2 368.437 2.860 20 10 FFCDLO O=C(C[N@@H+]1CCC[C@](O)(CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839148245 1026605623 /nfs/dbraw/zinc/60/56/23/1026605623.db2.gz HOYFEXZVABSWRD-HXUWFJFHSA-N 1 2 368.437 2.860 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@](O)(CO)C2)c(C)n1-c1ccc(C)c(F)c1 ZINC000839150028 1026605959 /nfs/dbraw/zinc/60/59/59/1026605959.db2.gz ZSXUQNXRZPKXMO-NRFANRHFSA-N 1 2 374.456 2.544 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@](O)(CO)C2)c(C)n1-c1ccc(C)c(F)c1 ZINC000839150028 1026605963 /nfs/dbraw/zinc/60/59/63/1026605963.db2.gz ZSXUQNXRZPKXMO-NRFANRHFSA-N 1 2 374.456 2.544 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000839668300 1026784656 /nfs/dbraw/zinc/78/46/56/1026784656.db2.gz YDDOMAAAXDGSHB-WIYYLYMNSA-N 1 2 370.493 2.569 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000839668300 1026784666 /nfs/dbraw/zinc/78/46/66/1026784666.db2.gz YDDOMAAAXDGSHB-WIYYLYMNSA-N 1 2 370.493 2.569 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840264725 1027026119 /nfs/dbraw/zinc/02/61/19/1027026119.db2.gz YAICWAMWIIGAIX-RDJZCZTQSA-N 1 2 355.486 2.670 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840264725 1027026127 /nfs/dbraw/zinc/02/61/27/1027026127.db2.gz YAICWAMWIIGAIX-RDJZCZTQSA-N 1 2 355.486 2.670 20 10 FFCDLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(N(C)C)cc3)[nH+]cn2)C1 ZINC000840288890 1027035914 /nfs/dbraw/zinc/03/59/14/1027035914.db2.gz PCZDTEBXFLYWMI-UXLLHSPISA-N 1 2 355.486 2.923 20 10 FFCDLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(N(C)C)cc3)nc[nH+]2)C1 ZINC000840288890 1027035923 /nfs/dbraw/zinc/03/59/23/1027035923.db2.gz PCZDTEBXFLYWMI-UXLLHSPISA-N 1 2 355.486 2.923 20 10 FFCDLO CCOc1ccc(O)c(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c1 ZINC000780590085 1028742268 /nfs/dbraw/zinc/74/22/68/1028742268.db2.gz QJUYXDOTODTZOU-UHFFFAOYSA-N 1 2 356.401 2.860 20 10 FFCDLO COC(=O)c1ccc2cc[nH+]c(NCCc3cc(O)c(O)cc3O)c2c1 ZINC001157245437 1029520035 /nfs/dbraw/zinc/52/00/35/1029520035.db2.gz AMHWAYICTZWTJI-UHFFFAOYSA-N 1 2 354.362 2.793 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CC2(CO)CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000782594835 1029757782 /nfs/dbraw/zinc/75/77/82/1029757782.db2.gz AJSRTTBFFYMHSQ-UHFFFAOYSA-N 1 2 370.449 2.710 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CC2(CO)CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000782594835 1029757790 /nfs/dbraw/zinc/75/77/90/1029757790.db2.gz AJSRTTBFFYMHSQ-UHFFFAOYSA-N 1 2 370.449 2.710 20 10 FFCDLO CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c1O ZINC001203614375 1030786392 /nfs/dbraw/zinc/78/63/92/1030786392.db2.gz ZUDAURPRPYOKBI-UONOGXRCSA-N 1 2 354.422 2.838 20 10 FFCDLO CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c1O ZINC001203614375 1030786405 /nfs/dbraw/zinc/78/64/05/1030786405.db2.gz ZUDAURPRPYOKBI-UONOGXRCSA-N 1 2 354.422 2.838 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC3CC3)nc21 ZINC001203877930 1030952754 /nfs/dbraw/zinc/95/27/54/1030952754.db2.gz LKKLXVAKFNKZOQ-QGZVFWFLSA-N 1 2 357.454 2.840 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC3CC3)nc21 ZINC001203877930 1030952760 /nfs/dbraw/zinc/95/27/60/1030952760.db2.gz LKKLXVAKFNKZOQ-QGZVFWFLSA-N 1 2 357.454 2.840 20 10 FFCDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1ccc(N(C)C)cc1)C2 ZINC001203933219 1030993598 /nfs/dbraw/zinc/99/35/98/1030993598.db2.gz JGFPVRMEIGERQZ-UHFFFAOYSA-N 1 2 356.518 2.590 20 10 FFCDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1ccc(N(C)C)cc1)C2 ZINC001203933219 1030993616 /nfs/dbraw/zinc/99/36/16/1030993616.db2.gz JGFPVRMEIGERQZ-UHFFFAOYSA-N 1 2 356.518 2.590 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)Cc2nnn(C)c21 ZINC001204322348 1031230510 /nfs/dbraw/zinc/23/05/10/1031230510.db2.gz JZEDBHRHFZWFLG-KRWDZBQOSA-N 1 2 355.486 2.551 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)Cc2nnn(C)c21 ZINC001204322348 1031230521 /nfs/dbraw/zinc/23/05/21/1031230521.db2.gz JZEDBHRHFZWFLG-KRWDZBQOSA-N 1 2 355.486 2.551 20 10 FFCDLO CC(C)C[C@H]([NH3+])CC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218920158 1033409911 /nfs/dbraw/zinc/40/99/11/1033409911.db2.gz RSEQEBBSPYOHRU-LBPRGKRZSA-N 1 2 366.417 2.870 20 10 FFCDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(Cl)cc2O)C1=O ZINC001276967101 1033862274 /nfs/dbraw/zinc/86/22/74/1033862274.db2.gz CTWWYUZDYCBBNH-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(Cl)cc2O)C1=O ZINC001276967101 1033862282 /nfs/dbraw/zinc/86/22/82/1033862282.db2.gz CTWWYUZDYCBBNH-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO CCCCN1C[C@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968154 1033866856 /nfs/dbraw/zinc/86/68/56/1033866856.db2.gz YJMPZMLBJSMQGC-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(OC)n3)CC2)c(C)c1 ZINC001139109516 1034944640 /nfs/dbraw/zinc/94/46/40/1034944640.db2.gz PKEYMLLWIRESCE-UHFFFAOYSA-N 1 2 357.454 2.738 20 10 FFCDLO CCOC(=O)[C@H]1CCCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132275 1034961075 /nfs/dbraw/zinc/96/10/75/1034961075.db2.gz VEHMHHVFAMWZTJ-AWEZNQCLSA-N 1 2 359.422 2.972 20 10 FFCDLO CCOC(=O)[C@H]1CCCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132275 1034961085 /nfs/dbraw/zinc/96/10/85/1034961085.db2.gz VEHMHHVFAMWZTJ-AWEZNQCLSA-N 1 2 359.422 2.972 20 10 FFCDLO Cc1ccc(C)c(C[N@@H+]2CCn3cc(CNC(=O)C4CCC4)nc3C2)c1O ZINC001140182010 1035370546 /nfs/dbraw/zinc/37/05/46/1035370546.db2.gz ZWCQARAHKYRNFN-UHFFFAOYSA-N 1 2 368.481 2.638 20 10 FFCDLO Cc1ccc(C)c(C[N@H+]2CCn3cc(CNC(=O)C4CCC4)nc3C2)c1O ZINC001140182010 1035370550 /nfs/dbraw/zinc/37/05/50/1035370550.db2.gz ZWCQARAHKYRNFN-UHFFFAOYSA-N 1 2 368.481 2.638 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(F)C[N@H+](Cc3c(C)cc(C)cc3O)C[C@@]2(F)C1=O ZINC001277204741 1035529736 /nfs/dbraw/zinc/52/97/36/1035529736.db2.gz VTJNHUFXSNYELC-ZOCIIQOWSA-N 1 2 352.425 2.882 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(F)C[N@@H+](Cc3c(C)cc(C)cc3O)C[C@@]2(F)C1=O ZINC001277204741 1035529740 /nfs/dbraw/zinc/52/97/40/1035529740.db2.gz VTJNHUFXSNYELC-ZOCIIQOWSA-N 1 2 352.425 2.882 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(c3nccnc3Cl)CC2)cc1Cl ZINC001232266255 1035538238 /nfs/dbraw/zinc/53/82/38/1035538238.db2.gz LIQCFKHYFYDONK-UHFFFAOYSA-N 1 2 369.252 2.820 20 10 FFCDLO O=C(c1ccccc1)N1C[C@@H]2C[NH+](Cc3c(O)cc(F)cc3F)C[C@H]2C1 ZINC001140581407 1035662467 /nfs/dbraw/zinc/66/24/67/1035662467.db2.gz RQSNKVKNJFAAKA-GJZGRUSLSA-N 1 2 358.388 2.874 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3CCO[C@@H]4C[C@@H]43)c2)nc1C ZINC001232453376 1035696529 /nfs/dbraw/zinc/69/65/29/1035696529.db2.gz ADRJLYLFBFUZSZ-GOEBONIOSA-N 1 2 374.462 2.974 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3CCO[C@@H]4C[C@@H]43)c2)nc1C ZINC001232453376 1035696535 /nfs/dbraw/zinc/69/65/35/1035696535.db2.gz ADRJLYLFBFUZSZ-GOEBONIOSA-N 1 2 374.462 2.974 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(CC3CC3)c21 ZINC001140744409 1036034073 /nfs/dbraw/zinc/03/40/73/1036034073.db2.gz WPJXVJBPNQLQEW-INIZCTEOSA-N 1 2 372.469 2.544 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(CC3CC3)c21 ZINC001140744409 1036034093 /nfs/dbraw/zinc/03/40/93/1036034093.db2.gz WPJXVJBPNQLQEW-INIZCTEOSA-N 1 2 372.469 2.544 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(O)cc(Br)cc3F)CC[C@H]21 ZINC001233033944 1036275382 /nfs/dbraw/zinc/27/53/82/1036275382.db2.gz YWDAKUXNRVSMOU-QMTHXVAHSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3c(O)cc(Br)cc3F)CC[C@H]21 ZINC001233033944 1036275399 /nfs/dbraw/zinc/27/53/99/1036275399.db2.gz YWDAKUXNRVSMOU-QMTHXVAHSA-N 1 2 371.250 2.737 20 10 FFCDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277387104 1036670677 /nfs/dbraw/zinc/67/06/77/1036670677.db2.gz FSGCXRABBORBTD-UHNFBRDESA-N 1 2 368.836 2.728 20 10 FFCDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277387104 1036670691 /nfs/dbraw/zinc/67/06/91/1036670691.db2.gz FSGCXRABBORBTD-UHNFBRDESA-N 1 2 368.836 2.728 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388229 1036680656 /nfs/dbraw/zinc/68/06/56/1036680656.db2.gz ULTQGTNHKSZFAJ-BBATYDOGSA-N 1 2 368.836 2.587 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388229 1036680663 /nfs/dbraw/zinc/68/06/63/1036680663.db2.gz ULTQGTNHKSZFAJ-BBATYDOGSA-N 1 2 368.836 2.587 20 10 FFCDLO COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c(O)c1Cl ZINC001277834703 1036937134 /nfs/dbraw/zinc/93/71/34/1036937134.db2.gz TVMAEDVSOJDMJJ-GOSISDBHSA-N 1 2 352.862 2.889 20 10 FFCDLO COc1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c(O)c1Cl ZINC001277834703 1036937148 /nfs/dbraw/zinc/93/71/48/1036937148.db2.gz TVMAEDVSOJDMJJ-GOSISDBHSA-N 1 2 352.862 2.889 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001235303269 1037464842 /nfs/dbraw/zinc/46/48/42/1037464842.db2.gz MRURZHBSSSJVNU-LBPRGKRZSA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001235303269 1037464849 /nfs/dbraw/zinc/46/48/49/1037464849.db2.gz MRURZHBSSSJVNU-LBPRGKRZSA-N 1 2 355.211 2.722 20 10 FFCDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277511062 1037555551 /nfs/dbraw/zinc/55/55/51/1037555551.db2.gz VALBYFBWKPBHAS-HZPDHXFCSA-N 1 2 370.852 2.787 20 10 FFCDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277511062 1037555565 /nfs/dbraw/zinc/55/55/65/1037555565.db2.gz VALBYFBWKPBHAS-HZPDHXFCSA-N 1 2 370.852 2.787 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001255506801 1037980916 /nfs/dbraw/zinc/98/09/16/1037980916.db2.gz MCWOYCCWSLHAFK-BPCQOVAHSA-N 1 2 361.360 2.893 20 10 FFCDLO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cccc(Cl)c2O)N1Cc1cccnc1 ZINC001231910308 1038003446 /nfs/dbraw/zinc/00/34/46/1038003446.db2.gz MYECGPOMCAPPJG-DLBZAZTESA-N 1 2 357.841 2.816 20 10 FFCDLO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cccc(Cl)c2O)N1Cc1cccnc1 ZINC001231910308 1038003479 /nfs/dbraw/zinc/00/34/79/1038003479.db2.gz MYECGPOMCAPPJG-DLBZAZTESA-N 1 2 357.841 2.816 20 10 FFCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc(Cl)c1O ZINC001231914870 1038011011 /nfs/dbraw/zinc/01/10/11/1038011011.db2.gz UAVRSTUQFIVAAF-SFHVURJKSA-N 1 2 374.868 2.905 20 10 FFCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc(Cl)c1O ZINC001231914870 1038011025 /nfs/dbraw/zinc/01/10/25/1038011025.db2.gz UAVRSTUQFIVAAF-SFHVURJKSA-N 1 2 374.868 2.905 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)CCS1 ZINC001237115512 1038447866 /nfs/dbraw/zinc/44/78/66/1038447866.db2.gz UPBRETXSXSESFI-ZDUSSCGKSA-N 1 2 365.373 2.771 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCS1 ZINC001237115512 1038447871 /nfs/dbraw/zinc/44/78/71/1038447871.db2.gz UPBRETXSXSESFI-ZDUSSCGKSA-N 1 2 365.373 2.771 20 10 FFCDLO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)cccc1Cl ZINC001278491271 1039883473 /nfs/dbraw/zinc/88/34/73/1039883473.db2.gz SLNUFNMTFLYSDX-OKILXGFUSA-N 1 2 358.829 2.931 20 10 FFCDLO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c(O)cccc1Cl ZINC001278491271 1039883493 /nfs/dbraw/zinc/88/34/93/1039883493.db2.gz SLNUFNMTFLYSDX-OKILXGFUSA-N 1 2 358.829 2.931 20 10 FFCDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249263673 1040655520 /nfs/dbraw/zinc/65/55/20/1040655520.db2.gz ROKSBPKCFFGFNB-OAHLLOKOSA-N 1 2 361.438 2.730 20 10 FFCDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249263673 1040655528 /nfs/dbraw/zinc/65/55/28/1040655528.db2.gz ROKSBPKCFFGFNB-OAHLLOKOSA-N 1 2 361.438 2.730 20 10 FFCDLO O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001237599234 1043262152 /nfs/dbraw/zinc/26/21/52/1043262152.db2.gz MMQCUOFSFUDOEE-AWEZNQCLSA-N 1 2 364.854 2.675 20 10 FFCDLO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237617409 1043274519 /nfs/dbraw/zinc/27/45/19/1043274519.db2.gz QDSJUZGBCUVHOY-RHSMWYFYSA-N 1 2 357.809 2.729 20 10 FFCDLO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237617409 1043274531 /nfs/dbraw/zinc/27/45/31/1043274531.db2.gz QDSJUZGBCUVHOY-RHSMWYFYSA-N 1 2 357.809 2.729 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)c1ccncc1 ZINC001237622819 1043279555 /nfs/dbraw/zinc/27/95/55/1043279555.db2.gz BKQSLYIYAOOTSN-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO Oc1cc(Cl)c(Cl)cc1CN1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001279664973 1043428050 /nfs/dbraw/zinc/42/80/50/1043428050.db2.gz HHVRPYCWTTZQGM-UHFFFAOYSA-N 1 2 367.280 2.856 20 10 FFCDLO Oc1cc(Cl)c(Cl)cc1CN1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001279664973 1043428055 /nfs/dbraw/zinc/42/80/55/1043428055.db2.gz HHVRPYCWTTZQGM-UHFFFAOYSA-N 1 2 367.280 2.856 20 10 FFCDLO COc1cccc(N2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)n1 ZINC001237950414 1043452927 /nfs/dbraw/zinc/45/29/27/1043452927.db2.gz STSAPMPFEWGSPK-UHFFFAOYSA-N 1 2 351.809 2.911 20 10 FFCDLO Cc1cc(F)cc(CN2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1O ZINC001238062920 1043509131 /nfs/dbraw/zinc/50/91/31/1043509131.db2.gz YZCLZYFWRSOWEK-UHFFFAOYSA-N 1 2 361.465 2.677 20 10 FFCDLO Cc1cc(F)cc(CN2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1O ZINC001238062920 1043509151 /nfs/dbraw/zinc/50/91/51/1043509151.db2.gz YZCLZYFWRSOWEK-UHFFFAOYSA-N 1 2 361.465 2.677 20 10 FFCDLO Cc1noc(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2ccc(N(C)C)cc2)c1C ZINC001279744728 1043575166 /nfs/dbraw/zinc/57/51/66/1043575166.db2.gz VFSFNLUEEIVJRB-OXJNMPFZSA-N 1 2 354.454 2.961 20 10 FFCDLO Cc1noc(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2ccc(N(C)C)cc2)c1C ZINC001279744728 1043575175 /nfs/dbraw/zinc/57/51/75/1043575175.db2.gz VFSFNLUEEIVJRB-OXJNMPFZSA-N 1 2 354.454 2.961 20 10 FFCDLO CC(C)(C)NC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2F)Cc2ccnn21 ZINC001280007146 1044077415 /nfs/dbraw/zinc/07/74/15/1044077415.db2.gz ZZKZFSDFKATUPU-MRXNPFEDSA-N 1 2 360.433 2.590 20 10 FFCDLO CC(C)(C)NC(=O)[C@H]1CC[N@@H+](Cc2c(O)cccc2F)Cc2ccnn21 ZINC001280007146 1044077428 /nfs/dbraw/zinc/07/74/28/1044077428.db2.gz ZZKZFSDFKATUPU-MRXNPFEDSA-N 1 2 360.433 2.590 20 10 FFCDLO COC1(CC(=O)N2CCC23C[NH+](Cc2cc(F)cc(C)c2O)C3)CCC1 ZINC001280033688 1044110364 /nfs/dbraw/zinc/11/03/64/1044110364.db2.gz QFYGYUNHOYCKMO-UHFFFAOYSA-N 1 2 362.445 2.586 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC001322873212 1046255286 /nfs/dbraw/zinc/25/52/86/1046255286.db2.gz ZOGXKFOIQORBQQ-PXNSSMCTSA-N 1 2 359.514 2.902 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3cnnn3-c3ccccc3)CC2)cc1 ZINC001329519315 1048755327 /nfs/dbraw/zinc/75/53/27/1048755327.db2.gz UXFUADIGLHMLSN-UHFFFAOYSA-N 1 2 363.465 2.988 20 10 FFCDLO COc1ccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c(O)c1 ZINC001296969173 1050108617 /nfs/dbraw/zinc/10/86/17/1050108617.db2.gz ZWSUMVNKDWBICB-QGZVFWFLSA-N 1 2 351.406 2.962 20 10 FFCDLO COc1ccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c(O)c1 ZINC001296969172 1050108629 /nfs/dbraw/zinc/10/86/29/1050108629.db2.gz ZWSUMVNKDWBICB-KRWDZBQOSA-N 1 2 351.406 2.962 20 10 FFCDLO CCOC(=O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC001307863192 1052357800 /nfs/dbraw/zinc/35/78/00/1052357800.db2.gz QHEVNCXIHVXJDQ-UHFFFAOYSA-N 1 2 374.393 2.745 20 10 FFCDLO CCOC(=O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC001307863192 1052357802 /nfs/dbraw/zinc/35/78/02/1052357802.db2.gz QHEVNCXIHVXJDQ-UHFFFAOYSA-N 1 2 374.393 2.745 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CCc3nc(C)c(C(C)=O)[nH]3)CC2)cc1 ZINC001347104031 1053623055 /nfs/dbraw/zinc/62/30/55/1053623055.db2.gz JOUAZDNAFRSWSS-UHFFFAOYSA-N 1 2 356.470 2.684 20 10 FFCDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccn12 ZINC000847393979 1055688674 /nfs/dbraw/zinc/68/86/74/1055688674.db2.gz SUVSYILDGGDBQZ-MRXNPFEDSA-N 1 2 364.449 2.970 20 10 FFCDLO CCc1cn(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c[nH+]1 ZINC001459261542 1060732916 /nfs/dbraw/zinc/73/29/16/1060732916.db2.gz NIICCECIPMOVRU-HUUCEWRRSA-N 1 2 374.460 2.515 20 10 FFCDLO Nc1ccc(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)c[nH+]1 ZINC001562966145 1074800644 /nfs/dbraw/zinc/80/06/44/1074800644.db2.gz NJNXDNMTOPFPGU-UHFFFAOYSA-N 1 2 359.393 2.695 20 10 FFCDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000051475449 507772239 /nfs/dbraw/zinc/77/22/39/507772239.db2.gz YUWUQUNZIPAEQO-LJQANCHMSA-N 1 2 356.470 2.845 20 10 FFCDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000051475449 507772243 /nfs/dbraw/zinc/77/22/43/507772243.db2.gz YUWUQUNZIPAEQO-LJQANCHMSA-N 1 2 356.470 2.845 20 10 FFCDLO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1O ZINC000187920157 510501216 /nfs/dbraw/zinc/50/12/16/510501216.db2.gz IQNRGSVCCCDDAL-LLVKDONJSA-N 1 2 367.371 2.892 20 10 FFCDLO CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cccc(Cl)c1O ZINC000287592335 511052772 /nfs/dbraw/zinc/05/27/72/511052772.db2.gz ICUFSDJINLTEOV-RISCZKNCSA-N 1 2 350.850 2.839 20 10 FFCDLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302332218 511708267 /nfs/dbraw/zinc/70/82/67/511708267.db2.gz ADOZVBJMFLRMMK-HOTGVXAUSA-N 1 2 355.486 2.924 20 10 FFCDLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302332218 511708273 /nfs/dbraw/zinc/70/82/73/511708273.db2.gz ADOZVBJMFLRMMK-HOTGVXAUSA-N 1 2 355.486 2.924 20 10 FFCDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3O)C2)nn1 ZINC000363905689 511843049 /nfs/dbraw/zinc/84/30/49/511843049.db2.gz DZVRESMLKWTRIA-LLVKDONJSA-N 1 2 371.224 2.524 20 10 FFCDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3O)C2)nn1 ZINC000363905689 511843057 /nfs/dbraw/zinc/84/30/57/511843057.db2.gz DZVRESMLKWTRIA-LLVKDONJSA-N 1 2 371.224 2.524 20 10 FFCDLO O=S1(=O)C[C@@H]([NH2+]Cc2cc(Br)ccc2O)c2ccccc21 ZINC000364058957 511936154 /nfs/dbraw/zinc/93/61/54/511936154.db2.gz XWKLBXIBLHBXTF-CYBMUJFWSA-N 1 2 368.252 2.773 20 10 FFCDLO Cc1csc(C2([NH2+]CC(=O)NCc3ccc(N(C)C)cc3)CCC2)n1 ZINC000275143803 512055472 /nfs/dbraw/zinc/05/54/72/512055472.db2.gz FCSPPNYMLLZIIL-UHFFFAOYSA-N 1 2 358.511 2.803 20 10 FFCDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cc(Br)ccc1O ZINC000373705797 512465939 /nfs/dbraw/zinc/46/59/39/512465939.db2.gz BBPDAVYWCYRVEC-UONOGXRCSA-N 1 2 354.244 2.725 20 10 FFCDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000373705797 512465945 /nfs/dbraw/zinc/46/59/45/512465945.db2.gz BBPDAVYWCYRVEC-UONOGXRCSA-N 1 2 354.244 2.725 20 10 FFCDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000367530136 512545863 /nfs/dbraw/zinc/54/58/63/512545863.db2.gz AKOPIEHGIQEOIS-HNNXBMFYSA-N 1 2 363.307 2.661 20 10 FFCDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000367530136 512545870 /nfs/dbraw/zinc/54/58/70/512545870.db2.gz AKOPIEHGIQEOIS-HNNXBMFYSA-N 1 2 363.307 2.661 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000372957601 513114812 /nfs/dbraw/zinc/11/48/12/513114812.db2.gz ZZCHZEUHSWMURO-MRXNPFEDSA-N 1 2 360.366 2.588 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000372957601 513114814 /nfs/dbraw/zinc/11/48/14/513114814.db2.gz ZZCHZEUHSWMURO-MRXNPFEDSA-N 1 2 360.366 2.588 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000471586363 514942501 /nfs/dbraw/zinc/94/25/01/514942501.db2.gz PAWDJQDVVVSQKV-UHFFFAOYSA-N 1 2 351.454 2.947 20 10 FFCDLO CCOC(=O)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000179748022 729193428 /nfs/dbraw/zinc/19/34/28/729193428.db2.gz DVGOLFPNOHXIKU-UHFFFAOYSA-N 1 2 357.248 2.819 20 10 FFCDLO CCOC(=O)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000179748022 729193429 /nfs/dbraw/zinc/19/34/29/729193429.db2.gz DVGOLFPNOHXIKU-UHFFFAOYSA-N 1 2 357.248 2.819 20 10 FFCDLO Oc1ccc(F)cc1C[NH+]1CCN(CCCOCC(F)(F)F)CC1 ZINC000179988433 729199795 /nfs/dbraw/zinc/19/97/95/729199795.db2.gz ZPULWCHFPGLDCE-UHFFFAOYSA-N 1 2 350.356 2.618 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000195318532 729536115 /nfs/dbraw/zinc/53/61/15/729536115.db2.gz UOAXQYBNACFJTF-BETUJISGSA-N 1 2 354.878 2.789 20 10 FFCDLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000856593738 730346770 /nfs/dbraw/zinc/34/67/70/730346770.db2.gz CIXRVDBEKBMTDK-KRWDZBQOSA-N 1 2 351.834 2.561 20 10 FFCDLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000856593738 730346773 /nfs/dbraw/zinc/34/67/73/730346773.db2.gz CIXRVDBEKBMTDK-KRWDZBQOSA-N 1 2 351.834 2.561 20 10 FFCDLO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC000862387758 730695685 /nfs/dbraw/zinc/69/56/85/730695685.db2.gz PZJUTTPQEALDQV-OAHLLOKOSA-N 1 2 374.300 2.555 20 10 FFCDLO O=S1(=O)CC[C@]2(C1)CCC[N@H+](Cc1c(O)cccc1Br)C2 ZINC000862387758 730695688 /nfs/dbraw/zinc/69/56/88/730695688.db2.gz PZJUTTPQEALDQV-OAHLLOKOSA-N 1 2 374.300 2.555 20 10 FFCDLO CCCn1cc(CN[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000865462602 730958268 /nfs/dbraw/zinc/95/82/68/730958268.db2.gz QIDSMPSCUAPWOT-MRXNPFEDSA-N 1 2 363.893 2.801 20 10 FFCDLO CCCn1cc(CN[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000865462602 730958271 /nfs/dbraw/zinc/95/82/71/730958271.db2.gz QIDSMPSCUAPWOT-MRXNPFEDSA-N 1 2 363.893 2.801 20 10 FFCDLO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1cc(Br)c(F)cc1O ZINC000927156496 738698100 /nfs/dbraw/zinc/69/81/00/738698100.db2.gz POQMWIMRJDMJEZ-AMFBXLIHSA-N 1 2 374.250 2.874 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000883089862 733330903 /nfs/dbraw/zinc/33/09/03/733330903.db2.gz VQNMOCTYLKDSND-UHFFFAOYSA-N 1 2 372.263 2.928 20 10 FFCDLO OC[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)c1cccnc1 ZINC000883121068 733338116 /nfs/dbraw/zinc/33/81/16/733338116.db2.gz WTQSFESDJARWTO-LBPRGKRZSA-N 1 2 355.207 2.555 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000883197929 733349726 /nfs/dbraw/zinc/34/97/26/733349726.db2.gz WBXNUFFDCGFONO-ZDUSSCGKSA-N 1 2 374.250 2.969 20 10 FFCDLO COc1cc(C[NH2+]Cc2nc(CSC)n[nH]2)c(O)c(C(C)(C)C)c1 ZINC000886325691 733773536 /nfs/dbraw/zinc/77/35/36/733773536.db2.gz OBCAQXGKPHZHLA-UHFFFAOYSA-N 1 2 350.488 2.969 20 10 FFCDLO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C2 ZINC000895456100 735009038 /nfs/dbraw/zinc/00/90/38/735009038.db2.gz CHIUFGRHZFPQTG-VPJDZLOFSA-N 1 2 358.207 2.725 20 10 FFCDLO COc1c(O)c(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774979310 738047517 /nfs/dbraw/zinc/04/75/17/738047517.db2.gz TWLHBWLFBUUYJE-SCLBCKFNSA-N 1 2 351.447 2.909 20 10 FFCDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000792175403 739646885 /nfs/dbraw/zinc/64/68/85/739646885.db2.gz SPFLSZOKJZWWRK-UHFFFAOYSA-N 1 2 362.829 2.504 20 10 FFCDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000792175403 739646889 /nfs/dbraw/zinc/64/68/89/739646889.db2.gz SPFLSZOKJZWWRK-UHFFFAOYSA-N 1 2 362.829 2.504 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(Br)cc(Cl)c1O ZINC000800499330 740528793 /nfs/dbraw/zinc/52/87/93/740528793.db2.gz WRUUZVAGFBJHQZ-SFYZADRCSA-N 1 2 367.646 2.933 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[C@H]1O ZINC000822503022 742745040 /nfs/dbraw/zinc/74/50/40/742745040.db2.gz CPOFHXYFTDFFRM-NXEZZACHSA-N 1 2 351.038 2.530 20 10 FFCDLO CCc1nc(CN2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)no1 ZINC000824769361 743145240 /nfs/dbraw/zinc/14/52/40/743145240.db2.gz TZJRJLJBYJUGRE-UHFFFAOYSA-N 1 2 350.850 2.617 20 10 FFCDLO COCc1cc(CN[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000838944947 746742964 /nfs/dbraw/zinc/74/29/64/746742964.db2.gz QJWGQUPLCDCVRP-HNNXBMFYSA-N 1 2 365.861 2.934 20 10 FFCDLO Cc1cc(O)c(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000840879271 747210549 /nfs/dbraw/zinc/21/05/49/747210549.db2.gz SOVNFHJQVNPLNK-QGZVFWFLSA-N 1 2 360.885 2.863 20 10 FFCDLO Cc1cc(O)c(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000840879271 747210551 /nfs/dbraw/zinc/21/05/51/747210551.db2.gz SOVNFHJQVNPLNK-QGZVFWFLSA-N 1 2 360.885 2.863 20 10 FFCDLO Cc1cc(O)c(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c(Cl)c1 ZINC000840916949 747224885 /nfs/dbraw/zinc/22/48/85/747224885.db2.gz LXHRPHNGWOMPPA-OAHLLOKOSA-N 1 2 366.889 2.957 20 10 FFCDLO Cc1cc(O)c(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c(Cl)c1 ZINC000840916949 747224890 /nfs/dbraw/zinc/22/48/90/747224890.db2.gz LXHRPHNGWOMPPA-OAHLLOKOSA-N 1 2 366.889 2.957 20 10 FFCDLO [O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841042220 747259935 /nfs/dbraw/zinc/25/99/35/747259935.db2.gz GHXGTWHTDCDNBP-SNVBAGLBSA-N 1 2 364.081 2.759 20 10 FFCDLO CCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000846207538 748430604 /nfs/dbraw/zinc/43/06/04/748430604.db2.gz CSLJUXKDHMNSKN-ZJUUUORDSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)cc(F)c1O ZINC000848565500 748961970 /nfs/dbraw/zinc/96/19/70/748961970.db2.gz XOALSOIPBFPERB-PSASIEDQSA-N 1 2 369.238 2.630 20 10 FFCDLO CC[C@@H]([NH2+]Cc1nc(COC)n[nH]1)c1cc(Br)ccc1O ZINC000850512898 749378588 /nfs/dbraw/zinc/37/85/88/749378588.db2.gz BUVNWXPAYJKLQO-LLVKDONJSA-N 1 2 355.236 2.660 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccc(F)cc1 ZINC000896573443 971593148 /nfs/dbraw/zinc/59/31/48/971593148.db2.gz USMCNNZPKVHSNL-MGPUTAFESA-N 1 2 372.488 2.597 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccc(F)cc1 ZINC000896573443 971593152 /nfs/dbraw/zinc/59/31/52/971593152.db2.gz USMCNNZPKVHSNL-MGPUTAFESA-N 1 2 372.488 2.597 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccc(F)cc1 ZINC000896573445 971593373 /nfs/dbraw/zinc/59/33/73/971593373.db2.gz USMCNNZPKVHSNL-YWZLYKJASA-N 1 2 372.488 2.597 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccc(F)cc1 ZINC000896573445 971593379 /nfs/dbraw/zinc/59/33/79/971593379.db2.gz USMCNNZPKVHSNL-YWZLYKJASA-N 1 2 372.488 2.597 20 10 FFCDLO O=C(C[N@@H+]1CCNC(=O)CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255008923 959886467 /nfs/dbraw/zinc/88/64/67/959886467.db2.gz GBNSVMVPOQRDDF-UHFFFAOYSA-N 1 2 351.410 2.862 20 10 FFCDLO O=C(C[N@H+]1CCNC(=O)CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255008923 959886480 /nfs/dbraw/zinc/88/64/80/959886480.db2.gz GBNSVMVPOQRDDF-UHFFFAOYSA-N 1 2 351.410 2.862 20 10 FFCDLO COc1ccccc1C[NH+]1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891925398 965415040 /nfs/dbraw/zinc/41/50/40/965415040.db2.gz FLBXJNWOXKIMFA-UHFFFAOYSA-N 1 2 372.465 2.736 20 10 FFCDLO CC[C@@H](CO)Nc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000892024818 965828942 /nfs/dbraw/zinc/82/89/42/965828942.db2.gz GPWGNCTYJSTXKO-RDJZCZTQSA-N 1 2 371.485 2.669 20 10 FFCDLO CC[C@@H](CO)Nc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH+]cn1 ZINC000892024818 965828953 /nfs/dbraw/zinc/82/89/53/965828953.db2.gz GPWGNCTYJSTXKO-RDJZCZTQSA-N 1 2 371.485 2.669 20 10 FFCDLO COC(=O)c1coc(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)c1 ZINC000895446534 970629338 /nfs/dbraw/zinc/62/93/38/970629338.db2.gz BZWXIKBAZZTYOQ-UHFFFAOYSA-N 1 2 374.368 2.773 20 10 FFCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001271800592 974347549 /nfs/dbraw/zinc/34/75/49/974347549.db2.gz DEYYPXODGNMTDY-UHFFFAOYSA-N 1 2 359.470 2.754 20 10 FFCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001271800592 974347550 /nfs/dbraw/zinc/34/75/50/974347550.db2.gz DEYYPXODGNMTDY-UHFFFAOYSA-N 1 2 359.470 2.754 20 10 FFCDLO Cc1ccc2c(c1)C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)CCO2 ZINC000796432341 1014668471 /nfs/dbraw/zinc/66/84/71/1014668471.db2.gz WGWHBINZIRHERD-UHFFFAOYSA-N 1 2 353.466 2.572 20 10 FFCDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)CCO2 ZINC000796432341 1014668476 /nfs/dbraw/zinc/66/84/76/1014668476.db2.gz WGWHBINZIRHERD-UHFFFAOYSA-N 1 2 353.466 2.572 20 10 FFCDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000878972677 1015309702 /nfs/dbraw/zinc/30/97/02/1015309702.db2.gz QLBZJHSIBULMNT-ZDUSSCGKSA-N 1 2 356.426 2.815 20 10 FFCDLO Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)n1-c1ccccn1 ZINC000073744002 988858572 /nfs/dbraw/zinc/85/85/72/988858572.db2.gz JOGNDHURYRBBRL-UHFFFAOYSA-N 1 2 361.449 2.847 20 10 FFCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C[C@H]1O ZINC001237783670 992715581 /nfs/dbraw/zinc/71/55/81/992715581.db2.gz LALWHXGSHMNPBL-WRWORJQWSA-N 1 2 354.166 2.986 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C[C@H]1O ZINC001237783670 992715587 /nfs/dbraw/zinc/71/55/87/992715587.db2.gz LALWHXGSHMNPBL-WRWORJQWSA-N 1 2 354.166 2.986 20 10 FFCDLO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(Cl)c3O)cc2)CC1 ZINC001132901320 995198780 /nfs/dbraw/zinc/19/87/80/995198780.db2.gz BTABIJZQRKVGHO-UHFFFAOYSA-N 1 2 359.857 2.727 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1C ZINC000730227353 996994637 /nfs/dbraw/zinc/99/46/37/996994637.db2.gz CMKVDGDIPHLVAI-QGZVFWFLSA-N 1 2 368.525 2.768 20 10 FFCDLO NC(=O)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Cc1ccc(F)cc1 ZINC001201786577 1005273210 /nfs/dbraw/zinc/27/32/10/1005273210.db2.gz KOVDSTLSRBWXOH-GFCCVEGCSA-N 1 2 354.784 2.758 20 10 FFCDLO COC(=O)Cc1cc[nH+]c(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000853195198 1006330059 /nfs/dbraw/zinc/33/00/59/1006330059.db2.gz DWPKPQNTJVDCOS-UHFFFAOYSA-N 1 2 373.428 2.509 20 10 FFCDLO COC(=O)Cc1cc[nH+]c(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000853699640 1006509775 /nfs/dbraw/zinc/50/97/75/1006509775.db2.gz JUGIOJQTQFPSQF-INIZCTEOSA-N 1 2 355.438 2.744 20 10 FFCDLO C/C(=C\C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C[NH+]1CCOCC1 ZINC001136705105 1009004798 /nfs/dbraw/zinc/00/47/98/1009004798.db2.gz AWHUGTBMKQDOCR-XDJHFCHBSA-N 1 2 371.525 2.818 20 10 FFCDLO Cc1cc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)cnc1C ZINC001217055785 1032598922 /nfs/dbraw/zinc/59/89/22/1032598922.db2.gz ACFYCOWWOFKKPO-UHFFFAOYSA-N 1 2 366.421 2.953 20 10 FFCDLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000924760230 1017467005 /nfs/dbraw/zinc/46/70/05/1017467005.db2.gz PCBORVLKELMGRE-CYBMUJFWSA-N 1 2 361.465 2.557 20 10 FFCDLO COc1ccc(N2CCC[N@H+](Cc3nc(COC(C)C)no3)CC2)cc1 ZINC000929315414 1019362756 /nfs/dbraw/zinc/36/27/56/1019362756.db2.gz JHXLPWWCCLIILW-UHFFFAOYSA-N 1 2 360.458 2.716 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](Cc3nc(COC(C)C)no3)CC2)cc1 ZINC000929315414 1019362773 /nfs/dbraw/zinc/36/27/73/1019362773.db2.gz JHXLPWWCCLIILW-UHFFFAOYSA-N 1 2 360.458 2.716 20 10 FFCDLO CCOc1ccc(N2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)cc1 ZINC001119533041 1022843727 /nfs/dbraw/zinc/84/37/27/1022843727.db2.gz QGTBVHOJNMLVHX-UHFFFAOYSA-N 1 2 356.470 2.674 20 10 FFCDLO COC1CCN(c2ccc(C[NH+]3CCC(c4n[nH]c(=O)[nH]4)CC3)cc2)CC1 ZINC000829344996 1033112081 /nfs/dbraw/zinc/11/20/81/1033112081.db2.gz FIJGIBLGBWIACD-UHFFFAOYSA-N 1 2 371.485 2.505 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1F ZINC000753857801 1023390564 /nfs/dbraw/zinc/39/05/64/1023390564.db2.gz PQJCAVDRGNGXBI-LJQANCHMSA-N 1 2 369.440 2.762 20 10 FFCDLO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2F)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001137834888 1033171503 /nfs/dbraw/zinc/17/15/03/1033171503.db2.gz XKQCJCKQXQACPO-FBBABVLZSA-N 1 2 371.456 2.648 20 10 FFCDLO CO[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001137834888 1033171510 /nfs/dbraw/zinc/17/15/10/1033171510.db2.gz XKQCJCKQXQACPO-FBBABVLZSA-N 1 2 371.456 2.648 20 10 FFCDLO CO[C@@H]1CCN(Cc2c(O)cccc2F)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001137834888 1033171516 /nfs/dbraw/zinc/17/15/16/1033171516.db2.gz XKQCJCKQXQACPO-FBBABVLZSA-N 1 2 371.456 2.648 20 10 FFCDLO CO[C@@H]1CCN(Cc2c(O)cccc2F)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001137834888 1033171525 /nfs/dbraw/zinc/17/15/25/1033171525.db2.gz XKQCJCKQXQACPO-FBBABVLZSA-N 1 2 371.456 2.648 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001137836332 1033176575 /nfs/dbraw/zinc/17/65/75/1033176575.db2.gz ZBKINYXORVREPI-RYQLBKOJSA-N 1 2 362.376 2.876 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001137836332 1033176584 /nfs/dbraw/zinc/17/65/84/1033176584.db2.gz ZBKINYXORVREPI-RYQLBKOJSA-N 1 2 362.376 2.876 20 10 FFCDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000779664357 1024386941 /nfs/dbraw/zinc/38/69/41/1024386941.db2.gz RWQLQDISSKOPQA-MRXNPFEDSA-N 1 2 366.421 2.909 20 10 FFCDLO CN1CCOc2cc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)ccc21 ZINC001141138888 1025504080 /nfs/dbraw/zinc/50/40/80/1025504080.db2.gz BWGGYVCCCMYDDJ-UHFFFAOYSA-N 1 2 355.457 2.972 20 10 FFCDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000780854025 1028831219 /nfs/dbraw/zinc/83/12/19/1028831219.db2.gz ACAZQYBPPBZVKG-UHFFFAOYSA-N 1 2 370.449 2.681 20 10 FFCDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1ccc(N2CCCC2)cc1 ZINC001204327521 1031229782 /nfs/dbraw/zinc/22/97/82/1031229782.db2.gz WWLUCTUIOFEKSL-UHFFFAOYSA-N 1 2 362.470 2.605 20 10 FFCDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1ccc(N2CCCC2)cc1 ZINC001204327521 1031229795 /nfs/dbraw/zinc/22/97/95/1031229795.db2.gz WWLUCTUIOFEKSL-UHFFFAOYSA-N 1 2 362.470 2.605 20 10 FFCDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967510 1033864929 /nfs/dbraw/zinc/86/49/29/1033864929.db2.gz NIAMPPODOWONFE-UHNFBRDESA-N 1 2 368.836 2.728 20 10 FFCDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967510 1033864937 /nfs/dbraw/zinc/86/49/37/1033864937.db2.gz NIAMPPODOWONFE-UHNFBRDESA-N 1 2 368.836 2.728 20 10 FFCDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337854 1034168202 /nfs/dbraw/zinc/16/82/02/1034168202.db2.gz DWWJNKRYNRFHJV-GOSISDBHSA-N 1 2 352.425 2.683 20 10 FFCDLO C[C@]1(CO)CC(F)(F)C[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337854 1034168206 /nfs/dbraw/zinc/16/82/06/1034168206.db2.gz DWWJNKRYNRFHJV-GOSISDBHSA-N 1 2 352.425 2.683 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097474 1034517119 /nfs/dbraw/zinc/51/71/19/1034517119.db2.gz HSFCQFRIUCHAJC-BFUOFWGJSA-N 1 2 368.424 2.520 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001139133752 1034962845 /nfs/dbraw/zinc/96/28/45/1034962845.db2.gz OLYTZBWWKVLACY-AWEZNQCLSA-N 1 2 367.405 2.559 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001139133752 1034962853 /nfs/dbraw/zinc/96/28/53/1034962853.db2.gz OLYTZBWWKVLACY-AWEZNQCLSA-N 1 2 367.405 2.559 20 10 FFCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH+]3CC4(CCO4)C3)cc2)CC1 ZINC001140481297 1035489049 /nfs/dbraw/zinc/48/90/49/1035489049.db2.gz NEXXTMSFRNHIKU-UHFFFAOYSA-N 1 2 373.497 2.718 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001140580555 1035658988 /nfs/dbraw/zinc/65/89/88/1035658988.db2.gz GWKMQLIUCMPVEA-BEFAXECRSA-N 1 2 362.376 2.878 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001140580555 1035658989 /nfs/dbraw/zinc/65/89/89/1035658989.db2.gz GWKMQLIUCMPVEA-BEFAXECRSA-N 1 2 362.376 2.878 20 10 FFCDLO CC[N@@H+]1CC[C@H](Oc2cc(O)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)C1 ZINC001227994595 1035860871 /nfs/dbraw/zinc/86/08/71/1035860871.db2.gz NPAZPTZCWFZPBI-ZDUSSCGKSA-N 1 2 367.401 2.655 20 10 FFCDLO CC[N@H+]1CC[C@H](Oc2cc(O)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)C1 ZINC001227994595 1035860882 /nfs/dbraw/zinc/86/08/82/1035860882.db2.gz NPAZPTZCWFZPBI-ZDUSSCGKSA-N 1 2 367.401 2.655 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c(O)c1 ZINC001232836006 1036090277 /nfs/dbraw/zinc/09/02/77/1036090277.db2.gz JQRDJLTXRUZYEQ-OAHLLOKOSA-N 1 2 367.465 2.849 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c(O)c1 ZINC001232836006 1036090298 /nfs/dbraw/zinc/09/02/98/1036090298.db2.gz JQRDJLTXRUZYEQ-OAHLLOKOSA-N 1 2 367.465 2.849 20 10 FFCDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1ccc(N(CC)CC)cc1O ZINC001140856969 1036294954 /nfs/dbraw/zinc/29/49/54/1036294954.db2.gz JUENHKDLPFLUSS-INIZCTEOSA-N 1 2 352.500 2.719 20 10 FFCDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1ccc(N(CC)CC)cc1O ZINC001140856969 1036294962 /nfs/dbraw/zinc/29/49/62/1036294962.db2.gz JUENHKDLPFLUSS-INIZCTEOSA-N 1 2 352.500 2.719 20 10 FFCDLO NC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)cc1 ZINC001233079610 1036328329 /nfs/dbraw/zinc/32/83/29/1036328329.db2.gz HAHUGRRQWWRNHT-OAHLLOKOSA-N 1 2 362.376 2.813 20 10 FFCDLO NC(=O)c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)cc1 ZINC001233079610 1036328350 /nfs/dbraw/zinc/32/83/50/1036328350.db2.gz HAHUGRRQWWRNHT-OAHLLOKOSA-N 1 2 362.376 2.813 20 10 FFCDLO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4c(O)ccc(F)c4F)C[C@H]3O2)n1 ZINC001233333215 1036539028 /nfs/dbraw/zinc/53/90/28/1036539028.db2.gz OAGUJQJBNZSMPT-NZVBXONLSA-N 1 2 351.353 2.714 20 10 FFCDLO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4c(O)ccc(F)c4F)C[C@H]3O2)n1 ZINC001233333215 1036539031 /nfs/dbraw/zinc/53/90/31/1036539031.db2.gz OAGUJQJBNZSMPT-NZVBXONLSA-N 1 2 351.353 2.714 20 10 FFCDLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453235 1036633287 /nfs/dbraw/zinc/63/32/87/1036633287.db2.gz ZZVAKFHMCCXRDE-LBPRGKRZSA-N 1 2 370.375 2.768 20 10 FFCDLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453235 1036633292 /nfs/dbraw/zinc/63/32/92/1036633292.db2.gz ZZVAKFHMCCXRDE-LBPRGKRZSA-N 1 2 370.375 2.768 20 10 FFCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)CC12CC2 ZINC001235075065 1037344801 /nfs/dbraw/zinc/34/48/01/1037344801.db2.gz ISALQBZLPQEGGQ-NSHDSACASA-N 1 2 358.207 2.679 20 10 FFCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)CC12CC2 ZINC001235075065 1037344815 /nfs/dbraw/zinc/34/48/15/1037344815.db2.gz ISALQBZLPQEGGQ-NSHDSACASA-N 1 2 358.207 2.679 20 10 FFCDLO CN(C1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1)[C@@H]1CCOC1 ZINC001231470004 1037614966 /nfs/dbraw/zinc/61/49/66/1037614966.db2.gz MVWUJSABWMVQRA-LJQANCHMSA-N 1 2 368.477 2.876 20 10 FFCDLO CC(C)c1ccc(C[N@@H+]2C[C@]3(F)CN(CC(F)F)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277976634 1037823449 /nfs/dbraw/zinc/82/34/49/1037823449.db2.gz RQOZOLSCZQRBME-ZWKOTPCHSA-N 1 2 374.378 2.855 20 10 FFCDLO CC(C)c1ccc(C[N@H+]2C[C@]3(F)CN(CC(F)F)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277976634 1037823470 /nfs/dbraw/zinc/82/34/70/1037823470.db2.gz RQOZOLSCZQRBME-ZWKOTPCHSA-N 1 2 374.378 2.855 20 10 FFCDLO CC(C)(C)OC(=O)NCCN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231910385 1038007822 /nfs/dbraw/zinc/00/78/22/1038007822.db2.gz NSKJEWOVJFIPSL-UHFFFAOYSA-N 1 2 369.893 2.688 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3cncnc3)CC2)c1 ZINC001236668438 1038181737 /nfs/dbraw/zinc/18/17/37/1038181737.db2.gz DOLSPOBOUSJMRL-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC(N3Cc4ccccc4NC3=O)C2)cc1OC ZINC001236751188 1038237275 /nfs/dbraw/zinc/23/72/75/1038237275.db2.gz CXHSSSXVFIVKLS-UHFFFAOYSA-N 1 2 369.421 2.641 20 10 FFCDLO O=C([C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1Cl)N1CCOCC1 ZINC001237083181 1038439893 /nfs/dbraw/zinc/43/98/93/1038439893.db2.gz ZRARHOYAJJOAQV-CQSZACIVSA-N 1 2 373.280 2.912 20 10 FFCDLO O=C([C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1Cl)N1CCOCC1 ZINC001237083181 1038439895 /nfs/dbraw/zinc/43/98/95/1038439895.db2.gz ZRARHOYAJJOAQV-CQSZACIVSA-N 1 2 373.280 2.912 20 10 FFCDLO O[C@H](C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC001250977690 1038872251 /nfs/dbraw/zinc/87/22/51/1038872251.db2.gz KRZIETATJQNJLR-GFCCVEGCSA-N 1 2 358.282 2.630 20 10 FFCDLO COC[C@H]1C[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)Cc2nnn(C)c21 ZINC001209516935 1038949443 /nfs/dbraw/zinc/94/94/43/1038949443.db2.gz UCZZSZRFXKZJRA-GOSISDBHSA-N 1 2 365.481 2.968 20 10 FFCDLO COC[C@H]1C[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)Cc2nnn(C)c21 ZINC001209516935 1038949453 /nfs/dbraw/zinc/94/94/53/1038949453.db2.gz UCZZSZRFXKZJRA-GOSISDBHSA-N 1 2 365.481 2.968 20 10 FFCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001262617033 1041756887 /nfs/dbraw/zinc/75/68/87/1041756887.db2.gz HCTOXHOBEZAFFA-JXFKEZNVSA-N 1 2 354.450 2.813 20 10 FFCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001262617033 1041756894 /nfs/dbraw/zinc/75/68/94/1041756894.db2.gz HCTOXHOBEZAFFA-JXFKEZNVSA-N 1 2 354.450 2.813 20 10 FFCDLO Cc1c(O)ccc(CN2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1O ZINC001279313961 1042996543 /nfs/dbraw/zinc/99/65/43/1042996543.db2.gz QRUBAAXHUHTYRR-GASCZTMLSA-N 1 2 374.403 2.634 20 10 FFCDLO Cc1c(O)ccc(CN2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1O ZINC001279313961 1042996545 /nfs/dbraw/zinc/99/65/45/1042996545.db2.gz QRUBAAXHUHTYRR-GASCZTMLSA-N 1 2 374.403 2.634 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1CCC2(C[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001279421369 1043095029 /nfs/dbraw/zinc/09/50/29/1043095029.db2.gz GCXXNCYBPQKFNG-UHFFFAOYSA-N 1 2 357.429 2.527 20 10 FFCDLO COCCOCN1CCC2(C[NH+](Cc3cccc(C(F)(F)F)c3O)C2)C1 ZINC001279506564 1043202021 /nfs/dbraw/zinc/20/20/21/1043202021.db2.gz XMCINYWNNLDODB-UHFFFAOYSA-N 1 2 374.403 2.539 20 10 FFCDLO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001279570509 1043273425 /nfs/dbraw/zinc/27/34/25/1043273425.db2.gz MUFIEWBXNDHCDL-HNNXBMFYSA-N 1 2 374.868 2.918 20 10 FFCDLO CCCNC(=O)COC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237802142 1043367648 /nfs/dbraw/zinc/36/76/48/1043367648.db2.gz LCJKNFLIKSPCRS-UHFFFAOYSA-N 1 2 358.841 2.692 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCc3onc(C(N)=O)c3C2)cc1 ZINC001279853825 1043778694 /nfs/dbraw/zinc/77/86/94/1043778694.db2.gz GMNYVCWRMRMQPU-UHFFFAOYSA-N 1 2 350.422 2.739 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCc3onc(C(N)=O)c3C2)cc1 ZINC001279853825 1043778700 /nfs/dbraw/zinc/77/87/00/1043778700.db2.gz GMNYVCWRMRMQPU-UHFFFAOYSA-N 1 2 350.422 2.739 20 10 FFCDLO C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)n1cc[nH+]c1 ZINC001322290209 1046031358 /nfs/dbraw/zinc/03/13/58/1046031358.db2.gz NTUTZHALBPZFAL-APWZRJJASA-N 1 2 356.470 2.718 20 10 FFCDLO CS(=O)(=O)N1CC[N@H+](Cc2ccc(Cl)cc2O)Cc2ccccc21 ZINC001308606226 1052476074 /nfs/dbraw/zinc/47/60/74/1052476074.db2.gz AYICYYGOSRVTGY-UHFFFAOYSA-N 1 2 366.870 2.827 20 10 FFCDLO CS(=O)(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2O)Cc2ccccc21 ZINC001308606226 1052476079 /nfs/dbraw/zinc/47/60/79/1052476079.db2.gz AYICYYGOSRVTGY-UHFFFAOYSA-N 1 2 366.870 2.827 20 10 FFCDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCN1C(=O)c1cscn1 ZINC001462310490 1061580483 /nfs/dbraw/zinc/58/04/83/1061580483.db2.gz KDHXFKUGELPHCA-NSHDSACASA-N 1 2 351.859 2.849 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCN1C(=O)c1cscn1 ZINC001462310490 1061580503 /nfs/dbraw/zinc/58/05/03/1061580503.db2.gz KDHXFKUGELPHCA-NSHDSACASA-N 1 2 351.859 2.849 20 10 FFCDLO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001470724345 1064429107 /nfs/dbraw/zinc/42/91/07/1064429107.db2.gz FJFIFSISJSYFGH-CQSZACIVSA-N 1 2 370.430 2.805 20 10 FFCDLO C[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589977738 1080916897 /nfs/dbraw/zinc/91/68/97/1080916897.db2.gz HPSLBGMZPFBAMR-FZKQIMNGSA-N 1 2 357.458 2.962 20 10 FFCDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000108791185 507918606 /nfs/dbraw/zinc/91/86/06/507918606.db2.gz QPOPVVZAKVFRPB-ZZXKWVIFSA-N 1 2 366.465 2.597 20 10 FFCDLO CC(=O)Nc1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000096971053 508216472 /nfs/dbraw/zinc/21/64/72/508216472.db2.gz YVUWYNXWOQMJNU-INIZCTEOSA-N 1 2 361.467 2.988 20 10 FFCDLO CC(=O)Nc1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000096971053 508216476 /nfs/dbraw/zinc/21/64/76/508216476.db2.gz YVUWYNXWOQMJNU-INIZCTEOSA-N 1 2 361.467 2.988 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2)CC1 ZINC000152363751 508432251 /nfs/dbraw/zinc/43/22/51/508432251.db2.gz KAWSSLSRLAAATH-SFHVURJKSA-N 1 2 352.482 2.998 20 10 FFCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1 ZINC000264963726 509799594 /nfs/dbraw/zinc/79/95/94/509799594.db2.gz OYBYNRZDEWBUSE-UHFFFAOYSA-N 1 2 359.382 2.543 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CCCC3=O)CC2)c1O ZINC000177125039 509887462 /nfs/dbraw/zinc/88/74/62/509887462.db2.gz JFPWSTYHUPEBCC-UHFFFAOYSA-N 1 2 350.846 2.835 20 10 FFCDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000180616783 510014430 /nfs/dbraw/zinc/01/44/30/510014430.db2.gz LUFFUAURJVNBND-ZLQZBKBYSA-N 1 2 367.380 2.889 20 10 FFCDLO COCCN(C)c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)c[nH+]1 ZINC000190248438 510025703 /nfs/dbraw/zinc/02/57/03/510025703.db2.gz YWIHVVUMQKAIKO-NTCAYCPXSA-N 1 2 360.483 2.620 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1O ZINC000187800891 510444883 /nfs/dbraw/zinc/44/48/83/510444883.db2.gz PJZUSPOQENYBDL-LDYMZIIASA-N 1 2 352.303 2.874 20 10 FFCDLO CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000275990706 510923491 /nfs/dbraw/zinc/92/34/91/510923491.db2.gz ZGSWYWDJXLXJKO-UHFFFAOYSA-N 1 2 366.421 2.726 20 10 FFCDLO NC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000270693134 510952575 /nfs/dbraw/zinc/95/25/75/510952575.db2.gz WQAFAFVHIJPRTG-GSWFEHRJSA-N 1 2 366.425 2.783 20 10 FFCDLO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000270693134 510952578 /nfs/dbraw/zinc/95/25/78/510952578.db2.gz WQAFAFVHIJPRTG-GSWFEHRJSA-N 1 2 366.425 2.783 20 10 FFCDLO CN(C)c1ccc(CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C2CC2)cc1 ZINC000298884858 511442187 /nfs/dbraw/zinc/44/21/87/511442187.db2.gz RZRLSERVSMGRNJ-UHFFFAOYSA-N 1 2 374.529 2.537 20 10 FFCDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cc(Br)ccc1O ZINC000373705798 512465896 /nfs/dbraw/zinc/46/58/96/512465896.db2.gz BBPDAVYWCYRVEC-ZIAGYGMSSA-N 1 2 354.244 2.725 20 10 FFCDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000373705798 512465903 /nfs/dbraw/zinc/46/59/03/512465903.db2.gz BBPDAVYWCYRVEC-ZIAGYGMSSA-N 1 2 354.244 2.725 20 10 FFCDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cc(Br)ccc1O ZINC000373705796 512466170 /nfs/dbraw/zinc/46/61/70/512466170.db2.gz BBPDAVYWCYRVEC-KGLIPLIRSA-N 1 2 354.244 2.725 20 10 FFCDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000373705796 512466173 /nfs/dbraw/zinc/46/61/73/512466173.db2.gz BBPDAVYWCYRVEC-KGLIPLIRSA-N 1 2 354.244 2.725 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000370032499 512735071 /nfs/dbraw/zinc/73/50/71/512735071.db2.gz LKNYAGDHBFALDR-ZBEGNZNMSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000370032499 512735075 /nfs/dbraw/zinc/73/50/75/512735075.db2.gz LKNYAGDHBFALDR-ZBEGNZNMSA-N 1 2 372.259 2.543 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)c1[nH+]cnc2c1cnn2C ZINC000131222003 728721771 /nfs/dbraw/zinc/72/17/71/728721771.db2.gz LLEHCVLSFAFYGS-UHFFFAOYSA-N 1 2 362.231 2.858 20 10 FFCDLO Cc1ccsc1/C=C1/SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000255422554 729639590 /nfs/dbraw/zinc/63/95/90/729639590.db2.gz UWRAAKVLIUYSDK-SDNWHVSQSA-N 1 2 368.549 2.980 20 10 FFCDLO CCC[N@@H+](Cc1c(O)cccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000862213710 730676685 /nfs/dbraw/zinc/67/66/85/730676685.db2.gz TUUPEXAZCIJMAQ-LLVKDONJSA-N 1 2 362.289 2.554 20 10 FFCDLO CCC[N@@H+](Cc1c(O)cccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000862213711 730676777 /nfs/dbraw/zinc/67/67/77/730676777.db2.gz TUUPEXAZCIJMAQ-NSHDSACASA-N 1 2 362.289 2.554 20 10 FFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c(O)cccc1Br ZINC000862338220 730689770 /nfs/dbraw/zinc/68/97/70/730689770.db2.gz MYUCPDFFDVPHND-PGUXBMHVSA-N 1 2 354.244 2.928 20 10 FFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c(O)cccc1Br ZINC000862338220 730689771 /nfs/dbraw/zinc/68/97/71/730689771.db2.gz MYUCPDFFDVPHND-PGUXBMHVSA-N 1 2 354.244 2.928 20 10 FFCDLO C[C@@H]1CN(CC[N@H+](C)Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000862351696 730691004 /nfs/dbraw/zinc/69/10/04/730691004.db2.gz QRHZRCAAATXLIW-BETUJISGSA-N 1 2 357.292 2.696 20 10 FFCDLO C[C@@H]1CN(CC[N@@H+](C)Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000862351696 730691006 /nfs/dbraw/zinc/69/10/06/730691006.db2.gz QRHZRCAAATXLIW-BETUJISGSA-N 1 2 357.292 2.696 20 10 FFCDLO C[C@@H]1C[N@@H+](CCN(C)Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000862351696 730691009 /nfs/dbraw/zinc/69/10/09/730691009.db2.gz QRHZRCAAATXLIW-BETUJISGSA-N 1 2 357.292 2.696 20 10 FFCDLO C[C@@H]1C[N@H+](CCN(C)Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000862351696 730691010 /nfs/dbraw/zinc/69/10/10/730691010.db2.gz QRHZRCAAATXLIW-BETUJISGSA-N 1 2 357.292 2.696 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000866431490 731059766 /nfs/dbraw/zinc/05/97/66/731059766.db2.gz UKSOGUACQWIPMV-SECBINFHSA-N 1 2 368.231 2.526 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823135 732441989 /nfs/dbraw/zinc/44/19/89/732441989.db2.gz VCRJITZBQONDFQ-SKDRFNHKSA-N 1 2 364.320 2.851 20 10 FFCDLO COc1c(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823135 732441997 /nfs/dbraw/zinc/44/19/97/732441997.db2.gz VCRJITZBQONDFQ-SKDRFNHKSA-N 1 2 364.320 2.851 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)c1O ZINC000879759110 732762825 /nfs/dbraw/zinc/76/28/25/732762825.db2.gz BPXYZVALRISCDQ-UHFFFAOYSA-N 1 2 350.434 2.814 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c1O ZINC000879759110 732762829 /nfs/dbraw/zinc/76/28/29/732762829.db2.gz BPXYZVALRISCDQ-UHFFFAOYSA-N 1 2 350.434 2.814 20 10 FFCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@@H]1CN(C)CCO1 ZINC000883051437 733326236 /nfs/dbraw/zinc/32/62/36/733326236.db2.gz BKRVFMHHUINEHS-RNCFNFMXSA-N 1 2 363.683 2.617 20 10 FFCDLO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1=O ZINC000883152422 733343118 /nfs/dbraw/zinc/34/31/18/733343118.db2.gz UZCMSERQTAEGEF-LBPRGKRZSA-N 1 2 359.239 2.783 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000720426008 734379022 /nfs/dbraw/zinc/37/90/22/734379022.db2.gz VSODKSLELBYYOR-KGLIPLIRSA-N 1 2 357.317 2.824 20 10 FFCDLO CN(C)Cc1csc(C[NH2+]Cc2c(O)cccc2Br)n1 ZINC000722406336 734384849 /nfs/dbraw/zinc/38/48/49/734384849.db2.gz HXDJKBDBEQKMEW-UHFFFAOYSA-N 1 2 356.289 2.963 20 10 FFCDLO O=C([C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1)N1CCCC1 ZINC000894780426 734915563 /nfs/dbraw/zinc/91/55/63/734915563.db2.gz CVQUSOCETSPVNK-LLVKDONJSA-N 1 2 371.250 2.738 20 10 FFCDLO O=C([C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1)N1CCCC1 ZINC000894780426 734915565 /nfs/dbraw/zinc/91/55/65/734915565.db2.gz CVQUSOCETSPVNK-LLVKDONJSA-N 1 2 371.250 2.738 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(Br)cn2)c1 ZINC000903320312 736075081 /nfs/dbraw/zinc/07/50/81/736075081.db2.gz FEEQDJABSDYKQV-SECBINFHSA-N 1 2 366.215 2.582 20 10 FFCDLO COc1nn(C)cc1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000903338901 736077213 /nfs/dbraw/zinc/07/72/13/736077213.db2.gz UOEPVOGATBGZQX-QMMMGPOBSA-N 1 2 358.211 2.887 20 10 FFCDLO CC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000756362097 736325326 /nfs/dbraw/zinc/32/53/26/736325326.db2.gz MKTLBJDRKYWEFZ-SECBINFHSA-N 1 2 359.239 2.955 20 10 FFCDLO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Br)c(F)cc1O ZINC000756368008 736325340 /nfs/dbraw/zinc/32/53/40/736325340.db2.gz NNSWTCWVLZTAFO-SECBINFHSA-N 1 2 371.206 2.967 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000756539471 736339669 /nfs/dbraw/zinc/33/96/69/736339669.db2.gz NRWTTZLWFHUEFN-SNVBAGLBSA-N 1 2 357.332 2.788 20 10 FFCDLO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)c(F)cc1O ZINC000756542473 736340578 /nfs/dbraw/zinc/34/05/78/736340578.db2.gz ANOQJIMKGGQVME-MNOVXSKESA-N 1 2 361.255 2.665 20 10 FFCDLO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756578931 736344507 /nfs/dbraw/zinc/34/45/07/736344507.db2.gz YORYVNGCTKQBNN-AMIZOPFISA-N 1 2 352.656 2.856 20 10 FFCDLO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756657642 736350239 /nfs/dbraw/zinc/35/02/39/736350239.db2.gz DYIMGHDHYSGUBH-IUCAKERBSA-N 1 2 368.268 2.768 20 10 FFCDLO CC(C)N1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000756739805 736357051 /nfs/dbraw/zinc/35/70/51/736357051.db2.gz ZEEOUTPMACHOHN-GXSJLCMTSA-N 1 2 359.239 2.954 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000768530907 737429996 /nfs/dbraw/zinc/42/99/96/737429996.db2.gz OZALQZKJMAOFGJ-UHFFFAOYSA-N 1 2 350.434 2.580 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000768530907 737429998 /nfs/dbraw/zinc/42/99/98/737429998.db2.gz OZALQZKJMAOFGJ-UHFFFAOYSA-N 1 2 350.434 2.580 20 10 FFCDLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000775255807 738076577 /nfs/dbraw/zinc/07/65/77/738076577.db2.gz RBECYYIGYAMYLG-CYBMUJFWSA-N 1 2 360.483 2.789 20 10 FFCDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775740014 738119832 /nfs/dbraw/zinc/11/98/32/738119832.db2.gz JJQOWPQIROAVBC-CQSZACIVSA-N 1 2 374.275 2.862 20 10 FFCDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775740014 738119833 /nfs/dbraw/zinc/11/98/33/738119833.db2.gz JJQOWPQIROAVBC-CQSZACIVSA-N 1 2 374.275 2.862 20 10 FFCDLO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775741737 738120380 /nfs/dbraw/zinc/12/03/80/738120380.db2.gz PZANGJMADPRIBT-BZNIZROVSA-N 1 2 353.825 2.864 20 10 FFCDLO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775741737 738120383 /nfs/dbraw/zinc/12/03/83/738120383.db2.gz PZANGJMADPRIBT-BZNIZROVSA-N 1 2 353.825 2.864 20 10 FFCDLO COCC[N@H+](Cc1ccnn1C)Cc1cc(C)cc(Br)c1O ZINC000787330535 739127776 /nfs/dbraw/zinc/12/77/76/739127776.db2.gz AZMPTVGJQIDGQY-UHFFFAOYSA-N 1 2 368.275 2.845 20 10 FFCDLO COCC[N@@H+](Cc1ccnn1C)Cc1cc(C)cc(Br)c1O ZINC000787330535 739127780 /nfs/dbraw/zinc/12/77/80/739127780.db2.gz AZMPTVGJQIDGQY-UHFFFAOYSA-N 1 2 368.275 2.845 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790131834 739420839 /nfs/dbraw/zinc/42/08/39/739420839.db2.gz MCPGGFIQTOVQPG-INIZCTEOSA-N 1 2 361.511 2.948 20 10 FFCDLO CN(CC[NH2+]Cc1cccc(Cl)c1O)S(=O)(=O)c1ccc(F)cc1 ZINC000798086576 740303130 /nfs/dbraw/zinc/30/31/30/740303130.db2.gz QYAUTEPHJFKHQZ-UHFFFAOYSA-N 1 2 372.849 2.595 20 10 FFCDLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(Br)c1O)C(C)(C)CO ZINC000824672477 743126415 /nfs/dbraw/zinc/12/64/15/743126415.db2.gz CDKRLNRROZRTTH-AWEZNQCLSA-N 1 2 368.275 2.738 20 10 FFCDLO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000825045611 743200311 /nfs/dbraw/zinc/20/03/11/743200311.db2.gz IBJNMEQJLWDUKA-IUODEOHRSA-N 1 2 366.259 2.898 20 10 FFCDLO Cc1cc(C[N@H+](CCS(C)(=O)=O)C2CC2)ccc1N1CCCCC1 ZINC000828479494 745072390 /nfs/dbraw/zinc/07/23/90/745072390.db2.gz CLRIKWXXBFLLNP-UHFFFAOYSA-N 1 2 350.528 2.994 20 10 FFCDLO Cc1cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)ccc1N1CCCCC1 ZINC000828479494 745072397 /nfs/dbraw/zinc/07/23/97/745072397.db2.gz CLRIKWXXBFLLNP-UHFFFAOYSA-N 1 2 350.528 2.994 20 10 FFCDLO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000839676455 746889987 /nfs/dbraw/zinc/88/99/87/746889987.db2.gz LBZFNIVRFOLCSA-LBPRGKRZSA-N 1 2 357.859 2.586 20 10 FFCDLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000839676455 746889994 /nfs/dbraw/zinc/88/99/94/746889994.db2.gz LBZFNIVRFOLCSA-LBPRGKRZSA-N 1 2 357.859 2.586 20 10 FFCDLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(Br)cc1O ZINC000848557792 748960156 /nfs/dbraw/zinc/96/01/56/748960156.db2.gz LMJJTFIXNKHRQQ-NOZJJQNGSA-N 1 2 367.247 2.975 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)cc(F)c1O ZINC000848565503 748962150 /nfs/dbraw/zinc/96/21/50/748962150.db2.gz XOALSOIPBFPERB-WPRPVWTQSA-N 1 2 369.238 2.630 20 10 FFCDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000895893484 971050209 /nfs/dbraw/zinc/05/02/09/971050209.db2.gz CEGIDHRSIKQAKS-MRXNPFEDSA-N 1 2 356.470 2.641 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837034 1013059162 /nfs/dbraw/zinc/05/91/62/1013059162.db2.gz AOQBFRMQKXMSIL-KPZWWZAWSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837034 1013059173 /nfs/dbraw/zinc/05/91/73/1013059173.db2.gz AOQBFRMQKXMSIL-KPZWWZAWSA-N 1 2 350.846 2.590 20 10 FFCDLO COc1ccc(C[NH2+]Cc2nc(Cc3ccccc3F)no2)c(O)c1OC ZINC000896052260 971198801 /nfs/dbraw/zinc/19/88/01/971198801.db2.gz RQQTXCFQYNTRLO-UHFFFAOYSA-N 1 2 373.384 2.812 20 10 FFCDLO COCCOCN1CC2(C1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001279441850 962315741 /nfs/dbraw/zinc/31/57/41/962315741.db2.gz HJZZTWJYEYMQJN-UHFFFAOYSA-N 1 2 354.878 2.564 20 10 FFCDLO COc1ccc(Br)c(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1O ZINC001206237825 1013360572 /nfs/dbraw/zinc/36/05/72/1013360572.db2.gz MJAPKDUCOQPPBR-LBPRGKRZSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1ccc(Br)c(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c1O ZINC001206237825 1013360580 /nfs/dbraw/zinc/36/05/80/1013360580.db2.gz MJAPKDUCOQPPBR-LBPRGKRZSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NCC[N@@H+]3CCOC[C@H]3C)c2C)cc1 ZINC000729384627 978270344 /nfs/dbraw/zinc/27/03/44/978270344.db2.gz AMKRBOAJIITXHG-MRXNPFEDSA-N 1 2 371.481 2.553 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NCC[N@H+]3CCOC[C@H]3C)c2C)cc1 ZINC000729384627 978270352 /nfs/dbraw/zinc/27/03/52/978270352.db2.gz AMKRBOAJIITXHG-MRXNPFEDSA-N 1 2 371.481 2.553 20 10 FFCDLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000921574813 985408928 /nfs/dbraw/zinc/40/89/28/985408928.db2.gz NADHFTOGDNLGJR-INIZCTEOSA-N 1 2 370.497 2.964 20 10 FFCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000186438033 986705152 /nfs/dbraw/zinc/70/51/52/986705152.db2.gz MASFZTOJXJZSML-ZDUSSCGKSA-N 1 2 354.410 2.949 20 10 FFCDLO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000179927798 991380882 /nfs/dbraw/zinc/38/08/82/991380882.db2.gz DPHCIHLWCAKZAZ-UHFFFAOYSA-N 1 2 374.824 2.732 20 10 FFCDLO CCC1(CC)CN(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C(=O)O1 ZINC000180228221 991460574 /nfs/dbraw/zinc/46/05/74/991460574.db2.gz MRXHJMPZRWCONR-UHFFFAOYSA-N 1 2 361.486 2.924 20 10 FFCDLO CCC1(CC)CN(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C(=O)O1 ZINC000180228221 991460580 /nfs/dbraw/zinc/46/05/80/991460580.db2.gz MRXHJMPZRWCONR-UHFFFAOYSA-N 1 2 361.486 2.924 20 10 FFCDLO C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(C(=O)[O-])ccc1O ZINC001593304250 994743694 /nfs/dbraw/zinc/74/36/94/994743694.db2.gz JNWAPQPIRSGCNE-OAHLLOKOSA-N 1 2 370.449 2.773 20 10 FFCDLO CCOC(=O)c1[nH]ccc1C[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001144337481 998387784 /nfs/dbraw/zinc/38/77/84/998387784.db2.gz DDJBXWKPEQSYHA-UHFFFAOYSA-N 1 2 357.454 2.831 20 10 FFCDLO O=C(NCc1ccc(O)cc1O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000827653653 999517612 /nfs/dbraw/zinc/51/76/12/999517612.db2.gz VXJJUABGMXXQJG-SFHVURJKSA-N 1 2 358.463 2.504 20 10 FFCDLO COc1ccc(N2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000738949335 999636780 /nfs/dbraw/zinc/63/67/80/999636780.db2.gz MISDUDHQNJNTJG-UHFFFAOYSA-N 1 2 351.410 2.697 20 10 FFCDLO COc1cccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1O ZINC000745404860 999911727 /nfs/dbraw/zinc/91/17/27/999911727.db2.gz NUYXPJBRMAJSIB-UHFFFAOYSA-N 1 2 366.421 2.645 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CCC4(CCC4)C3)cc12 ZINC001184359680 1002568330 /nfs/dbraw/zinc/56/83/30/1002568330.db2.gz RXRJCIVGHXZOJR-UHFFFAOYSA-N 1 2 370.449 2.641 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CCC4(CCC4)C3)cc12 ZINC001184359680 1002568337 /nfs/dbraw/zinc/56/83/37/1002568337.db2.gz RXRJCIVGHXZOJR-UHFFFAOYSA-N 1 2 370.449 2.641 20 10 FFCDLO CCC1([NH+]2CCOCC2)CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000860027945 1008787733 /nfs/dbraw/zinc/78/77/33/1008787733.db2.gz KBVGENDTJIDPOR-UHFFFAOYSA-N 1 2 364.461 2.811 20 10 FFCDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000119776884 1010374118 /nfs/dbraw/zinc/37/41/18/1010374118.db2.gz MGVMCTLSBQBFHW-HNNXBMFYSA-N 1 2 369.517 2.703 20 10 FFCDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000119776884 1010374129 /nfs/dbraw/zinc/37/41/29/1010374129.db2.gz MGVMCTLSBQBFHW-HNNXBMFYSA-N 1 2 369.517 2.703 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1F ZINC000121891091 1011110846 /nfs/dbraw/zinc/11/08/46/1011110846.db2.gz JOJZDYGPPUSNCC-UHFFFAOYSA-N 1 2 367.472 2.857 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn(C)n1 ZINC000924706613 1017435558 /nfs/dbraw/zinc/43/55/58/1017435558.db2.gz QNJOXUJWORENEU-LBPRGKRZSA-N 1 2 369.391 2.521 20 10 FFCDLO CCOc1cccc(N2CC[NH+](Cc3cc(F)cc(C(C)=O)c3O)CC2)n1 ZINC000750825717 1022593593 /nfs/dbraw/zinc/59/35/93/1022593593.db2.gz JCOZIKPEERDMQC-UHFFFAOYSA-N 1 2 373.428 2.850 20 10 FFCDLO COc1cc(C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)c(O)cc1C ZINC000159930551 1022844832 /nfs/dbraw/zinc/84/48/32/1022844832.db2.gz UVSSLRMAZUWSNM-UHFFFAOYSA-N 1 2 358.438 2.877 20 10 FFCDLO Cn1ncc2c1C[N@H+](Cc1c(O)cccc1F)C[C@@H]2COc1cccnc1 ZINC001137834736 1033171212 /nfs/dbraw/zinc/17/12/12/1033171212.db2.gz RELAAPUDQQILOP-CQSZACIVSA-N 1 2 368.412 2.838 20 10 FFCDLO Cn1ncc2c1C[N@@H+](Cc1c(O)cccc1F)C[C@@H]2COc1cccnc1 ZINC001137834736 1033171225 /nfs/dbraw/zinc/17/12/25/1033171225.db2.gz RELAAPUDQQILOP-CQSZACIVSA-N 1 2 368.412 2.838 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001137834870 1033171719 /nfs/dbraw/zinc/17/17/19/1033171719.db2.gz WSOAQOOQOMTWCC-DFQSSKMNSA-N 1 2 358.413 2.875 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001137834870 1033171726 /nfs/dbraw/zinc/17/17/26/1033171726.db2.gz WSOAQOOQOMTWCC-DFQSSKMNSA-N 1 2 358.413 2.875 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001137835384 1033173232 /nfs/dbraw/zinc/17/32/32/1033173232.db2.gz GGYJQMCZINMBQT-DKSSEZFCSA-N 1 2 358.413 2.985 20 10 FFCDLO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(C)n1-c1ccccc1C ZINC000759112192 1024474549 /nfs/dbraw/zinc/47/45/49/1024474549.db2.gz ZICDQQLCKFJTSV-IBGZPJMESA-N 1 2 367.493 2.949 20 10 FFCDLO OC1CCN(c2ccc(CNc3cc(NC4CC4)[nH+]cn3)cc2F)CC1 ZINC000840245544 1027017642 /nfs/dbraw/zinc/01/76/42/1027017642.db2.gz AZLAOUMBOWTDJI-UHFFFAOYSA-N 1 2 357.433 2.763 20 10 FFCDLO OC1CCN(c2ccc(CNc3cc(NC4CC4)nc[nH+]3)cc2F)CC1 ZINC000840245544 1027017650 /nfs/dbraw/zinc/01/76/50/1027017650.db2.gz AZLAOUMBOWTDJI-UHFFFAOYSA-N 1 2 357.433 2.763 20 10 FFCDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(N(C)C)c(F)c3)[nH+]cn2)C1 ZINC000840251977 1027020841 /nfs/dbraw/zinc/02/08/41/1027020841.db2.gz SHXBJTITDATUNC-ZFWWWQNUSA-N 1 2 359.449 2.501 20 10 FFCDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(N(C)C)c(F)c3)nc[nH+]2)C1 ZINC000840251977 1027020844 /nfs/dbraw/zinc/02/08/44/1027020844.db2.gz SHXBJTITDATUNC-ZFWWWQNUSA-N 1 2 359.449 2.501 20 10 FFCDLO COc1ccc(N2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)c(OC)c1 ZINC001534597446 1069664801 /nfs/dbraw/zinc/66/48/01/1069664801.db2.gz XRAPPJNMTQNDRR-UHFFFAOYSA-N 1 2 369.465 2.986 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001203657866 1030810724 /nfs/dbraw/zinc/81/07/24/1030810724.db2.gz HOAJSULLPIRPJO-IBGZPJMESA-N 1 2 374.872 2.707 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001203657866 1030810739 /nfs/dbraw/zinc/81/07/39/1030810739.db2.gz HOAJSULLPIRPJO-IBGZPJMESA-N 1 2 374.872 2.707 20 10 FFCDLO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c1 ZINC001203669407 1030819272 /nfs/dbraw/zinc/81/92/72/1030819272.db2.gz BAHXCJOVSCCEMZ-CQSZACIVSA-N 1 2 354.422 2.792 20 10 FFCDLO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c1 ZINC001203669407 1030819286 /nfs/dbraw/zinc/81/92/86/1030819286.db2.gz BAHXCJOVSCCEMZ-CQSZACIVSA-N 1 2 354.422 2.792 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(F)c1O ZINC001138123751 1033799777 /nfs/dbraw/zinc/79/97/77/1033799777.db2.gz JZDHENIKXBZMCZ-HOTGVXAUSA-N 1 2 366.433 2.742 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(F)c1O ZINC001138123751 1033799791 /nfs/dbraw/zinc/79/97/91/1033799791.db2.gz JZDHENIKXBZMCZ-HOTGVXAUSA-N 1 2 366.433 2.742 20 10 FFCDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139126821 1034956739 /nfs/dbraw/zinc/95/67/39/1034956739.db2.gz REOBXKSXOFCPCH-OAHLLOKOSA-N 1 2 372.465 2.887 20 10 FFCDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139126821 1034956744 /nfs/dbraw/zinc/95/67/44/1034956744.db2.gz REOBXKSXOFCPCH-OAHLLOKOSA-N 1 2 372.465 2.887 20 10 FFCDLO COc1cc2c(cn1)CC[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139129592 1034958576 /nfs/dbraw/zinc/95/85/76/1034958576.db2.gz CEOJRPSZQJBYJT-UHFFFAOYSA-N 1 2 352.390 2.769 20 10 FFCDLO COc1cc2c(cn1)CC[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139129592 1034958580 /nfs/dbraw/zinc/95/85/80/1034958580.db2.gz CEOJRPSZQJBYJT-UHFFFAOYSA-N 1 2 352.390 2.769 20 10 FFCDLO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000834518306 1035403000 /nfs/dbraw/zinc/40/30/00/1035403000.db2.gz JMTOBNXPBOADFV-UHFFFAOYSA-N 1 2 372.469 2.649 20 10 FFCDLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195833 1035495307 /nfs/dbraw/zinc/49/53/07/1035495307.db2.gz ZDZHBHOSIAZSCB-UHFFFAOYSA-N 1 2 371.872 2.851 20 10 FFCDLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195833 1035495308 /nfs/dbraw/zinc/49/53/08/1035495308.db2.gz ZDZHBHOSIAZSCB-UHFFFAOYSA-N 1 2 371.872 2.851 20 10 FFCDLO Oc1cc(F)cc(F)c1CN1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001140580671 1035659139 /nfs/dbraw/zinc/65/91/39/1035659139.db2.gz IPFYRTOWKZKMHB-UHFFFAOYSA-N 1 2 362.424 2.869 20 10 FFCDLO O=C1N(Cc2ncccn2)CC[C@]12CCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277231495 1035670560 /nfs/dbraw/zinc/67/05/60/1035670560.db2.gz CLRIZWXOISMAKG-LJQANCHMSA-N 1 2 372.856 2.603 20 10 FFCDLO O=C1N(Cc2ncccn2)CC[C@]12CCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277231495 1035670576 /nfs/dbraw/zinc/67/05/76/1035670576.db2.gz CLRIZWXOISMAKG-LJQANCHMSA-N 1 2 372.856 2.603 20 10 FFCDLO CC(C)=CCN1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232118 1035677299 /nfs/dbraw/zinc/67/72/99/1035677299.db2.gz KVFOUDGHBBAPQZ-LJQANCHMSA-N 1 2 364.873 2.815 20 10 FFCDLO CC(C)=CCN1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232118 1035677306 /nfs/dbraw/zinc/67/73/06/1035677306.db2.gz KVFOUDGHBBAPQZ-LJQANCHMSA-N 1 2 364.873 2.815 20 10 FFCDLO COC(=O)c1cccc2n[nH]c(C[N@@H+]3CCCc4cc(O)c(O)cc4C3)c21 ZINC001232439240 1035687365 /nfs/dbraw/zinc/68/73/65/1035687365.db2.gz IIKIDENJIVCPAW-UHFFFAOYSA-N 1 2 367.405 2.709 20 10 FFCDLO COC(=O)c1cccc2n[nH]c(C[N@H+]3CCCc4cc(O)c(O)cc4C3)c21 ZINC001232439240 1035687368 /nfs/dbraw/zinc/68/73/68/1035687368.db2.gz IIKIDENJIVCPAW-UHFFFAOYSA-N 1 2 367.405 2.709 20 10 FFCDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)[nH]1 ZINC001140689976 1035901247 /nfs/dbraw/zinc/90/12/47/1035901247.db2.gz XZFMYJOWJGALDX-UHFFFAOYSA-N 1 2 357.454 2.831 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001232838363 1036095278 /nfs/dbraw/zinc/09/52/78/1036095278.db2.gz IWHODBUCEYHIFV-UHFFFAOYSA-N 1 2 356.470 2.597 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001232838363 1036095298 /nfs/dbraw/zinc/09/52/98/1036095298.db2.gz IWHODBUCEYHIFV-UHFFFAOYSA-N 1 2 356.470 2.597 20 10 FFCDLO Cc1cc2ccccc2nc1N1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233017729 1036256495 /nfs/dbraw/zinc/25/64/95/1036256495.db2.gz ZPRDEJGQZZTGMR-UHFFFAOYSA-N 1 2 365.433 2.982 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078373 1036326649 /nfs/dbraw/zinc/32/66/49/1036326649.db2.gz SZYRKDCFERVEDB-CYBMUJFWSA-N 1 2 356.413 2.566 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078373 1036326666 /nfs/dbraw/zinc/32/66/66/1036326666.db2.gz SZYRKDCFERVEDB-CYBMUJFWSA-N 1 2 356.413 2.566 20 10 FFCDLO COc1ccnc(N2CC[NH+](Cc3ccc(N(C)C)cc3Cl)CC2)n1 ZINC001140926088 1036464703 /nfs/dbraw/zinc/46/47/03/1036464703.db2.gz ZFMBADUVMQUQPP-UHFFFAOYSA-N 1 2 361.877 2.527 20 10 FFCDLO O=C1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCN1C1CCCC1 ZINC001141076381 1036927416 /nfs/dbraw/zinc/92/74/16/1036927416.db2.gz QFJNSPMMQDTZMY-UHFFFAOYSA-N 1 2 353.510 2.972 20 10 FFCDLO O=C1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCN1C1CCCC1 ZINC001141076381 1036927434 /nfs/dbraw/zinc/92/74/34/1036927434.db2.gz QFJNSPMMQDTZMY-UHFFFAOYSA-N 1 2 353.510 2.972 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001235295717 1037457220 /nfs/dbraw/zinc/45/72/20/1037457220.db2.gz FEBFCMXOJOEKQS-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001235295717 1037457229 /nfs/dbraw/zinc/45/72/29/1037457229.db2.gz FEBFCMXOJOEKQS-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO CN(C)C(=O)NC1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235306016 1037464889 /nfs/dbraw/zinc/46/48/89/1037464889.db2.gz BQNBMLSXMXAPTA-UHFFFAOYSA-N 1 2 374.254 2.529 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001235307003 1037465480 /nfs/dbraw/zinc/46/54/80/1037465480.db2.gz JUQVIOQGPAXZPG-GFCCVEGCSA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001235307003 1037465490 /nfs/dbraw/zinc/46/54/90/1037465490.db2.gz JUQVIOQGPAXZPG-GFCCVEGCSA-N 1 2 368.206 2.737 20 10 FFCDLO CC(C)CN1C[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277509914 1037549822 /nfs/dbraw/zinc/54/98/22/1037549822.db2.gz JTMVVJBXLXLDTR-SFHVURJKSA-N 1 2 370.852 2.644 20 10 FFCDLO CC(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277509914 1037549829 /nfs/dbraw/zinc/54/98/29/1037549829.db2.gz JTMVVJBXLXLDTR-SFHVURJKSA-N 1 2 370.852 2.644 20 10 FFCDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231845396 1037944207 /nfs/dbraw/zinc/94/42/07/1037944207.db2.gz YBQBHKLEOQDDFS-SFHVURJKSA-N 1 2 356.470 2.756 20 10 FFCDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231845396 1037944219 /nfs/dbraw/zinc/94/42/19/1037944219.db2.gz YBQBHKLEOQDDFS-SFHVURJKSA-N 1 2 356.470 2.756 20 10 FFCDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(N)cc1 ZINC001236302657 1038032871 /nfs/dbraw/zinc/03/28/71/1038032871.db2.gz AHDRRDDBKIZWBP-HXUWFJFHSA-N 1 2 353.466 2.518 20 10 FFCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(N)cc1 ZINC001236302657 1038032892 /nfs/dbraw/zinc/03/28/92/1038032892.db2.gz AHDRRDDBKIZWBP-HXUWFJFHSA-N 1 2 353.466 2.518 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255682247 1038126663 /nfs/dbraw/zinc/12/66/63/1038126663.db2.gz FQOXFYPHCVPFFV-XQQFMLRXSA-N 1 2 361.360 2.893 20 10 FFCDLO CCOC(=O)c1cccc(C[NH+]2CCN(c3ccc(OCC)cc3)CC2)n1 ZINC001236651410 1038176062 /nfs/dbraw/zinc/17/60/62/1038176062.db2.gz GKDWEPKHQRDXMC-UHFFFAOYSA-N 1 2 369.465 2.979 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c(O)c1Cl ZINC001236808683 1038282008 /nfs/dbraw/zinc/28/20/08/1038282008.db2.gz ICKNQAIPEINOHD-GFCCVEGCSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c(O)c1Cl ZINC001236808683 1038282019 /nfs/dbraw/zinc/28/20/19/1038282019.db2.gz ICKNQAIPEINOHD-GFCCVEGCSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(OC)c(Cl)c3O)C2)n1 ZINC001236818475 1038289876 /nfs/dbraw/zinc/28/98/76/1038289876.db2.gz NBRHYMMFEZOGKF-LBPRGKRZSA-N 1 2 365.817 2.506 20 10 FFCDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1cc2ccccc2cc1O ZINC001236839138 1038301828 /nfs/dbraw/zinc/30/18/28/1038301828.db2.gz DXEKCYIGOMAAMG-UHFFFAOYSA-N 1 2 359.422 2.864 20 10 FFCDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1cc2ccccc2cc1O ZINC001236839138 1038301835 /nfs/dbraw/zinc/30/18/35/1038301835.db2.gz DXEKCYIGOMAAMG-UHFFFAOYSA-N 1 2 359.422 2.864 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc(C)c(OC)nc3OC)CC2)cc1 ZINC001250325051 1041166432 /nfs/dbraw/zinc/16/64/32/1041166432.db2.gz DBPOFJYVJGLJRW-UHFFFAOYSA-N 1 2 357.454 2.738 20 10 FFCDLO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001261738551 1041390829 /nfs/dbraw/zinc/39/08/29/1041390829.db2.gz UYOFUDFPRQLIBF-OAHLLOKOSA-N 1 2 372.469 2.833 20 10 FFCDLO COc1ccccc1C[N@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237208114 1043053711 /nfs/dbraw/zinc/05/37/11/1043053711.db2.gz ZSQBFDADTIARTM-UHFFFAOYSA-N 1 2 374.506 2.562 20 10 FFCDLO COc1ccccc1C[N@@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237208114 1043053720 /nfs/dbraw/zinc/05/37/20/1043053720.db2.gz ZSQBFDADTIARTM-UHFFFAOYSA-N 1 2 374.506 2.562 20 10 FFCDLO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)n1 ZINC001237801294 1043365709 /nfs/dbraw/zinc/36/57/09/1043365709.db2.gz HBXGUGQNQVBFNA-LBPRGKRZSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)n1 ZINC001237801294 1043365720 /nfs/dbraw/zinc/36/57/20/1043365720.db2.gz HBXGUGQNQVBFNA-LBPRGKRZSA-N 1 2 353.781 2.637 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1)c1ccncc1 ZINC001237800924 1043366157 /nfs/dbraw/zinc/36/61/57/1043366157.db2.gz DWPVDXOOSQXSNO-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)nc1 ZINC001237939798 1043446698 /nfs/dbraw/zinc/44/66/98/1043446698.db2.gz GDQDDNXZRGVJSH-UHFFFAOYSA-N 1 2 351.809 2.911 20 10 FFCDLO CO[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001237943731 1043448736 /nfs/dbraw/zinc/44/87/36/1043448736.db2.gz PRXUDFYHMGOPOO-DZGCQCFKSA-N 1 2 374.840 2.909 20 10 FFCDLO CO[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001237943731 1043448743 /nfs/dbraw/zinc/44/87/43/1043448743.db2.gz PRXUDFYHMGOPOO-DZGCQCFKSA-N 1 2 374.840 2.909 20 10 FFCDLO COc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)Nc2onc(C)c2C)c1O ZINC001279975795 1044018945 /nfs/dbraw/zinc/01/89/45/1044018945.db2.gz QATMFPPYMIUDQW-IFXJQAMLSA-N 1 2 357.410 2.609 20 10 FFCDLO COc1cccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)Nc2onc(C)c2C)c1O ZINC001279975795 1044018961 /nfs/dbraw/zinc/01/89/61/1044018961.db2.gz QATMFPPYMIUDQW-IFXJQAMLSA-N 1 2 357.410 2.609 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N([C@H](C)C3CC3)C3CC3)CC2)cc1 ZINC001319715957 1045249783 /nfs/dbraw/zinc/24/97/83/1045249783.db2.gz YXGVMASVBKNZAL-QGZVFWFLSA-N 1 2 371.525 2.997 20 10 FFCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC001320225860 1045371542 /nfs/dbraw/zinc/37/15/42/1045371542.db2.gz HDVCIJNJOAQIEH-SFHVURJKSA-N 1 2 367.493 2.912 20 10 FFCDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1)C(F)(F)F ZINC001308793472 1052499903 /nfs/dbraw/zinc/49/99/03/1052499903.db2.gz ALAOFLRESHMBAC-JTQLQIEISA-N 1 2 350.768 2.936 20 10 FFCDLO CC[C@H](C(=O)NCCCSc1nccs1)[N@@H+]1CCO[C@H](CC)C1 ZINC001542956219 1071346437 /nfs/dbraw/zinc/34/64/37/1071346437.db2.gz NWFQUXXPZJMCNM-ZIAGYGMSSA-N 1 2 357.545 2.631 20 10 FFCDLO CC[C@H](C(=O)NCCCSc1nccs1)[N@H+]1CCO[C@H](CC)C1 ZINC001542956219 1071346449 /nfs/dbraw/zinc/34/64/49/1071346449.db2.gz NWFQUXXPZJMCNM-ZIAGYGMSSA-N 1 2 357.545 2.631 20 10 FFCDLO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347331358 1053853720 /nfs/dbraw/zinc/85/37/20/1053853720.db2.gz YWELHPIFMKUFJR-QGZVFWFLSA-N 1 2 350.526 2.788 20 10 FFCDLO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347331358 1053853731 /nfs/dbraw/zinc/85/37/31/1053853731.db2.gz YWELHPIFMKUFJR-QGZVFWFLSA-N 1 2 350.526 2.788 20 10 FFCDLO C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)n1cc[nH+]c1 ZINC001337863180 1055069301 /nfs/dbraw/zinc/06/93/01/1055069301.db2.gz ZPUOKCVQZSHCCX-KFWWJZLASA-N 1 2 360.433 2.513 20 10 FFCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000847363318 1055603389 /nfs/dbraw/zinc/60/33/89/1055603389.db2.gz XQNWHOOJTLBNAL-RBSFLKMASA-N 1 2 374.460 2.657 20 10 FFCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000847363318 1055603395 /nfs/dbraw/zinc/60/33/95/1055603395.db2.gz XQNWHOOJTLBNAL-RBSFLKMASA-N 1 2 374.460 2.657 20 10 FFCDLO NC(=O)N=Nc1ccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC001455895723 1059944968 /nfs/dbraw/zinc/94/49/68/1059944968.db2.gz PWIQPNLLXGDIHU-UHFFFAOYSA-N 1 2 352.398 2.961 20 10 FFCDLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001474356654 1065500726 /nfs/dbraw/zinc/50/07/26/1065500726.db2.gz PLVXIQKASWMUJS-HNNXBMFYSA-N 1 2 365.905 2.564 20 10 FFCDLO COC(=O)N1CC(C)([NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC001560754733 1076297202 /nfs/dbraw/zinc/29/72/02/1076297202.db2.gz QGQHQVJPSIZCSP-UHFFFAOYSA-N 1 2 363.639 2.738 20 10 FFCDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001587150958 1079746137 /nfs/dbraw/zinc/74/61/37/1079746137.db2.gz MOQZMVCUEIIGFD-ZDUSSCGKSA-N 1 2 364.396 2.647 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000153612166 508607592 /nfs/dbraw/zinc/60/75/92/508607592.db2.gz VGKSBGIMDQASNH-UHFFFAOYSA-N 1 2 368.481 2.672 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCCN(C(N)=O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000153612166 508607596 /nfs/dbraw/zinc/60/75/96/508607596.db2.gz VGKSBGIMDQASNH-UHFFFAOYSA-N 1 2 368.481 2.672 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000264464934 509543528 /nfs/dbraw/zinc/54/35/28/509543528.db2.gz SKSJSWWCWKVIAM-OAHLLOKOSA-N 1 2 372.488 2.599 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)c1O ZINC000184681534 510459595 /nfs/dbraw/zinc/45/95/95/510459595.db2.gz OUJXUGFKDJBGGK-UHFFFAOYSA-N 1 2 365.861 2.977 20 10 FFCDLO COc1cc(Cl)cc(CN2CC[NH+](Cc3c(C)noc3C)CC2)c1O ZINC000184681534 510459604 /nfs/dbraw/zinc/45/96/04/510459604.db2.gz OUJXUGFKDJBGGK-UHFFFAOYSA-N 1 2 365.861 2.977 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCc1[nH+]ccn1C ZINC000266750668 510764510 /nfs/dbraw/zinc/76/45/10/510764510.db2.gz CCWRHVHPKZZWCX-UHFFFAOYSA-N 1 2 367.247 2.620 20 10 FFCDLO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000276656404 510944268 /nfs/dbraw/zinc/94/42/68/510944268.db2.gz XKUDTZCSVNNRRF-CJNGLKHVSA-N 1 2 366.339 2.690 20 10 FFCDLO C[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000276656404 510944272 /nfs/dbraw/zinc/94/42/72/510944272.db2.gz XKUDTZCSVNNRRF-CJNGLKHVSA-N 1 2 366.339 2.690 20 10 FFCDLO C[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000271848176 511346055 /nfs/dbraw/zinc/34/60/55/511346055.db2.gz VZKRWLMJZPRCBX-QGZVFWFLSA-N 1 2 363.465 2.955 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000509412317 515164705 /nfs/dbraw/zinc/16/47/05/515164705.db2.gz ZBTYSHANGHIVSP-FQEVSTJZSA-N 1 2 355.482 2.604 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000509412317 515164715 /nfs/dbraw/zinc/16/47/15/515164715.db2.gz ZBTYSHANGHIVSP-FQEVSTJZSA-N 1 2 355.482 2.604 20 10 FFCDLO COc1ccc(N2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)cc1F ZINC000084866922 728426881 /nfs/dbraw/zinc/42/68/81/728426881.db2.gz OFWNSTLCPYPHPS-VWLOTQADSA-N 1 2 362.470 2.764 20 10 FFCDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122109101 728643915 /nfs/dbraw/zinc/64/39/15/728643915.db2.gz YPCPPBZCEHCQQZ-AWEZNQCLSA-N 1 2 351.466 2.650 20 10 FFCDLO C[C@@H](O)CC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000133208940 728726462 /nfs/dbraw/zinc/72/64/62/728726462.db2.gz LHLCYUXJCIDOII-SSDOTTSWSA-N 1 2 353.054 2.778 20 10 FFCDLO COc1cc(C[N@H+](CCS(C)(=O)=O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000164605775 728967205 /nfs/dbraw/zinc/96/72/05/728967205.db2.gz VVSLQPQQQSWJMN-UHFFFAOYSA-N 1 2 355.500 2.707 20 10 FFCDLO COc1cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000164605775 728967208 /nfs/dbraw/zinc/96/72/08/728967208.db2.gz VVSLQPQQQSWJMN-UHFFFAOYSA-N 1 2 355.500 2.707 20 10 FFCDLO Cc1nsc(N2CCC[N@@H+](Cc3cc(F)c(N(C)C)cc3F)CC2)n1 ZINC000862249505 730681949 /nfs/dbraw/zinc/68/19/49/730681949.db2.gz RNLXCKGVWKDJMZ-UHFFFAOYSA-N 1 2 367.469 2.903 20 10 FFCDLO Cc1nsc(N2CCC[N@H+](Cc3cc(F)c(N(C)C)cc3F)CC2)n1 ZINC000862249505 730681951 /nfs/dbraw/zinc/68/19/51/730681951.db2.gz RNLXCKGVWKDJMZ-UHFFFAOYSA-N 1 2 367.469 2.903 20 10 FFCDLO C[C@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc(N(C)C)cc1 ZINC000922054804 738084519 /nfs/dbraw/zinc/08/45/19/738084519.db2.gz LRNYFQCAZBAIHR-ZDUSSCGKSA-N 1 2 361.515 2.831 20 10 FFCDLO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883113654 733336350 /nfs/dbraw/zinc/33/63/50/733336350.db2.gz ZKCCNAPMPXXPMI-YPMHNXCESA-N 1 2 364.255 2.541 20 10 FFCDLO COC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@H]1CCCOC1 ZINC000886355506 733776547 /nfs/dbraw/zinc/77/65/47/733776547.db2.gz JPGZILVVPULBJV-HZMBPMFUSA-N 1 2 362.239 2.825 20 10 FFCDLO CCOCCO[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894093847 734800438 /nfs/dbraw/zinc/80/04/38/734800438.db2.gz IUOLOBCYKGCUAF-ZDUSSCGKSA-N 1 2 362.239 2.921 20 10 FFCDLO CCOCCO[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894093847 734800441 /nfs/dbraw/zinc/80/04/41/734800441.db2.gz IUOLOBCYKGCUAF-ZDUSSCGKSA-N 1 2 362.239 2.921 20 10 FFCDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894783574 734916016 /nfs/dbraw/zinc/91/60/16/734916016.db2.gz VYGSIBVEAMILAS-GFCCVEGCSA-N 1 2 350.228 2.512 20 10 FFCDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000894783574 734916019 /nfs/dbraw/zinc/91/60/19/734916019.db2.gz VYGSIBVEAMILAS-GFCCVEGCSA-N 1 2 350.228 2.512 20 10 FFCDLO CC(=O)c1cc(Cl)cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1O ZINC000750032494 735767447 /nfs/dbraw/zinc/76/74/47/735767447.db2.gz ARZGXDDQYLZECR-MRXNPFEDSA-N 1 2 352.862 2.545 20 10 FFCDLO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756481981 736335238 /nfs/dbraw/zinc/33/52/38/736335238.db2.gz ZEVONWHCGXCKAD-LBPRGKRZSA-N 1 2 370.421 2.608 20 10 FFCDLO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c1O ZINC000814180459 741801234 /nfs/dbraw/zinc/80/12/34/741801234.db2.gz OOKNECCOWGZIAQ-LLVKDONJSA-N 1 2 358.232 2.689 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c1O ZINC000814180459 741801239 /nfs/dbraw/zinc/80/12/39/741801239.db2.gz OOKNECCOWGZIAQ-LLVKDONJSA-N 1 2 358.232 2.689 20 10 FFCDLO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)c(F)cc1O ZINC000774384868 737985579 /nfs/dbraw/zinc/98/55/79/737985579.db2.gz REMBRTNQDKZCBX-LLVKDONJSA-N 1 2 373.266 2.809 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000793232579 739755779 /nfs/dbraw/zinc/75/57/79/739755779.db2.gz YUUXIWJIHBVGPC-MLGOLLRUSA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000793232579 739755781 /nfs/dbraw/zinc/75/57/81/739755781.db2.gz YUUXIWJIHBVGPC-MLGOLLRUSA-N 1 2 356.260 2.843 20 10 FFCDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000795633526 740046680 /nfs/dbraw/zinc/04/66/80/740046680.db2.gz BJAUNTCQXXPKAT-ZDUSSCGKSA-N 1 2 359.407 2.562 20 10 FFCDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000795633526 740046686 /nfs/dbraw/zinc/04/66/86/740046686.db2.gz BJAUNTCQXXPKAT-ZDUSSCGKSA-N 1 2 359.407 2.562 20 10 FFCDLO CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(Cl)c1O ZINC000806139992 741042872 /nfs/dbraw/zinc/04/28/72/741042872.db2.gz UBYKNALRJORNOI-INIZCTEOSA-N 1 2 353.894 2.639 20 10 FFCDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000816511307 742037008 /nfs/dbraw/zinc/03/70/08/742037008.db2.gz TZYOZVIPKXVIAR-LLVKDONJSA-N 1 2 354.731 2.780 20 10 FFCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000816511307 742037013 /nfs/dbraw/zinc/03/70/13/742037013.db2.gz TZYOZVIPKXVIAR-LLVKDONJSA-N 1 2 354.731 2.780 20 10 FFCDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cc(C)cc(Br)c2O)C1 ZINC000816635030 742049337 /nfs/dbraw/zinc/04/93/37/742049337.db2.gz AGVNJQDYGAUFNP-ZDUSSCGKSA-N 1 2 360.223 2.796 20 10 FFCDLO COc1ccc(O)c([C@H](C)NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000821064899 742582832 /nfs/dbraw/zinc/58/28/32/742582832.db2.gz INSRADCCFPTXKA-HZMBPMFUSA-N 1 2 357.332 2.968 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000824576819 743110644 /nfs/dbraw/zinc/11/06/44/743110644.db2.gz UMYBXVOPXJSQFD-GFCCVEGCSA-N 1 2 357.248 2.736 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000824576819 743110647 /nfs/dbraw/zinc/11/06/47/743110647.db2.gz UMYBXVOPXJSQFD-GFCCVEGCSA-N 1 2 357.248 2.736 20 10 FFCDLO COC(=O)c1csc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000827468042 743583117 /nfs/dbraw/zinc/58/31/17/743583117.db2.gz JYWJGLSEFJHDBN-UHFFFAOYSA-N 1 2 361.467 2.651 20 10 FFCDLO COC(=O)c1csc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000827468042 743583120 /nfs/dbraw/zinc/58/31/20/743583120.db2.gz JYWJGLSEFJHDBN-UHFFFAOYSA-N 1 2 361.467 2.651 20 10 FFCDLO CC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(Cl)c1O ZINC000834891153 745920742 /nfs/dbraw/zinc/92/07/42/745920742.db2.gz QICWRNQPBCKICU-OAHLLOKOSA-N 1 2 361.891 2.680 20 10 FFCDLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cc(Br)ccc1O ZINC000848556862 748960303 /nfs/dbraw/zinc/96/03/03/748960303.db2.gz FICKLCKDIVLPEB-TVQRCGJNSA-N 1 2 367.247 2.975 20 10 FFCDLO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000026634099 972336408 /nfs/dbraw/zinc/33/64/08/972336408.db2.gz FZHDXNBEDRFMDG-UHFFFAOYSA-N 1 2 369.465 2.748 20 10 FFCDLO O=C(NCc1cccc(Cl)c1O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000890760127 960321754 /nfs/dbraw/zinc/32/17/54/960321754.db2.gz JAIQHYUBDOXFBT-GOSISDBHSA-N 1 2 374.868 2.860 20 10 FFCDLO COC(=O)C[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000176134199 965306948 /nfs/dbraw/zinc/30/69/48/965306948.db2.gz LAXFSRIKXLOMTA-CYBMUJFWSA-N 1 2 359.422 2.781 20 10 FFCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000176134199 965306960 /nfs/dbraw/zinc/30/69/60/965306960.db2.gz LAXFSRIKXLOMTA-CYBMUJFWSA-N 1 2 359.422 2.781 20 10 FFCDLO Oc1ccc(C[C@H](O)c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1O ZINC001211665288 974044557 /nfs/dbraw/zinc/04/45/57/974044557.db2.gz NKUMYDQDCVVOAM-KRWDZBQOSA-N 1 2 364.361 2.610 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)cc1 ZINC000916984596 990085701 /nfs/dbraw/zinc/08/57/01/990085701.db2.gz KEYBLWUVYYYPMP-UHFFFAOYSA-N 1 2 357.498 2.751 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C(C)C)C3CCCC3)CC2)cc1 ZINC000916984883 990086253 /nfs/dbraw/zinc/08/62/53/990086253.db2.gz QCDVZCUUXRMRLY-UHFFFAOYSA-N 1 2 359.514 2.997 20 10 FFCDLO COc1cc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000920089933 990789257 /nfs/dbraw/zinc/78/92/57/990789257.db2.gz YDZTVMAJPHGHMO-UHFFFAOYSA-N 1 2 371.481 2.518 20 10 FFCDLO COc1cc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000920089933 990789262 /nfs/dbraw/zinc/78/92/62/990789262.db2.gz YDZTVMAJPHGHMO-UHFFFAOYSA-N 1 2 371.481 2.518 20 10 FFCDLO CN(C)c1noc(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000809642822 994563864 /nfs/dbraw/zinc/56/38/64/994563864.db2.gz OCMZSXQHOHGSPG-UHFFFAOYSA-N 1 2 363.465 2.988 20 10 FFCDLO COc1ccc(N2CCC[N@H+](Cc3nnc4n3CCCCC4)CC2)cc1 ZINC000728172392 996171525 /nfs/dbraw/zinc/17/15/25/996171525.db2.gz GNLXLZAFQOFEHJ-UHFFFAOYSA-N 1 2 355.486 2.725 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](Cc3nnc4n3CCCCC4)CC2)cc1 ZINC000728172392 996171527 /nfs/dbraw/zinc/17/15/27/996171527.db2.gz GNLXLZAFQOFEHJ-UHFFFAOYSA-N 1 2 355.486 2.725 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1cccc(C)c1 ZINC001136875053 996936574 /nfs/dbraw/zinc/93/65/74/996936574.db2.gz WWZUQOFDZGJWBF-DYESRHJHSA-N 1 2 368.525 2.767 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c(C)n1-c1cccc(C)c1 ZINC001136875053 996936587 /nfs/dbraw/zinc/93/65/87/996936587.db2.gz WWZUQOFDZGJWBF-DYESRHJHSA-N 1 2 368.525 2.767 20 10 FFCDLO C[N@H+](Cc1nc(C(F)(F)F)c[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001137016454 997302493 /nfs/dbraw/zinc/30/24/93/997302493.db2.gz YDFCMRXHSOGDLW-UHFFFAOYSA-N 1 2 354.376 2.897 20 10 FFCDLO C[N@@H+](Cc1nc(C(F)(F)F)c[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001137016454 997302506 /nfs/dbraw/zinc/30/25/06/997302506.db2.gz YDFCMRXHSOGDLW-UHFFFAOYSA-N 1 2 354.376 2.897 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001144308033 998304986 /nfs/dbraw/zinc/30/49/86/998304986.db2.gz HPCVUIILMRMVGN-NSHDSACASA-N 1 2 368.206 2.737 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](OCCO)C2)c(C)n1-c1ccc(F)cc1 ZINC000734485310 999296262 /nfs/dbraw/zinc/29/62/62/999296262.db2.gz HRAWGOXRDLIOCW-IBGZPJMESA-N 1 2 374.456 2.889 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](OCCO)C2)c(C)n1-c1ccc(F)cc1 ZINC000734485310 999296264 /nfs/dbraw/zinc/29/62/64/999296264.db2.gz HRAWGOXRDLIOCW-IBGZPJMESA-N 1 2 374.456 2.889 20 10 FFCDLO O=C1C[N@H+](Cc2cc3c(cc2O)CCC3)CCN1Cc1cccc(F)c1 ZINC000742155701 999762566 /nfs/dbraw/zinc/76/25/66/999762566.db2.gz QYXVEWHUBMGOPR-UHFFFAOYSA-N 1 2 354.425 2.864 20 10 FFCDLO O=C1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCN1Cc1cccc(F)c1 ZINC000742155701 999762568 /nfs/dbraw/zinc/76/25/68/999762568.db2.gz QYXVEWHUBMGOPR-UHFFFAOYSA-N 1 2 354.425 2.864 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3c(C)oc(C)c3C)CC2)cc1 ZINC000742926836 999793788 /nfs/dbraw/zinc/79/37/88/999793788.db2.gz BVXUVNNXYSKRTL-UHFFFAOYSA-N 1 2 371.481 2.765 20 10 FFCDLO COc1ccc(N2CCC(NC(=O)c3cccc4[nH+]ccn43)CC2)cc1 ZINC000770078831 1000669679 /nfs/dbraw/zinc/66/96/79/1000669679.db2.gz YEZCFAFOXNTVRU-UHFFFAOYSA-N 1 2 350.422 2.742 20 10 FFCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000770466855 1000797513 /nfs/dbraw/zinc/79/75/13/1000797513.db2.gz TXADSRGQBPLXPK-UHFFFAOYSA-N 1 2 371.525 2.890 20 10 FFCDLO CN(C)c1ccc(C[N@H+](CC(=O)NCC(=O)c2ccccc2)C2CC2)cc1 ZINC000771790662 1001204535 /nfs/dbraw/zinc/20/45/35/1001204535.db2.gz FMIXLENIIJECRO-UHFFFAOYSA-N 1 2 365.477 2.716 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](CC(=O)NCC(=O)c2ccccc2)C2CC2)cc1 ZINC000771790662 1001204538 /nfs/dbraw/zinc/20/45/38/1001204538.db2.gz FMIXLENIIJECRO-UHFFFAOYSA-N 1 2 365.477 2.716 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276192774 1016506264 /nfs/dbraw/zinc/50/62/64/1016506264.db2.gz SCWDUUQTSILJAY-DJJJIMSYSA-N 1 2 368.424 2.520 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276192774 1016506269 /nfs/dbraw/zinc/50/62/69/1016506269.db2.gz SCWDUUQTSILJAY-DJJJIMSYSA-N 1 2 368.424 2.520 20 10 FFCDLO c1ccc(OC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1 ZINC000792188635 1002937708 /nfs/dbraw/zinc/93/77/08/1002937708.db2.gz PPJLDQQIKMNEPN-QFIPXVFZSA-N 1 2 368.477 2.803 20 10 FFCDLO c1ccc(OC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1 ZINC000792188635 1002937716 /nfs/dbraw/zinc/93/77/16/1002937716.db2.gz PPJLDQQIKMNEPN-QFIPXVFZSA-N 1 2 368.477 2.803 20 10 FFCDLO COc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c(O)c1 ZINC000794388529 1003623734 /nfs/dbraw/zinc/62/37/34/1003623734.db2.gz WEJWHEXYFHJNKC-LJQANCHMSA-N 1 2 372.490 2.807 20 10 FFCDLO CN(C)c1ccc(-c2nc(C(=O)NCCc3[nH+]ccn3C)cs2)cc1 ZINC001193179248 1004408294 /nfs/dbraw/zinc/40/82/94/1004408294.db2.gz KYKLECVBZHWZML-UHFFFAOYSA-N 1 2 355.467 2.582 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1O ZINC000815140570 1006526578 /nfs/dbraw/zinc/52/65/78/1006526578.db2.gz BOLARGAKGLVRHT-IBGZPJMESA-N 1 2 370.424 2.667 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1O ZINC000815140570 1006526589 /nfs/dbraw/zinc/52/65/89/1006526589.db2.gz BOLARGAKGLVRHT-IBGZPJMESA-N 1 2 370.424 2.667 20 10 FFCDLO CC[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Cl)c1O ZINC000858490582 1008368304 /nfs/dbraw/zinc/36/83/04/1008368304.db2.gz ZOTJJFTYTKLOOQ-SWLSCSKDSA-N 1 2 372.860 2.803 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000858526569 1008375023 /nfs/dbraw/zinc/37/50/23/1008375023.db2.gz FIKJNDJKQIUFOX-AAEUAGOBSA-N 1 2 372.412 2.957 20 10 FFCDLO O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc2c[nH+]ccc2[nH]1 ZINC000822361189 1008602191 /nfs/dbraw/zinc/60/21/91/1008602191.db2.gz WQKRQTSWBKKYCU-UHFFFAOYSA-N 1 2 372.375 2.608 20 10 FFCDLO CCC(CC)[C@@H](C(=O)NCc1ccc2cccnc2c1O)[NH+]1CCOCC1 ZINC000862028013 1009669937 /nfs/dbraw/zinc/66/99/37/1009669937.db2.gz MXWUQUQGWLXIDQ-IBGZPJMESA-N 1 2 371.481 2.694 20 10 FFCDLO CC[N@H+](CCOCCO)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000800427463 1020306656 /nfs/dbraw/zinc/30/66/56/1020306656.db2.gz ZTMCIIYGGLIYNC-UHFFFAOYSA-N 1 2 362.445 2.747 20 10 FFCDLO CC[N@@H+](CCOCCO)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000800427463 1020306670 /nfs/dbraw/zinc/30/66/70/1020306670.db2.gz ZTMCIIYGGLIYNC-UHFFFAOYSA-N 1 2 362.445 2.747 20 10 FFCDLO CC[N@H+](CCOCCO)CC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000800427693 1020308372 /nfs/dbraw/zinc/30/83/72/1020308372.db2.gz ALSMSUDYTKGBQG-UHFFFAOYSA-N 1 2 358.482 2.916 20 10 FFCDLO CC[N@@H+](CCOCCO)CC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000800427693 1020308381 /nfs/dbraw/zinc/30/83/81/1020308381.db2.gz ALSMSUDYTKGBQG-UHFFFAOYSA-N 1 2 358.482 2.916 20 10 FFCDLO COc1ccc(N2CCC(NC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC000931575483 1020519369 /nfs/dbraw/zinc/51/93/69/1020519369.db2.gz DAARNLNQPAFLJE-UHFFFAOYSA-N 1 2 350.422 2.970 20 10 FFCDLO Cc1ccc(OCC(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000779002844 1022631803 /nfs/dbraw/zinc/63/18/03/1022631803.db2.gz PUVXQUHNYLHBCX-UHFFFAOYSA-N 1 2 358.413 2.563 20 10 FFCDLO COC(=O)C1(C2(O)CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)CCC1 ZINC001120072149 1023229533 /nfs/dbraw/zinc/22/95/33/1023229533.db2.gz RXVVAMFYKWUXTO-UHFFFAOYSA-N 1 2 371.836 2.855 20 10 FFCDLO C[N@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000078449704 1023841318 /nfs/dbraw/zinc/84/13/18/1023841318.db2.gz XJVJIUGMMUXPPK-UHFFFAOYSA-N 1 2 363.465 2.736 20 10 FFCDLO C[N@@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000078449704 1023841328 /nfs/dbraw/zinc/84/13/28/1023841328.db2.gz XJVJIUGMMUXPPK-UHFFFAOYSA-N 1 2 363.465 2.736 20 10 FFCDLO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(C[N@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000758294352 1024023895 /nfs/dbraw/zinc/02/38/95/1024023895.db2.gz FGALESYLHHMJNZ-VPTLXERWSA-N 1 2 372.513 2.889 20 10 FFCDLO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(C[N@@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000758294352 1024023910 /nfs/dbraw/zinc/02/39/10/1024023910.db2.gz FGALESYLHHMJNZ-VPTLXERWSA-N 1 2 372.513 2.889 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(N)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000081541293 1024850020 /nfs/dbraw/zinc/85/00/20/1024850020.db2.gz FKMOARFELLUFPT-UHFFFAOYSA-N 1 2 368.481 2.718 20 10 FFCDLO CN1CCOc2cc(C[NH+]3CCN(C(=O)c4ccccc4F)CC3)ccc21 ZINC001141143245 1025516875 /nfs/dbraw/zinc/51/68/75/1025516875.db2.gz QQVQVUMCBCKRDE-UHFFFAOYSA-N 1 2 369.440 2.612 20 10 FFCDLO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141146558 1025525042 /nfs/dbraw/zinc/52/50/42/1025525042.db2.gz YWCKMKZHXHWACE-QGZVFWFLSA-N 1 2 365.477 2.862 20 10 FFCDLO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141146558 1025525053 /nfs/dbraw/zinc/52/50/53/1025525053.db2.gz YWCKMKZHXHWACE-QGZVFWFLSA-N 1 2 365.477 2.862 20 10 FFCDLO Cn1nc(COCC2CC2)c2c1CC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142517696 1030567226 /nfs/dbraw/zinc/56/72/26/1030567226.db2.gz WXUIOZZGHUJNEJ-UHFFFAOYSA-N 1 2 363.408 2.889 20 10 FFCDLO CCOC(=O)C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1O ZINC001203561393 1030765888 /nfs/dbraw/zinc/76/58/88/1030765888.db2.gz ULBHYOVATJNLPW-UHFFFAOYSA-N 1 2 366.458 2.672 20 10 FFCDLO CCOC(=O)C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1O ZINC001203561393 1030765905 /nfs/dbraw/zinc/76/59/05/1030765905.db2.gz ULBHYOVATJNLPW-UHFFFAOYSA-N 1 2 366.458 2.672 20 10 FFCDLO CCOC(=O)c1ncn2c1C[N@H+](Cc1cccc(OCC)c1O)CCC2 ZINC001203602203 1030780771 /nfs/dbraw/zinc/78/07/71/1030780771.db2.gz IHSXDJLNSYDJNR-UHFFFAOYSA-N 1 2 359.426 2.570 20 10 FFCDLO CCOC(=O)c1ncn2c1C[N@@H+](Cc1cccc(OCC)c1O)CCC2 ZINC001203602203 1030780787 /nfs/dbraw/zinc/78/07/87/1030780787.db2.gz IHSXDJLNSYDJNR-UHFFFAOYSA-N 1 2 359.426 2.570 20 10 FFCDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664384 1030814030 /nfs/dbraw/zinc/81/40/30/1030814030.db2.gz CLBDWIYDMXIVRA-GXTWGEPZSA-N 1 2 363.845 2.998 20 10 FFCDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664384 1030814045 /nfs/dbraw/zinc/81/40/45/1030814045.db2.gz CLBDWIYDMXIVRA-GXTWGEPZSA-N 1 2 363.845 2.998 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)cc1O ZINC001203877651 1030951962 /nfs/dbraw/zinc/95/19/62/1030951962.db2.gz VLUSZYSAAZOUFM-UHFFFAOYSA-N 1 2 366.421 2.674 20 10 FFCDLO Oc1ccc(C[N@H+]2CCCn3cnc(COc4cccnc4)c3C2)cc1O ZINC001203877651 1030951977 /nfs/dbraw/zinc/95/19/77/1030951977.db2.gz VLUSZYSAAZOUFM-UHFFFAOYSA-N 1 2 366.421 2.674 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cc1O ZINC001203878505 1030952780 /nfs/dbraw/zinc/95/27/80/1030952780.db2.gz UYXNMHNBTHJDAR-OAQYLSRUSA-N 1 2 354.450 2.969 20 10 FFCDLO Oc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cc1O ZINC001203878505 1030952788 /nfs/dbraw/zinc/95/27/88/1030952788.db2.gz UYXNMHNBTHJDAR-OAQYLSRUSA-N 1 2 354.450 2.969 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3cc4c(cn3)OCCO4)CC2)cc1 ZINC001143069923 1031202546 /nfs/dbraw/zinc/20/25/46/1031202546.db2.gz ADGMMNMQVDDTQY-UHFFFAOYSA-N 1 2 355.438 2.574 20 10 FFCDLO COc1cc(C[NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)cc(O)c1O ZINC001204344460 1031240145 /nfs/dbraw/zinc/24/01/45/1031240145.db2.gz HOUYQWOLWUCEKZ-UHFFFAOYSA-N 1 2 364.442 2.596 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001139126803 1034956478 /nfs/dbraw/zinc/95/64/78/1034956478.db2.gz QNYHRPWMYFJFGJ-UHFFFAOYSA-N 1 2 362.426 2.764 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC001139126803 1034956482 /nfs/dbraw/zinc/95/64/82/1034956482.db2.gz QNYHRPWMYFJFGJ-UHFFFAOYSA-N 1 2 362.426 2.764 20 10 FFCDLO Cc1ccc(N2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)nc1 ZINC001139129132 1034958879 /nfs/dbraw/zinc/95/88/79/1034958879.db2.gz NUDGPBXFWWEWAW-UHFFFAOYSA-N 1 2 365.433 2.833 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001139129368 1034958964 /nfs/dbraw/zinc/95/89/64/1034958964.db2.gz XGRFTDIZEIIQDI-UHFFFAOYSA-N 1 2 370.449 2.688 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001233033352 1036275507 /nfs/dbraw/zinc/27/55/07/1036275507.db2.gz LWQVAYPOIGGLHI-NSHDSACASA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001233033352 1036275525 /nfs/dbraw/zinc/27/55/25/1036275525.db2.gz LWQVAYPOIGGLHI-NSHDSACASA-N 1 2 368.206 2.737 20 10 FFCDLO CCc1ccc(C[NH+]2CC3(C2)CN(CC2CCCC2)C(=O)CO3)c(O)c1 ZINC001277831488 1036917082 /nfs/dbraw/zinc/91/70/82/1036917082.db2.gz XQRKGRGBDMDXJA-UHFFFAOYSA-N 1 2 358.482 2.558 20 10 FFCDLO COc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)c(O)c1Cl ZINC001277834728 1036936316 /nfs/dbraw/zinc/93/63/16/1036936316.db2.gz UDOCSGMGKHVNBS-KRWDZBQOSA-N 1 2 374.815 2.886 20 10 FFCDLO COc1ccc(C[N@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)c(O)c1Cl ZINC001277834728 1036936330 /nfs/dbraw/zinc/93/63/30/1036936330.db2.gz UDOCSGMGKHVNBS-KRWDZBQOSA-N 1 2 374.815 2.886 20 10 FFCDLO CCCCN1CC2(C[NH+](Cc3cc4ccccc4cc3O)C2)OCC1=O ZINC001277849166 1036997213 /nfs/dbraw/zinc/99/72/13/1036997213.db2.gz QZROTJLBWLRERX-UHFFFAOYSA-N 1 2 354.450 2.759 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1)C1CC1 ZINC001235302999 1037462043 /nfs/dbraw/zinc/46/20/43/1037462043.db2.gz YABSOGIXNUNIIS-UHFFFAOYSA-N 1 2 371.250 2.784 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001235300828 1037462233 /nfs/dbraw/zinc/46/22/33/1037462233.db2.gz ADPHONBRYDDYHF-UHFFFAOYSA-N 1 2 355.211 2.722 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507857 1037541019 /nfs/dbraw/zinc/54/10/19/1037541019.db2.gz RVMRKIRDDFHMON-ADLMAVQZSA-N 1 2 368.836 2.587 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507857 1037541022 /nfs/dbraw/zinc/54/10/22/1037541022.db2.gz RVMRKIRDDFHMON-ADLMAVQZSA-N 1 2 368.836 2.587 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CCCCCS(=O)(=O)CC)CC2)cc1 ZINC001255649004 1038100950 /nfs/dbraw/zinc/10/09/50/1038100950.db2.gz MHYBNRRJSOHPIA-UHFFFAOYSA-N 1 2 368.543 2.812 20 10 FFCDLO COc1ccc(N2CCCC[C@@]23CC(=O)N(CCn2cc[nH+]c2)C3)cc1 ZINC001277989933 1038158361 /nfs/dbraw/zinc/15/83/61/1038158361.db2.gz BZNDMVBEDHJRHI-FQEVSTJZSA-N 1 2 354.454 2.553 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(F)c(O)c3)CC2)cc1 ZINC001236709524 1038210070 /nfs/dbraw/zinc/21/00/70/1038210070.db2.gz ZMGNLCNHYAEHTF-UHFFFAOYSA-N 1 2 360.429 2.879 20 10 FFCDLO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1OC ZINC001236751125 1038239125 /nfs/dbraw/zinc/23/91/25/1038239125.db2.gz CJQSTRANIDBONU-KRWDZBQOSA-N 1 2 356.413 2.715 20 10 FFCDLO COc1ccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c(O)c1Cl ZINC001236814789 1038288228 /nfs/dbraw/zinc/28/82/28/1038288228.db2.gz YXSBOWXGUUULTP-UHFFFAOYSA-N 1 2 352.862 2.889 20 10 FFCDLO COc1ccc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)c(O)c1Cl ZINC001236814789 1038288232 /nfs/dbraw/zinc/28/82/32/1038288232.db2.gz YXSBOWXGUUULTP-UHFFFAOYSA-N 1 2 352.862 2.889 20 10 FFCDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2c(O)ccc(F)c2Cl)C1=O ZINC001278023162 1038332050 /nfs/dbraw/zinc/33/20/50/1038332050.db2.gz MQXFMEFVFIYGCQ-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2c(O)ccc(F)c2Cl)C1=O ZINC001278023162 1038332061 /nfs/dbraw/zinc/33/20/61/1038332061.db2.gz MQXFMEFVFIYGCQ-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001278044344 1038417054 /nfs/dbraw/zinc/41/70/54/1038417054.db2.gz WQVJXAOIYJBYNS-HXUWFJFHSA-N 1 2 360.454 2.561 20 10 FFCDLO O=C1N(CC2CCCC2)CC[C@]12CCC[N@@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001278044344 1038417056 /nfs/dbraw/zinc/41/70/56/1038417056.db2.gz WQVJXAOIYJBYNS-HXUWFJFHSA-N 1 2 360.454 2.561 20 10 FFCDLO COc1cc(I)cc(C[NH+]2CC(C(F)F)C2)c1O ZINC001248409026 1040263164 /nfs/dbraw/zinc/26/31/64/1040263164.db2.gz KOUKUZVTGHRDQN-UHFFFAOYSA-N 1 2 369.149 2.702 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CC3(CCN3C(=O)Nc3cccnc3)C2)cc1 ZINC001279149625 1042920604 /nfs/dbraw/zinc/92/06/04/1042920604.db2.gz IWXUNGYIKBTOLI-UHFFFAOYSA-N 1 2 351.454 2.640 20 10 FFCDLO Oc1ccc(F)cc1C[NH+]1CC2(CCN2Cc2nc3ccccc3[nH]2)C1 ZINC001279197683 1042941837 /nfs/dbraw/zinc/94/18/37/1042941837.db2.gz XMJUVTBHFVXIGT-UHFFFAOYSA-N 1 2 352.413 2.868 20 10 FFCDLO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(Cl)c2O)n(C)n1 ZINC001279443166 1043119036 /nfs/dbraw/zinc/11/90/36/1043119036.db2.gz ZTGLMWJQBVTXRW-ROUUACIJSA-N 1 2 360.889 2.936 20 10 FFCDLO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccc(Cl)c2O)n(C)n1 ZINC001279443166 1043119053 /nfs/dbraw/zinc/11/90/53/1043119053.db2.gz ZTGLMWJQBVTXRW-ROUUACIJSA-N 1 2 360.889 2.936 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001237621611 1043277286 /nfs/dbraw/zinc/27/72/86/1043277286.db2.gz CXMKARWOLNJATE-ZIAGYGMSSA-N 1 2 374.840 2.645 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC001237621611 1043277295 /nfs/dbraw/zinc/27/72/95/1043277295.db2.gz CXMKARWOLNJATE-ZIAGYGMSSA-N 1 2 374.840 2.645 20 10 FFCDLO COc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(O)c(OC)c1 ZINC001237672742 1043302981 /nfs/dbraw/zinc/30/29/81/1043302981.db2.gz IPPILZVZXSOMOG-RBUKOAKNSA-N 1 2 369.465 2.653 20 10 FFCDLO COc1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(O)c(OC)c1 ZINC001237672742 1043302984 /nfs/dbraw/zinc/30/29/84/1043302984.db2.gz IPPILZVZXSOMOG-RBUKOAKNSA-N 1 2 369.465 2.653 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@H]1O ZINC001237798442 1043366709 /nfs/dbraw/zinc/36/67/09/1043366709.db2.gz FNMIFIDDGOGTSQ-ZIAGYGMSSA-N 1 2 374.840 2.645 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C[C@H]1O ZINC001237798442 1043366714 /nfs/dbraw/zinc/36/67/14/1043366714.db2.gz FNMIFIDDGOGTSQ-ZIAGYGMSSA-N 1 2 374.840 2.645 20 10 FFCDLO Oc1cc(Cl)c(F)cc1C[NH+]1CCN(c2nccc(Cl)n2)CC1 ZINC001237948709 1043450751 /nfs/dbraw/zinc/45/07/51/1043450751.db2.gz GZTHRPKPFBSLBA-UHFFFAOYSA-N 1 2 357.216 2.950 20 10 FFCDLO CCOc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2scnc2C)cc1 ZINC001279732515 1043549248 /nfs/dbraw/zinc/54/92/48/1043549248.db2.gz FUPACMONXGDOAX-MSOLQXFVSA-N 1 2 359.495 2.940 20 10 FFCDLO CCOc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2scnc2C)cc1 ZINC001279732515 1043549259 /nfs/dbraw/zinc/54/92/59/1043549259.db2.gz FUPACMONXGDOAX-MSOLQXFVSA-N 1 2 359.495 2.940 20 10 FFCDLO Cc1cc(C[NH+]2CCN([S@@](C)(=N)=O)CC2)ccc1N1CCCCC1 ZINC001473776204 1065356852 /nfs/dbraw/zinc/35/68/52/1065356852.db2.gz CLDROKBIJVTXMX-XMMPIXPASA-N 1 2 350.532 2.694 20 10 FFCDLO NS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1Cl ZINC001474294481 1065486629 /nfs/dbraw/zinc/48/66/29/1065486629.db2.gz OAVUJMJRQXGJEJ-UHFFFAOYSA-N 1 2 361.250 2.636 20 10 FFCDLO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589836942 1080788809 /nfs/dbraw/zinc/78/88/09/1080788809.db2.gz RAGXAOLYIRHOMB-STQMWFEESA-N 1 2 353.426 2.950 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000084090510 508265500 /nfs/dbraw/zinc/26/55/00/508265500.db2.gz AKDXZGAAZIDPMI-CVEARBPZSA-N 1 2 357.447 2.522 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000084090510 508265501 /nfs/dbraw/zinc/26/55/01/508265501.db2.gz AKDXZGAAZIDPMI-CVEARBPZSA-N 1 2 357.447 2.522 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000153613690 508607927 /nfs/dbraw/zinc/60/79/27/508607927.db2.gz ADVKDAZWTKBAOJ-UHFFFAOYSA-N 1 2 368.481 2.672 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCCN(C(N)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000153613690 508607930 /nfs/dbraw/zinc/60/79/30/508607930.db2.gz ADVKDAZWTKBAOJ-UHFFFAOYSA-N 1 2 368.481 2.672 20 10 FFCDLO C[C@H](O)C[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000130739606 508838861 /nfs/dbraw/zinc/83/88/61/508838861.db2.gz WXAKSSOVOYGBLO-ZETCQYMHSA-N 1 2 353.054 2.730 20 10 FFCDLO C[C@H](O)C[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000130739606 508838863 /nfs/dbraw/zinc/83/88/63/508838863.db2.gz WXAKSSOVOYGBLO-ZETCQYMHSA-N 1 2 353.054 2.730 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000186054951 509501526 /nfs/dbraw/zinc/50/15/26/509501526.db2.gz AJXZYXCQOVMNTH-NOZJJQNGSA-N 1 2 369.252 2.889 20 10 FFCDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000193021175 509739567 /nfs/dbraw/zinc/73/95/67/509739567.db2.gz XUXVSCQEWJQNLF-CQSZACIVSA-N 1 2 356.422 2.625 20 10 FFCDLO O=C(CCn1cc[nH+]c1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000360189538 510883034 /nfs/dbraw/zinc/88/30/34/510883034.db2.gz VAFPTZZSVYSUDM-UHFFFAOYSA-N 1 2 364.396 2.660 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)cc1F ZINC000294111094 510959006 /nfs/dbraw/zinc/95/90/06/510959006.db2.gz FVGCAZYJEUYKTO-UHFFFAOYSA-N 1 2 354.376 2.618 20 10 FFCDLO CCOC1CC(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)(N2CCOCC2)C1 ZINC000278431560 510992664 /nfs/dbraw/zinc/99/26/64/510992664.db2.gz JLXOPSSHPQRJNH-CDJWAVJASA-N 1 2 370.440 2.591 20 10 FFCDLO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2O)NC(=O)NC1=O ZINC000289953983 511122311 /nfs/dbraw/zinc/12/23/11/511122311.db2.gz YWRUTGYCSKUVCN-BZNIZROVSA-N 1 2 372.252 2.652 20 10 FFCDLO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2O)NC(=O)NC1=O ZINC000289953983 511122313 /nfs/dbraw/zinc/12/23/13/511122313.db2.gz YWRUTGYCSKUVCN-BZNIZROVSA-N 1 2 372.252 2.652 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000295994689 511582379 /nfs/dbraw/zinc/58/23/79/511582379.db2.gz PGDLEUUZJNZVEH-UHFFFAOYSA-N 1 2 350.466 2.553 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000295994689 511582381 /nfs/dbraw/zinc/58/23/81/511582381.db2.gz PGDLEUUZJNZVEH-UHFFFAOYSA-N 1 2 350.466 2.553 20 10 FFCDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC000293793311 512085804 /nfs/dbraw/zinc/08/58/04/512085804.db2.gz CQGWQFNQUUXHAS-ZDUSSCGKSA-N 1 2 360.223 2.796 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000472812129 515407463 /nfs/dbraw/zinc/40/74/63/515407463.db2.gz YLUBHKDZYKWYMA-UHFFFAOYSA-N 1 2 350.422 2.753 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000529678966 517279693 /nfs/dbraw/zinc/27/96/93/517279693.db2.gz ZEMQHYFSJSARRO-KGLIPLIRSA-N 1 2 374.300 2.615 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000529678966 517279700 /nfs/dbraw/zinc/27/97/00/517279700.db2.gz ZEMQHYFSJSARRO-KGLIPLIRSA-N 1 2 374.300 2.615 20 10 FFCDLO OC[C@H]1CCCN(c2cc(NCCCSc3nccs3)[nH+]cn2)C1 ZINC000156410877 728850562 /nfs/dbraw/zinc/85/05/62/728850562.db2.gz BUVCBUZDUBCJFD-ZDUSSCGKSA-N 1 2 365.528 2.736 20 10 FFCDLO OC[C@H]1CCCN(c2cc(NCCCSc3nccs3)nc[nH+]2)C1 ZINC000156410877 728850565 /nfs/dbraw/zinc/85/05/65/728850565.db2.gz BUVCBUZDUBCJFD-ZDUSSCGKSA-N 1 2 365.528 2.736 20 10 FFCDLO Cc1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000192691318 729456334 /nfs/dbraw/zinc/45/63/34/729456334.db2.gz DTMIUCDSYZUCRA-DTQAZKPQSA-N 1 2 362.520 2.919 20 10 FFCDLO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000857058571 730376689 /nfs/dbraw/zinc/37/66/89/730376689.db2.gz QLGSJTSPKGLAMF-HNNXBMFYSA-N 1 2 355.818 2.944 20 10 FFCDLO CC(C)n1ncnc1CN[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000865462367 730958211 /nfs/dbraw/zinc/95/82/11/730958211.db2.gz MOJDXYCOJFMUGZ-INIZCTEOSA-N 1 2 363.893 2.972 20 10 FFCDLO CC(C)n1ncnc1CN[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000865462367 730958214 /nfs/dbraw/zinc/95/82/14/730958214.db2.gz MOJDXYCOJFMUGZ-INIZCTEOSA-N 1 2 363.893 2.972 20 10 FFCDLO C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Br)cc(F)c1O ZINC000866496121 731067064 /nfs/dbraw/zinc/06/70/64/731067064.db2.gz LXONMGWWWOFJOP-SECBINFHSA-N 1 2 367.222 2.623 20 10 FFCDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000872753229 731826860 /nfs/dbraw/zinc/82/68/60/731826860.db2.gz JYFVCGZKNNKNBC-INIZCTEOSA-N 1 2 353.344 2.583 20 10 FFCDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000872753229 731826865 /nfs/dbraw/zinc/82/68/65/731826865.db2.gz JYFVCGZKNNKNBC-INIZCTEOSA-N 1 2 353.344 2.583 20 10 FFCDLO CC1(C)OC[C@@H]([C@@H]2C[N@H+](Cc3c(O)cccc3Br)CCO2)O1 ZINC000877785162 732430509 /nfs/dbraw/zinc/43/05/09/732430509.db2.gz WXGWIVQNTVXGRE-GJZGRUSLSA-N 1 2 372.259 2.507 20 10 FFCDLO CC1(C)OC[C@@H]([C@@H]2C[N@@H+](Cc3c(O)cccc3Br)CCO2)O1 ZINC000877785162 732430514 /nfs/dbraw/zinc/43/05/14/732430514.db2.gz WXGWIVQNTVXGRE-GJZGRUSLSA-N 1 2 372.259 2.507 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000781896712 738668847 /nfs/dbraw/zinc/66/88/47/738668847.db2.gz MMPVRCNKJZMLFE-CYBMUJFWSA-N 1 2 374.300 2.615 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000781896712 738668848 /nfs/dbraw/zinc/66/88/48/738668848.db2.gz MMPVRCNKJZMLFE-CYBMUJFWSA-N 1 2 374.300 2.615 20 10 FFCDLO CNC(=O)C1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882935189 733312193 /nfs/dbraw/zinc/31/21/93/733312193.db2.gz IHJRJHNNDAWUQW-UHFFFAOYSA-N 1 2 359.239 2.688 20 10 FFCDLO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883147540 733342416 /nfs/dbraw/zinc/34/24/16/733342416.db2.gz ZINIPEXBBKPZND-MGCOHNPYSA-N 1 2 359.239 2.675 20 10 FFCDLO COC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000883165418 733345334 /nfs/dbraw/zinc/34/53/34/733345334.db2.gz DTTUYBFQNPSPBV-AWEZNQCLSA-N 1 2 362.239 2.825 20 10 FFCDLO CC(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708139464 734362509 /nfs/dbraw/zinc/36/25/09/734362509.db2.gz RSWJFDFRGHKDTO-UHFFFAOYSA-N 1 2 370.696 2.721 20 10 FFCDLO COc1ccc(C[N@H+](C)Cc2nccn2CC(F)(F)F)c(O)c1OC ZINC000891921397 734495196 /nfs/dbraw/zinc/49/51/96/734495196.db2.gz RATICWZDTXXHIU-UHFFFAOYSA-N 1 2 359.348 2.800 20 10 FFCDLO COc1ccc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c(O)c1OC ZINC000891921397 734495198 /nfs/dbraw/zinc/49/51/98/734495198.db2.gz RATICWZDTXXHIU-UHFFFAOYSA-N 1 2 359.348 2.800 20 10 FFCDLO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2O)CN1 ZINC000894093574 734800083 /nfs/dbraw/zinc/80/00/83/734800083.db2.gz FTQUYTPXIIAGIV-QMTHXVAHSA-N 1 2 371.250 2.784 20 10 FFCDLO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2O)CN1 ZINC000894093574 734800085 /nfs/dbraw/zinc/80/00/85/734800085.db2.gz FTQUYTPXIIAGIV-QMTHXVAHSA-N 1 2 371.250 2.784 20 10 FFCDLO COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894930720 734938924 /nfs/dbraw/zinc/93/89/24/734938924.db2.gz VOZZQXOURFDTFT-CQSZACIVSA-N 1 2 364.667 2.639 20 10 FFCDLO COC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894930720 734938926 /nfs/dbraw/zinc/93/89/26/734938926.db2.gz VOZZQXOURFDTFT-CQSZACIVSA-N 1 2 364.667 2.639 20 10 FFCDLO C[C@@](CO)([NH2+]Cc1cc(Br)cc(F)c1O)c1cccc(O)c1 ZINC000895390315 734999585 /nfs/dbraw/zinc/99/95/85/734999585.db2.gz WPXLDSHWSNQDJR-INIZCTEOSA-N 1 2 370.218 2.997 20 10 FFCDLO O=C1CC2(CCC2)[N@H+](Cc2cc(Br)cc(F)c2O)CCN1 ZINC000895926797 735074552 /nfs/dbraw/zinc/07/45/52/735074552.db2.gz GPYMXXHOJUOTGY-UHFFFAOYSA-N 1 2 357.223 2.538 20 10 FFCDLO O=C1CC2(CCC2)[N@@H+](Cc2cc(Br)cc(F)c2O)CCN1 ZINC000895926797 735074555 /nfs/dbraw/zinc/07/45/55/735074555.db2.gz GPYMXXHOJUOTGY-UHFFFAOYSA-N 1 2 357.223 2.538 20 10 FFCDLO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756554171 736342072 /nfs/dbraw/zinc/34/20/72/736342072.db2.gz OFAVXPZEDFTQOB-WDEREUQCSA-N 1 2 361.255 2.665 20 10 FFCDLO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)cc(F)c1O ZINC000756584886 736345097 /nfs/dbraw/zinc/34/50/97/736345097.db2.gz HIDBORZEWLIFAZ-VIFPVBQESA-N 1 2 359.239 2.990 20 10 FFCDLO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Br)c(F)cc1O ZINC000756704256 736353794 /nfs/dbraw/zinc/35/37/94/736353794.db2.gz JJEPGUVASXNGAJ-XNWIYYODSA-N 1 2 359.239 2.989 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(Br)cc(F)c1O ZINC000756732007 736356251 /nfs/dbraw/zinc/35/62/51/736356251.db2.gz KLWDBPUTDJABSH-HFAYUQKSSA-N 1 2 371.250 2.954 20 10 FFCDLO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756759560 736359407 /nfs/dbraw/zinc/35/94/07/736359407.db2.gz KXNNCXROXNVREQ-UWVGGRQHSA-N 1 2 374.254 2.748 20 10 FFCDLO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000757659792 736417271 /nfs/dbraw/zinc/41/72/71/736417271.db2.gz QATZKEBWEDCKEN-LKFCYVNXSA-N 1 2 362.239 2.732 20 10 FFCDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000775644978 738108771 /nfs/dbraw/zinc/10/87/71/738108771.db2.gz YZJQSHVLPQAEMK-NSHDSACASA-N 1 2 354.859 2.886 20 10 FFCDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000775644978 738108773 /nfs/dbraw/zinc/10/87/73/738108773.db2.gz YZJQSHVLPQAEMK-NSHDSACASA-N 1 2 354.859 2.886 20 10 FFCDLO COc1cccc(O)c1C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000777220385 738272708 /nfs/dbraw/zinc/27/27/08/738272708.db2.gz QGVKKLMKSGFYSO-UHFFFAOYSA-N 1 2 374.388 2.593 20 10 FFCDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000793608421 739799132 /nfs/dbraw/zinc/79/91/32/739799132.db2.gz ICNGZUSVDORTHB-UHFFFAOYSA-N 1 2 366.870 2.512 20 10 FFCDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000793608421 739799136 /nfs/dbraw/zinc/79/91/36/739799136.db2.gz ICNGZUSVDORTHB-UHFFFAOYSA-N 1 2 366.870 2.512 20 10 FFCDLO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(Br)cc(F)c1O ZINC000795830283 740068398 /nfs/dbraw/zinc/06/83/98/740068398.db2.gz VAZSDUWONNHXHV-HBNTYKKESA-N 1 2 362.239 2.589 20 10 FFCDLO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1O ZINC000809747893 741339482 /nfs/dbraw/zinc/33/94/82/741339482.db2.gz HULCRXQBSPLSRV-LBPRGKRZSA-N 1 2 369.820 2.840 20 10 FFCDLO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)c2ccccc21 ZINC000824514672 743097493 /nfs/dbraw/zinc/09/74/93/743097493.db2.gz BIHJJPUTIDUOAK-LLVKDONJSA-N 1 2 355.818 2.845 20 10 FFCDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000824914316 743177665 /nfs/dbraw/zinc/17/76/65/743177665.db2.gz PEYKGOGOZGBOGE-CYBMUJFWSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000824914316 743177669 /nfs/dbraw/zinc/17/76/69/743177669.db2.gz PEYKGOGOZGBOGE-CYBMUJFWSA-N 1 2 362.289 2.554 20 10 FFCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC000827962786 745007928 /nfs/dbraw/zinc/00/79/28/745007928.db2.gz SNSYBMLNLZTDGU-UGSOOPFHSA-N 1 2 358.404 2.907 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC000827962786 745007932 /nfs/dbraw/zinc/00/79/32/745007932.db2.gz SNSYBMLNLZTDGU-UGSOOPFHSA-N 1 2 358.404 2.907 20 10 FFCDLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840911044 747221894 /nfs/dbraw/zinc/22/18/94/747221894.db2.gz UVVORNZLJSJOHZ-UHFFFAOYSA-N 1 2 367.921 2.730 20 10 FFCDLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840911044 747221897 /nfs/dbraw/zinc/22/18/97/747221897.db2.gz UVVORNZLJSJOHZ-UHFFFAOYSA-N 1 2 367.921 2.730 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnn(C4CCC4)c3)CC2)c(OC)c1 ZINC000895816512 970981729 /nfs/dbraw/zinc/98/17/29/970981729.db2.gz FGIVOEXXUCRSCA-UHFFFAOYSA-N 1 2 356.470 2.948 20 10 FFCDLO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000871869900 1013095400 /nfs/dbraw/zinc/09/54/00/1013095400.db2.gz BQFKXUJGCAELPJ-ZIAGYGMSSA-N 1 2 359.426 2.710 20 10 FFCDLO CCn1c[nH+]c2c1CCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])C2 ZINC000896659537 971648714 /nfs/dbraw/zinc/64/87/14/971648714.db2.gz KZDJHRVDZLXJKY-ALCCZGGFSA-N 1 2 356.382 2.560 20 10 FFCDLO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(F)c(F)cc1O)C2 ZINC001279108751 964068562 /nfs/dbraw/zinc/06/85/62/964068562.db2.gz WNFGVJDTSAGXQN-OAHLLOKOSA-N 1 2 360.404 2.837 20 10 FFCDLO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2c[nH+]cn2C)cc1 ZINC000292322553 968393015 /nfs/dbraw/zinc/39/30/15/968393015.db2.gz MMNUVSXWKBUEJI-UHFFFAOYSA-N 1 2 367.453 2.991 20 10 FFCDLO Oc1ccc(C[C@@H](O)c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1O ZINC001211665289 974044436 /nfs/dbraw/zinc/04/44/36/974044436.db2.gz NKUMYDQDCVVOAM-QGZVFWFLSA-N 1 2 364.361 2.610 20 10 FFCDLO CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)[nH]c(=O)c1 ZINC001271796492 974341658 /nfs/dbraw/zinc/34/16/58/974341658.db2.gz HTWAXCSUAGFMSA-PVAVHDDUSA-N 1 2 361.486 2.998 20 10 FFCDLO CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)[nH]c(=O)c1 ZINC001271796492 974341667 /nfs/dbraw/zinc/34/16/67/974341667.db2.gz HTWAXCSUAGFMSA-PVAVHDDUSA-N 1 2 361.486 2.998 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000796580617 1014410843 /nfs/dbraw/zinc/41/08/43/1014410843.db2.gz RFXWCXPZKZWHJB-OXQOHEQNSA-N 1 2 374.456 2.888 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000796580617 1014410850 /nfs/dbraw/zinc/41/08/50/1014410850.db2.gz RFXWCXPZKZWHJB-OXQOHEQNSA-N 1 2 374.456 2.888 20 10 FFCDLO COc1cc(NC(=O)C[N@H+](C)Cc2cc(F)cc(F)c2O)cc(OC)c1 ZINC000894089025 977658231 /nfs/dbraw/zinc/65/82/31/977658231.db2.gz OMHPNBOXVPOBFM-UHFFFAOYSA-N 1 2 366.364 2.758 20 10 FFCDLO COc1cc(NC(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2O)cc(OC)c1 ZINC000894089025 977658234 /nfs/dbraw/zinc/65/82/34/977658234.db2.gz OMHPNBOXVPOBFM-UHFFFAOYSA-N 1 2 366.364 2.758 20 10 FFCDLO O=C([C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1O)N1CCCC1 ZINC000876998435 1014445684 /nfs/dbraw/zinc/44/56/84/1014445684.db2.gz HBMFJIGEMXMSQT-KRWDZBQOSA-N 1 2 360.404 2.994 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)NCc3cccc(Cl)c3)CC2)cc1 ZINC000057547907 984503546 /nfs/dbraw/zinc/50/35/46/984503546.db2.gz PVGNIHUNCCIFFX-UHFFFAOYSA-N 1 2 373.884 2.787 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)NCCCc3ccccc3)CC2)cc1 ZINC000057548534 984503759 /nfs/dbraw/zinc/50/37/59/984503759.db2.gz XCYSQSWHCWKGEU-UHFFFAOYSA-N 1 2 367.493 2.566 20 10 FFCDLO Oc1ccc(F)cc1C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000179900873 991368980 /nfs/dbraw/zinc/36/89/80/991368980.db2.gz NAGZDEDVQZFEKC-UHFFFAOYSA-N 1 2 374.441 2.961 20 10 FFCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824231604 996848595 /nfs/dbraw/zinc/84/85/95/996848595.db2.gz PNIQOXBDPZZGBF-RBUKOAKNSA-N 1 2 374.506 2.883 20 10 FFCDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824231604 996848612 /nfs/dbraw/zinc/84/86/12/996848612.db2.gz PNIQOXBDPZZGBF-RBUKOAKNSA-N 1 2 374.506 2.883 20 10 FFCDLO COc1ccc(N2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000824606717 997009891 /nfs/dbraw/zinc/00/98/91/997009891.db2.gz WJUZOPUZGUVKQH-UHFFFAOYSA-N 1 2 363.465 2.988 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000824606717 997009906 /nfs/dbraw/zinc/00/99/06/997009906.db2.gz WJUZOPUZGUVKQH-UHFFFAOYSA-N 1 2 363.465 2.988 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(F)F ZINC000824673794 997047644 /nfs/dbraw/zinc/04/76/44/997047644.db2.gz XRKWKRYUFLUDBI-NSHDSACASA-N 1 2 374.384 2.759 20 10 FFCDLO COc1ccc(N2CCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)cc1 ZINC000845255856 998440269 /nfs/dbraw/zinc/44/02/69/998440269.db2.gz FKEOQQQKCLUULI-UHFFFAOYSA-N 1 2 368.481 2.509 20 10 FFCDLO Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c[nH+]1 ZINC000767947594 1000163329 /nfs/dbraw/zinc/16/33/29/1000163329.db2.gz NJVQQNJBBYDTJH-UHFFFAOYSA-N 1 2 368.481 2.651 20 10 FFCDLO CCCc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000770509691 1000804279 /nfs/dbraw/zinc/80/42/79/1000804279.db2.gz RGSXAXDQGBTWCE-UHFFFAOYSA-N 1 2 374.506 2.851 20 10 FFCDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000787440591 1001691486 /nfs/dbraw/zinc/69/14/86/1001691486.db2.gz RAEIPCQGWZPPME-GOSISDBHSA-N 1 2 364.461 2.968 20 10 FFCDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000787440591 1001691488 /nfs/dbraw/zinc/69/14/88/1001691488.db2.gz RAEIPCQGWZPPME-GOSISDBHSA-N 1 2 364.461 2.968 20 10 FFCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000788267811 1001783911 /nfs/dbraw/zinc/78/39/11/1001783911.db2.gz ZDMVIVFLTPJYMS-UHFFFAOYSA-N 1 2 359.514 2.746 20 10 FFCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000103508619 1003065383 /nfs/dbraw/zinc/06/53/83/1003065383.db2.gz ZTUGXBNMLPZBDI-CQSZACIVSA-N 1 2 370.453 2.956 20 10 FFCDLO CCc1nocc1C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000816569561 1007122125 /nfs/dbraw/zinc/12/21/25/1007122125.db2.gz PILNTWXIXPRIJT-UHFFFAOYSA-N 1 2 361.442 2.585 20 10 FFCDLO Cc1ccc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)c(O)c1O ZINC000817182836 1007462431 /nfs/dbraw/zinc/46/24/31/1007462431.db2.gz HKBBHGJHTHWDML-UHFFFAOYSA-N 1 2 357.406 2.595 20 10 FFCDLO CC[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[N@@H+]1CCO[C@H](CC)C1 ZINC000773876723 1009840261 /nfs/dbraw/zinc/84/02/61/1009840261.db2.gz BMLCYIKHJVSCPV-RTBURBONSA-N 1 2 359.514 2.575 20 10 FFCDLO CC[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[N@H+]1CCO[C@H](CC)C1 ZINC000773876723 1009840275 /nfs/dbraw/zinc/84/02/75/1009840275.db2.gz BMLCYIKHJVSCPV-RTBURBONSA-N 1 2 359.514 2.575 20 10 FFCDLO Cc1ccc(O)c(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000862760496 1009962493 /nfs/dbraw/zinc/96/24/93/1009962493.db2.gz SJHPDYSPSAAVKP-MRXNPFEDSA-N 1 2 371.456 2.667 20 10 FFCDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc(N)cc3)C2)c1 ZINC000868162265 1011186444 /nfs/dbraw/zinc/18/64/44/1011186444.db2.gz GOBMZRGRGAWLFF-IBGZPJMESA-N 1 2 354.454 2.600 20 10 FFCDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc(N)cc3)C2)c1 ZINC000868162265 1011186447 /nfs/dbraw/zinc/18/64/47/1011186447.db2.gz GOBMZRGRGAWLFF-IBGZPJMESA-N 1 2 354.454 2.600 20 10 FFCDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c2ncnn21 ZINC000924713531 1017439509 /nfs/dbraw/zinc/43/95/09/1017439509.db2.gz FEWCZBGKFGHXPI-VWPFQQQWSA-N 1 2 359.449 2.826 20 10 FFCDLO CCCC[N@H+](CC(=O)NC(=O)c1ccc(OC)cc1)Cc1ccccc1O ZINC000801596028 1019157232 /nfs/dbraw/zinc/15/72/32/1019157232.db2.gz ZNNOCDRICZVWQY-UHFFFAOYSA-N 1 2 370.449 2.960 20 10 FFCDLO CCCC[N@@H+](CC(=O)NC(=O)c1ccc(OC)cc1)Cc1ccccc1O ZINC000801596028 1019157236 /nfs/dbraw/zinc/15/72/36/1019157236.db2.gz ZNNOCDRICZVWQY-UHFFFAOYSA-N 1 2 370.449 2.960 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C1CC1 ZINC000726590532 1020491760 /nfs/dbraw/zinc/49/17/60/1020491760.db2.gz ZKDKUBGHBFOSKZ-UHFFFAOYSA-N 1 2 357.406 2.860 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C1CC1 ZINC000726590532 1020491770 /nfs/dbraw/zinc/49/17/70/1020491770.db2.gz ZKDKUBGHBFOSKZ-UHFFFAOYSA-N 1 2 357.406 2.860 20 10 FFCDLO Oc1cccc(F)c1C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001137837536 1033179837 /nfs/dbraw/zinc/17/98/37/1033179837.db2.gz KWAHOPOEBJRDNY-UHFFFAOYSA-N 1 2 362.352 2.724 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c(Cl)c1 ZINC000840947107 1029942261 /nfs/dbraw/zinc/94/22/61/1029942261.db2.gz ZZECTUHWBKVYQB-LJQANCHMSA-N 1 2 373.884 2.698 20 10 FFCDLO Cn1nnc2c1CC[N@H+](Cc1ccccc1O)[C@@H]2COCc1ccccc1 ZINC001203551295 1030760870 /nfs/dbraw/zinc/76/08/70/1030760870.db2.gz AXZPWOHNYWNRSM-LJQANCHMSA-N 1 2 364.449 2.837 20 10 FFCDLO Cn1nnc2c1CC[N@@H+](Cc1ccccc1O)[C@@H]2COCc1ccccc1 ZINC001203551295 1030760886 /nfs/dbraw/zinc/76/08/86/1030760886.db2.gz AXZPWOHNYWNRSM-LJQANCHMSA-N 1 2 364.449 2.837 20 10 FFCDLO Oc1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1O ZINC001203875778 1030949362 /nfs/dbraw/zinc/94/93/62/1030949362.db2.gz UTIROEKDLPKIKQ-UHFFFAOYSA-N 1 2 364.243 2.578 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cc1O ZINC001203879729 1030956235 /nfs/dbraw/zinc/95/62/35/1030956235.db2.gz ZIJFPUPMOCQIEV-LVCYWYKZSA-N 1 2 370.449 2.689 20 10 FFCDLO Oc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cc1O ZINC001203879729 1030956240 /nfs/dbraw/zinc/95/62/40/1030956240.db2.gz ZIJFPUPMOCQIEV-LVCYWYKZSA-N 1 2 370.449 2.689 20 10 FFCDLO NS(=O)(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2O)ccc1Cl ZINC001204001888 1031031703 /nfs/dbraw/zinc/03/17/03/1031031703.db2.gz FNCUYDXYIYDEFH-UHFFFAOYSA-N 1 2 361.250 2.636 20 10 FFCDLO Cc1cc(CCNC(=O)/C=C/C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC001150450231 1031716798 /nfs/dbraw/zinc/71/67/98/1031716798.db2.gz XBCLCVQGOJPAHX-RMKNXTFCSA-N 1 2 367.493 2.641 20 10 FFCDLO OC[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC(F)(F)C1 ZINC001138337872 1034167821 /nfs/dbraw/zinc/16/78/21/1034167821.db2.gz FHYHYBVUYQOUCL-ZDUSSCGKSA-N 1 2 352.425 2.541 20 10 FFCDLO OC[C@@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC(F)(F)C1 ZINC001138337872 1034167830 /nfs/dbraw/zinc/16/78/30/1034167830.db2.gz FHYHYBVUYQOUCL-ZDUSSCGKSA-N 1 2 352.425 2.541 20 10 FFCDLO Oc1c(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138340681 1034170535 /nfs/dbraw/zinc/17/05/35/1034170535.db2.gz ZFGYWVKKTRISKX-HNNXBMFYSA-N 1 2 356.388 2.854 20 10 FFCDLO Oc1c(C[N@H+]2CCO[C@H](C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138340681 1034170543 /nfs/dbraw/zinc/17/05/43/1034170543.db2.gz ZFGYWVKKTRISKX-HNNXBMFYSA-N 1 2 356.388 2.854 20 10 FFCDLO Brc1cc(C[N@@H+]2CC[C@@]23CCOC3)ccc1N1CCOCC1 ZINC001138676968 1034537551 /nfs/dbraw/zinc/53/75/51/1034537551.db2.gz BIEBCSLVRDAHOA-KRWDZBQOSA-N 1 2 367.287 2.651 20 10 FFCDLO Brc1cc(C[N@H+]2CC[C@@]23CCOC3)ccc1N1CCOCC1 ZINC001138676968 1034537557 /nfs/dbraw/zinc/53/75/57/1034537557.db2.gz BIEBCSLVRDAHOA-KRWDZBQOSA-N 1 2 367.287 2.651 20 10 FFCDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCc1c(O)cccc1F ZINC001221424906 1034742328 /nfs/dbraw/zinc/74/23/28/1034742328.db2.gz OKDCBNCTCWRSQN-UHFFFAOYSA-N 1 2 358.348 2.856 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001139127076 1034957307 /nfs/dbraw/zinc/95/73/07/1034957307.db2.gz DWHHTBZTOGUWLG-UHFFFAOYSA-N 1 2 370.449 2.641 20 10 FFCDLO CN(C(=O)CN1CC[NH+](Cc2c(O)cccc2Cl)CC1)c1ccccc1 ZINC001140342196 1035445106 /nfs/dbraw/zinc/44/51/06/1035445106.db2.gz WWHAUTWMIDHEDF-UHFFFAOYSA-N 1 2 373.884 2.826 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)Cc2c1cnn2C ZINC001232257354 1035529523 /nfs/dbraw/zinc/52/95/23/1035529523.db2.gz CPIVUNXZZKHEJJ-LBPRGKRZSA-N 1 2 351.834 2.621 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)Cc2c1cnn2C ZINC001232257354 1035529538 /nfs/dbraw/zinc/52/95/38/1035529538.db2.gz CPIVUNXZZKHEJJ-LBPRGKRZSA-N 1 2 351.834 2.621 20 10 FFCDLO Oc1cc(O)c(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1Cl ZINC001232259754 1035531077 /nfs/dbraw/zinc/53/10/77/1035531077.db2.gz IUNBCVYUSXIEMU-GASCZTMLSA-N 1 2 359.857 2.710 20 10 FFCDLO Oc1cc(O)c(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1Cl ZINC001232259754 1035531091 /nfs/dbraw/zinc/53/10/91/1035531091.db2.gz IUNBCVYUSXIEMU-GASCZTMLSA-N 1 2 359.857 2.710 20 10 FFCDLO O=C1N(c2cccnc2)CC[C@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581720 1035660571 /nfs/dbraw/zinc/66/05/71/1035660571.db2.gz YKKQGLWPOTYNGM-IBGZPJMESA-N 1 2 359.376 2.694 20 10 FFCDLO O=C1N(c2cccnc2)CC[C@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581720 1035660576 /nfs/dbraw/zinc/66/05/76/1035660576.db2.gz YKKQGLWPOTYNGM-IBGZPJMESA-N 1 2 359.376 2.694 20 10 FFCDLO O=C1N(Cc2cccnc2)CC[C@@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581561 1035661161 /nfs/dbraw/zinc/66/11/61/1035661161.db2.gz ZBJHNDYZCPOGID-HXUWFJFHSA-N 1 2 373.403 2.690 20 10 FFCDLO O=C1N(Cc2cccnc2)CC[C@@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581561 1035661172 /nfs/dbraw/zinc/66/11/72/1035661172.db2.gz ZBJHNDYZCPOGID-HXUWFJFHSA-N 1 2 373.403 2.690 20 10 FFCDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277232445 1035679933 /nfs/dbraw/zinc/67/99/33/1035679933.db2.gz QIDGVERCKFFOAN-GOSISDBHSA-N 1 2 352.862 2.649 20 10 FFCDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277232445 1035679939 /nfs/dbraw/zinc/67/99/39/1035679939.db2.gz QIDGVERCKFFOAN-GOSISDBHSA-N 1 2 352.862 2.649 20 10 FFCDLO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232527 1035682686 /nfs/dbraw/zinc/68/26/86/1035682686.db2.gz SNHPJSQJOILWMP-DOMZBBRYSA-N 1 2 364.873 2.741 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3CCC34COC4)c2)nc1C ZINC001232452452 1035696275 /nfs/dbraw/zinc/69/62/75/1035696275.db2.gz PSWDSQKWBWYGQT-UHFFFAOYSA-N 1 2 374.462 2.976 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3CCC34COC4)c2)nc1C ZINC001232452452 1035696283 /nfs/dbraw/zinc/69/62/83/1035696283.db2.gz PSWDSQKWBWYGQT-UHFFFAOYSA-N 1 2 374.462 2.976 20 10 FFCDLO CC(C)=CCN1C[C@@]2(F)C[N@H+](Cc3c(C)cccc3O)C[C@@]2(F)C1=O ZINC001277318064 1036225849 /nfs/dbraw/zinc/22/58/49/1036225849.db2.gz MGNWFAWHWNNYNS-RBUKOAKNSA-N 1 2 350.409 2.741 20 10 FFCDLO CC(C)=CCN1C[C@@]2(F)C[N@@H+](Cc3c(C)cccc3O)C[C@@]2(F)C1=O ZINC001277318064 1036225863 /nfs/dbraw/zinc/22/58/63/1036225863.db2.gz MGNWFAWHWNNYNS-RBUKOAKNSA-N 1 2 350.409 2.741 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001233033351 1036274712 /nfs/dbraw/zinc/27/47/12/1036274712.db2.gz LWQVAYPOIGGLHI-LLVKDONJSA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001233033351 1036274718 /nfs/dbraw/zinc/27/47/18/1036274718.db2.gz LWQVAYPOIGGLHI-LLVKDONJSA-N 1 2 368.206 2.737 20 10 FFCDLO CC(=O)N1CCC2(CC1)C[N@H+](Cc1ccc(N(C)C)cc1Cl)CCO2 ZINC001140924434 1036462895 /nfs/dbraw/zinc/46/28/95/1036462895.db2.gz OPCBFTCPDIOFBR-UHFFFAOYSA-N 1 2 365.905 2.619 20 10 FFCDLO CC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccc(N(C)C)cc1Cl)CCO2 ZINC001140924434 1036462901 /nfs/dbraw/zinc/46/29/01/1036462901.db2.gz OPCBFTCPDIOFBR-UHFFFAOYSA-N 1 2 365.905 2.619 20 10 FFCDLO COc1ccnc(O[C@H]2CCC[N@H+](Cc3c(O)ccc(F)c3F)C2)n1 ZINC001233336686 1036543697 /nfs/dbraw/zinc/54/36/97/1036543697.db2.gz VSMMWAJNEQARKT-NSHDSACASA-N 1 2 351.353 2.512 20 10 FFCDLO COc1ccnc(O[C@H]2CCC[N@@H+](Cc3c(O)ccc(F)c3F)C2)n1 ZINC001233336686 1036543704 /nfs/dbraw/zinc/54/37/04/1036543704.db2.gz VSMMWAJNEQARKT-NSHDSACASA-N 1 2 351.353 2.512 20 10 FFCDLO COc1cc(C)nc(OC2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)n1 ZINC001233336548 1036544487 /nfs/dbraw/zinc/54/44/87/1036544487.db2.gz PNDPQKVXMIWCKW-UHFFFAOYSA-N 1 2 365.380 2.821 20 10 FFCDLO CC[N@@H+]1CCC[C@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229197781 1036548371 /nfs/dbraw/zinc/54/83/71/1036548371.db2.gz QFDPWHFBWDNUMG-LBPRGKRZSA-N 1 2 367.401 2.736 20 10 FFCDLO CC[N@H+]1CCC[C@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229197781 1036548385 /nfs/dbraw/zinc/54/83/85/1036548385.db2.gz QFDPWHFBWDNUMG-LBPRGKRZSA-N 1 2 367.401 2.736 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387067 1036671861 /nfs/dbraw/zinc/67/18/61/1036671861.db2.gz DTLBAQWXAKMKOQ-KZULUSFZSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387067 1036671869 /nfs/dbraw/zinc/67/18/69/1036671869.db2.gz DTLBAQWXAKMKOQ-KZULUSFZSA-N 1 2 370.852 2.787 20 10 FFCDLO COc1ccc(N2CCN(C(=O)NCc3c[nH+]c(C)cc3C)CC2)cc1F ZINC000836655109 1036727672 /nfs/dbraw/zinc/72/76/72/1036727672.db2.gz DYZZBWSXYDJZHQ-UHFFFAOYSA-N 1 2 372.444 2.878 20 10 FFCDLO CCCCN1C[C@@]2(F)C[N@H+](Cc3c(C)cc(OC)cc3O)C[C@@]2(F)C1=O ZINC001277834075 1036935540 /nfs/dbraw/zinc/93/55/40/1036935540.db2.gz PSHVANVKTLMXIM-RBUKOAKNSA-N 1 2 368.424 2.584 20 10 FFCDLO CCCCN1C[C@@]2(F)C[N@@H+](Cc3c(C)cc(OC)cc3O)C[C@@]2(F)C1=O ZINC001277834075 1036935553 /nfs/dbraw/zinc/93/55/53/1036935553.db2.gz PSHVANVKTLMXIM-RBUKOAKNSA-N 1 2 368.424 2.584 20 10 FFCDLO OC[C@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)C[C@@H]1C(F)(F)F ZINC001235058087 1037331524 /nfs/dbraw/zinc/33/15/24/1037331524.db2.gz VQDQNHRLSJRNQT-SCZZXKLOSA-N 1 2 372.156 2.896 20 10 FFCDLO OC[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)C[C@@H]1C(F)(F)F ZINC001235058087 1037331540 /nfs/dbraw/zinc/33/15/40/1037331540.db2.gz VQDQNHRLSJRNQT-SCZZXKLOSA-N 1 2 372.156 2.896 20 10 FFCDLO O=C1CCC2(CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)N1 ZINC001235073460 1037344378 /nfs/dbraw/zinc/34/43/78/1037344378.db2.gz BDDGQWCZTOBKFQ-UHFFFAOYSA-N 1 2 357.223 2.538 20 10 FFCDLO COC(=O)[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587886 1037709011 /nfs/dbraw/zinc/70/90/11/1037709011.db2.gz IJWPZGXFWXBALE-YOEHRIQHSA-N 1 2 369.339 2.586 20 10 FFCDLO COC(=O)[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587886 1037709024 /nfs/dbraw/zinc/70/90/24/1037709024.db2.gz IJWPZGXFWXBALE-YOEHRIQHSA-N 1 2 369.339 2.586 20 10 FFCDLO COc1cc(CN2CC[N@H+](Cc3ccc(F)cc3)C[C@H]2C)c(O)cc1O ZINC001231635392 1037753837 /nfs/dbraw/zinc/75/38/37/1037753837.db2.gz XWHFMNYDDUFMLW-CQSZACIVSA-N 1 2 360.429 2.952 20 10 FFCDLO COc1cc(CN2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]2C)c(O)cc1O ZINC001231635392 1037753848 /nfs/dbraw/zinc/75/38/48/1037753848.db2.gz XWHFMNYDDUFMLW-CQSZACIVSA-N 1 2 360.429 2.952 20 10 FFCDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1c(C)cc(C)cc1O ZINC001231845394 1037943579 /nfs/dbraw/zinc/94/35/79/1037943579.db2.gz YBQBHKLEOQDDFS-GOSISDBHSA-N 1 2 356.470 2.756 20 10 FFCDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231845394 1037943581 /nfs/dbraw/zinc/94/35/81/1037943581.db2.gz YBQBHKLEOQDDFS-GOSISDBHSA-N 1 2 356.470 2.756 20 10 FFCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001231910435 1038008093 /nfs/dbraw/zinc/00/80/93/1038008093.db2.gz PRAYSWWIOKOCCX-CGTJXYLNSA-N 1 2 367.873 2.688 20 10 FFCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001231910435 1038008112 /nfs/dbraw/zinc/00/81/12/1038008112.db2.gz PRAYSWWIOKOCCX-CGTJXYLNSA-N 1 2 367.873 2.688 20 10 FFCDLO CCOC(=O)C1CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236769597 1038251415 /nfs/dbraw/zinc/25/14/15/1038251415.db2.gz XAYGHJCCWAGXME-UHFFFAOYSA-N 1 2 358.232 2.635 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)c(Cl)c1 ZINC001236807543 1038281250 /nfs/dbraw/zinc/28/12/50/1038281250.db2.gz HJPGYWNLRXDVLL-UHFFFAOYSA-N 1 2 369.252 2.820 20 10 FFCDLO Cc1cc(O)c(C[N@@H+]2CCN[C@H](C(F)(F)F)C2)cc1Br ZINC001236997347 1038403130 /nfs/dbraw/zinc/40/31/30/1038403130.db2.gz UITLZSXGGQSJQL-LBPRGKRZSA-N 1 2 353.182 2.799 20 10 FFCDLO Cc1cc(O)c(C[N@H+]2CCN[C@H](C(F)(F)F)C2)cc1Br ZINC001236997347 1038403135 /nfs/dbraw/zinc/40/31/35/1038403135.db2.gz UITLZSXGGQSJQL-LBPRGKRZSA-N 1 2 353.182 2.799 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCCC3(C2)OCCO3)c(Br)c1 ZINC001237071634 1038435666 /nfs/dbraw/zinc/43/56/66/1038435666.db2.gz VDCLMYMNCGMSMZ-UHFFFAOYSA-N 1 2 358.232 2.502 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCCC3(C2)OCCO3)c(Br)c1 ZINC001237071634 1038435669 /nfs/dbraw/zinc/43/56/69/1038435669.db2.gz VDCLMYMNCGMSMZ-UHFFFAOYSA-N 1 2 358.232 2.502 20 10 FFCDLO COC(=O)[C@@H]1COCCC12C[NH+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237085040 1038439860 /nfs/dbraw/zinc/43/98/60/1038439860.db2.gz SGWOPVTWDJVUBW-NSHDSACASA-N 1 2 360.237 2.711 20 10 FFCDLO COC[C@@H]1Cn2nccc2C[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237110259 1038446503 /nfs/dbraw/zinc/44/65/03/1038446503.db2.gz BTYBCWVVSKZNID-LBPRGKRZSA-N 1 2 371.359 2.766 20 10 FFCDLO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237110259 1038446507 /nfs/dbraw/zinc/44/65/07/1038446507.db2.gz BTYBCWVVSKZNID-LBPRGKRZSA-N 1 2 371.359 2.766 20 10 FFCDLO COc1cccc(CN2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1O ZINC001278563315 1041182256 /nfs/dbraw/zinc/18/22/56/1041182256.db2.gz VYTWGUSXFLYRSR-GASCZTMLSA-N 1 2 374.403 2.628 20 10 FFCDLO COc1cccc(CN2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1O ZINC001278563315 1041182261 /nfs/dbraw/zinc/18/22/61/1041182261.db2.gz VYTWGUSXFLYRSR-GASCZTMLSA-N 1 2 374.403 2.628 20 10 FFCDLO Cc1noc(C)c1NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001279197342 1042942062 /nfs/dbraw/zinc/94/20/62/1042942062.db2.gz RSSSYJUKCOALFK-GASCZTMLSA-N 1 2 360.389 2.627 20 10 FFCDLO Cc1noc(C)c1NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001279197342 1042942068 /nfs/dbraw/zinc/94/20/68/1042942068.db2.gz RSSSYJUKCOALFK-GASCZTMLSA-N 1 2 360.389 2.627 20 10 FFCDLO O=c1cccc(CN2CC3(C2)CC[NH+](Cc2c(O)cccc2F)CC3)[nH]1 ZINC001279421985 1043095363 /nfs/dbraw/zinc/09/53/63/1043095363.db2.gz UFNRSSMYEIGHBH-UHFFFAOYSA-N 1 2 357.429 2.730 20 10 FFCDLO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237623376 1043279839 /nfs/dbraw/zinc/27/98/39/1043279839.db2.gz CTXLTFPMYSGGAH-CQSZACIVSA-N 1 2 358.841 2.644 20 10 FFCDLO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237623376 1043279846 /nfs/dbraw/zinc/27/98/46/1043279846.db2.gz CTXLTFPMYSGGAH-CQSZACIVSA-N 1 2 358.841 2.644 20 10 FFCDLO O=S(=O)(Nc1cccc(N2CC[NH2+]CC2)c1)c1cccc(Cl)c1F ZINC001237744386 1043335778 /nfs/dbraw/zinc/33/57/78/1043335778.db2.gz AGKDNEJOZXBEKX-UHFFFAOYSA-N 1 2 369.849 2.690 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1)N1CCCC1 ZINC001237803942 1043368009 /nfs/dbraw/zinc/36/80/09/1043368009.db2.gz WSQJKZBXNLUUBW-UHFFFAOYSA-N 1 2 355.841 2.955 20 10 FFCDLO Cc1noc(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2ccc(N(C)C)cc2)c1C ZINC001279744733 1043575986 /nfs/dbraw/zinc/57/59/86/1043575986.db2.gz VFSFNLUEEIVJRB-UZLBHIALSA-N 1 2 354.454 2.961 20 10 FFCDLO Cc1noc(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2ccc(N(C)C)cc2)c1C ZINC001279744733 1043575988 /nfs/dbraw/zinc/57/59/88/1043575988.db2.gz VFSFNLUEEIVJRB-UZLBHIALSA-N 1 2 354.454 2.961 20 10 FFCDLO COC[C@H]1CN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CC[NH2+]1 ZINC001238986434 1043975319 /nfs/dbraw/zinc/97/53/19/1043975319.db2.gz PPALXCREFNTBFM-SGRLSNSRSA-N 1 2 374.466 2.711 20 10 FFCDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)no1 ZINC001323443664 1045592371 /nfs/dbraw/zinc/59/23/71/1045592371.db2.gz GDMCVSAZCBLKGX-UHFFFAOYSA-N 1 2 367.808 2.876 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N(CC(C)C)C3CC3)CC2)cc1 ZINC001323178504 1046374063 /nfs/dbraw/zinc/37/40/63/1046374063.db2.gz WTBWZRNISDOCEL-UHFFFAOYSA-N 1 2 359.514 2.854 20 10 FFCDLO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC001461984094 1061471430 /nfs/dbraw/zinc/47/14/30/1061471430.db2.gz RRCPIWWBRXCVCT-UHFFFAOYSA-N 1 2 362.405 2.997 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001462421545 1061616861 /nfs/dbraw/zinc/61/68/61/1061616861.db2.gz OXZKSPMZHIKYTD-VHSXEESVSA-N 1 2 353.287 2.844 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001462421545 1061616867 /nfs/dbraw/zinc/61/68/67/1061616867.db2.gz OXZKSPMZHIKYTD-VHSXEESVSA-N 1 2 353.287 2.844 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001474510530 1065540842 /nfs/dbraw/zinc/54/08/42/1065540842.db2.gz KPXQGPYAZZUERB-ZIAGYGMSSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001474510530 1065540855 /nfs/dbraw/zinc/54/08/55/1065540855.db2.gz KPXQGPYAZZUERB-ZIAGYGMSSA-N 1 2 370.396 2.540 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC001560083358 1076224097 /nfs/dbraw/zinc/22/40/97/1076224097.db2.gz VEZQDDJBJAQDTB-UHFFFAOYSA-N 1 2 357.410 2.934 20 10 FFCDLO COC(=O)c1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)s1 ZINC001560873582 1076305430 /nfs/dbraw/zinc/30/54/30/1076305430.db2.gz UIIOGLXCJVRQHW-UHFFFAOYSA-N 1 2 368.405 2.841 20 10 FFCDLO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001589836940 1080787871 /nfs/dbraw/zinc/78/78/71/1080787871.db2.gz RAGXAOLYIRHOMB-OLZOCXBDSA-N 1 2 353.426 2.950 20 10 FFCDLO C[C@H]([NH2+]CCCOCc1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589960884 1080904431 /nfs/dbraw/zinc/90/44/31/1080904431.db2.gz JREWKIGSMNIKPX-AWEZNQCLSA-N 1 2 353.426 2.830 20 10 FFCDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)n[nH]1 ZINC000271402149 511191601 /nfs/dbraw/zinc/19/16/01/511191601.db2.gz VYSCXBVWGQLJNT-LLVKDONJSA-N 1 2 351.248 2.961 20 10 FFCDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)n[nH]1 ZINC000271402149 511191604 /nfs/dbraw/zinc/19/16/04/511191604.db2.gz VYSCXBVWGQLJNT-LLVKDONJSA-N 1 2 351.248 2.961 20 10 FFCDLO CN(C)c1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1F ZINC000058558324 507436297 /nfs/dbraw/zinc/43/62/97/507436297.db2.gz ADROIDGTIDXRGI-UHFFFAOYSA-N 1 2 371.460 2.886 20 10 FFCDLO COc1cccc(CNC(=O)NCCCn2c(C)[nH+]c3ccccc32)c1O ZINC000073499589 507926572 /nfs/dbraw/zinc/92/65/72/507926572.db2.gz XSDITYXBNCTSNV-UHFFFAOYSA-N 1 2 368.437 2.948 20 10 FFCDLO CN(C)c1ccc(CNC(=O)NCCc2cn3ccccc3[nH+]2)cc1F ZINC000109453794 507964307 /nfs/dbraw/zinc/96/43/07/507964307.db2.gz BXJODOIXOQXSJM-UHFFFAOYSA-N 1 2 355.417 2.581 20 10 FFCDLO OC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000179953954 509687956 /nfs/dbraw/zinc/68/79/56/509687956.db2.gz SZBXXPYMKDWNHQ-MRVPVSSYSA-N 1 2 365.065 2.731 20 10 FFCDLO OC[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000179953954 509687948 /nfs/dbraw/zinc/68/79/48/509687948.db2.gz SZBXXPYMKDWNHQ-MRVPVSSYSA-N 1 2 365.065 2.731 20 10 FFCDLO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1O ZINC000187920128 510501039 /nfs/dbraw/zinc/50/10/39/510501039.db2.gz IQNRGSVCCCDDAL-NSHDSACASA-N 1 2 367.371 2.892 20 10 FFCDLO CN(C)c1ccc(CNc2[nH+]cnc3c2c(Br)nn3C)cc1 ZINC000263644037 510764745 /nfs/dbraw/zinc/76/47/45/510764745.db2.gz DMNOMPGANLRFFT-UHFFFAOYSA-N 1 2 361.247 2.804 20 10 FFCDLO Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)nc(N2CCCC2)n1 ZINC000293863230 510878351 /nfs/dbraw/zinc/87/83/51/510878351.db2.gz XWVHJAFDXWOGMZ-ZDUSSCGKSA-N 1 2 357.414 2.850 20 10 FFCDLO C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000276863358 510948531 /nfs/dbraw/zinc/94/85/31/510948531.db2.gz CXPAHJXESJQDLV-RTHLEPHNSA-N 1 2 365.302 2.505 20 10 FFCDLO CCCOc1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c(O)c1 ZINC000271070678 511074857 /nfs/dbraw/zinc/07/48/57/511074857.db2.gz MVAWTRBZSZDAAC-UHFFFAOYSA-N 1 2 355.438 2.534 20 10 FFCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000294512373 511089423 /nfs/dbraw/zinc/08/94/23/511089423.db2.gz DIVFMUMWWZYSNW-UHFFFAOYSA-N 1 2 374.506 2.559 20 10 FFCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000294512373 511089426 /nfs/dbraw/zinc/08/94/26/511089426.db2.gz DIVFMUMWWZYSNW-UHFFFAOYSA-N 1 2 374.506 2.559 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)NCCc3cn(C)c[nH+]3)ccc21 ZINC000457870292 516201319 /nfs/dbraw/zinc/20/13/19/516201319.db2.gz YSRZGLIPNFTXCX-UHFFFAOYSA-N 1 2 354.454 2.611 20 10 FFCDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000153994389 728793403 /nfs/dbraw/zinc/79/34/03/728793403.db2.gz LFDCZUAKZVRMJS-LBPRGKRZSA-N 1 2 357.248 2.865 20 10 FFCDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000153994389 728793405 /nfs/dbraw/zinc/79/34/05/728793405.db2.gz LFDCZUAKZVRMJS-LBPRGKRZSA-N 1 2 357.248 2.865 20 10 FFCDLO CCc1nsc(N2CCC[N@H+](Cc3ccc(F)c(F)c3O)CC2)n1 ZINC000876797165 732282186 /nfs/dbraw/zinc/28/21/86/732282186.db2.gz NUOCZJQFTLNNNK-UHFFFAOYSA-N 1 2 354.426 2.797 20 10 FFCDLO CCc1nsc(N2CCC[N@@H+](Cc3ccc(F)c(F)c3O)CC2)n1 ZINC000876797165 732282190 /nfs/dbraw/zinc/28/21/90/732282190.db2.gz NUOCZJQFTLNNNK-UHFFFAOYSA-N 1 2 354.426 2.797 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000781906606 738670211 /nfs/dbraw/zinc/67/02/11/738670211.db2.gz ZSBPUMKCMYIVGL-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000781910352 738671580 /nfs/dbraw/zinc/67/15/80/738671580.db2.gz UPZNCTKCGAIAEC-LSDHHAIUSA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000781910352 738671584 /nfs/dbraw/zinc/67/15/84/738671584.db2.gz UPZNCTKCGAIAEC-LSDHHAIUSA-N 1 2 356.260 2.843 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)c(F)cc1O ZINC000927147848 738696802 /nfs/dbraw/zinc/69/68/02/738696802.db2.gz TYFDXLDWQHYSSI-BDAKNGLRSA-N 1 2 369.238 2.630 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCNc1ncccn1 ZINC000883031308 733324015 /nfs/dbraw/zinc/32/40/15/733324015.db2.gz RDJQIIDDWRQMRJ-UHFFFAOYSA-N 1 2 355.211 2.676 20 10 FFCDLO COC1([C@H](C)[NH2+]Cc2cc(Br)cc(F)c2O)CCOCC1 ZINC000883148006 733342282 /nfs/dbraw/zinc/34/22/82/733342282.db2.gz QLBGLNUYBGFQNH-JTQLQIEISA-N 1 2 362.239 2.968 20 10 FFCDLO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883197995 733349768 /nfs/dbraw/zinc/34/97/68/733349768.db2.gz XKCCISJZANHCFL-UHFFFAOYSA-N 1 2 356.413 2.566 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729286395 734569374 /nfs/dbraw/zinc/56/93/74/734569374.db2.gz PBRMCKCNWZZGMH-HZPDHXFCSA-N 1 2 361.511 2.995 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1)C1CC1 ZINC000893918771 734771569 /nfs/dbraw/zinc/77/15/69/734771569.db2.gz FTERIAGXPKYELA-UHFFFAOYSA-N 1 2 371.250 2.784 20 10 FFCDLO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000895614506 735032485 /nfs/dbraw/zinc/03/24/85/735032485.db2.gz OYHLONMIOCVJJK-UHFFFAOYSA-N 1 2 364.870 2.525 20 10 FFCDLO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756456753 736333196 /nfs/dbraw/zinc/33/31/96/736333196.db2.gz OGAGWPXJJOKZFN-LBPRGKRZSA-N 1 2 355.406 2.936 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000800534597 740532384 /nfs/dbraw/zinc/53/23/84/740532384.db2.gz PZRBBNIDAIMXKB-CYBMUJFWSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000800534597 740532386 /nfs/dbraw/zinc/53/23/86/740532386.db2.gz PZRBBNIDAIMXKB-CYBMUJFWSA-N 1 2 362.289 2.554 20 10 FFCDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000775100170 738061782 /nfs/dbraw/zinc/06/17/82/738061782.db2.gz BAHUSRPDVPMMQB-ZDUSSCGKSA-N 1 2 352.387 2.615 20 10 FFCDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000775100170 738061784 /nfs/dbraw/zinc/06/17/84/738061784.db2.gz BAHUSRPDVPMMQB-ZDUSSCGKSA-N 1 2 352.387 2.615 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)Cc1cc(OC)ccc1O ZINC000775686528 738112950 /nfs/dbraw/zinc/11/29/50/738112950.db2.gz IVEIPEWQWBKTNL-UHFFFAOYSA-N 1 2 365.813 2.935 20 10 FFCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)Cc1cc(OC)ccc1O ZINC000775686528 738112952 /nfs/dbraw/zinc/11/29/52/738112952.db2.gz IVEIPEWQWBKTNL-UHFFFAOYSA-N 1 2 365.813 2.935 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC000789329825 739338447 /nfs/dbraw/zinc/33/84/47/739338447.db2.gz BFXOIAGXHPGAHA-UHFFFAOYSA-N 1 2 354.878 2.791 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC000789329825 739338452 /nfs/dbraw/zinc/33/84/52/739338452.db2.gz BFXOIAGXHPGAHA-UHFFFAOYSA-N 1 2 354.878 2.791 20 10 FFCDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(Br)c1O)C[C@@H](C)O2 ZINC000790930622 739515183 /nfs/dbraw/zinc/51/51/83/739515183.db2.gz BETHSBFCZJFEBG-BFQNTYOBSA-N 1 2 356.260 2.923 20 10 FFCDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Br)c1O)C[C@@H](C)O2 ZINC000790930622 739515185 /nfs/dbraw/zinc/51/51/85/739515185.db2.gz BETHSBFCZJFEBG-BFQNTYOBSA-N 1 2 356.260 2.923 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nnnn1C1CC1 ZINC000793184609 739749322 /nfs/dbraw/zinc/74/93/22/739749322.db2.gz FMEMGQBOWSDCMH-JTQLQIEISA-N 1 2 354.380 2.944 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cc(Br)cc(F)c1O ZINC000795830280 740068512 /nfs/dbraw/zinc/06/85/12/740068512.db2.gz VAZSDUWONNHXHV-AXFHLTTASA-N 1 2 362.239 2.589 20 10 FFCDLO COC[C@]1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CCC[NH2+]1 ZINC000817973077 742225644 /nfs/dbraw/zinc/22/56/44/742225644.db2.gz BNXRSDQAKUJWHR-MEBBXXQBSA-N 1 2 361.255 2.713 20 10 FFCDLO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000824738915 743139416 /nfs/dbraw/zinc/13/94/16/743139416.db2.gz SEWSIHZIQDMYNA-UHFFFAOYSA-N 1 2 354.859 2.586 20 10 FFCDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000825774578 743325133 /nfs/dbraw/zinc/32/51/33/743325133.db2.gz YRLAJUVMWGZLGC-ZDUSSCGKSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000825774578 743325137 /nfs/dbraw/zinc/32/51/37/743325137.db2.gz YRLAJUVMWGZLGC-ZDUSSCGKSA-N 1 2 362.289 2.554 20 10 FFCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000827538914 743597539 /nfs/dbraw/zinc/59/75/39/743597539.db2.gz VXPZDZXFRPRVOL-IAGOWNOFSA-N 1 2 354.853 2.918 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1O ZINC000839579148 746860803 /nfs/dbraw/zinc/86/08/03/746860803.db2.gz SYVRVSGIUNAGGX-QGZVFWFLSA-N 1 2 363.845 2.917 20 10 FFCDLO CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000841043955 747260696 /nfs/dbraw/zinc/26/06/96/747260696.db2.gz RTFADWOERZXMKU-OAHLLOKOSA-N 1 2 364.833 2.809 20 10 FFCDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)C1(O)CCOCC1 ZINC000841890300 747482521 /nfs/dbraw/zinc/48/25/21/747482521.db2.gz MLSFWNMWAYTHAI-UHFFFAOYSA-N 1 2 358.276 2.812 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cn(C[C@H]3CCOC3)nn2)cc1 ZINC000876551095 1014299641 /nfs/dbraw/zinc/29/96/41/1014299641.db2.gz KBEMPYRLCVMUAL-GOSISDBHSA-N 1 2 357.502 2.793 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn(C[C@H]3CCOC3)nn2)cc1 ZINC000876551095 1014299647 /nfs/dbraw/zinc/29/96/47/1014299647.db2.gz KBEMPYRLCVMUAL-GOSISDBHSA-N 1 2 357.502 2.793 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2O)CCCO1 ZINC000877578485 1014633255 /nfs/dbraw/zinc/63/32/55/1014633255.db2.gz GCRXLOWTHMOLOQ-CYBMUJFWSA-N 1 2 372.412 2.786 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)CCCO1 ZINC000877578485 1014633257 /nfs/dbraw/zinc/63/32/57/1014633257.db2.gz GCRXLOWTHMOLOQ-CYBMUJFWSA-N 1 2 372.412 2.786 20 10 FFCDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142520507 982527016 /nfs/dbraw/zinc/52/70/16/982527016.db2.gz KZVRFTAGHYOSJF-UHFFFAOYSA-N 1 2 365.428 2.508 20 10 FFCDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142520507 982527031 /nfs/dbraw/zinc/52/70/31/982527031.db2.gz KZVRFTAGHYOSJF-UHFFFAOYSA-N 1 2 365.428 2.508 20 10 FFCDLO Nc1ccc(CC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000237891301 982786641 /nfs/dbraw/zinc/78/66/41/982786641.db2.gz KSYZOJORSOJYKV-UHFFFAOYSA-N 1 2 373.884 2.688 20 10 FFCDLO Oc1cccc(F)c1C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001137839079 990545259 /nfs/dbraw/zinc/54/52/59/990545259.db2.gz QLYYIFHCHQTGPD-UHFFFAOYSA-N 1 2 356.323 2.662 20 10 FFCDLO CONC(=O)C1CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000879923660 1015709550 /nfs/dbraw/zinc/70/95/50/1015709550.db2.gz XFOFQWPMVFKVFU-UHFFFAOYSA-N 1 2 369.465 2.666 20 10 FFCDLO COc1ccc(N(C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000844353472 997823403 /nfs/dbraw/zinc/82/34/03/997823403.db2.gz OXUAPRHGIXCSHT-UHFFFAOYSA-N 1 2 369.465 2.602 20 10 FFCDLO CC(=O)N1CCN(c2ccc(CNc3[nH+]c(C)nc4[nH]ccc43)cc2)CC1 ZINC000786066328 1001519062 /nfs/dbraw/zinc/51/90/62/1001519062.db2.gz FDVDXJFCQRBYIS-UHFFFAOYSA-N 1 2 364.453 2.547 20 10 FFCDLO COc1c(O)c(CN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000774813237 1002792785 /nfs/dbraw/zinc/79/27/85/1002792785.db2.gz DERNYDICVOUBPD-UHFFFAOYSA-N 1 2 357.410 2.627 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000774903978 1003005728 /nfs/dbraw/zinc/00/57/28/1003005728.db2.gz OQXUELBZPLOIGF-FQEVSTJZSA-N 1 2 370.405 2.983 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000774903978 1003005740 /nfs/dbraw/zinc/00/57/40/1003005740.db2.gz OQXUELBZPLOIGF-FQEVSTJZSA-N 1 2 370.405 2.983 20 10 FFCDLO COc1c(O)c(C[NH2+]Cc2nc3cc(F)ccc3n2C)ccc1[N+](=O)[O-] ZINC000775026235 1003337873 /nfs/dbraw/zinc/33/78/73/1003337873.db2.gz ZURNDNYDYYYCCT-UHFFFAOYSA-N 1 2 360.345 2.625 20 10 FFCDLO CCOc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000776017564 1005010529 /nfs/dbraw/zinc/01/05/29/1005010529.db2.gz OMUQQUXARBMLLI-INIZCTEOSA-N 1 2 366.458 2.516 20 10 FFCDLO CCOc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000776017564 1005010535 /nfs/dbraw/zinc/01/05/35/1005010535.db2.gz OMUQQUXARBMLLI-INIZCTEOSA-N 1 2 366.458 2.516 20 10 FFCDLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000853233098 1006343427 /nfs/dbraw/zinc/34/34/27/1006343427.db2.gz MQBPQZSRBRKOMK-OAHLLOKOSA-N 1 2 355.438 2.807 20 10 FFCDLO COC(=O)N1CCN(c2ccc(N[C@@H](C)c3ccccc3O)c[nH+]2)CC1 ZINC000815655381 1006740590 /nfs/dbraw/zinc/74/05/90/1006740590.db2.gz QNSSKOXEXISWRD-AWEZNQCLSA-N 1 2 356.426 2.849 20 10 FFCDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001206243780 1032197910 /nfs/dbraw/zinc/19/79/10/1032197910.db2.gz GBULMKPUYNBVGP-OAHLLOKOSA-N 1 2 363.811 2.642 20 10 FFCDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001206243780 1032197914 /nfs/dbraw/zinc/19/79/14/1032197914.db2.gz GBULMKPUYNBVGP-OAHLLOKOSA-N 1 2 363.811 2.642 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000858512696 1008372455 /nfs/dbraw/zinc/37/24/55/1008372455.db2.gz DQERGNLEWLCULG-CQSZACIVSA-N 1 2 350.422 2.922 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000821066416 1008412187 /nfs/dbraw/zinc/41/21/87/1008412187.db2.gz YAEQMKHZPQPOBP-IFXJQAMLSA-N 1 2 370.449 2.861 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000821066416 1008412189 /nfs/dbraw/zinc/41/21/89/1008412189.db2.gz YAEQMKHZPQPOBP-IFXJQAMLSA-N 1 2 370.449 2.861 20 10 FFCDLO COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000859561833 1008561343 /nfs/dbraw/zinc/56/13/43/1008561343.db2.gz OWBMIBVJPKWPSJ-OAQYLSRUSA-N 1 2 370.449 2.541 20 10 FFCDLO COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000859561833 1008561355 /nfs/dbraw/zinc/56/13/55/1008561355.db2.gz OWBMIBVJPKWPSJ-OAQYLSRUSA-N 1 2 370.449 2.541 20 10 FFCDLO Cc1cc(NCCNC(=O)/C=C\c2ccc(O)c(O)c2)nc(C(C)C)[nH+]1 ZINC000862860723 1010019649 /nfs/dbraw/zinc/01/96/49/1010019649.db2.gz MFLJZCGOAPZDPZ-ALCCZGGFSA-N 1 2 356.426 2.561 20 10 FFCDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000868162223 1011186514 /nfs/dbraw/zinc/18/65/14/1011186514.db2.gz FYXLCWHUNUHESR-LJQANCHMSA-N 1 2 354.454 2.600 20 10 FFCDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000868162223 1011186517 /nfs/dbraw/zinc/18/65/17/1011186517.db2.gz FYXLCWHUNUHESR-LJQANCHMSA-N 1 2 354.454 2.600 20 10 FFCDLO Cc1cncc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)c1 ZINC001217056807 1032599115 /nfs/dbraw/zinc/59/91/15/1032599115.db2.gz QXWPJWSSIPKASJ-UHFFFAOYSA-N 1 2 352.394 2.645 20 10 FFCDLO C[C@H](C(=O)N1Cc2cccc(O)c2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000871202712 1012782813 /nfs/dbraw/zinc/78/28/13/1012782813.db2.gz MARHTBZEPRBLER-OAHLLOKOSA-N 1 2 369.440 2.584 20 10 FFCDLO C[C@@H]1CN(c2ccc(CNC(=O)CCCn3cc[nH+]c3)cc2F)C[C@@H](C)O1 ZINC000748625377 1017452819 /nfs/dbraw/zinc/45/28/19/1017452819.db2.gz ZPPMPPSUDHBFIP-HZPDHXFCSA-N 1 2 374.460 2.732 20 10 FFCDLO CC(C)OCc1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000929972736 1019784755 /nfs/dbraw/zinc/78/47/55/1019784755.db2.gz UHCPUWXBYLJQAW-INIZCTEOSA-N 1 2 361.442 2.881 20 10 FFCDLO CC(C)OCc1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000929972736 1019784767 /nfs/dbraw/zinc/78/47/67/1019784767.db2.gz UHCPUWXBYLJQAW-INIZCTEOSA-N 1 2 361.442 2.881 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CCOCCO)c(C)n1-c1cc(C)cc(C)c1 ZINC000800507857 1020367768 /nfs/dbraw/zinc/36/77/68/1020367768.db2.gz BCROBFOJYKFMPC-UHFFFAOYSA-N 1 2 358.482 2.834 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CCOCCO)c(C)n1-c1cc(C)cc(C)c1 ZINC000800507857 1020367780 /nfs/dbraw/zinc/36/77/80/1020367780.db2.gz BCROBFOJYKFMPC-UHFFFAOYSA-N 1 2 358.482 2.834 20 10 FFCDLO O=C1c2cccc(O[C@@H]3CC[NH2+]CC3(F)F)c2C(=O)c2cccc(O)c21 ZINC001218004770 1032943704 /nfs/dbraw/zinc/94/37/04/1032943704.db2.gz CAJYWTUWTUTKGA-CQSZACIVSA-N 1 2 359.328 2.544 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCOC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000749841498 1021052430 /nfs/dbraw/zinc/05/24/30/1021052430.db2.gz ZIHJFFLNYPUOFO-QGZVFWFLSA-N 1 2 370.449 2.769 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCOC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000749841498 1021052434 /nfs/dbraw/zinc/05/24/34/1021052434.db2.gz ZIHJFFLNYPUOFO-QGZVFWFLSA-N 1 2 370.449 2.769 20 10 FFCDLO O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O[C@@H]3CCC[NH2+]C3)c12 ZINC001218282859 1033086379 /nfs/dbraw/zinc/08/63/79/1033086379.db2.gz BVNFBIGHANGDGC-CYBMUJFWSA-N 1 2 369.373 2.708 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC000756802029 1023756014 /nfs/dbraw/zinc/75/60/14/1023756014.db2.gz OYRCUMIDEPEEBW-ZDUSSCGKSA-N 1 2 357.410 2.584 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000078511334 1023862270 /nfs/dbraw/zinc/86/22/70/1023862270.db2.gz CAMGNSURHDEVJA-QZTJIDSGSA-N 1 2 355.482 2.933 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC(C)(O)CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000759769234 1024776537 /nfs/dbraw/zinc/77/65/37/1024776537.db2.gz XTKVDKSGJKTLAL-UHFFFAOYSA-N 1 2 370.449 2.852 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCC(C)CC3)CC2)cc1F ZINC000084866768 1025152369 /nfs/dbraw/zinc/15/23/69/1025152369.db2.gz NQAJQPHHURVBPY-MRXNPFEDSA-N 1 2 363.477 2.603 20 10 FFCDLO Cc1cc(C)c(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(C)[nH+]1 ZINC000839486792 1026697288 /nfs/dbraw/zinc/69/72/88/1026697288.db2.gz SAQOFXBDTTZIOJ-UHFFFAOYSA-N 1 2 364.449 2.638 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCNc1cccc[nH+]1 ZINC000840242948 1027016418 /nfs/dbraw/zinc/01/64/18/1027016418.db2.gz FHONJUIWGISADP-INIZCTEOSA-N 1 2 355.486 2.798 20 10 FFCDLO COc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c1O ZINC001203590023 1030772471 /nfs/dbraw/zinc/77/24/71/1030772471.db2.gz RATRHLUTORDDRA-AWEZNQCLSA-N 1 2 354.422 2.792 20 10 FFCDLO COc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c1O ZINC001203590023 1030772492 /nfs/dbraw/zinc/77/24/92/1030772492.db2.gz RATRHLUTORDDRA-AWEZNQCLSA-N 1 2 354.422 2.792 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001203657391 1030810491 /nfs/dbraw/zinc/81/04/91/1030810491.db2.gz DGVYWGKCSGFICM-CQSZACIVSA-N 1 2 357.845 2.771 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001203657391 1030810515 /nfs/dbraw/zinc/81/05/15/1030810515.db2.gz DGVYWGKCSGFICM-CQSZACIVSA-N 1 2 357.845 2.771 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(CC3CC3)c21 ZINC001203931966 1030989841 /nfs/dbraw/zinc/98/98/41/1030989841.db2.gz ZLUYABMCBMIBHR-GOSISDBHSA-N 1 2 369.513 2.890 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2nnn(CC3CC3)c21 ZINC001203931966 1030989855 /nfs/dbraw/zinc/98/98/55/1030989855.db2.gz ZLUYABMCBMIBHR-GOSISDBHSA-N 1 2 369.513 2.890 20 10 FFCDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(O)c1 ZINC001204220229 1031170676 /nfs/dbraw/zinc/17/06/76/1031170676.db2.gz BOAKYMNJDZMSFL-UHFFFAOYSA-N 1 2 374.506 2.824 20 10 FFCDLO COc1cc(C[N@@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)cc(O)c1O ZINC001204346154 1031243628 /nfs/dbraw/zinc/24/36/28/1031243628.db2.gz FKKGBWYJKKYFKL-UHFFFAOYSA-N 1 2 364.442 2.692 20 10 FFCDLO COc1cc(C[N@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)cc(O)c1O ZINC001204346154 1031243640 /nfs/dbraw/zinc/24/36/40/1031243640.db2.gz FKKGBWYJKKYFKL-UHFFFAOYSA-N 1 2 364.442 2.692 20 10 FFCDLO Nc1ccc(CC(=O)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)cc1 ZINC001219459755 1033656520 /nfs/dbraw/zinc/65/65/20/1033656520.db2.gz LTQIGKRRSLBZGU-KRWDZBQOSA-N 1 2 361.392 2.826 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001138127409 1033808596 /nfs/dbraw/zinc/80/85/96/1033808596.db2.gz ZYWYJHDAOHUDDF-ZTFGCOKTSA-N 1 2 358.413 2.985 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001138127409 1033808612 /nfs/dbraw/zinc/80/86/12/1033808612.db2.gz ZYWYJHDAOHUDDF-ZTFGCOKTSA-N 1 2 358.413 2.985 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)Cc2nnn(CC)c21 ZINC001138354893 1034190360 /nfs/dbraw/zinc/19/03/60/1034190360.db2.gz BSSMQGSWWBNXRG-SFHVURJKSA-N 1 2 369.513 2.816 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)Cc2nnn(CC)c21 ZINC001138354893 1034190369 /nfs/dbraw/zinc/19/03/69/1034190369.db2.gz BSSMQGSWWBNXRG-SFHVURJKSA-N 1 2 369.513 2.816 20 10 FFCDLO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139128395 1034958811 /nfs/dbraw/zinc/95/88/11/1034958811.db2.gz SUTRCMUDIVPEND-OAQYLSRUSA-N 1 2 370.449 2.784 20 10 FFCDLO CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139128395 1034958814 /nfs/dbraw/zinc/95/88/14/1034958814.db2.gz SUTRCMUDIVPEND-OAQYLSRUSA-N 1 2 370.449 2.784 20 10 FFCDLO Cc1nnc([C@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)o1 ZINC001139131026 1034959799 /nfs/dbraw/zinc/95/97/99/1034959799.db2.gz LVYCARPSNDBQNF-ZDUSSCGKSA-N 1 2 355.394 2.878 20 10 FFCDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)o1 ZINC001139131026 1034959806 /nfs/dbraw/zinc/95/98/06/1034959806.db2.gz LVYCARPSNDBQNF-ZDUSSCGKSA-N 1 2 355.394 2.878 20 10 FFCDLO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139132690 1034959840 /nfs/dbraw/zinc/95/98/40/1034959840.db2.gz ZGRFAYBAJFTRCP-MJBXVCDLSA-N 1 2 357.406 2.581 20 10 FFCDLO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139132690 1034959848 /nfs/dbraw/zinc/95/98/48/1034959848.db2.gz ZGRFAYBAJFTRCP-MJBXVCDLSA-N 1 2 357.406 2.581 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001139133842 1034962260 /nfs/dbraw/zinc/96/22/60/1034962260.db2.gz SSHSDSVGNRRVQJ-AWEZNQCLSA-N 1 2 367.405 2.640 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001139133842 1034962267 /nfs/dbraw/zinc/96/22/67/1034962267.db2.gz SSHSDSVGNRRVQJ-AWEZNQCLSA-N 1 2 367.405 2.640 20 10 FFCDLO Oc1cc(Cl)ccc1C[N@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001140464910 1035485174 /nfs/dbraw/zinc/48/51/74/1035485174.db2.gz DPNFNOUJIQCODM-AWEZNQCLSA-N 1 2 357.845 2.771 20 10 FFCDLO Oc1cc(Cl)ccc1C[N@@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001140464910 1035485178 /nfs/dbraw/zinc/48/51/78/1035485178.db2.gz DPNFNOUJIQCODM-AWEZNQCLSA-N 1 2 357.845 2.771 20 10 FFCDLO O=C1CO[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)CN1C1CCCC1 ZINC001277231899 1035673848 /nfs/dbraw/zinc/67/38/48/1035673848.db2.gz HNOPEWZXKCGMRC-IBGZPJMESA-N 1 2 364.873 2.792 20 10 FFCDLO O=C1CO[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)CN1C1CCCC1 ZINC001277231899 1035673856 /nfs/dbraw/zinc/67/38/56/1035673856.db2.gz HNOPEWZXKCGMRC-IBGZPJMESA-N 1 2 364.873 2.792 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc(Cl)ncc3O)CC2)c(OC)c1 ZINC001233038637 1036281869 /nfs/dbraw/zinc/28/18/69/1036281869.db2.gz XUEGSNDJHYBAHW-UHFFFAOYSA-N 1 2 363.845 2.780 20 10 FFCDLO Oc1c(F)c(F)ccc1CN1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001233074535 1036320760 /nfs/dbraw/zinc/32/07/60/1036320760.db2.gz KHGVJXLITVTNGE-UHFFFAOYSA-N 1 2 362.424 2.869 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(CC(=O)OC(C)(C)C)CC2)c(Cl)c1 ZINC001140924190 1036463223 /nfs/dbraw/zinc/46/32/23/1036463223.db2.gz OFOUQMMQWFQJTL-UHFFFAOYSA-N 1 2 367.921 2.865 20 10 FFCDLO COC[C@H]1Cn2nccc2C[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418201 1036611277 /nfs/dbraw/zinc/61/12/77/1036611277.db2.gz XMMHPIDAHWMBLU-GFCCVEGCSA-N 1 2 355.360 2.886 20 10 FFCDLO COC[C@H]1Cn2nccc2C[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418201 1036611285 /nfs/dbraw/zinc/61/12/85/1036611285.db2.gz XMMHPIDAHWMBLU-GFCCVEGCSA-N 1 2 355.360 2.886 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387069 1036671740 /nfs/dbraw/zinc/67/17/40/1036671740.db2.gz DTLBAQWXAKMKOQ-XIKOKIGWSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387069 1036671744 /nfs/dbraw/zinc/67/17/44/1036671744.db2.gz DTLBAQWXAKMKOQ-XIKOKIGWSA-N 1 2 370.852 2.787 20 10 FFCDLO O=C1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCN1C1CCCC1 ZINC001233754798 1036747456 /nfs/dbraw/zinc/74/74/56/1036747456.db2.gz LLYQKMJCQDSICE-UHFFFAOYSA-N 1 2 358.360 2.878 20 10 FFCDLO O=C1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCN1C1CCCC1 ZINC001233754798 1036747467 /nfs/dbraw/zinc/74/74/67/1036747467.db2.gz LLYQKMJCQDSICE-UHFFFAOYSA-N 1 2 358.360 2.878 20 10 FFCDLO Cc1c(O)cc2c(c1O[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccccc1C2=O ZINC001229828647 1036923147 /nfs/dbraw/zinc/92/31/47/1036923147.db2.gz BMNOEDNRJSCZPD-ZDUSSCGKSA-N 1 2 351.402 2.949 20 10 FFCDLO Cc1c(O)cc2c(c1O[C@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1C2=O ZINC001229828647 1036923154 /nfs/dbraw/zinc/92/31/54/1036923154.db2.gz BMNOEDNRJSCZPD-ZDUSSCGKSA-N 1 2 351.402 2.949 20 10 FFCDLO CCC(=O)NC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235065343 1037337208 /nfs/dbraw/zinc/33/72/08/1037337208.db2.gz PHFHPGHPWVLYSY-UHFFFAOYSA-N 1 2 359.239 2.784 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3cc(C(=O)OC)ccn3)CC2)cc1 ZINC001235209915 1037413291 /nfs/dbraw/zinc/41/32/91/1037413291.db2.gz DPZLDNGPKNSTME-UHFFFAOYSA-N 1 2 355.438 2.589 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3O)CC[C@H]21 ZINC001235306449 1037464146 /nfs/dbraw/zinc/46/41/46/1037464146.db2.gz FQIPEKKVOABUNY-QMTHXVAHSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3O)CC[C@H]21 ZINC001235306449 1037464152 /nfs/dbraw/zinc/46/41/52/1037464152.db2.gz FQIPEKKVOABUNY-QMTHXVAHSA-N 1 2 371.250 2.737 20 10 FFCDLO CC(=O)Nc1ccc(O[C@@H]2CC[N@@H+](C)C2)c2c1C(=O)c1ccccc1C2=O ZINC001231185853 1037495188 /nfs/dbraw/zinc/49/51/88/1037495188.db2.gz WTUPVYHESRFUIJ-CYBMUJFWSA-N 1 2 364.401 2.503 20 10 FFCDLO CC(=O)Nc1ccc(O[C@@H]2CC[N@H+](C)C2)c2c1C(=O)c1ccccc1C2=O ZINC001231185853 1037495194 /nfs/dbraw/zinc/49/51/94/1037495194.db2.gz WTUPVYHESRFUIJ-CYBMUJFWSA-N 1 2 364.401 2.503 20 10 FFCDLO CCOc1ncccc1C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001231765965 1037895736 /nfs/dbraw/zinc/89/57/36/1037895736.db2.gz PPYJEGMAYSAJJI-UHFFFAOYSA-N 1 2 371.481 2.828 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001231851487 1037948983 /nfs/dbraw/zinc/94/89/83/1037948983.db2.gz CQCNHNOBEVWEPU-UHFFFAOYSA-N 1 2 369.465 2.635 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@H+]1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001231851487 1037948990 /nfs/dbraw/zinc/94/89/90/1037948990.db2.gz CQCNHNOBEVWEPU-UHFFFAOYSA-N 1 2 369.465 2.635 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001231854039 1037950778 /nfs/dbraw/zinc/95/07/78/1037950778.db2.gz WUMLPKQIULQPOW-IBGZPJMESA-N 1 2 374.506 2.809 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001231854039 1037950799 /nfs/dbraw/zinc/95/07/99/1037950799.db2.gz WUMLPKQIULQPOW-IBGZPJMESA-N 1 2 374.506 2.809 20 10 FFCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001231911239 1038005179 /nfs/dbraw/zinc/00/51/79/1038005179.db2.gz GVAJGZYIWSSTAM-BEFAXECRSA-N 1 2 360.841 2.968 20 10 FFCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001231911239 1038005193 /nfs/dbraw/zinc/00/51/93/1038005193.db2.gz GVAJGZYIWSSTAM-BEFAXECRSA-N 1 2 360.841 2.968 20 10 FFCDLO O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911755 1038008880 /nfs/dbraw/zinc/00/88/80/1038008880.db2.gz LOAQYXUWPGUGKN-LJQANCHMSA-N 1 2 372.856 2.855 20 10 FFCDLO O=C1N(c2cncnc2)CC[C@@]12CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911755 1038008892 /nfs/dbraw/zinc/00/88/92/1038008892.db2.gz LOAQYXUWPGUGKN-LJQANCHMSA-N 1 2 372.856 2.855 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC12COC2 ZINC001231913232 1038011653 /nfs/dbraw/zinc/01/16/53/1038011653.db2.gz IYMVGUDQQLSFMS-AWEZNQCLSA-N 1 2 368.861 2.771 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC12COC2 ZINC001231913232 1038011677 /nfs/dbraw/zinc/01/16/77/1038011677.db2.gz IYMVGUDQQLSFMS-AWEZNQCLSA-N 1 2 368.861 2.771 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)C1CCOCC1 ZINC001231913549 1038012142 /nfs/dbraw/zinc/01/21/42/1038012142.db2.gz MDZHJEAXUCSMDY-OAHLLOKOSA-N 1 2 352.862 2.553 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)C1CCOCC1 ZINC001231913549 1038012157 /nfs/dbraw/zinc/01/21/57/1038012157.db2.gz MDZHJEAXUCSMDY-OAHLLOKOSA-N 1 2 352.862 2.553 20 10 FFCDLO COc1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(O)cc1Br ZINC001236748167 1038233956 /nfs/dbraw/zinc/23/39/56/1038233956.db2.gz MCDUEAZEDMQFFA-GFCCVEGCSA-N 1 2 370.165 2.662 20 10 FFCDLO COc1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c(O)cc1Br ZINC001236748167 1038233960 /nfs/dbraw/zinc/23/39/60/1038233960.db2.gz MCDUEAZEDMQFFA-GFCCVEGCSA-N 1 2 370.165 2.662 20 10 FFCDLO COc1cc(C)c(C[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)c(O)c1 ZINC001236808792 1038284254 /nfs/dbraw/zinc/28/42/54/1038284254.db2.gz CCZWRVXCFNZVQM-UHFFFAOYSA-N 1 2 367.453 2.556 20 10 FFCDLO COc1cc(C)c(C[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)c(O)c1 ZINC001236808792 1038284259 /nfs/dbraw/zinc/28/42/59/1038284259.db2.gz CCZWRVXCFNZVQM-UHFFFAOYSA-N 1 2 367.453 2.556 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237122120 1038449265 /nfs/dbraw/zinc/44/92/65/1038449265.db2.gz SEQVYDWSXPKLTO-QWRGUYRKSA-N 1 2 374.840 2.645 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256782329 1038620026 /nfs/dbraw/zinc/62/00/26/1038620026.db2.gz MHCDXPTVGZTOGZ-FUHIMQAGSA-N 1 2 371.433 2.692 20 10 FFCDLO COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c(O)cccc2F)CCC1 ZINC001279421425 1043094836 /nfs/dbraw/zinc/09/48/36/1043094836.db2.gz IFEQDDPZVKHXEI-GASCZTMLSA-N 1 2 362.445 2.666 20 10 FFCDLO COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c(O)cccc2F)CCC1 ZINC001279421425 1043094844 /nfs/dbraw/zinc/09/48/44/1043094844.db2.gz IFEQDDPZVKHXEI-GASCZTMLSA-N 1 2 362.445 2.666 20 10 FFCDLO Oc1c(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)cccc1C(F)(F)F ZINC001279505302 1043200483 /nfs/dbraw/zinc/20/04/83/1043200483.db2.gz OGYCFNXQQQNHNL-UHFFFAOYSA-N 1 2 352.360 2.594 20 10 FFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1O ZINC001237679836 1043308068 /nfs/dbraw/zinc/30/80/68/1043308068.db2.gz LSOHPGXRSXXOSD-OAHLLOKOSA-N 1 2 370.877 2.768 20 10 FFCDLO Cc1cc(Cl)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1O ZINC001237679836 1043308074 /nfs/dbraw/zinc/30/80/74/1043308074.db2.gz LSOHPGXRSXXOSD-OAHLLOKOSA-N 1 2 370.877 2.768 20 10 FFCDLO Oc1c(I)cccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001237780561 1043354537 /nfs/dbraw/zinc/35/45/37/1043354537.db2.gz PICBVMANKLAUMC-CQSZACIVSA-N 1 2 359.207 2.752 20 10 FFCDLO Oc1c(I)cccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001237780561 1043354546 /nfs/dbraw/zinc/35/45/46/1043354546.db2.gz PICBVMANKLAUMC-CQSZACIVSA-N 1 2 359.207 2.752 20 10 FFCDLO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)n1 ZINC001237803862 1043368048 /nfs/dbraw/zinc/36/80/48/1043368048.db2.gz VHMFLAMHUJOURF-ZDUSSCGKSA-N 1 2 367.808 2.945 20 10 FFCDLO COc1cc(C)nc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)n1 ZINC001237803862 1043368051 /nfs/dbraw/zinc/36/80/51/1043368051.db2.gz VHMFLAMHUJOURF-ZDUSSCGKSA-N 1 2 367.808 2.945 20 10 FFCDLO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)n1 ZINC001237944817 1043449011 /nfs/dbraw/zinc/44/90/11/1043449011.db2.gz WMZFKHRKKKUEIJ-LLVKDONJSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)n1 ZINC001237944817 1043449018 /nfs/dbraw/zinc/44/90/18/1043449018.db2.gz WMZFKHRKKKUEIJ-LLVKDONJSA-N 1 2 353.781 2.637 20 10 FFCDLO O=C(NC1CCC(F)CC1)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001280008088 1044081172 /nfs/dbraw/zinc/08/11/72/1044081172.db2.gz JPTHKARQIXWYOM-OILHFSCHSA-N 1 2 350.409 2.893 20 10 FFCDLO O=C(NC1CCC(F)CC1)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001280008088 1044081181 /nfs/dbraw/zinc/08/11/81/1044081181.db2.gz JPTHKARQIXWYOM-OILHFSCHSA-N 1 2 350.409 2.893 20 10 FFCDLO COc1nc(Cl)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1C ZINC001319921734 1045303624 /nfs/dbraw/zinc/30/36/24/1045303624.db2.gz LGDJTBIQATUYAD-AWEZNQCLSA-N 1 2 365.861 2.969 20 10 FFCDLO COc1nc(Cl)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1C ZINC001319921734 1045303627 /nfs/dbraw/zinc/30/36/27/1045303627.db2.gz LGDJTBIQATUYAD-AWEZNQCLSA-N 1 2 365.861 2.969 20 10 FFCDLO O=C(NCc1c(O)cccc1F)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001303877744 1051465692 /nfs/dbraw/zinc/46/56/92/1051465692.db2.gz FTAZHIUVMXHHEB-GOSISDBHSA-N 1 2 360.454 2.938 20 10 FFCDLO COc1ccc(N2CCN(C(=O)Cn3c[nH+]c(C(C)(C)C)c3)CC2)cc1 ZINC001307382024 1052296819 /nfs/dbraw/zinc/29/68/19/1052296819.db2.gz UCWLWGWRAPWXBA-UHFFFAOYSA-N 1 2 356.470 2.538 20 10 FFCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000847363322 1055602889 /nfs/dbraw/zinc/60/28/89/1055602889.db2.gz XQNWHOOJTLBNAL-SOUVJXGZSA-N 1 2 374.460 2.657 20 10 FFCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000847363322 1055602898 /nfs/dbraw/zinc/60/28/98/1055602898.db2.gz XQNWHOOJTLBNAL-SOUVJXGZSA-N 1 2 374.460 2.657 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)C[C@H]1O ZINC001561021372 1076321089 /nfs/dbraw/zinc/32/10/89/1076321089.db2.gz JXWYRFJVYXHDAG-RDDDGLTNSA-N 1 2 365.065 2.730 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)C[C@H]1O ZINC001561021372 1076321095 /nfs/dbraw/zinc/32/10/95/1076321095.db2.gz JXWYRFJVYXHDAG-RDDDGLTNSA-N 1 2 365.065 2.730 20 10 FFCDLO CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000132567964 509046296 /nfs/dbraw/zinc/04/62/96/509046296.db2.gz JJOHGQQCXYMVFN-VIFPVBQESA-N 1 2 353.054 2.778 20 10 FFCDLO COc1ccc(N2CCC[N@H+](Cc3ncnn3-c3ccccc3)CC2)cc1 ZINC000366894739 512238407 /nfs/dbraw/zinc/23/84/07/512238407.db2.gz VBRRQOITVMBLSP-UHFFFAOYSA-N 1 2 363.465 2.988 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](Cc3ncnn3-c3ccccc3)CC2)cc1 ZINC000366894739 512238412 /nfs/dbraw/zinc/23/84/12/512238412.db2.gz VBRRQOITVMBLSP-UHFFFAOYSA-N 1 2 363.465 2.988 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000093809679 508156258 /nfs/dbraw/zinc/15/62/58/508156258.db2.gz KRKUVGITYYJJQS-GFCCVEGCSA-N 1 2 367.247 2.629 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000093809679 508156261 /nfs/dbraw/zinc/15/62/61/508156261.db2.gz KRKUVGITYYJJQS-GFCCVEGCSA-N 1 2 367.247 2.629 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000084090515 508265343 /nfs/dbraw/zinc/26/53/43/508265343.db2.gz AKDXZGAAZIDPMI-HOTGVXAUSA-N 1 2 357.447 2.522 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000084090515 508265347 /nfs/dbraw/zinc/26/53/47/508265347.db2.gz AKDXZGAAZIDPMI-HOTGVXAUSA-N 1 2 357.447 2.522 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000153618181 508608671 /nfs/dbraw/zinc/60/86/71/508608671.db2.gz SYEBJKDXYHSSCK-UHFFFAOYSA-N 1 2 372.444 2.502 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCCN(C(N)=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000153618181 508608674 /nfs/dbraw/zinc/60/86/74/508608674.db2.gz SYEBJKDXYHSSCK-UHFFFAOYSA-N 1 2 372.444 2.502 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000377704771 512409222 /nfs/dbraw/zinc/40/92/22/512409222.db2.gz WRTDAZUTDBLGKF-KBPBESRZSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000377704771 512409226 /nfs/dbraw/zinc/40/92/26/512409226.db2.gz WRTDAZUTDBLGKF-KBPBESRZSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1O ZINC000377704773 512409813 /nfs/dbraw/zinc/40/98/13/512409813.db2.gz WRTDAZUTDBLGKF-UONOGXRCSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1O ZINC000377704773 512409816 /nfs/dbraw/zinc/40/98/16/512409816.db2.gz WRTDAZUTDBLGKF-UONOGXRCSA-N 1 2 372.259 2.543 20 10 FFCDLO OC[C@H]1CCCN(c2cc(NCc3ccc(N4CCCC4)cc3)[nH+]cn2)C1 ZINC000171838264 510401684 /nfs/dbraw/zinc/40/16/84/510401684.db2.gz PLGFCLCBNNCFJG-SFHVURJKSA-N 1 2 367.497 2.898 20 10 FFCDLO OC[C@H]1CCCN(c2cc(NCc3ccc(N4CCCC4)cc3)nc[nH+]2)C1 ZINC000171838264 510401691 /nfs/dbraw/zinc/40/16/91/510401691.db2.gz PLGFCLCBNNCFJG-SFHVURJKSA-N 1 2 367.497 2.898 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1O ZINC000191215354 510552360 /nfs/dbraw/zinc/55/23/60/510552360.db2.gz UEVLPBQHDRBSRC-NSHDSACASA-N 1 2 370.421 2.772 20 10 FFCDLO CC(C)[N@H+](Cc1nnnn1CC1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000277653589 510968786 /nfs/dbraw/zinc/96/87/86/510968786.db2.gz IKERDKOSSVKANM-UHFFFAOYSA-N 1 2 372.517 2.576 20 10 FFCDLO CC(C)[N@@H+](Cc1nnnn1CC1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000277653589 510968792 /nfs/dbraw/zinc/96/87/92/510968792.db2.gz IKERDKOSSVKANM-UHFFFAOYSA-N 1 2 372.517 2.576 20 10 FFCDLO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cccc(Cl)c1O ZINC000287556572 511052857 /nfs/dbraw/zinc/05/28/57/511052857.db2.gz FYTBBDGALLMYKG-HNNXBMFYSA-N 1 2 360.907 2.900 20 10 FFCDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000271080811 511077043 /nfs/dbraw/zinc/07/70/43/511077043.db2.gz ZUFGKDHDDLHTTO-AEFFLSMTSA-N 1 2 361.392 2.915 20 10 FFCDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000271080811 511077047 /nfs/dbraw/zinc/07/70/47/511077047.db2.gz ZUFGKDHDDLHTTO-AEFFLSMTSA-N 1 2 361.392 2.915 20 10 FFCDLO COc1c(O)c(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000290449573 511142465 /nfs/dbraw/zinc/14/24/65/511142465.db2.gz MGEQRXJDTWMODE-HNNXBMFYSA-N 1 2 363.389 2.841 20 10 FFCDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000271774490 511319698 /nfs/dbraw/zinc/31/96/98/511319698.db2.gz FXYVWZISTDUXIQ-MRXNPFEDSA-N 1 2 357.406 2.509 20 10 FFCDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000271774490 511319701 /nfs/dbraw/zinc/31/97/01/511319701.db2.gz FXYVWZISTDUXIQ-MRXNPFEDSA-N 1 2 357.406 2.509 20 10 FFCDLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273484374 511528876 /nfs/dbraw/zinc/52/88/76/511528876.db2.gz MZAZLOCDKNUHHP-GFCCVEGCSA-N 1 2 364.423 2.945 20 10 FFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366108050 511843831 /nfs/dbraw/zinc/84/38/31/511843831.db2.gz XDJMFIBNKRMGDJ-MRXNPFEDSA-N 1 2 355.486 2.953 20 10 FFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366108050 511843835 /nfs/dbraw/zinc/84/38/35/511843835.db2.gz XDJMFIBNKRMGDJ-MRXNPFEDSA-N 1 2 355.486 2.953 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000374012758 512620875 /nfs/dbraw/zinc/62/08/75/512620875.db2.gz FZORDWLJABVZGE-WTOJCKNJSA-N 1 2 351.418 2.892 20 10 FFCDLO OC[C@@H]1CCCN(c2cc(NCCCSc3nccs3)[nH+]cn2)C1 ZINC000156411006 728850657 /nfs/dbraw/zinc/85/06/57/728850657.db2.gz BUVCBUZDUBCJFD-CYBMUJFWSA-N 1 2 365.528 2.736 20 10 FFCDLO OC[C@@H]1CCCN(c2cc(NCCCSc3nccs3)nc[nH+]2)C1 ZINC000156411006 728850660 /nfs/dbraw/zinc/85/06/60/728850660.db2.gz BUVCBUZDUBCJFD-CYBMUJFWSA-N 1 2 365.528 2.736 20 10 FFCDLO CC[N@H+](Cc1cccc(Br)c1O)[C@H](C)CS(=O)(=O)CC ZINC000093414063 728475957 /nfs/dbraw/zinc/47/59/57/728475957.db2.gz GTAPOPJHVRGWAL-LLVKDONJSA-N 1 2 364.305 2.800 20 10 FFCDLO CC[N@@H+](Cc1cccc(Br)c1O)[C@H](C)CS(=O)(=O)CC ZINC000093414063 728475959 /nfs/dbraw/zinc/47/59/59/728475959.db2.gz GTAPOPJHVRGWAL-LLVKDONJSA-N 1 2 364.305 2.800 20 10 FFCDLO CCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000177253238 729132994 /nfs/dbraw/zinc/13/29/94/729132994.db2.gz SKJMTKLTDGMQIW-AWEZNQCLSA-N 1 2 359.875 2.647 20 10 FFCDLO CCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000177253238 729132997 /nfs/dbraw/zinc/13/29/97/729132997.db2.gz SKJMTKLTDGMQIW-AWEZNQCLSA-N 1 2 359.875 2.647 20 10 FFCDLO Oc1cccc(Br)c1CNc1ccc[nH+]c1N1CCOCC1 ZINC000858152802 730417961 /nfs/dbraw/zinc/41/79/61/730417961.db2.gz ABYOCCJAXWVNFE-UHFFFAOYSA-N 1 2 364.243 2.998 20 10 FFCDLO Brc1cc(C[NH2+]Cc2cnn[nH]2)ccc1N1CCCCC1 ZINC000858197389 730419461 /nfs/dbraw/zinc/41/94/61/730419461.db2.gz IOPYTXITLVJPEY-UHFFFAOYSA-N 1 2 350.264 2.847 20 10 FFCDLO CCOC(=O)c1cc(C[NH2+]Cc2cccc(Br)c2O)on1 ZINC000865764588 730994862 /nfs/dbraw/zinc/99/48/62/730994862.db2.gz GZVCDOKILHJQII-UHFFFAOYSA-N 1 2 355.188 2.609 20 10 FFCDLO CCOC(=O)[C@@]1(C[NH2+]Cc2cccc(Br)c2O)CCCOC1 ZINC000877698997 732416188 /nfs/dbraw/zinc/41/61/88/732416188.db2.gz UFTVXHQTZXNDDX-MRXNPFEDSA-N 1 2 372.259 2.604 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000781896704 738668875 /nfs/dbraw/zinc/66/88/75/738668875.db2.gz MLBMIVDSNXGXDJ-CQSZACIVSA-N 1 2 353.260 2.706 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000781896704 738668877 /nfs/dbraw/zinc/66/88/77/738668877.db2.gz MLBMIVDSNXGXDJ-CQSZACIVSA-N 1 2 353.260 2.706 20 10 FFCDLO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883113651 733336407 /nfs/dbraw/zinc/33/64/07/733336407.db2.gz ZKCCNAPMPXXPMI-AAEUAGOBSA-N 1 2 364.255 2.541 20 10 FFCDLO COCC[C@H](COC)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708124648 734362607 /nfs/dbraw/zinc/36/26/07/734362607.db2.gz IKZNAYZHFUKLIU-LLVKDONJSA-N 1 2 352.656 2.949 20 10 FFCDLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000895847370 735063803 /nfs/dbraw/zinc/06/38/03/735063803.db2.gz URIZJTWGBGBRDV-GFCCVEGCSA-N 1 2 354.166 2.901 20 10 FFCDLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000895847370 735063806 /nfs/dbraw/zinc/06/38/06/735063806.db2.gz URIZJTWGBGBRDV-GFCCVEGCSA-N 1 2 354.166 2.901 20 10 FFCDLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000788270269 739226192 /nfs/dbraw/zinc/22/61/92/739226192.db2.gz QTAHOWZKDSDAGT-OIBJUYFYSA-N 1 2 365.065 2.872 20 10 FFCDLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000788270269 739226194 /nfs/dbraw/zinc/22/61/94/739226194.db2.gz QTAHOWZKDSDAGT-OIBJUYFYSA-N 1 2 365.065 2.872 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(F)cc(F)c1O ZINC000903433771 736093729 /nfs/dbraw/zinc/09/37/29/736093729.db2.gz FBERZJAYGCZPIB-WPRPVWTQSA-N 1 2 370.787 2.749 20 10 FFCDLO COCCOCCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756360703 736325015 /nfs/dbraw/zinc/32/50/15/736325015.db2.gz VJQJSLSXDSQZRP-SNVBAGLBSA-N 1 2 350.228 2.998 20 10 FFCDLO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756446514 736331712 /nfs/dbraw/zinc/33/17/12/736331712.db2.gz RIUXUHNIQHMULL-LLVKDONJSA-N 1 2 370.421 2.570 20 10 FFCDLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756775706 736360658 /nfs/dbraw/zinc/36/06/58/736360658.db2.gz RLXXJEZYZLHZOA-IYYTYJHQSA-N 1 2 359.239 2.859 20 10 FFCDLO CC(C)[N@H+](Cc1nnnn1CC(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000759340975 736563517 /nfs/dbraw/zinc/56/35/17/736563517.db2.gz GVTDTNRUDPXVGS-UHFFFAOYSA-N 1 2 356.396 2.712 20 10 FFCDLO CC(C)[N@@H+](Cc1nnnn1CC(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000759340975 736563519 /nfs/dbraw/zinc/56/35/19/736563519.db2.gz GVTDTNRUDPXVGS-UHFFFAOYSA-N 1 2 356.396 2.712 20 10 FFCDLO COc1c(O)c(C[NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974122 738046909 /nfs/dbraw/zinc/04/69/09/738046909.db2.gz JCZJDKRUMBNBJC-MELADBBJSA-N 1 2 351.447 2.765 20 10 FFCDLO COc1c(O)c(CN[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974122 738046915 /nfs/dbraw/zinc/04/69/15/738046915.db2.gz JCZJDKRUMBNBJC-MELADBBJSA-N 1 2 351.447 2.765 20 10 FFCDLO COc1c(O)c(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774979309 738047507 /nfs/dbraw/zinc/04/75/07/738047507.db2.gz TWLHBWLFBUUYJE-FZKQIMNGSA-N 1 2 351.447 2.909 20 10 FFCDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1O ZINC000775656408 738109535 /nfs/dbraw/zinc/10/95/35/738109535.db2.gz SXOHYEVBWONQSW-UHFFFAOYSA-N 1 2 361.423 2.628 20 10 FFCDLO C[NH+](C)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1Cl ZINC000789944286 739398630 /nfs/dbraw/zinc/39/86/30/739398630.db2.gz PXLIIFKYXUYCHB-ZDUSSCGKSA-N 1 2 352.793 2.923 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)c1O ZINC000934641528 739817691 /nfs/dbraw/zinc/81/76/91/739817691.db2.gz NNRABLODYLCKPX-KRWDZBQOSA-N 1 2 351.418 2.751 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@@H]2CC2CCOCC2)c1O ZINC000934641528 739817697 /nfs/dbraw/zinc/81/76/97/739817697.db2.gz NNRABLODYLCKPX-KRWDZBQOSA-N 1 2 351.418 2.751 20 10 FFCDLO Oc1ccccc1C[N@H+](Cc1nnn(CC(F)(F)F)n1)C1CCCC1 ZINC000799302576 740405299 /nfs/dbraw/zinc/40/52/99/740405299.db2.gz QTVNAPZGZLHDSX-UHFFFAOYSA-N 1 2 355.364 2.886 20 10 FFCDLO Oc1ccccc1C[N@@H+](Cc1nnn(CC(F)(F)F)n1)C1CCCC1 ZINC000799302576 740405305 /nfs/dbraw/zinc/40/53/05/740405305.db2.gz QTVNAPZGZLHDSX-UHFFFAOYSA-N 1 2 355.364 2.886 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000801734000 740646359 /nfs/dbraw/zinc/64/63/59/740646359.db2.gz PRKOASUHCYUBQA-CJNGLKHVSA-N 1 2 370.287 2.812 20 10 FFCDLO CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806134793 741042483 /nfs/dbraw/zinc/04/24/83/741042483.db2.gz NZCRFWOMZHDPKF-CQSZACIVSA-N 1 2 360.285 2.514 20 10 FFCDLO OC[C@@]1([C@@H]([NH2+]Cc2cccc(Br)c2O)C2CC2)CCCO1 ZINC000816667697 742052314 /nfs/dbraw/zinc/05/23/14/742052314.db2.gz UPBMFFYTSAVUQQ-JKSUJKDBSA-N 1 2 356.260 2.564 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000840868617 747207327 /nfs/dbraw/zinc/20/73/27/747207327.db2.gz CIWHZFWRKAINHI-SECBINFHSA-N 1 2 355.316 2.838 20 10 FFCDLO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000840889115 747213435 /nfs/dbraw/zinc/21/34/35/747213435.db2.gz ONTKERGKCAVCQN-VIFPVBQESA-N 1 2 368.268 2.769 20 10 FFCDLO C[N@H+](Cc1cccc(Br)c1O)C(C)(C)CN1CCOCC1 ZINC000840978516 747249829 /nfs/dbraw/zinc/24/98/29/747249829.db2.gz RZUQORCBOOANBW-UHFFFAOYSA-N 1 2 357.292 2.697 20 10 FFCDLO C[N@@H+](Cc1cccc(Br)c1O)C(C)(C)CN1CCOCC1 ZINC000840978516 747249832 /nfs/dbraw/zinc/24/98/32/747249832.db2.gz RZUQORCBOOANBW-UHFFFAOYSA-N 1 2 357.292 2.697 20 10 FFCDLO CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000846207536 748430663 /nfs/dbraw/zinc/43/06/63/748430663.db2.gz CSLJUXKDHMNSKN-VHSXEESVSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cc(Br)ccc1O ZINC000848556863 748959984 /nfs/dbraw/zinc/95/99/84/748959984.db2.gz FICKLCKDIVLPEB-ZANVPECISA-N 1 2 367.247 2.975 20 10 FFCDLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(Br)cc1O ZINC000848557796 748960201 /nfs/dbraw/zinc/96/02/01/748960201.db2.gz LMJJTFIXNKHRQQ-TVQRCGJNSA-N 1 2 367.247 2.975 20 10 FFCDLO COCC[N@H+](Cc1cccc(Br)c1O)C[C@@H](O)C(F)(F)F ZINC000848922702 749034582 /nfs/dbraw/zinc/03/45/82/749034582.db2.gz YLHNQRRXTULXPC-LLVKDONJSA-N 1 2 372.181 2.526 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1O ZINC001206222986 1013136329 /nfs/dbraw/zinc/13/63/29/1013136329.db2.gz RQGVNLNOWBZSJX-LBPRGKRZSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c1O ZINC001206222986 1013136344 /nfs/dbraw/zinc/13/63/44/1013136344.db2.gz RQGVNLNOWBZSJX-LBPRGKRZSA-N 1 2 369.181 2.629 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275892372 1013153475 /nfs/dbraw/zinc/15/34/75/1013153475.db2.gz BQIILYXOVWAEKC-XIKOKIGWSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275892372 1013153482 /nfs/dbraw/zinc/15/34/82/1013153482.db2.gz BQIILYXOVWAEKC-XIKOKIGWSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000177282001 969159228 /nfs/dbraw/zinc/15/92/28/969159228.db2.gz CAXOUEMRQDPMJN-GOSISDBHSA-N 1 2 356.397 2.971 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000177282001 969159234 /nfs/dbraw/zinc/15/92/34/969159234.db2.gz CAXOUEMRQDPMJN-GOSISDBHSA-N 1 2 356.397 2.971 20 10 FFCDLO [O-]c1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc(F)c1F ZINC000877060307 1014463677 /nfs/dbraw/zinc/46/36/77/1014463677.db2.gz IEWJTJGWWLYIGM-FUHWJXTLSA-N 1 2 362.420 2.643 20 10 FFCDLO [O-]c1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc(F)c1F ZINC000877060307 1014463685 /nfs/dbraw/zinc/46/36/85/1014463685.db2.gz IEWJTJGWWLYIGM-FUHWJXTLSA-N 1 2 362.420 2.643 20 10 FFCDLO O=C(NCCCCn1cc[nH+]c1)NCc1ccc(N2CCSCC2)cc1 ZINC000057374349 984495448 /nfs/dbraw/zinc/49/54/48/984495448.db2.gz SWUBBKONPHFYGZ-UHFFFAOYSA-N 1 2 373.526 2.716 20 10 FFCDLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C)o1 ZINC001089070134 986192065 /nfs/dbraw/zinc/19/20/65/986192065.db2.gz PEGKMMSPFDJVSK-DOMZBBRYSA-N 1 2 370.413 2.538 20 10 FFCDLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C)o1 ZINC001089070134 986192075 /nfs/dbraw/zinc/19/20/75/986192075.db2.gz PEGKMMSPFDJVSK-DOMZBBRYSA-N 1 2 370.413 2.538 20 10 FFCDLO O=C(OCCCn1cc[nH+]c1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000763289594 989559996 /nfs/dbraw/zinc/55/99/96/989559996.db2.gz VFNZEIZTSVMIII-UHFFFAOYSA-N 1 2 360.369 2.906 20 10 FFCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C[C@@H]1O ZINC001237783652 992715336 /nfs/dbraw/zinc/71/53/36/992715336.db2.gz LALWHXGSHMNPBL-CPCISQLKSA-N 1 2 354.166 2.986 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C[C@@H]1O ZINC001237783652 992715342 /nfs/dbraw/zinc/71/53/42/992715342.db2.gz LALWHXGSHMNPBL-CPCISQLKSA-N 1 2 354.166 2.986 20 10 FFCDLO O=C(Cc1cn2c([nH+]1)CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000845859148 998673582 /nfs/dbraw/zinc/67/35/82/998673582.db2.gz ABPJYZPRUMXSRN-SFHVURJKSA-N 1 2 369.465 2.675 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000745434601 999914115 /nfs/dbraw/zinc/91/41/15/999914115.db2.gz DMFCDCBNRGGRPZ-INIZCTEOSA-N 1 2 355.482 2.853 20 10 FFCDLO CCOc1ccc(N2CC[NH+](C3CCC(S(C)(=O)=O)CC3)CC2)cc1 ZINC001169897233 1000084567 /nfs/dbraw/zinc/08/45/67/1000084567.db2.gz MPJJCMMQSFOMRM-UHFFFAOYSA-N 1 2 366.527 2.563 20 10 FFCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000769152801 1000450019 /nfs/dbraw/zinc/45/00/19/1000450019.db2.gz MLNPBEFYNKIQPM-UHFFFAOYSA-N 1 2 362.376 2.637 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC000786940023 1001651015 /nfs/dbraw/zinc/65/10/15/1001651015.db2.gz PSBCXBSJFWCMDF-CYBMUJFWSA-N 1 2 352.394 2.610 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000774903979 1003006192 /nfs/dbraw/zinc/00/61/92/1003006192.db2.gz OQXUELBZPLOIGF-HXUWFJFHSA-N 1 2 370.405 2.983 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000774903979 1003006204 /nfs/dbraw/zinc/00/62/04/1003006204.db2.gz OQXUELBZPLOIGF-HXUWFJFHSA-N 1 2 370.405 2.983 20 10 FFCDLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc(C)c3O)CC2)cc1C ZINC000775644069 1004915552 /nfs/dbraw/zinc/91/55/52/1004915552.db2.gz YUWAJXUIPDWXDQ-UHFFFAOYSA-N 1 2 374.506 2.824 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)C2)cc1 ZINC000854301479 1006767060 /nfs/dbraw/zinc/76/70/60/1006767060.db2.gz PXBNRODXBIFPLX-AEFFLSMTSA-N 1 2 369.469 2.517 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000861663740 1009500480 /nfs/dbraw/zinc/50/04/80/1009500480.db2.gz NRHPBQBFSAYEHB-GOSISDBHSA-N 1 2 362.433 2.848 20 10 FFCDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862227128 1009752391 /nfs/dbraw/zinc/75/23/91/1009752391.db2.gz LTJXKVIPAWGJQM-UHFFFAOYSA-N 1 2 364.440 2.953 20 10 FFCDLO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)CC1 ZINC000774084496 1010463742 /nfs/dbraw/zinc/46/37/42/1010463742.db2.gz LPEZVQAMMGPGKF-UHFFFAOYSA-N 1 2 370.409 2.695 20 10 FFCDLO CCN(CC)c1ccc(C[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1F ZINC000865866507 1010877258 /nfs/dbraw/zinc/87/72/58/1010877258.db2.gz NFGCEWSYLCQDOB-UHFFFAOYSA-N 1 2 360.433 2.530 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000802121869 1019765816 /nfs/dbraw/zinc/76/58/16/1019765816.db2.gz SQKIXHAOMNLVFJ-IRXDYDNUSA-N 1 2 363.502 2.813 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@]12C[C@H]1COC2 ZINC001119452335 1022780497 /nfs/dbraw/zinc/78/04/97/1022780497.db2.gz JLSGOJPWLMWJMZ-UFBFGSQYSA-N 1 2 363.049 2.796 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001137834639 1033169023 /nfs/dbraw/zinc/16/90/23/1033169023.db2.gz NWRZIVIBKYEUNA-OAHLLOKOSA-N 1 2 368.412 2.834 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001137834639 1033169029 /nfs/dbraw/zinc/16/90/29/1033169029.db2.gz NWRZIVIBKYEUNA-OAHLLOKOSA-N 1 2 368.412 2.834 20 10 FFCDLO CN(C)c1ccc(CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000779664906 1024394264 /nfs/dbraw/zinc/39/42/64/1024394264.db2.gz FBZBJNBOLFTBRX-INIZCTEOSA-N 1 2 353.470 2.638 20 10 FFCDLO CC(C)(C)[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)CO ZINC001141367472 1026043569 /nfs/dbraw/zinc/04/35/69/1026043569.db2.gz BNFDXWQGYBJSCF-LLVKDONJSA-N 1 2 366.683 2.762 20 10 FFCDLO CC(C)(C)[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)CO ZINC001141367472 1026043590 /nfs/dbraw/zinc/04/35/90/1026043590.db2.gz BNFDXWQGYBJSCF-LLVKDONJSA-N 1 2 366.683 2.762 20 10 FFCDLO O=C(C[N@@H+]1CC[C@H](O)[C@@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839664513 1026781011 /nfs/dbraw/zinc/78/10/11/1026781011.db2.gz AXBXMPMPMCRMLE-BEFAXECRSA-N 1 2 368.437 2.716 20 10 FFCDLO O=C(C[N@H+]1CC[C@H](O)[C@@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839664513 1026781014 /nfs/dbraw/zinc/78/10/14/1026781014.db2.gz AXBXMPMPMCRMLE-BEFAXECRSA-N 1 2 368.437 2.716 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000840383923 1027065293 /nfs/dbraw/zinc/06/52/93/1027065293.db2.gz BDMBKPMCLYTQEG-MRXNPFEDSA-N 1 2 355.486 2.731 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000840383923 1027065299 /nfs/dbraw/zinc/06/52/99/1027065299.db2.gz BDMBKPMCLYTQEG-MRXNPFEDSA-N 1 2 355.486 2.731 20 10 FFCDLO CCN(CC)c1ccc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000093843614 1027850315 /nfs/dbraw/zinc/85/03/15/1027850315.db2.gz UXITVWZTTJBBLU-IBGZPJMESA-N 1 2 372.557 2.661 20 10 FFCDLO Nc1ccc(CCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000841960766 1030560227 /nfs/dbraw/zinc/56/02/27/1030560227.db2.gz WSTDSHWQRDFOFT-UHFFFAOYSA-N 1 2 355.486 2.910 20 10 FFCDLO Nc1ccc(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000842570808 1030793455 /nfs/dbraw/zinc/79/34/55/1030793455.db2.gz NWXDCZVBEWPTEL-UHFFFAOYSA-N 1 2 350.422 2.742 20 10 FFCDLO CCN(CC)c1ccc(CN2CC([NH+]3C[C@H](C)O[C@@H](C)C3)C2)c(OC)c1 ZINC001138392533 1034226922 /nfs/dbraw/zinc/22/69/22/1034226922.db2.gz ZHSORUUEMHLFEL-IRXDYDNUSA-N 1 2 361.530 2.835 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c(OC)c1 ZINC001138392533 1034226937 /nfs/dbraw/zinc/22/69/37/1034226937.db2.gz ZHSORUUEMHLFEL-IRXDYDNUSA-N 1 2 361.530 2.835 20 10 FFCDLO Brc1cc(C[NH+]2CCSCC2)ccc1N1CCOCC1 ZINC001138676591 1034537629 /nfs/dbraw/zinc/53/76/29/1034537629.db2.gz OLOQUURMATYVPV-UHFFFAOYSA-N 1 2 357.317 2.835 20 10 FFCDLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139125957 1034956967 /nfs/dbraw/zinc/95/69/67/1034956967.db2.gz RBUJWEJRXKFRPX-YCRPNKLZSA-N 1 2 373.449 2.967 20 10 FFCDLO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139125957 1034956972 /nfs/dbraw/zinc/95/69/72/1034956972.db2.gz RBUJWEJRXKFRPX-YCRPNKLZSA-N 1 2 373.449 2.967 20 10 FFCDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000835024652 1035488941 /nfs/dbraw/zinc/48/89/41/1035488941.db2.gz AEIFLBLFYPICIA-ARJAWSKDSA-N 1 2 365.477 2.929 20 10 FFCDLO FC1(F)C[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)CCN2C1 ZINC001232199404 1035495884 /nfs/dbraw/zinc/49/58/84/1035495884.db2.gz GQTLJDHAULKKBY-HNNXBMFYSA-N 1 2 371.859 2.702 20 10 FFCDLO FC1(F)C[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)CCN2C1 ZINC001232199404 1035495887 /nfs/dbraw/zinc/49/58/87/1035495887.db2.gz GQTLJDHAULKKBY-HNNXBMFYSA-N 1 2 371.859 2.702 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203954 1035499350 /nfs/dbraw/zinc/49/93/50/1035499350.db2.gz JOJXBXRNMJFKRW-RVKKMQEKSA-N 1 2 364.873 2.703 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232203954 1035499351 /nfs/dbraw/zinc/49/93/51/1035499351.db2.gz JOJXBXRNMJFKRW-RVKKMQEKSA-N 1 2 364.873 2.703 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)Cc2cnn(C)c21 ZINC001232260335 1035531461 /nfs/dbraw/zinc/53/14/61/1035531461.db2.gz VSHUNWSCPMEDQT-ZDUSSCGKSA-N 1 2 351.834 2.621 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)Cc2cnn(C)c21 ZINC001232260335 1035531471 /nfs/dbraw/zinc/53/14/71/1035531471.db2.gz VSHUNWSCPMEDQT-ZDUSSCGKSA-N 1 2 351.834 2.621 20 10 FFCDLO O=C(NCc1ccco1)C12CC(C1)C[N@H+]2Cc1cc(Cl)c(O)cc1O ZINC001232262049 1035533069 /nfs/dbraw/zinc/53/30/69/1035533069.db2.gz YMQQOXOWJVEMDO-UHFFFAOYSA-N 1 2 362.813 2.625 20 10 FFCDLO O=C(NCc1ccco1)C12CC(C1)C[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001232262049 1035533080 /nfs/dbraw/zinc/53/30/80/1035533080.db2.gz YMQQOXOWJVEMDO-UHFFFAOYSA-N 1 2 362.813 2.625 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2c(O)cc(F)cc2F)C[C@]12CCN(c1cccnc1)C2=O ZINC001140581412 1035661448 /nfs/dbraw/zinc/66/14/48/1035661448.db2.gz RUOPLIPARNKFNT-ZUOKHONESA-N 1 2 373.403 2.940 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)C[C@]12CCN(c1cccnc1)C2=O ZINC001140581412 1035661457 /nfs/dbraw/zinc/66/14/57/1035661457.db2.gz RUOPLIPARNKFNT-ZUOKHONESA-N 1 2 373.403 2.940 20 10 FFCDLO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c(O)cc(F)cc1F)C2 ZINC001140581267 1035661490 /nfs/dbraw/zinc/66/14/90/1035661490.db2.gz SWCCFJAHSXFPRX-UHFFFAOYSA-N 1 2 350.413 2.723 20 10 FFCDLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1c(O)cc(F)cc1F)C2 ZINC001140581267 1035661498 /nfs/dbraw/zinc/66/14/98/1035661498.db2.gz SWCCFJAHSXFPRX-UHFFFAOYSA-N 1 2 350.413 2.723 20 10 FFCDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277231232 1035666576 /nfs/dbraw/zinc/66/65/76/1035666576.db2.gz AASPXCHFMRYSOG-HFBAOOFYSA-N 1 2 350.846 2.588 20 10 FFCDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Cl)c1O ZINC001277231232 1035666585 /nfs/dbraw/zinc/66/65/85/1035666585.db2.gz AASPXCHFMRYSOG-HFBAOOFYSA-N 1 2 350.846 2.588 20 10 FFCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2O)N1Cc1ncccn1 ZINC001277232335 1035677998 /nfs/dbraw/zinc/67/79/98/1035677998.db2.gz OSAFQZRJGSBCBW-HZPDHXFCSA-N 1 2 372.856 2.601 20 10 FFCDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(Cl)c2O)N1Cc1ncccn1 ZINC001277232335 1035678007 /nfs/dbraw/zinc/67/80/07/1035678007.db2.gz OSAFQZRJGSBCBW-HZPDHXFCSA-N 1 2 372.856 2.601 20 10 FFCDLO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233080163 1036326734 /nfs/dbraw/zinc/32/67/34/1036326734.db2.gz RNCSLNHBXSGKHC-GFCCVEGCSA-N 1 2 351.353 2.512 20 10 FFCDLO COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233080163 1036326756 /nfs/dbraw/zinc/32/67/56/1036326756.db2.gz RNCSLNHBXSGKHC-GFCCVEGCSA-N 1 2 351.353 2.512 20 10 FFCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001233333780 1036542511 /nfs/dbraw/zinc/54/25/11/1036542511.db2.gz HOYPXKTZXKYITD-UHFFFAOYSA-N 1 2 359.380 2.518 20 10 FFCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001233333780 1036542521 /nfs/dbraw/zinc/54/25/21/1036542521.db2.gz HOYPXKTZXKYITD-UHFFFAOYSA-N 1 2 359.380 2.518 20 10 FFCDLO CCOCCN1CC[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277386836 1036669714 /nfs/dbraw/zinc/66/97/14/1036669714.db2.gz CONQLAVDNJWTLT-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO CCOCCN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277386836 1036669722 /nfs/dbraw/zinc/66/97/22/1036669722.db2.gz CONQLAVDNJWTLT-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCC[C@]23CCN(CC(F)F)C3=O)c(Cl)c1 ZINC001277833252 1036931996 /nfs/dbraw/zinc/93/19/96/1036931996.db2.gz FPNFMZBSGHHJID-QGZVFWFLSA-N 1 2 374.815 2.886 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCC[C@]23CCN(CC(F)F)C3=O)c(Cl)c1 ZINC001277833252 1036932005 /nfs/dbraw/zinc/93/20/05/1036932005.db2.gz FPNFMZBSGHHJID-QGZVFWFLSA-N 1 2 374.815 2.886 20 10 FFCDLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234987748 1037281125 /nfs/dbraw/zinc/28/11/25/1037281125.db2.gz JTWDUSAAULGBRR-IBGZPJMESA-N 1 2 364.449 2.934 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001235074458 1037343443 /nfs/dbraw/zinc/34/34/43/1037343443.db2.gz HXCNUBXGZHKEEB-GFCCVEGCSA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001235074458 1037343451 /nfs/dbraw/zinc/34/34/51/1037343451.db2.gz HXCNUBXGZHKEEB-GFCCVEGCSA-N 1 2 368.206 2.737 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(F)cc(Br)c3O)CC[C@@H]21 ZINC001235306447 1037464516 /nfs/dbraw/zinc/46/45/16/1037464516.db2.gz FQIPEKKVOABUNY-HZMBPMFUSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(F)cc(Br)c3O)CC[C@@H]21 ZINC001235306447 1037464521 /nfs/dbraw/zinc/46/45/21/1037464521.db2.gz FQIPEKKVOABUNY-HZMBPMFUSA-N 1 2 371.250 2.737 20 10 FFCDLO CC(C)N(C)C(=O)C1=NO[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001231909540 1038004026 /nfs/dbraw/zinc/00/40/26/1038004026.db2.gz CBHJPDIJOJCJQS-SFHVURJKSA-N 1 2 365.861 2.633 20 10 FFCDLO CC(C)N(C)C(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)C1 ZINC001231909540 1038004034 /nfs/dbraw/zinc/00/40/34/1038004034.db2.gz CBHJPDIJOJCJQS-SFHVURJKSA-N 1 2 365.861 2.633 20 10 FFCDLO O=C(COC1CC[NH+](Cc2cccc(Cl)c2O)CC1)N1CCCC1 ZINC001231912994 1038010644 /nfs/dbraw/zinc/01/06/44/1038010644.db2.gz CEICMROKUGMENO-UHFFFAOYSA-N 1 2 352.862 2.649 20 10 FFCDLO COCCN(Cc1cc(Cl)cc(Br)c1O)[C@H]1CC[NH2+]C1 ZINC001236334348 1038052291 /nfs/dbraw/zinc/05/22/91/1038052291.db2.gz OLNORQOJHGMJHZ-LBPRGKRZSA-N 1 2 363.683 2.618 20 10 FFCDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236789420 1038271881 /nfs/dbraw/zinc/27/18/81/1038271881.db2.gz PLSVCMMZEFQHNV-HXUWFJFHSA-N 1 2 371.433 2.735 20 10 FFCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236789420 1038271887 /nfs/dbraw/zinc/27/18/87/1038271887.db2.gz PLSVCMMZEFQHNV-HXUWFJFHSA-N 1 2 371.433 2.735 20 10 FFCDLO CC(C)CN1C[C@@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278025665 1038344717 /nfs/dbraw/zinc/34/47/17/1038344717.db2.gz WNTWAJBBFVFDKB-SFHVURJKSA-N 1 2 370.852 2.644 20 10 FFCDLO CC(C)CN1C[C@@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278025665 1038344733 /nfs/dbraw/zinc/34/47/33/1038344733.db2.gz WNTWAJBBFVFDKB-SFHVURJKSA-N 1 2 370.852 2.644 20 10 FFCDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001278025244 1038345540 /nfs/dbraw/zinc/34/55/40/1038345540.db2.gz OXLHPANEMOKLFP-GFCCVEGCSA-N 1 2 372.387 2.623 20 10 FFCDLO C[NH+]1CCN(c2ccc(CN3C[C@@H](F)[C@@H](F)C3)cc2Br)CC1 ZINC001237090987 1038441006 /nfs/dbraw/zinc/44/10/06/1038441006.db2.gz VCOBKRGOZTXNJL-GASCZTMLSA-N 1 2 374.273 2.693 20 10 FFCDLO Cc1cc(N2CC[NH+](Cc3c(O)cccc3OC(F)(F)F)CC2)ncn1 ZINC001237125165 1038450773 /nfs/dbraw/zinc/45/07/73/1038450773.db2.gz JMBFBDURLJYUCV-UHFFFAOYSA-N 1 2 368.359 2.711 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)cccc1Cl ZINC001278490905 1039878994 /nfs/dbraw/zinc/87/89/94/1039878994.db2.gz LPYFRPLNYCFXHR-GASCZTMLSA-N 1 2 359.857 2.792 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c(O)cccc1Cl ZINC001278490905 1039879010 /nfs/dbraw/zinc/87/90/10/1039879010.db2.gz LPYFRPLNYCFXHR-GASCZTMLSA-N 1 2 359.857 2.792 20 10 FFCDLO CN(c1ccc(-c2[nH]cc[nH+]2)cc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001213089215 1040254621 /nfs/dbraw/zinc/25/46/21/1040254621.db2.gz ZORZNXOHYIVHIK-UHFFFAOYSA-N 1 2 356.451 2.668 20 10 FFCDLO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cccc(Cl)c2O)C3)[nH]1 ZINC001279441416 1043115463 /nfs/dbraw/zinc/11/54/63/1043115463.db2.gz BKANJPXMHZBILU-CJNGLKHVSA-N 1 2 359.857 2.853 20 10 FFCDLO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cccc(Cl)c2O)C3)[nH]1 ZINC001279441416 1043115466 /nfs/dbraw/zinc/11/54/66/1043115466.db2.gz BKANJPXMHZBILU-CJNGLKHVSA-N 1 2 359.857 2.853 20 10 FFCDLO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cccc(Cl)c2O)C3)n(C)n1 ZINC001279442687 1043118178 /nfs/dbraw/zinc/11/81/78/1043118178.db2.gz SMSFAQWLFSBSNK-PBHICJAKSA-N 1 2 360.889 2.794 20 10 FFCDLO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cccc(Cl)c2O)C3)n(C)n1 ZINC001279442687 1043118186 /nfs/dbraw/zinc/11/81/86/1043118186.db2.gz SMSFAQWLFSBSNK-PBHICJAKSA-N 1 2 360.889 2.794 20 10 FFCDLO COc1cnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC001237623632 1043280345 /nfs/dbraw/zinc/28/03/45/1043280345.db2.gz RSRGTXBNVLMSTQ-GFCCVEGCSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nc1 ZINC001237623632 1043280350 /nfs/dbraw/zinc/28/03/50/1043280350.db2.gz RSRGTXBNVLMSTQ-GFCCVEGCSA-N 1 2 353.781 2.637 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2nnco2)cc1 ZINC001279742760 1043570726 /nfs/dbraw/zinc/57/07/26/1043570726.db2.gz CIMKLYXSJCYAQW-BEFAXECRSA-N 1 2 355.442 2.519 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2nnco2)cc1 ZINC001279742760 1043570728 /nfs/dbraw/zinc/57/07/28/1043570728.db2.gz CIMKLYXSJCYAQW-BEFAXECRSA-N 1 2 355.442 2.519 20 10 FFCDLO CN(C)C(=O)c1noc2c1C[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001279858972 1043783578 /nfs/dbraw/zinc/78/35/78/1043783578.db2.gz DIKVTSQXBCZMNW-UHFFFAOYSA-N 1 2 354.454 2.535 20 10 FFCDLO CN(C)C(=O)c1noc2c1C[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001279858972 1043783584 /nfs/dbraw/zinc/78/35/84/1043783584.db2.gz DIKVTSQXBCZMNW-UHFFFAOYSA-N 1 2 354.454 2.535 20 10 FFCDLO CN(C)C(=O)c1cc2c([nH]1)C[N@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001279882082 1043840319 /nfs/dbraw/zinc/84/03/19/1043840319.db2.gz LZZUYNBAEMLOTJ-UHFFFAOYSA-N 1 2 352.482 2.657 20 10 FFCDLO CN(C)C(=O)c1cc2c([nH]1)C[N@@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001279882082 1043840327 /nfs/dbraw/zinc/84/03/27/1043840327.db2.gz LZZUYNBAEMLOTJ-UHFFFAOYSA-N 1 2 352.482 2.657 20 10 FFCDLO CCOc1ccc(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cc1 ZINC001319869085 1045288803 /nfs/dbraw/zinc/28/88/03/1045288803.db2.gz BZJNFYDNIPQELV-UHFFFAOYSA-N 1 2 350.422 2.695 20 10 FFCDLO CC(C)[C@H](C(=O)NCc1cccc(Cl)c1O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305069314 1051794381 /nfs/dbraw/zinc/79/43/81/1051794381.db2.gz CXDUDUZKISCHMK-XJKCOSOUSA-N 1 2 354.878 2.796 20 10 FFCDLO O=C(C[NH2+]Cc1cc(Cl)cc(F)c1O)Nc1ccc2c(c1)OCCO2 ZINC001461677741 1061375905 /nfs/dbraw/zinc/37/59/05/1061375905.db2.gz VRSBIHRRPOEYRM-UHFFFAOYSA-N 1 2 366.776 2.684 20 10 FFCDLO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccc(F)c(F)c1O ZINC001462491759 1061644097 /nfs/dbraw/zinc/64/40/97/1061644097.db2.gz AQCDVGIDZJYDHR-UHFFFAOYSA-N 1 2 360.401 2.644 20 10 FFCDLO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccc(F)c(F)c1O ZINC001462491759 1061644109 /nfs/dbraw/zinc/64/41/09/1061644109.db2.gz AQCDVGIDZJYDHR-UHFFFAOYSA-N 1 2 360.401 2.644 20 10 FFCDLO CCC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H](COC)C(=O)OCC ZINC001474442825 1065524603 /nfs/dbraw/zinc/52/46/03/1065524603.db2.gz QSJBCBMRPUBGSK-AWEZNQCLSA-N 1 2 359.850 2.844 20 10 FFCDLO CCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H](COC)C(=O)OCC ZINC001474442825 1065524610 /nfs/dbraw/zinc/52/46/10/1065524610.db2.gz QSJBCBMRPUBGSK-AWEZNQCLSA-N 1 2 359.850 2.844 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@@H](O)C1 ZINC001560565267 1076280006 /nfs/dbraw/zinc/28/00/06/1076280006.db2.gz YGTBEYUWISRPLB-KGLIPLIRSA-N 1 2 374.840 2.645 20 10 FFCDLO C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589963338 1080906439 /nfs/dbraw/zinc/90/64/39/1080906439.db2.gz WHKQUMLNWXHJRX-OUJBWJOFSA-N 1 2 371.363 2.723 20 10 FFCDLO O=C1/C(=C/c2ccccc2F)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000058493870 221120088 /nfs/dbraw/zinc/12/00/88/221120088.db2.gz GVTJGMALPLCYEB-QINSGFPZSA-N 1 2 366.483 2.749 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3nc(N)c4ccccc4n3)CC2)cc1F ZINC000122091946 508480441 /nfs/dbraw/zinc/48/04/41/508480441.db2.gz FLMRICYHGPXHPV-UHFFFAOYSA-N 1 2 367.428 2.682 20 10 FFCDLO O=Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000153990087 508693895 /nfs/dbraw/zinc/69/38/95/508693895.db2.gz PKNUTBSYHDSGCV-CQSZACIVSA-N 1 2 361.829 2.581 20 10 FFCDLO O=Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000153990087 508693896 /nfs/dbraw/zinc/69/38/96/508693896.db2.gz PKNUTBSYHDSGCV-CQSZACIVSA-N 1 2 361.829 2.581 20 10 FFCDLO O=C(Nc1nncs1)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000377715604 512416248 /nfs/dbraw/zinc/41/62/48/512416248.db2.gz KWTLMGFLRIAGJX-UHFFFAOYSA-N 1 2 352.847 2.748 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1OC ZINC000159837615 508898879 /nfs/dbraw/zinc/89/88/79/508898879.db2.gz JDTRYPXNQDBLHC-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1O ZINC000186169086 509557241 /nfs/dbraw/zinc/55/72/41/509557241.db2.gz XKPKICRIXXJQJG-NXEZZACHSA-N 1 2 367.298 2.774 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1O ZINC000276998718 510951991 /nfs/dbraw/zinc/95/19/91/510951991.db2.gz YXIZGGINQUBULF-LRDDRELGSA-N 1 2 361.392 2.907 20 10 FFCDLO Cn1cc([C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3O)C[C@H]2CO)cn1 ZINC000278659158 511003602 /nfs/dbraw/zinc/00/36/02/511003602.db2.gz KITZEIGETACNBQ-JSGCOSHPSA-N 1 2 356.253 2.640 20 10 FFCDLO Cn1cc([C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3O)C[C@H]2CO)cn1 ZINC000278659158 511003605 /nfs/dbraw/zinc/00/36/05/511003605.db2.gz KITZEIGETACNBQ-JSGCOSHPSA-N 1 2 356.253 2.640 20 10 FFCDLO COc1c(O)c(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000290449587 511142253 /nfs/dbraw/zinc/14/22/53/511142253.db2.gz MGEQRXJDTWMODE-OAHLLOKOSA-N 1 2 363.389 2.841 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000273536058 511530679 /nfs/dbraw/zinc/53/06/79/511530679.db2.gz XKJKFECOKREHBI-MEBBXXQBSA-N 1 2 351.349 2.841 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3ncc(C4CC4)o3)CC2)cc(OC)c1OC ZINC000273565613 511536052 /nfs/dbraw/zinc/53/60/52/511536052.db2.gz FDNGLUXMNQRJLA-UHFFFAOYSA-N 1 2 373.453 2.900 20 10 FFCDLO Fc1cc(CNc2cc(NCC3CC3)[nH+]cn2)ccc1N1CCOCC1 ZINC000301838099 511703694 /nfs/dbraw/zinc/70/36/94/511703694.db2.gz WMYUMDLXGHOURG-UHFFFAOYSA-N 1 2 357.433 2.886 20 10 FFCDLO Fc1cc(CNc2cc(NCC3CC3)nc[nH+]2)ccc1N1CCOCC1 ZINC000301838099 511703697 /nfs/dbraw/zinc/70/36/97/511703697.db2.gz WMYUMDLXGHOURG-UHFFFAOYSA-N 1 2 357.433 2.886 20 10 FFCDLO C[C@@H](c1cc([N+](=O)[O-])ccc1O)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296427256 511738400 /nfs/dbraw/zinc/73/84/00/511738400.db2.gz LRUBOJMVMBLFTK-MELADBBJSA-N 1 2 355.394 2.642 20 10 FFCDLO C[C@@H](c1cc([N+](=O)[O-])ccc1O)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296427256 511738405 /nfs/dbraw/zinc/73/84/05/511738405.db2.gz LRUBOJMVMBLFTK-MELADBBJSA-N 1 2 355.394 2.642 20 10 FFCDLO CN(C)c1ccc(CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000366112744 511847098 /nfs/dbraw/zinc/84/70/98/511847098.db2.gz IKTCPSXXLYSULI-HNNXBMFYSA-N 1 2 353.470 2.707 20 10 FFCDLO CN(C)c1ccc(CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000366112744 511847099 /nfs/dbraw/zinc/84/70/99/511847099.db2.gz IKTCPSXXLYSULI-HNNXBMFYSA-N 1 2 353.470 2.707 20 10 FFCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(F)cc1 ZINC000111238368 728535464 /nfs/dbraw/zinc/53/54/64/728535464.db2.gz GTYBLFQAYYFRTP-KRWDZBQOSA-N 1 2 367.804 2.893 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(F)cc1 ZINC000111238368 728535466 /nfs/dbraw/zinc/53/54/66/728535466.db2.gz GTYBLFQAYYFRTP-KRWDZBQOSA-N 1 2 367.804 2.893 20 10 FFCDLO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000779196010 738442683 /nfs/dbraw/zinc/44/26/83/738442683.db2.gz MVODMGAAXRULME-QMMMGPOBSA-N 1 2 354.731 2.685 20 10 FFCDLO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000779196010 738442685 /nfs/dbraw/zinc/44/26/85/738442685.db2.gz MVODMGAAXRULME-QMMMGPOBSA-N 1 2 354.731 2.685 20 10 FFCDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781908411 738671020 /nfs/dbraw/zinc/67/10/20/738671020.db2.gz ISKNRTDUTLDHEG-LLVKDONJSA-N 1 2 364.305 2.718 20 10 FFCDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781908411 738671022 /nfs/dbraw/zinc/67/10/22/738671022.db2.gz ISKNRTDUTLDHEG-LLVKDONJSA-N 1 2 364.305 2.718 20 10 FFCDLO COCC1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOCC1 ZINC000883126095 733338958 /nfs/dbraw/zinc/33/89/58/733338958.db2.gz FPFHCEJBRXEESQ-UHFFFAOYSA-N 1 2 362.239 2.827 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000893995361 734783955 /nfs/dbraw/zinc/78/39/55/734783955.db2.gz VLGTVFVHIUCVQI-SNVBAGLBSA-N 1 2 360.223 2.879 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000893995361 734783958 /nfs/dbraw/zinc/78/39/58/734783958.db2.gz VLGTVFVHIUCVQI-SNVBAGLBSA-N 1 2 360.223 2.879 20 10 FFCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H]1COCCO1 ZINC000895260095 734982985 /nfs/dbraw/zinc/98/29/85/734982985.db2.gz OBQOTGWYNKEJNO-LLVKDONJSA-N 1 2 350.640 2.655 20 10 FFCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H]1COCCO1 ZINC000895260095 734982986 /nfs/dbraw/zinc/98/29/86/734982986.db2.gz OBQOTGWYNKEJNO-LLVKDONJSA-N 1 2 350.640 2.655 20 10 FFCDLO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756448280 736332110 /nfs/dbraw/zinc/33/21/10/736332110.db2.gz BDBBJGJDQOPPCM-UWVGGRQHSA-N 1 2 359.239 2.955 20 10 FFCDLO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756537138 736339734 /nfs/dbraw/zinc/33/97/34/736339734.db2.gz WUXROMAQAPZMSV-QMMMGPOBSA-N 1 2 370.696 2.893 20 10 FFCDLO COCCCN(C)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756613016 736347258 /nfs/dbraw/zinc/34/72/58/736347258.db2.gz NGNUVXAWFSANAU-NSHDSACASA-N 1 2 363.271 2.913 20 10 FFCDLO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Br)cc(Cl)c1O ZINC000756610120 736347334 /nfs/dbraw/zinc/34/73/34/736347334.db2.gz IDLDIAIMOXUCEK-SDBXPKJASA-N 1 2 374.666 2.926 20 10 FFCDLO CC(C)N1C[C@@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000756739807 736357141 /nfs/dbraw/zinc/35/71/41/736357141.db2.gz ZEEOUTPMACHOHN-KOLCDFICSA-N 1 2 359.239 2.954 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3cscn3)CC2)c1O ZINC000761192190 736705794 /nfs/dbraw/zinc/70/57/94/736705794.db2.gz GIRRXURXHMFTLI-UHFFFAOYSA-N 1 2 353.875 2.829 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+]C1(c2ncccn2)CCOCC1 ZINC000923009523 738230216 /nfs/dbraw/zinc/23/02/16/738230216.db2.gz KQYLIIXTTPOVFW-UHFFFAOYSA-N 1 2 364.243 2.740 20 10 FFCDLO O=S(=O)(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccoc1 ZINC000795851123 740071055 /nfs/dbraw/zinc/07/10/55/740071055.db2.gz ASPCVORWTHKHDR-AWEZNQCLSA-N 1 2 370.858 2.582 20 10 FFCDLO O=S(=O)(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccoc1 ZINC000795851123 740071059 /nfs/dbraw/zinc/07/10/59/740071059.db2.gz ASPCVORWTHKHDR-AWEZNQCLSA-N 1 2 370.858 2.582 20 10 FFCDLO Cc1nccc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)n1 ZINC000825513352 743284765 /nfs/dbraw/zinc/28/47/65/743284765.db2.gz HVFCPNVZYAJMTK-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO COC[C@@](C)(O)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000834844581 745913478 /nfs/dbraw/zinc/91/34/78/745913478.db2.gz RMSPKTHFULRQNB-OTYXRUKQSA-N 1 2 350.228 2.732 20 10 FFCDLO Cc1cc(C)c(NC(=O)C(=O)NCCCSc2nccs2)c(C)[nH+]1 ZINC000839499021 746840749 /nfs/dbraw/zinc/84/07/49/746840749.db2.gz SNKLNKIPSUDFLA-UHFFFAOYSA-N 1 2 364.496 2.700 20 10 FFCDLO Cc1cc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cs1 ZINC000841495431 747369692 /nfs/dbraw/zinc/36/96/92/747369692.db2.gz IJMKJALODPPMGB-GXDHUFHOSA-N 1 2 368.549 2.980 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)c(F)cc1O ZINC000846205658 748430091 /nfs/dbraw/zinc/43/00/91/748430091.db2.gz JGNWMKIHTSABRE-ZJUUUORDSA-N 1 2 371.250 2.955 20 10 FFCDLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Br)cc1O ZINC000848557797 748960168 /nfs/dbraw/zinc/96/01/68/748960168.db2.gz LMJJTFIXNKHRQQ-ZANVPECISA-N 1 2 367.247 2.975 20 10 FFCDLO C[C@H](C[NH2+]Cc1cccc(Br)c1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848562004 748961070 /nfs/dbraw/zinc/96/10/70/748961070.db2.gz FFISMZNMSQPVGC-UPJWGTAASA-N 1 2 357.292 2.742 20 10 FFCDLO CC[C@H]([NH2+]Cc1nc(COC)n[nH]1)c1cc(Br)ccc1O ZINC000850512900 749378650 /nfs/dbraw/zinc/37/86/50/749378650.db2.gz BUVNWXPAYJKLQO-NSHDSACASA-N 1 2 355.236 2.660 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CCOC3=O)CC2)c1O ZINC000852722854 749932707 /nfs/dbraw/zinc/93/27/07/749932707.db2.gz IYPSQLQJFJPULX-UHFFFAOYSA-N 1 2 352.818 2.665 20 10 FFCDLO O=C1COCC2(C[NH+](Cc3c(O)cccc3Cl)C2)N1CC1CCCC1 ZINC001275841643 1013072117 /nfs/dbraw/zinc/07/21/17/1013072117.db2.gz ABBROZAFGPYVBU-UHFFFAOYSA-N 1 2 364.873 2.649 20 10 FFCDLO Cn1cc([C@H]2C[N@H+](Cc3cc(F)cc(F)c3O)CC23CCOCC3)cn1 ZINC000894888669 966094806 /nfs/dbraw/zinc/09/48/06/966094806.db2.gz PCFBMVVYDILBEV-MRXNPFEDSA-N 1 2 363.408 2.800 20 10 FFCDLO Cn1cc([C@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)CC23CCOCC3)cn1 ZINC000894888669 966094820 /nfs/dbraw/zinc/09/48/20/966094820.db2.gz PCFBMVVYDILBEV-MRXNPFEDSA-N 1 2 363.408 2.800 20 10 FFCDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)c1 ZINC000825737360 1013835259 /nfs/dbraw/zinc/83/52/59/1013835259.db2.gz ZWEPDZORMDLCRR-CYBMUJFWSA-N 1 2 374.412 2.765 20 10 FFCDLO Cc1cc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)n(C)n1 ZINC001205941016 1032077019 /nfs/dbraw/zinc/07/70/19/1032077019.db2.gz ICIVATKWDUZQSE-UHFFFAOYSA-N 1 2 354.376 2.949 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c(C)n1-c1cccc(C)c1 ZINC000898883538 976745893 /nfs/dbraw/zinc/74/58/93/976745893.db2.gz KULUXYKPUNUOMF-SFHVURJKSA-N 1 2 352.438 2.599 20 10 FFCDLO CNC(=O)CC[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C ZINC000728928152 977519574 /nfs/dbraw/zinc/51/95/74/977519574.db2.gz NBYOPVVWMOASIL-UHFFFAOYSA-N 1 2 359.445 2.792 20 10 FFCDLO CNC(=O)CC[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C ZINC000728928152 977519584 /nfs/dbraw/zinc/51/95/84/977519584.db2.gz NBYOPVVWMOASIL-UHFFFAOYSA-N 1 2 359.445 2.792 20 10 FFCDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCO2 ZINC000796433514 1014679438 /nfs/dbraw/zinc/67/94/38/1014679438.db2.gz FHCPVDMPCJEMLF-UHFFFAOYSA-N 1 2 367.493 2.914 20 10 FFCDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCO2 ZINC000796433514 1014679446 /nfs/dbraw/zinc/67/94/46/1014679446.db2.gz FHCPVDMPCJEMLF-UHFFFAOYSA-N 1 2 367.493 2.914 20 10 FFCDLO Nc1ccc(CCNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000841962437 982475311 /nfs/dbraw/zinc/47/53/11/982475311.db2.gz PNEMGIOLOOCCHB-QPJJXVBHSA-N 1 2 364.493 2.852 20 10 FFCDLO COC(=O)c1ccccc1N1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142527580 982581336 /nfs/dbraw/zinc/58/13/36/982581336.db2.gz ZUGOEGDSHGDTQY-UHFFFAOYSA-N 1 2 362.376 2.779 20 10 FFCDLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 ZINC000922340431 988454810 /nfs/dbraw/zinc/45/48/10/988454810.db2.gz YJJXIBUUDODEFQ-UHFFFAOYSA-N 1 2 370.497 2.964 20 10 FFCDLO COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000824321262 996885927 /nfs/dbraw/zinc/88/59/27/996885927.db2.gz RQEKDSLJIQXPDA-HNNXBMFYSA-N 1 2 365.437 2.991 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001144307810 998303968 /nfs/dbraw/zinc/30/39/68/998303968.db2.gz IHLWYABSPAEFSK-NSHDSACASA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001144307810 998303980 /nfs/dbraw/zinc/30/39/80/998303980.db2.gz IHLWYABSPAEFSK-NSHDSACASA-N 1 2 355.211 2.722 20 10 FFCDLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768200634 1000191058 /nfs/dbraw/zinc/19/10/58/1000191058.db2.gz PNMVIZXMOYJHBU-UHFFFAOYSA-N 1 2 362.474 2.932 20 10 FFCDLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768200634 1000191059 /nfs/dbraw/zinc/19/10/59/1000191059.db2.gz PNMVIZXMOYJHBU-UHFFFAOYSA-N 1 2 362.474 2.932 20 10 FFCDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442760 1000249456 /nfs/dbraw/zinc/24/94/56/1000249456.db2.gz NSHBIBKHQNLMPZ-LJQANCHMSA-N 1 2 351.406 2.636 20 10 FFCDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442760 1000249464 /nfs/dbraw/zinc/24/94/64/1000249464.db2.gz NSHBIBKHQNLMPZ-LJQANCHMSA-N 1 2 351.406 2.636 20 10 FFCDLO CCc1ccc(CN2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)s1 ZINC000768445771 1000250248 /nfs/dbraw/zinc/25/02/48/1000250248.db2.gz JDWFCVTZDHGIGE-LJQANCHMSA-N 1 2 374.506 2.760 20 10 FFCDLO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)ccc1N1CCCCC1 ZINC000769558419 1000547886 /nfs/dbraw/zinc/54/78/86/1000547886.db2.gz WOOSDWRLEICUCR-LJQANCHMSA-N 1 2 361.442 2.576 20 10 FFCDLO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)ccc1N1CCCCC1 ZINC000769558419 1000547892 /nfs/dbraw/zinc/54/78/92/1000547892.db2.gz WOOSDWRLEICUCR-LJQANCHMSA-N 1 2 361.442 2.576 20 10 FFCDLO COc1ccc(N2CCCN(C(=O)c3cccc4[nH+]ccn43)CC2)cc1 ZINC000770410390 1000775413 /nfs/dbraw/zinc/77/54/13/1000775413.db2.gz KKKCFQKJFHCPFF-UHFFFAOYSA-N 1 2 350.422 2.695 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000787334087 1001682497 /nfs/dbraw/zinc/68/24/97/1001682497.db2.gz GCFSSUDMJPNQLW-DJPFJPOOSA-N 1 2 365.477 2.863 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000787334087 1001682498 /nfs/dbraw/zinc/68/24/98/1001682498.db2.gz GCFSSUDMJPNQLW-DJPFJPOOSA-N 1 2 365.477 2.863 20 10 FFCDLO C[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cc(F)cc(F)c1O ZINC000788608557 1001824960 /nfs/dbraw/zinc/82/49/60/1001824960.db2.gz JVZOLZNKHANOOW-NSHDSACASA-N 1 2 361.392 2.687 20 10 FFCDLO C[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cc(F)cc(F)c1O ZINC000788608557 1001824971 /nfs/dbraw/zinc/82/49/71/1001824971.db2.gz JVZOLZNKHANOOW-NSHDSACASA-N 1 2 361.392 2.687 20 10 FFCDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000789773814 1002200110 /nfs/dbraw/zinc/20/01/10/1002200110.db2.gz DJCNTWMIRISGSY-HOTGVXAUSA-N 1 2 355.390 3.000 20 10 FFCDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000789773814 1002200116 /nfs/dbraw/zinc/20/01/16/1002200116.db2.gz DJCNTWMIRISGSY-HOTGVXAUSA-N 1 2 355.390 3.000 20 10 FFCDLO C[NH+](C)CCCCC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001184059677 1002484317 /nfs/dbraw/zinc/48/43/17/1002484317.db2.gz MGXLJWNYZGRFRN-UHFFFAOYSA-N 1 2 366.417 2.838 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775052532 1003433873 /nfs/dbraw/zinc/43/38/73/1003433873.db2.gz UYWJJGMDBBAMGH-INIZCTEOSA-N 1 2 358.394 2.753 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775052532 1003433877 /nfs/dbraw/zinc/43/38/77/1003433877.db2.gz UYWJJGMDBBAMGH-INIZCTEOSA-N 1 2 358.394 2.753 20 10 FFCDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(O)c(O)c1Cl ZINC001193236862 1004412999 /nfs/dbraw/zinc/41/29/99/1004412999.db2.gz RZMYBDPEZPDERX-UHFFFAOYSA-N 1 2 368.861 2.516 20 10 FFCDLO COc1cc(O)c(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000775642564 1004908240 /nfs/dbraw/zinc/90/82/40/1004908240.db2.gz FHBHKNCARROTOH-UHFFFAOYSA-N 1 2 355.394 2.690 20 10 FFCDLO COc1cc(O)c(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000775642564 1004908248 /nfs/dbraw/zinc/90/82/48/1004908248.db2.gz FHBHKNCARROTOH-UHFFFAOYSA-N 1 2 355.394 2.690 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)NCc3c[nH+]c(C)cc3C)C2)cc1 ZINC000852373553 1005995779 /nfs/dbraw/zinc/99/57/79/1005995779.db2.gz BZBOIBQEBCEIDZ-QGZVFWFLSA-N 1 2 354.454 2.785 20 10 FFCDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1 ZINC000852696936 1006145436 /nfs/dbraw/zinc/14/54/36/1006145436.db2.gz TUUCZCRDEBFUTC-FZNQNYSPSA-N 1 2 373.428 2.694 20 10 FFCDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1 ZINC000852696936 1006145447 /nfs/dbraw/zinc/14/54/47/1006145447.db2.gz TUUCZCRDEBFUTC-FZNQNYSPSA-N 1 2 373.428 2.694 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c1 ZINC000815658242 1006728960 /nfs/dbraw/zinc/72/89/60/1006728960.db2.gz XBQXBIDZMJHUMQ-CYBMUJFWSA-N 1 2 352.394 2.610 20 10 FFCDLO Cc1cc(CNC(=O)NCCc2cn(C)c[nH+]2)c(C)n1-c1ccccc1 ZINC000858532561 1008376494 /nfs/dbraw/zinc/37/64/94/1008376494.db2.gz MQSNBBSPYYCYOX-UHFFFAOYSA-N 1 2 351.454 2.870 20 10 FFCDLO O=C(CCc1[nH]cc[nH+]1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001177998909 1008817973 /nfs/dbraw/zinc/81/79/73/1008817973.db2.gz ZSPFCZYSVXGUDT-UHFFFAOYSA-N 1 2 368.359 2.590 20 10 FFCDLO C/C(=C/C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C[NH+]1CCOCC1 ZINC001136705104 1009004280 /nfs/dbraw/zinc/00/42/80/1009004280.db2.gz AWHUGTBMKQDOCR-CYVLTUHYSA-N 1 2 371.525 2.818 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000861663895 1009500780 /nfs/dbraw/zinc/50/07/80/1009500780.db2.gz OTFZJVADXOFKBO-QGZVFWFLSA-N 1 2 362.433 2.848 20 10 FFCDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)[nH]1 ZINC001179975100 1009513245 /nfs/dbraw/zinc/51/32/45/1009513245.db2.gz UBQWUNYHTSMGSW-UHFFFAOYSA-N 1 2 361.417 2.661 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCc3nnc(-c4cnn(C)c4)cc3C2)cc1F ZINC000828104180 1032600096 /nfs/dbraw/zinc/60/00/96/1032600096.db2.gz MAWNGWUNNZIFEH-UHFFFAOYSA-N 1 2 366.444 2.641 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCc3nnc(-c4cnn(C)c4)cc3C2)cc1F ZINC000828104180 1032600101 /nfs/dbraw/zinc/60/01/01/1032600101.db2.gz MAWNGWUNNZIFEH-UHFFFAOYSA-N 1 2 366.444 2.641 20 10 FFCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(F)cc3F)C1)[C@@H](O)CO2 ZINC000777570933 1017810087 /nfs/dbraw/zinc/81/00/87/1017810087.db2.gz ZVVCVRFECQSSBY-PKOBYXMFSA-N 1 2 363.360 2.670 20 10 FFCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(F)cc3F)C1)[C@@H](O)CO2 ZINC000777570933 1017810101 /nfs/dbraw/zinc/81/01/01/1017810101.db2.gz ZVVCVRFECQSSBY-PKOBYXMFSA-N 1 2 363.360 2.670 20 10 FFCDLO COC(=O)/C=C\c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000931275646 1020400435 /nfs/dbraw/zinc/40/04/35/1020400435.db2.gz CNRSYHREGJEZKZ-VURMDHGXSA-N 1 2 368.393 2.503 20 10 FFCDLO COc1ccc(N2CCN(C(=O)Nc3ccc(C)[nH+]c3N(C)C)CC2)cc1 ZINC000750403510 1021919287 /nfs/dbraw/zinc/91/92/87/1021919287.db2.gz TTWXLYQNSJSMIG-UHFFFAOYSA-N 1 2 369.469 2.819 20 10 FFCDLO COc1cccc(OCC[NH+]2CCN(Cc3cc(F)ccc3O)CC2)c1 ZINC000779025973 1022671712 /nfs/dbraw/zinc/67/17/12/1022671712.db2.gz RSJDJKPCOBLHQW-UHFFFAOYSA-N 1 2 360.429 2.737 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+]3CC[C@H](OC)C3)c2C)cc1 ZINC000752320991 1023115716 /nfs/dbraw/zinc/11/57/16/1023115716.db2.gz MBTMRHFFTDKIOV-SFHVURJKSA-N 1 2 370.449 2.784 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+]3CC[C@H](OC)C3)c2C)cc1 ZINC000752320991 1023115723 /nfs/dbraw/zinc/11/57/23/1023115723.db2.gz MBTMRHFFTDKIOV-SFHVURJKSA-N 1 2 370.449 2.784 20 10 FFCDLO CCS(=O)(=O)N1CC[NH+](Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137859087 1033229495 /nfs/dbraw/zinc/22/94/95/1033229495.db2.gz IIASVACPVHYZAS-UHFFFAOYSA-N 1 2 361.511 2.561 20 10 FFCDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)c1 ZINC001141143363 1025516827 /nfs/dbraw/zinc/51/68/27/1025516827.db2.gz WCZCPMJJJRUGTA-UHFFFAOYSA-N 1 2 365.477 2.782 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc(O)c(OC)c(OC)c3)CC2)cc1 ZINC001141167828 1025555168 /nfs/dbraw/zinc/55/51/68/1025555168.db2.gz BMNUEWNCOUCTJD-UHFFFAOYSA-N 1 2 358.438 2.740 20 10 FFCDLO O=C1NCC[C@@]12CCC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141369368 1026050403 /nfs/dbraw/zinc/05/04/03/1026050403.db2.gz QLAHKHBKRBNBHU-OAHLLOKOSA-N 1 2 373.678 2.910 20 10 FFCDLO O=C1NCC[C@@]12CCC[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141369368 1026050417 /nfs/dbraw/zinc/05/04/17/1026050417.db2.gz QLAHKHBKRBNBHU-OAHLLOKOSA-N 1 2 373.678 2.910 20 10 FFCDLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1cc(F)cc(C(C)=O)c1O ZINC000839124395 1026595606 /nfs/dbraw/zinc/59/56/06/1026595606.db2.gz XIIVJJAUKCLECP-UHFFFAOYSA-N 1 2 363.433 2.733 20 10 FFCDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cc(F)cc(C(C)=O)c1O ZINC000839124395 1026595610 /nfs/dbraw/zinc/59/56/10/1026595610.db2.gz XIIVJJAUKCLECP-UHFFFAOYSA-N 1 2 363.433 2.733 20 10 FFCDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N4CCCC4)cc3)[nH+]cn2)C1 ZINC000840242934 1027017092 /nfs/dbraw/zinc/01/70/92/1027017092.db2.gz FHFVPTGAERLONE-FUHWJXTLSA-N 1 2 367.497 2.896 20 10 FFCDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N4CCCC4)cc3)nc[nH+]2)C1 ZINC000840242934 1027017102 /nfs/dbraw/zinc/01/71/02/1027017102.db2.gz FHFVPTGAERLONE-FUHWJXTLSA-N 1 2 367.497 2.896 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000093608016 1027779913 /nfs/dbraw/zinc/77/99/13/1027779913.db2.gz NWUSRVIFKDHKCN-UHFFFAOYSA-N 1 2 368.437 2.619 20 10 FFCDLO CCc1cc(N2CCN(c3ccc(OC)cc3OC)CC2)nc(CC)[nH+]1 ZINC001163952255 1029125179 /nfs/dbraw/zinc/12/51/79/1029125179.db2.gz AMBCCJCDVHNABB-UHFFFAOYSA-N 1 2 356.470 2.945 20 10 FFCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001142517140 1030566743 /nfs/dbraw/zinc/56/67/43/1030566743.db2.gz BIMNLQZUHNEWLX-UHFFFAOYSA-N 1 2 359.380 2.518 20 10 FFCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001142517140 1030566751 /nfs/dbraw/zinc/56/67/51/1030566751.db2.gz BIMNLQZUHNEWLX-UHFFFAOYSA-N 1 2 359.380 2.518 20 10 FFCDLO COc1ccc2c(c1)[nH+]ccc2N(C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001203524986 1030744034 /nfs/dbraw/zinc/74/40/34/1030744034.db2.gz LCRFFXCXRZLOOJ-UHFFFAOYSA-N 1 2 357.435 2.792 20 10 FFCDLO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c(O)c1 ZINC001203621460 1030789119 /nfs/dbraw/zinc/78/91/19/1030789119.db2.gz VBNFFKIPCKUMFK-CQSZACIVSA-N 1 2 354.422 2.792 20 10 FFCDLO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c(O)c1 ZINC001203621460 1030789136 /nfs/dbraw/zinc/78/91/36/1030789136.db2.gz VBNFFKIPCKUMFK-CQSZACIVSA-N 1 2 354.422 2.792 20 10 FFCDLO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)c1 ZINC001203684516 1030826197 /nfs/dbraw/zinc/82/61/97/1030826197.db2.gz YRECBQMHAZVKHW-HNNXBMFYSA-N 1 2 351.443 2.724 20 10 FFCDLO COc1ccc(O)c(C[N@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)c1 ZINC001203684516 1030826206 /nfs/dbraw/zinc/82/62/06/1030826206.db2.gz YRECBQMHAZVKHW-HNNXBMFYSA-N 1 2 351.443 2.724 20 10 FFCDLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2ccc(O)c(O)c2)C[C@@H]2CCCO[C@H]12 ZINC001203878528 1030952091 /nfs/dbraw/zinc/95/20/91/1030952091.db2.gz VENBZNHCLLMBPY-CDXJDZJCSA-N 1 2 372.465 2.802 20 10 FFCDLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2ccc(O)c(O)c2)C[C@@H]2CCCO[C@H]12 ZINC001203878528 1030952107 /nfs/dbraw/zinc/95/21/07/1030952107.db2.gz VENBZNHCLLMBPY-CDXJDZJCSA-N 1 2 372.465 2.802 20 10 FFCDLO COC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204235938 1031181078 /nfs/dbraw/zinc/18/10/78/1031181078.db2.gz RIACFBKYTVYJAX-FQEVSTJZSA-N 1 2 365.481 2.780 20 10 FFCDLO COC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204235938 1031181086 /nfs/dbraw/zinc/18/10/86/1031181086.db2.gz RIACFBKYTVYJAX-FQEVSTJZSA-N 1 2 365.481 2.780 20 10 FFCDLO COC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204235939 1031181739 /nfs/dbraw/zinc/18/17/39/1031181739.db2.gz RIACFBKYTVYJAX-HXUWFJFHSA-N 1 2 365.481 2.780 20 10 FFCDLO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204235939 1031181746 /nfs/dbraw/zinc/18/17/46/1031181746.db2.gz RIACFBKYTVYJAX-HXUWFJFHSA-N 1 2 365.481 2.780 20 10 FFCDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1 ZINC000799762539 1031871753 /nfs/dbraw/zinc/87/17/53/1031871753.db2.gz DJPHGBJODKZSFE-OAHLLOKOSA-N 1 2 370.449 2.843 20 10 FFCDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1 ZINC000799762539 1031871768 /nfs/dbraw/zinc/87/17/68/1031871768.db2.gz DJPHGBJODKZSFE-OAHLLOKOSA-N 1 2 370.449 2.843 20 10 FFCDLO COC(=O)c1cc(Br)c(O)c(CN2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205843974 1032030254 /nfs/dbraw/zinc/03/02/54/1032030254.db2.gz UXLSUIOQGYCCIO-ZWNOBZJWSA-N 1 2 371.275 2.501 20 10 FFCDLO O=C1C[C@]2(CN1CC(F)F)CCCC[N@H+]2Cc1ccc(F)c(F)c1O ZINC001276947899 1033722917 /nfs/dbraw/zinc/72/29/17/1033722917.db2.gz CTIRFYRKOIFQMU-KRWDZBQOSA-N 1 2 360.351 2.893 20 10 FFCDLO O=C1C[C@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1ccc(F)c(F)c1O ZINC001276947899 1033722930 /nfs/dbraw/zinc/72/29/30/1033722930.db2.gz CTIRFYRKOIFQMU-KRWDZBQOSA-N 1 2 360.351 2.893 20 10 FFCDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCc1c(O)cccc1F ZINC001220507598 1034228749 /nfs/dbraw/zinc/22/87/49/1034228749.db2.gz ASTKTCFTPGJTAU-UHFFFAOYSA-N 1 2 354.385 2.776 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001139133203 1034962204 /nfs/dbraw/zinc/96/22/04/1034962204.db2.gz DYEFULDEYKXXSB-UHFFFAOYSA-N 1 2 372.465 2.886 20 10 FFCDLO Cc1cc(C[N@@H+]2CCc3onc(C(=O)NC(C)C)c3C2)ccc1N(C)C ZINC001139672293 1035194431 /nfs/dbraw/zinc/19/44/31/1035194431.db2.gz VHGWOLHRNFSUDG-UHFFFAOYSA-N 1 2 356.470 2.746 20 10 FFCDLO Cc1cc(C[N@H+]2CCc3onc(C(=O)NC(C)C)c3C2)ccc1N(C)C ZINC001139672293 1035194432 /nfs/dbraw/zinc/19/44/32/1035194432.db2.gz VHGWOLHRNFSUDG-UHFFFAOYSA-N 1 2 356.470 2.746 20 10 FFCDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001140058202 1035325724 /nfs/dbraw/zinc/32/57/24/1035325724.db2.gz UDQROSSTGNXLEK-HNNXBMFYSA-N 1 2 354.422 2.599 20 10 FFCDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1O ZINC001140058202 1035325728 /nfs/dbraw/zinc/32/57/28/1035325728.db2.gz UDQROSSTGNXLEK-HNNXBMFYSA-N 1 2 354.422 2.599 20 10 FFCDLO COCc1noc2c1C[N@H+](Cc1c(O)cccc1Br)CC2 ZINC001140099604 1035342202 /nfs/dbraw/zinc/34/22/02/1035342202.db2.gz MMAVTDGOANRVRG-UHFFFAOYSA-N 1 2 353.216 2.847 20 10 FFCDLO COCc1noc2c1C[N@@H+](Cc1c(O)cccc1Br)CC2 ZINC001140099604 1035342205 /nfs/dbraw/zinc/34/22/05/1035342205.db2.gz MMAVTDGOANRVRG-UHFFFAOYSA-N 1 2 353.216 2.847 20 10 FFCDLO CN(C)c1ccc(/C=C/C[NH+]2CCN(C(=O)c3cccn3C)CC2)cc1 ZINC000835025992 1035489204 /nfs/dbraw/zinc/48/92/04/1035489204.db2.gz PQYPKLPXJRHFHH-GQCTYLIASA-N 1 2 352.482 2.562 20 10 FFCDLO O=C(c1ccsc1)N1C[C@@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140581132 1035661102 /nfs/dbraw/zinc/66/11/02/1035661102.db2.gz QTJAPUPZCDNPJU-BETUJISGSA-N 1 2 364.417 2.936 20 10 FFCDLO O=C(c1ccsc1)N1C[C@@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140581132 1035661109 /nfs/dbraw/zinc/66/11/09/1035661109.db2.gz QTJAPUPZCDNPJU-BETUJISGSA-N 1 2 364.417 2.936 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001140580815 1035662251 /nfs/dbraw/zinc/66/22/51/1035662251.db2.gz GWKMQLIUCMPVEA-KXBFYZLASA-N 1 2 362.376 2.878 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001140580815 1035662259 /nfs/dbraw/zinc/66/22/59/1035662259.db2.gz GWKMQLIUCMPVEA-KXBFYZLASA-N 1 2 362.376 2.878 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232703 1035681893 /nfs/dbraw/zinc/68/18/93/1035681893.db2.gz XNKQDVKOEHETRS-ACJLOTCBSA-N 1 2 352.862 2.647 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232703 1035681903 /nfs/dbraw/zinc/68/19/03/1035681903.db2.gz XNKQDVKOEHETRS-ACJLOTCBSA-N 1 2 352.862 2.647 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[NH+]3CC(C)(O)C3)c2)nc1C ZINC001232452694 1035696579 /nfs/dbraw/zinc/69/65/79/1035696579.db2.gz ZGPOUOUAKQWZHC-UHFFFAOYSA-N 1 2 362.451 2.567 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3c[nH]c4ccncc34)CC2)c(OC)c1 ZINC001140805433 1036189760 /nfs/dbraw/zinc/18/97/60/1036189760.db2.gz FOTXJLUSTAGMJU-UHFFFAOYSA-N 1 2 352.438 2.902 20 10 FFCDLO Oc1cc(C[NH+]2CCN(c3nccc4ccccc43)CC2)cc(O)c1O ZINC001233013657 1036248303 /nfs/dbraw/zinc/24/83/03/1036248303.db2.gz ROHIEUAFUZHXJL-UHFFFAOYSA-N 1 2 351.406 2.674 20 10 FFCDLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014718 1036250329 /nfs/dbraw/zinc/25/03/29/1036250329.db2.gz BVAINFHLFWVYDN-WCQYABFASA-N 1 2 352.431 2.681 20 10 FFCDLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014718 1036250343 /nfs/dbraw/zinc/25/03/43/1036250343.db2.gz BVAINFHLFWVYDN-WCQYABFASA-N 1 2 352.431 2.681 20 10 FFCDLO COc1cc(Cl)cc(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)c1O ZINC001233288214 1036492578 /nfs/dbraw/zinc/49/25/78/1036492578.db2.gz BZVFLEAPSUXMLU-UHFFFAOYSA-N 1 2 374.828 2.845 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCN(c3nccnc3Cl)CC2)c1O ZINC001233288086 1036492683 /nfs/dbraw/zinc/49/26/83/1036492683.db2.gz VERSGHPICFYJNT-UHFFFAOYSA-N 1 2 369.252 2.820 20 10 FFCDLO CCOC(=O)c1ccnc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001233323431 1036529550 /nfs/dbraw/zinc/52/95/50/1036529550.db2.gz UDNZBYUAVBHJGC-UHFFFAOYSA-N 1 2 355.438 2.589 20 10 FFCDLO O=C1N(C2COC2)CC[C@]12CCC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277830333 1036910014 /nfs/dbraw/zinc/91/00/14/1036910014.db2.gz PXYQMFUJMLCTIM-QGZVFWFLSA-N 1 2 371.264 2.665 20 10 FFCDLO O=C1N(C2COC2)CC[C@]12CCC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277830333 1036910027 /nfs/dbraw/zinc/91/00/27/1036910027.db2.gz PXYQMFUJMLCTIM-QGZVFWFLSA-N 1 2 371.264 2.665 20 10 FFCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)CC12CC2 ZINC001235075057 1037345853 /nfs/dbraw/zinc/34/58/53/1037345853.db2.gz ISALQBZLPQEGGQ-LLVKDONJSA-N 1 2 358.207 2.679 20 10 FFCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)CC12CC2 ZINC001235075057 1037345866 /nfs/dbraw/zinc/34/58/66/1037345866.db2.gz ISALQBZLPQEGGQ-LLVKDONJSA-N 1 2 358.207 2.679 20 10 FFCDLO O=C1NCCC2(CC[NH+](Cc3cc(F)cc(Br)c3O)CC2)O1 ZINC001235304925 1037464350 /nfs/dbraw/zinc/46/43/50/1037464350.db2.gz GNHZPXAGAHAJCB-UHFFFAOYSA-N 1 2 373.222 2.758 20 10 FFCDLO Cc1noc([C@H]2CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235305607 1037464491 /nfs/dbraw/zinc/46/44/91/1037464491.db2.gz OUIQDVGHBIVZCB-VIFPVBQESA-N 1 2 356.195 2.975 20 10 FFCDLO Cc1noc([C@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235305607 1037464495 /nfs/dbraw/zinc/46/44/95/1037464495.db2.gz OUIQDVGHBIVZCB-VIFPVBQESA-N 1 2 356.195 2.975 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235857314 1037798399 /nfs/dbraw/zinc/79/83/99/1037798399.db2.gz YKRPWFXHIKFCOS-KRWDZBQOSA-N 1 2 364.445 2.824 20 10 FFCDLO Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001231843346 1037941668 /nfs/dbraw/zinc/94/16/68/1037941668.db2.gz WMJOXAKLMSIAQU-SJLPKXTDSA-N 1 2 362.470 2.829 20 10 FFCDLO Cc1cc(C)c(C[N@H+]2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001231843346 1037941684 /nfs/dbraw/zinc/94/16/84/1037941684.db2.gz WMJOXAKLMSIAQU-SJLPKXTDSA-N 1 2 362.470 2.829 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2nnn(CC)c21 ZINC001231851741 1037949128 /nfs/dbraw/zinc/94/91/28/1037949128.db2.gz BBXJTJWOTUGPME-MRXNPFEDSA-N 1 2 373.501 2.509 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2nnn(CC)c21 ZINC001231851741 1037949139 /nfs/dbraw/zinc/94/91/39/1037949139.db2.gz BBXJTJWOTUGPME-MRXNPFEDSA-N 1 2 373.501 2.509 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CCC(NC(=O)C(F)(F)F)CC2)cc1Cl ZINC001231870744 1037967400 /nfs/dbraw/zinc/96/74/00/1037967400.db2.gz RHKMLKWMPBQJEB-UHFFFAOYSA-N 1 2 350.768 2.997 20 10 FFCDLO O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911753 1038009587 /nfs/dbraw/zinc/00/95/87/1038009587.db2.gz LOAQYXUWPGUGKN-IBGZPJMESA-N 1 2 372.856 2.855 20 10 FFCDLO O=C1N(c2cncnc2)CC[C@]12CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911753 1038009592 /nfs/dbraw/zinc/00/95/92/1038009592.db2.gz LOAQYXUWPGUGKN-IBGZPJMESA-N 1 2 372.856 2.855 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236789416 1038272127 /nfs/dbraw/zinc/27/21/27/1038272127.db2.gz PLSVCMMZEFQHNV-FQEVSTJZSA-N 1 2 371.433 2.735 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236789416 1038272136 /nfs/dbraw/zinc/27/21/36/1038272136.db2.gz PLSVCMMZEFQHNV-FQEVSTJZSA-N 1 2 371.433 2.735 20 10 FFCDLO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)c(Cl)cc2O)O1 ZINC001236793767 1038275149 /nfs/dbraw/zinc/27/51/49/1038275149.db2.gz PUYKCWDOTCWXPQ-BMFZPTHFSA-N 1 2 373.280 2.955 20 10 FFCDLO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)c(Cl)cc2O)O1 ZINC001236793767 1038275154 /nfs/dbraw/zinc/27/51/54/1038275154.db2.gz PUYKCWDOTCWXPQ-BMFZPTHFSA-N 1 2 373.280 2.955 20 10 FFCDLO COc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(OC)c(Cl)c3O)C2)nc1 ZINC001236810282 1038286482 /nfs/dbraw/zinc/28/64/82/1038286482.db2.gz RJDBLFXVCJDYRW-GFCCVEGCSA-N 1 2 365.817 2.506 20 10 FFCDLO COc1cnc(O[C@@H]2CC[N@@H+](Cc3ccc(OC)c(Cl)c3O)C2)nc1 ZINC001236810282 1038286492 /nfs/dbraw/zinc/28/64/92/1038286492.db2.gz RJDBLFXVCJDYRW-GFCCVEGCSA-N 1 2 365.817 2.506 20 10 FFCDLO Cc1cc(C[N@@H+]2CCN[C@@H](C(F)(F)F)C2)c(O)cc1Br ZINC001237001195 1038406097 /nfs/dbraw/zinc/40/60/97/1038406097.db2.gz UISGEGKEPXXRNC-GFCCVEGCSA-N 1 2 353.182 2.799 20 10 FFCDLO Cc1cc(C[N@H+]2CCN[C@@H](C(F)(F)F)C2)c(O)cc1Br ZINC001237001195 1038406102 /nfs/dbraw/zinc/40/61/02/1038406102.db2.gz UISGEGKEPXXRNC-GFCCVEGCSA-N 1 2 353.182 2.799 20 10 FFCDLO CCOc1ccc(C[N@@H+]2CCc3onc(C(=O)N(C)C(C)C)c3C2)c(O)c1 ZINC001237042911 1038420339 /nfs/dbraw/zinc/42/03/39/1038420339.db2.gz MEJBAIGVQFQEBZ-UHFFFAOYSA-N 1 2 373.453 2.818 20 10 FFCDLO CCOc1ccc(C[N@H+]2CCc3onc(C(=O)N(C)C(C)C)c3C2)c(O)c1 ZINC001237042911 1038420342 /nfs/dbraw/zinc/42/03/42/1038420342.db2.gz MEJBAIGVQFQEBZ-UHFFFAOYSA-N 1 2 373.453 2.818 20 10 FFCDLO COC[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cn(C)nc21 ZINC001237115879 1038447771 /nfs/dbraw/zinc/44/77/71/1038447771.db2.gz JJLXOSWIIVNUPQ-GFCCVEGCSA-N 1 2 371.359 2.770 20 10 FFCDLO COC[C@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cn(C)nc21 ZINC001237115879 1038447776 /nfs/dbraw/zinc/44/77/76/1038447776.db2.gz JJLXOSWIIVNUPQ-GFCCVEGCSA-N 1 2 371.359 2.770 20 10 FFCDLO C[NH+]1CCN(c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)CC1 ZINC001258946162 1039606293 /nfs/dbraw/zinc/60/62/93/1039606293.db2.gz QRKNZRVFUDUPQQ-UHFFFAOYSA-N 1 2 367.421 2.517 20 10 FFCDLO COc1cc(I)cc(C[N@H+](C)Cc2ccon2)c1O ZINC001248405766 1040260646 /nfs/dbraw/zinc/26/06/46/1040260646.db2.gz ZFEQMXUCWUMRIH-UHFFFAOYSA-N 1 2 374.178 2.625 20 10 FFCDLO COc1cc(I)cc(C[N@@H+](C)Cc2ccon2)c1O ZINC001248405766 1040260662 /nfs/dbraw/zinc/26/06/62/1040260662.db2.gz ZFEQMXUCWUMRIH-UHFFFAOYSA-N 1 2 374.178 2.625 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC3(CCC3)C2)cc1I ZINC001248462238 1040287346 /nfs/dbraw/zinc/28/73/46/1040287346.db2.gz RNQZYQDIFNHUAN-UHFFFAOYSA-N 1 2 359.207 2.991 20 10 FFCDLO O=S1(=O)CCN(c2ccc(C[N@H+](Cc3ccco3)C3CC3)cc2)CC1 ZINC001237210614 1043054610 /nfs/dbraw/zinc/05/46/10/1043054610.db2.gz RAUWEVJNZNQZJL-UHFFFAOYSA-N 1 2 360.479 2.679 20 10 FFCDLO O=S1(=O)CCN(c2ccc(C[N@@H+](Cc3ccco3)C3CC3)cc2)CC1 ZINC001237210614 1043054622 /nfs/dbraw/zinc/05/46/22/1043054622.db2.gz RAUWEVJNZNQZJL-UHFFFAOYSA-N 1 2 360.479 2.679 20 10 FFCDLO Oc1ccc(F)c(F)c1CN1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279491591 1043178336 /nfs/dbraw/zinc/17/83/36/1043178336.db2.gz WFIRIUKLWTYZPG-LJQANCHMSA-N 1 2 362.424 2.882 20 10 FFCDLO Oc1ccc(F)c(F)c1CN1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279491591 1043178340 /nfs/dbraw/zinc/17/83/40/1043178340.db2.gz WFIRIUKLWTYZPG-LJQANCHMSA-N 1 2 362.424 2.882 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1)N1CCCC1 ZINC001237623309 1043279805 /nfs/dbraw/zinc/27/98/05/1043279805.db2.gz LUQLHBQCCQLBFC-CQSZACIVSA-N 1 2 355.841 2.955 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)N1CCCC1 ZINC001237623309 1043279814 /nfs/dbraw/zinc/27/98/14/1043279814.db2.gz LUQLHBQCCQLBFC-CQSZACIVSA-N 1 2 355.841 2.955 20 10 FFCDLO Cc1cc(O)c(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1Br ZINC001237682271 1043309655 /nfs/dbraw/zinc/30/96/55/1043309655.db2.gz PIBYPNDQFFUNSV-LBPRGKRZSA-N 1 2 361.230 2.988 20 10 FFCDLO Cc1cc(O)c(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1Br ZINC001237682271 1043309660 /nfs/dbraw/zinc/30/96/60/1043309660.db2.gz PIBYPNDQFFUNSV-LBPRGKRZSA-N 1 2 361.230 2.988 20 10 FFCDLO Oc1c(I)cccc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237777957 1043350312 /nfs/dbraw/zinc/35/03/12/1043350312.db2.gz QPUMDJPDHIEQJT-RISCZKNCSA-N 1 2 373.234 2.998 20 10 FFCDLO CC(=O)C1CC[NH+](Cc2cccc(I)c2O)CC1 ZINC001237781186 1043354111 /nfs/dbraw/zinc/35/41/11/1043354111.db2.gz TVIQYFFEKWRCMV-UHFFFAOYSA-N 1 2 359.207 2.798 20 10 FFCDLO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)n1 ZINC001237803859 1043367606 /nfs/dbraw/zinc/36/76/06/1043367606.db2.gz VHMFLAMHUJOURF-CYBMUJFWSA-N 1 2 367.808 2.945 20 10 FFCDLO COc1cc(C)nc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)n1 ZINC001237803859 1043367614 /nfs/dbraw/zinc/36/76/14/1043367614.db2.gz VHMFLAMHUJOURF-CYBMUJFWSA-N 1 2 367.808 2.945 20 10 FFCDLO Oc1cc(Cl)c(F)cc1C[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC001237948321 1043451034 /nfs/dbraw/zinc/45/10/34/1043451034.db2.gz CMSSALJUKDBOOJ-UHFFFAOYSA-N 1 2 357.216 2.950 20 10 FFCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001279683870 1043463756 /nfs/dbraw/zinc/46/37/56/1043463756.db2.gz KPJPILJPIWSTFQ-GJZGRUSLSA-N 1 2 350.825 2.757 20 10 FFCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001279683870 1043463763 /nfs/dbraw/zinc/46/37/63/1043463763.db2.gz KPJPILJPIWSTFQ-GJZGRUSLSA-N 1 2 350.825 2.757 20 10 FFCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn[nH]c1 ZINC001279683870 1043463765 /nfs/dbraw/zinc/46/37/65/1043463765.db2.gz KPJPILJPIWSTFQ-GJZGRUSLSA-N 1 2 350.825 2.757 20 10 FFCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cn[nH]c1 ZINC001279683870 1043463769 /nfs/dbraw/zinc/46/37/69/1043463769.db2.gz KPJPILJPIWSTFQ-GJZGRUSLSA-N 1 2 350.825 2.757 20 10 FFCDLO CCOc1ccc(N2C[C@@H]3C[N@@H+](Cc4scnc4C)C[C@H](C2)O3)cc1 ZINC001279733095 1043550027 /nfs/dbraw/zinc/55/00/27/1043550027.db2.gz NAUYSRGWCNOBHG-HDICACEKSA-N 1 2 359.495 2.940 20 10 FFCDLO CCOc1ccc(N2C[C@@H]3C[N@H+](Cc4scnc4C)C[C@H](C2)O3)cc1 ZINC001279733095 1043550034 /nfs/dbraw/zinc/55/00/34/1043550034.db2.gz NAUYSRGWCNOBHG-HDICACEKSA-N 1 2 359.495 2.940 20 10 FFCDLO CC(C)(C)NC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2F)Cc2ccnn21 ZINC001280007145 1044078949 /nfs/dbraw/zinc/07/89/49/1044078949.db2.gz ZZKZFSDFKATUPU-INIZCTEOSA-N 1 2 360.433 2.590 20 10 FFCDLO CC(C)(C)NC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)Cc2ccnn21 ZINC001280007145 1044078961 /nfs/dbraw/zinc/07/89/61/1044078961.db2.gz ZZKZFSDFKATUPU-INIZCTEOSA-N 1 2 360.433 2.590 20 10 FFCDLO CCc1cn(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c[nH+]1 ZINC001459261538 1060732948 /nfs/dbraw/zinc/73/29/48/1060732948.db2.gz NIICCECIPMOVRU-GASCZTMLSA-N 1 2 374.460 2.515 20 10 FFCDLO OCC1(C[NH2+]Cc2cc(Br)cc(Br)c2O)CC1 ZINC001461271119 1061273143 /nfs/dbraw/zinc/27/31/43/1061273143.db2.gz YOJIDPNJJJNDBD-UHFFFAOYSA-N 1 2 365.065 2.779 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001469103450 1064092117 /nfs/dbraw/zinc/09/21/17/1064092117.db2.gz HSBDZADDZGYLPT-FOIQADDNSA-N 1 2 369.513 2.912 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001469103450 1064092126 /nfs/dbraw/zinc/09/21/26/1064092126.db2.gz HSBDZADDZGYLPT-FOIQADDNSA-N 1 2 369.513 2.912 20 10 FFCDLO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)n1 ZINC001474486849 1065532994 /nfs/dbraw/zinc/53/29/94/1065532994.db2.gz XOCYCFQQJWWGIT-UHFFFAOYSA-N 1 2 364.833 2.720 20 10 FFCDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001474731422 1065592929 /nfs/dbraw/zinc/59/29/29/1065592929.db2.gz IRYHDAYEXFJIRY-GOSISDBHSA-N 1 2 372.412 2.522 20 10 FFCDLO C[C@H]([NH2+]CCCn1cnc2ccccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589960891 1080904166 /nfs/dbraw/zinc/90/41/66/1080904166.db2.gz JWODTMGMGHQJKQ-ZDUSSCGKSA-N 1 2 363.425 2.663 20 10 FFCDLO C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1cccc(-c2nn[nH]n2)c1O ZINC001589970447 1080911863 /nfs/dbraw/zinc/91/18/63/1080911863.db2.gz RSHSCYSKABLBTI-LBPRGKRZSA-N 1 2 368.441 2.995 20 10 FFCDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000119252077 508757330 /nfs/dbraw/zinc/75/73/30/508757330.db2.gz MTGTWJUHABDDQK-UHFFFAOYSA-N 1 2 356.426 2.596 20 10 FFCDLO Cc1cc(CN2CC[NH+](Cc3cc(Br)ccc3O)CC2)no1 ZINC000120574989 509024740 /nfs/dbraw/zinc/02/47/40/509024740.db2.gz UUPRBILIFIFFQN-UHFFFAOYSA-N 1 2 366.259 2.769 20 10 FFCDLO COc1cccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1O ZINC000155701981 509055844 /nfs/dbraw/zinc/05/58/44/509055844.db2.gz BQEYQVBLVWCOOP-UHFFFAOYSA-N 1 2 371.462 2.907 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000161507454 509123435 /nfs/dbraw/zinc/12/34/35/509123435.db2.gz FZKQOEHZVVIFIK-GOSISDBHSA-N 1 2 352.482 2.998 20 10 FFCDLO CC[NH+](CC)Cc1nc(C2(NC(=O)Cc3ccc(N)cc3)CCCC2)no1 ZINC000236942426 509538165 /nfs/dbraw/zinc/53/81/65/509538165.db2.gz FPCSZTIZUFGNAR-UHFFFAOYSA-N 1 2 371.485 2.622 20 10 FFCDLO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC000180025792 509715468 /nfs/dbraw/zinc/71/54/68/509715468.db2.gz NHBYGUHIQWDWSB-UHFFFAOYSA-N 1 2 362.376 2.637 20 10 FFCDLO C[NH+](C)C1CCN(c2ccc(NCc3cc([N+](=O)[O-])ccc3O)nc2)CC1 ZINC000269141501 510255806 /nfs/dbraw/zinc/25/58/06/510255806.db2.gz MMMYJJCNXAKULR-UHFFFAOYSA-N 1 2 371.441 2.838 20 10 FFCDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000184831983 510536531 /nfs/dbraw/zinc/53/65/31/510536531.db2.gz GAQHNLRQZNOILG-SFHVURJKSA-N 1 2 359.470 2.502 20 10 FFCDLO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)CC2 ZINC000185317791 510802585 /nfs/dbraw/zinc/80/25/85/510802585.db2.gz CESANXCONMCAOL-GZMMTYOYSA-N 1 2 369.238 2.859 20 10 FFCDLO C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(F)c(F)c1 ZINC000276656406 510944594 /nfs/dbraw/zinc/94/45/94/510944594.db2.gz XKUDTZCSVNNRRF-XJKSGUPXSA-N 1 2 366.339 2.690 20 10 FFCDLO C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(F)c(F)c1 ZINC000276656406 510944598 /nfs/dbraw/zinc/94/45/98/510944598.db2.gz XKUDTZCSVNNRRF-XJKSGUPXSA-N 1 2 366.339 2.690 20 10 FFCDLO O=C(c1c(F)ccc(O)c1O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000276722807 510945870 /nfs/dbraw/zinc/94/58/70/510945870.db2.gz SGDKIZSJAOLJRK-UHFFFAOYSA-N 1 2 362.376 2.724 20 10 FFCDLO O=C(c1c(F)ccc(O)c1O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000276722807 510945874 /nfs/dbraw/zinc/94/58/74/510945874.db2.gz SGDKIZSJAOLJRK-UHFFFAOYSA-N 1 2 362.376 2.724 20 10 FFCDLO CCN(CC)c1ccc(C[NH2+]Cc2ncccc2S(C)(=O)=O)cc1F ZINC000278671691 511003425 /nfs/dbraw/zinc/00/34/25/511003425.db2.gz HJKGXTYXCXDKLM-UHFFFAOYSA-N 1 2 365.474 2.760 20 10 FFCDLO CC[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Cl)cc(Cl)c1O ZINC000287611817 511054026 /nfs/dbraw/zinc/05/40/26/511054026.db2.gz JGNQGLSCOMAOTA-CYBMUJFWSA-N 1 2 370.298 2.801 20 10 FFCDLO Cc1ccc(O)c(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)c1 ZINC000272271454 511486819 /nfs/dbraw/zinc/48/68/19/511486819.db2.gz RTZYPNLFZBNJIH-UHFFFAOYSA-N 1 2 366.465 2.766 20 10 FFCDLO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273415771 511524881 /nfs/dbraw/zinc/52/48/81/511524881.db2.gz QVDFJDUISHPWDE-GTNSWQLSSA-N 1 2 362.382 2.702 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273424152 511525080 /nfs/dbraw/zinc/52/50/80/511525080.db2.gz SXZBKHWMBMWMGI-BXUZGUMPSA-N 1 2 350.346 2.530 20 10 FFCDLO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc([N+](=O)[O-])ccc1O ZINC000273608697 511550747 /nfs/dbraw/zinc/55/07/47/511550747.db2.gz VBUGLCMXRKSQFG-LBPRGKRZSA-N 1 2 364.423 2.696 20 10 FFCDLO CS(=O)(=O)c1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)co1 ZINC000528420600 516424200 /nfs/dbraw/zinc/42/42/00/516424200.db2.gz WSFFMXGVUBBMOW-INIZCTEOSA-N 1 2 365.451 2.570 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC1COC1 ZINC000529675870 517277603 /nfs/dbraw/zinc/27/76/03/517277603.db2.gz QMMVTJGNBXIWAU-UHFFFAOYSA-N 1 2 351.038 2.653 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000819833562 606199260 /nfs/dbraw/zinc/19/92/60/606199260.db2.gz HDQBMONMXAJWAE-UHFFFAOYSA-N 1 2 355.373 2.546 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000819833562 606199262 /nfs/dbraw/zinc/19/92/62/606199262.db2.gz HDQBMONMXAJWAE-UHFFFAOYSA-N 1 2 355.373 2.546 20 10 FFCDLO Cc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000028964204 727888645 /nfs/dbraw/zinc/88/86/45/727888645.db2.gz DTMIUCDSYZUCRA-SSZFMOIBSA-N 1 2 362.520 2.919 20 10 FFCDLO C[C@H]1CN=C(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)S1 ZINC000093662813 728476722 /nfs/dbraw/zinc/47/67/22/728476722.db2.gz GGZIWTKISWLTHB-NSHDSACASA-N 1 2 370.316 2.764 20 10 FFCDLO OC[C@@H]1CCCCN1c1cc(NCCCSc2nccs2)[nH+]cn1 ZINC000192311956 729423598 /nfs/dbraw/zinc/42/35/98/729423598.db2.gz WPGQVDQNMSWVBA-ZDUSSCGKSA-N 1 2 365.528 2.879 20 10 FFCDLO OC[C@@H]1CCCCN1c1cc(NCCCSc2nccs2)nc[nH+]1 ZINC000192311956 729423599 /nfs/dbraw/zinc/42/35/99/729423599.db2.gz WPGQVDQNMSWVBA-ZDUSSCGKSA-N 1 2 365.528 2.879 20 10 FFCDLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000856594082 730346484 /nfs/dbraw/zinc/34/64/84/730346484.db2.gz DOXKYFFUUQJMCM-QGZVFWFLSA-N 1 2 369.824 2.700 20 10 FFCDLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000856594082 730346485 /nfs/dbraw/zinc/34/64/85/730346485.db2.gz DOXKYFFUUQJMCM-QGZVFWFLSA-N 1 2 369.824 2.700 20 10 FFCDLO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000857057810 730376548 /nfs/dbraw/zinc/37/65/48/730376548.db2.gz DZJLVVCVKRZKRE-HNNXBMFYSA-N 1 2 355.818 2.944 20 10 FFCDLO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000857063431 730377002 /nfs/dbraw/zinc/37/70/02/730377002.db2.gz SLUZLTVGXCFZLM-KRWDZBQOSA-N 1 2 353.825 2.864 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000781907065 738670529 /nfs/dbraw/zinc/67/05/29/738670529.db2.gz CUDYAWFRZJHRDZ-QWRGUYRKSA-N 1 2 364.305 2.717 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000781907065 738670532 /nfs/dbraw/zinc/67/05/32/738670532.db2.gz CUDYAWFRZJHRDZ-QWRGUYRKSA-N 1 2 364.305 2.717 20 10 FFCDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781913396 738672163 /nfs/dbraw/zinc/67/21/63/738672163.db2.gz TYDYQKINHZCVRT-LBPRGKRZSA-N 1 2 374.300 2.944 20 10 FFCDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781913396 738672170 /nfs/dbraw/zinc/67/21/70/738672170.db2.gz TYDYQKINHZCVRT-LBPRGKRZSA-N 1 2 374.300 2.944 20 10 FFCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(=O)NCc1ccco1 ZINC000882992754 733319029 /nfs/dbraw/zinc/31/90/29/733319029.db2.gz LTDYWRRNZLVQSR-SECBINFHSA-N 1 2 371.206 2.681 20 10 FFCDLO C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1cc(Br)cc(F)c1O ZINC000886669707 733814754 /nfs/dbraw/zinc/81/47/54/733814754.db2.gz CKLXNBMXFFQGSE-WCQGTBRESA-N 1 2 362.239 2.874 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cscc3C)CC2)cc1 ZINC000749366040 735717556 /nfs/dbraw/zinc/71/75/56/735717556.db2.gz UMGZIBMFRZNOEF-UHFFFAOYSA-N 1 2 359.495 2.617 20 10 FFCDLO C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cc(F)cc(F)c1O ZINC000756524413 736338585 /nfs/dbraw/zinc/33/85/85/736338585.db2.gz IRWFHJOHWANWBM-LLVKDONJSA-N 1 2 350.365 2.847 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)cc(F)c1O ZINC000756546869 736341113 /nfs/dbraw/zinc/34/11/13/736341113.db2.gz TWCCTPREZOHBJL-WDEREUQCSA-N 1 2 361.255 2.665 20 10 FFCDLO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)cc(F)c1O ZINC000756546868 736341173 /nfs/dbraw/zinc/34/11/73/736341173.db2.gz TWCCTPREZOHBJL-QWRGUYRKSA-N 1 2 361.255 2.665 20 10 FFCDLO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756654617 736349786 /nfs/dbraw/zinc/34/97/86/736349786.db2.gz LJZYLQHSYBRHFC-VHSXEESVSA-N 1 2 359.239 2.955 20 10 FFCDLO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756657639 736350256 /nfs/dbraw/zinc/35/02/56/736350256.db2.gz DYIMGHDHYSGUBH-BDAKNGLRSA-N 1 2 368.268 2.768 20 10 FFCDLO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)cc(Cl)c1O ZINC000795842529 740069932 /nfs/dbraw/zinc/06/99/32/740069932.db2.gz APENTOZHUDVLGI-LURJTMIESA-N 1 2 371.609 2.840 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000765654093 737141698 /nfs/dbraw/zinc/14/16/98/737141698.db2.gz FVHRELIMUHBWLV-UHFFFAOYSA-N 1 2 369.799 2.845 20 10 FFCDLO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000912110575 737266104 /nfs/dbraw/zinc/26/61/04/737266104.db2.gz PHZRGUJAOKGGTP-UHFFFAOYSA-N 1 2 354.376 2.999 20 10 FFCDLO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000912110575 737266107 /nfs/dbraw/zinc/26/61/07/737266107.db2.gz PHZRGUJAOKGGTP-UHFFFAOYSA-N 1 2 354.376 2.999 20 10 FFCDLO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2)n(C)n1 ZINC000775176065 738069722 /nfs/dbraw/zinc/06/97/22/738069722.db2.gz JJHZWYKWEKSEEC-AWEZNQCLSA-N 1 2 352.841 2.985 20 10 FFCDLO C[C@H]1C[N@H+](Cc2cccc(Br)c2O)CC2(CCOCC2)O1 ZINC000790929757 739515082 /nfs/dbraw/zinc/51/50/82/739515082.db2.gz BFILJJFVMUQXGX-LBPRGKRZSA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CC2(CCOCC2)O1 ZINC000790929757 739515085 /nfs/dbraw/zinc/51/50/85/739515085.db2.gz BFILJJFVMUQXGX-LBPRGKRZSA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)c(F)cc1O ZINC000797031337 740204866 /nfs/dbraw/zinc/20/48/66/740204866.db2.gz JSRWFZARQGWKIX-SNVBAGLBSA-N 1 2 362.239 2.876 20 10 FFCDLO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000798940387 740375360 /nfs/dbraw/zinc/37/53/60/740375360.db2.gz GNXBWILLTWVTFP-WPRPVWTQSA-N 1 2 352.656 2.856 20 10 FFCDLO OCC1([C@@H]([NH2+]Cc2cccc(Br)c2O)C2CC2)CCOCC1 ZINC000816657714 742051413 /nfs/dbraw/zinc/05/14/13/742051413.db2.gz YEAAORDKGBXZSF-INIZCTEOSA-N 1 2 370.287 2.812 20 10 FFCDLO OC/C=C\C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000826938027 743473945 /nfs/dbraw/zinc/47/39/45/743473945.db2.gz XLOSXMCLUJETGX-UPHRSURJSA-N 1 2 351.038 2.555 20 10 FFCDLO CC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(Cl)c1O ZINC000834891152 745920449 /nfs/dbraw/zinc/92/04/49/745920449.db2.gz QICWRNQPBCKICU-HNNXBMFYSA-N 1 2 361.891 2.680 20 10 FFCDLO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cc(F)cc(F)c1O ZINC000840799860 747186934 /nfs/dbraw/zinc/18/69/34/747186934.db2.gz XLUCCPNKLMDAAB-ABAIWWIYSA-N 1 2 357.397 2.737 20 10 FFCDLO CCC(CC)[C@H](C(=O)NCc1cc(Cl)ccc1O)[NH+]1CCOCC1 ZINC000846475774 748488172 /nfs/dbraw/zinc/48/81/72/748488172.db2.gz IZXQAJXOEAQQJC-QGZVFWFLSA-N 1 2 354.878 2.799 20 10 FFCDLO Oc1cccc(Br)c1C[NH+]1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001279219732 962510720 /nfs/dbraw/zinc/51/07/20/962510720.db2.gz ISFZFMXUPBCXCA-UHFFFAOYSA-N 1 2 362.271 2.801 20 10 FFCDLO Oc1cccc(Br)c1CN1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001279219732 962510734 /nfs/dbraw/zinc/51/07/34/962510734.db2.gz ISFZFMXUPBCXCA-UHFFFAOYSA-N 1 2 362.271 2.801 20 10 FFCDLO COC(=O)C[C@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000176134216 965307497 /nfs/dbraw/zinc/30/74/97/965307497.db2.gz LAXFSRIKXLOMTA-ZDUSSCGKSA-N 1 2 359.422 2.781 20 10 FFCDLO COC(=O)C[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000176134216 965307509 /nfs/dbraw/zinc/30/75/09/965307509.db2.gz LAXFSRIKXLOMTA-ZDUSSCGKSA-N 1 2 359.422 2.781 20 10 FFCDLO CCn1c[nH+]c2c1CCN(Cc1c3cc(F)ccc3n(C)c1C(=O)OC)C2 ZINC000897333776 974318478 /nfs/dbraw/zinc/31/84/78/974318478.db2.gz OJCUJIBKAVZRLQ-UHFFFAOYSA-N 1 2 370.428 2.879 20 10 FFCDLO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(O)[nH]c(=O)c3)[C@@H]2C1 ZINC001271796121 974341967 /nfs/dbraw/zinc/34/19/67/974341967.db2.gz DOMWCVJWEGSSDZ-HLLBOEOZSA-N 1 2 361.486 2.856 20 10 FFCDLO CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(O)[nH]c(=O)c3)[C@@H]2C1 ZINC001271796121 974341972 /nfs/dbraw/zinc/34/19/72/974341972.db2.gz DOMWCVJWEGSSDZ-HLLBOEOZSA-N 1 2 361.486 2.856 20 10 FFCDLO COc1ccc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)CCO2)cc1 ZINC000877757003 1014714593 /nfs/dbraw/zinc/71/45/93/1014714593.db2.gz FUVPIWSOLPZIPS-QGZVFWFLSA-N 1 2 374.393 2.891 20 10 FFCDLO COc1ccc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)CCO2)cc1 ZINC000877757003 1014714605 /nfs/dbraw/zinc/71/46/05/1014714605.db2.gz FUVPIWSOLPZIPS-QGZVFWFLSA-N 1 2 374.393 2.891 20 10 FFCDLO COC(=O)c1c(C[N@@H+]2CCCc3c(cnn3C)C2)c2cc(F)ccc2n1C ZINC000911596526 982287405 /nfs/dbraw/zinc/28/74/05/982287405.db2.gz VJUSTZSZAYAYLX-UHFFFAOYSA-N 1 2 370.428 2.786 20 10 FFCDLO COC(=O)c1c(C[N@H+]2CCCc3c(cnn3C)C2)c2cc(F)ccc2n1C ZINC000911596526 982287416 /nfs/dbraw/zinc/28/74/16/982287416.db2.gz VJUSTZSZAYAYLX-UHFFFAOYSA-N 1 2 370.428 2.786 20 10 FFCDLO CCc1oc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1C ZINC000760471992 982418931 /nfs/dbraw/zinc/41/89/31/982418931.db2.gz ZEYTXTUANYAALF-UHFFFAOYSA-N 1 2 371.481 2.711 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc4c(cc3OC)OCO4)CC2)cc1F ZINC000761203563 984899264 /nfs/dbraw/zinc/89/92/64/984899264.db2.gz LDBQDMQUUSAHFG-UHFFFAOYSA-N 1 2 374.412 2.894 20 10 FFCDLO CCC(CC)[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)[NH+]1CCOCC1 ZINC000173132230 985759865 /nfs/dbraw/zinc/75/98/65/985759865.db2.gz UIGXORUGDZYBGM-AUUYWEPGSA-N 1 2 364.486 2.715 20 10 FFCDLO O=C(NCCCNc1cccc[nH+]1)NCc1c(O)ccc2c1CCCC2 ZINC000173140734 985760734 /nfs/dbraw/zinc/76/07/34/985760734.db2.gz QTLDDMMIYJLAFZ-UHFFFAOYSA-N 1 2 354.454 2.967 20 10 FFCDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000844403572 997864233 /nfs/dbraw/zinc/86/42/33/997864233.db2.gz BHMCCQIFHFHKKX-RTBURBONSA-N 1 2 356.466 2.667 20 10 FFCDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000844403572 997864244 /nfs/dbraw/zinc/86/42/44/997864244.db2.gz BHMCCQIFHFHKKX-RTBURBONSA-N 1 2 356.466 2.667 20 10 FFCDLO O=C1CCCC2(CC[NH+](Cc3cc(Br)c(F)cc3O)CC2)N1 ZINC001144300803 998295285 /nfs/dbraw/zinc/29/52/85/998295285.db2.gz DZTVFCPTXFALGL-UHFFFAOYSA-N 1 2 371.250 2.929 20 10 FFCDLO CN(C)C(=O)NC1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144308426 998306862 /nfs/dbraw/zinc/30/68/62/998306862.db2.gz YNJPYXRQQXRIBC-UHFFFAOYSA-N 1 2 374.254 2.529 20 10 FFCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000768252465 1000200592 /nfs/dbraw/zinc/20/05/92/1000200592.db2.gz OOJKIPPJRULFKX-UHFFFAOYSA-N 1 2 358.413 2.806 20 10 FFCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(F)c(F)c3)C1)[C@H](O)CO2 ZINC000768448549 1000250746 /nfs/dbraw/zinc/25/07/46/1000250746.db2.gz CVLRBNAREVSWRX-IEBWSBKVSA-N 1 2 363.360 2.670 20 10 FFCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(F)c(F)c3)C1)[C@H](O)CO2 ZINC000768448549 1000250751 /nfs/dbraw/zinc/25/07/51/1000250751.db2.gz CVLRBNAREVSWRX-IEBWSBKVSA-N 1 2 363.360 2.670 20 10 FFCDLO CCn1c(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)nc2ccccc21 ZINC000775063328 1003479138 /nfs/dbraw/zinc/47/91/38/1003479138.db2.gz QYLGFWQZIBUURK-UHFFFAOYSA-N 1 2 356.382 2.968 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)[nH+]c(C)c3)C2)cc1 ZINC000852384879 1006001547 /nfs/dbraw/zinc/00/15/47/1006001547.db2.gz HUIUFGLGBQITQY-KRWDZBQOSA-N 1 2 354.454 2.785 20 10 FFCDLO COC(=O)Cc1cc[nH+]c(N2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000853215598 1006336384 /nfs/dbraw/zinc/33/63/84/1006336384.db2.gz VBJSUWGBCWJIIJ-UHFFFAOYSA-N 1 2 355.438 2.522 20 10 FFCDLO CCN(C)c1ccc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)cc1 ZINC000815113476 1006512330 /nfs/dbraw/zinc/51/23/30/1006512330.db2.gz CLTDUZFHUHLSNP-UHFFFAOYSA-N 1 2 373.522 2.609 20 10 FFCDLO CCN(C)c1ccc(C[N@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)cc1 ZINC000815113476 1006512340 /nfs/dbraw/zinc/51/23/40/1006512340.db2.gz CLTDUZFHUHLSNP-UHFFFAOYSA-N 1 2 373.522 2.609 20 10 FFCDLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775253927 1007092567 /nfs/dbraw/zinc/09/25/67/1007092567.db2.gz CMSNMFIJIKPCLM-GJZGRUSLSA-N 1 2 360.458 2.855 20 10 FFCDLO COc1ccc(O)c(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000114585569 1007968956 /nfs/dbraw/zinc/96/89/56/1007968956.db2.gz UZCYAIDMJHDJMK-UHFFFAOYSA-N 1 2 370.453 2.786 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875493 1008233546 /nfs/dbraw/zinc/23/35/46/1008233546.db2.gz QHLVJUPNRQAGGL-XIKOKIGWSA-N 1 2 354.406 2.543 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000858526572 1008375028 /nfs/dbraw/zinc/37/50/28/1008375028.db2.gz FIKJNDJKQIUFOX-YPMHNXCESA-N 1 2 372.412 2.957 20 10 FFCDLO COC1(CO)CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000773933746 1010189509 /nfs/dbraw/zinc/18/95/09/1010189509.db2.gz GBXIJAWELUTKSK-UHFFFAOYSA-N 1 2 356.466 2.750 20 10 FFCDLO CCCC[N@@H+]1C[C@]2(F)CN(Cc3ccc(N(C)C)cc3)C(=O)[C@]2(F)C1 ZINC001275106883 1011943503 /nfs/dbraw/zinc/94/35/03/1011943503.db2.gz YMIRMISIAWZDIL-RBUKOAKNSA-N 1 2 351.441 2.627 20 10 FFCDLO CCCC[N@H+]1C[C@]2(F)CN(Cc3ccc(N(C)C)cc3)C(=O)[C@]2(F)C1 ZINC001275106883 1011943519 /nfs/dbraw/zinc/94/35/19/1011943519.db2.gz YMIRMISIAWZDIL-RBUKOAKNSA-N 1 2 351.441 2.627 20 10 FFCDLO CC(C)=CCN1C[C@@]2(F)C[N@H+](Cc3ccc(C)cc3O)C[C@@]2(F)C1=O ZINC001275386315 1012405601 /nfs/dbraw/zinc/40/56/01/1012405601.db2.gz UEEXYPNTPMTWTF-RBUKOAKNSA-N 1 2 350.409 2.741 20 10 FFCDLO CC(C)=CCN1C[C@@]2(F)C[N@@H+](Cc3ccc(C)cc3O)C[C@@]2(F)C1=O ZINC001275386315 1012405614 /nfs/dbraw/zinc/40/56/14/1012405614.db2.gz UEEXYPNTPMTWTF-RBUKOAKNSA-N 1 2 350.409 2.741 20 10 FFCDLO CC[N@H+](CCOCCO)CC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000800427862 1020307769 /nfs/dbraw/zinc/30/77/69/1020307769.db2.gz GOICQVLLYAHRKI-UHFFFAOYSA-N 1 2 358.482 2.916 20 10 FFCDLO CC[N@@H+](CCOCCO)CC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000800427862 1020307784 /nfs/dbraw/zinc/30/77/84/1020307784.db2.gz GOICQVLLYAHRKI-UHFFFAOYSA-N 1 2 358.482 2.916 20 10 FFCDLO CCC[C@]1(C2CC2)NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000802724512 1020350018 /nfs/dbraw/zinc/35/00/18/1020350018.db2.gz SBLSZNPVNXTJQU-HXUWFJFHSA-N 1 2 358.486 2.643 20 10 FFCDLO CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000802724512 1020350026 /nfs/dbraw/zinc/35/00/26/1020350026.db2.gz SBLSZNPVNXTJQU-HXUWFJFHSA-N 1 2 358.486 2.643 20 10 FFCDLO C[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000726844519 1020537903 /nfs/dbraw/zinc/53/79/03/1020537903.db2.gz REASRBIFLNUGCJ-UHFFFAOYSA-N 1 2 363.465 2.736 20 10 FFCDLO C[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000726844519 1020537912 /nfs/dbraw/zinc/53/79/12/1020537912.db2.gz REASRBIFLNUGCJ-UHFFFAOYSA-N 1 2 363.465 2.736 20 10 FFCDLO Oc1ccc(O)c(C[N@@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001141160109 1025541965 /nfs/dbraw/zinc/54/19/65/1025541965.db2.gz QDDBENDSVYHZNU-APWZRJJASA-N 1 2 358.413 2.574 20 10 FFCDLO Oc1ccc(O)c(C[N@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001141160109 1025541976 /nfs/dbraw/zinc/54/19/76/1025541976.db2.gz QDDBENDSVYHZNU-APWZRJJASA-N 1 2 358.413 2.574 20 10 FFCDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000782523896 1029732046 /nfs/dbraw/zinc/73/20/46/1029732046.db2.gz HGQYTDWXPBMSHH-KRWDZBQOSA-N 1 2 367.493 2.994 20 10 FFCDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000782523896 1029732056 /nfs/dbraw/zinc/73/20/56/1029732056.db2.gz HGQYTDWXPBMSHH-KRWDZBQOSA-N 1 2 367.493 2.994 20 10 FFCDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841302139 1030172439 /nfs/dbraw/zinc/17/24/39/1030172439.db2.gz MWTLTOYHUXQZGY-UHFFFAOYSA-N 1 2 354.454 2.936 20 10 FFCDLO Oc1cc(F)c(F)cc1CN1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001142517470 1030566610 /nfs/dbraw/zinc/56/66/10/1030566610.db2.gz OPBZMGMXXMTFAV-IFXJQAMLSA-N 1 2 364.392 2.596 20 10 FFCDLO COc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c1O ZINC001203590024 1030771829 /nfs/dbraw/zinc/77/18/29/1030771829.db2.gz RATRHLUTORDDRA-CQSZACIVSA-N 1 2 354.422 2.792 20 10 FFCDLO COc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c1O ZINC001203590024 1030771843 /nfs/dbraw/zinc/77/18/43/1030771843.db2.gz RATRHLUTORDDRA-CQSZACIVSA-N 1 2 354.422 2.792 20 10 FFCDLO COC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)Cc2cn(C)nc21 ZINC001203639882 1030802437 /nfs/dbraw/zinc/80/24/37/1030802437.db2.gz LMHURKICSQXNPJ-CYBMUJFWSA-N 1 2 366.259 2.634 20 10 FFCDLO COC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)Cc2cn(C)nc21 ZINC001203639882 1030802453 /nfs/dbraw/zinc/80/24/53/1030802453.db2.gz LMHURKICSQXNPJ-CYBMUJFWSA-N 1 2 366.259 2.634 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3cc(O)c(O)c(OC)c3)CC2)cc1 ZINC001204351425 1031248451 /nfs/dbraw/zinc/24/84/51/1031248451.db2.gz QZROCFCPZPIJEL-UHFFFAOYSA-N 1 2 358.438 2.827 20 10 FFCDLO [NH3+][C@@H](CC1CCC1)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218920668 1033409353 /nfs/dbraw/zinc/40/93/53/1033409353.db2.gz YXGZEFKYJYWYAU-INIZCTEOSA-N 1 2 364.401 2.624 20 10 FFCDLO Cc1c(C[N@H+]2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)c2ccccc2n1C ZINC001138257183 1034026124 /nfs/dbraw/zinc/02/61/24/1034026124.db2.gz ZPFCFASQZAMKHK-ZLGUVYLKSA-N 1 2 369.509 2.991 20 10 FFCDLO Cc1c(C[N@@H+]2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)c2ccccc2n1C ZINC001138257183 1034026137 /nfs/dbraw/zinc/02/61/37/1034026137.db2.gz ZPFCFASQZAMKHK-ZLGUVYLKSA-N 1 2 369.509 2.991 20 10 FFCDLO CC(C)(C)OC(=O)NC1(C)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138498904 1034338679 /nfs/dbraw/zinc/33/86/79/1034338679.db2.gz LUTWZFXTOBKHJJ-UHFFFAOYSA-N 1 2 361.486 2.622 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001139126257 1034956707 /nfs/dbraw/zinc/95/67/07/1034956707.db2.gz CTVGLVSDGMKULL-DIFFPNOSSA-N 1 2 371.355 2.942 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001139126257 1034956715 /nfs/dbraw/zinc/95/67/15/1034956715.db2.gz CTVGLVSDGMKULL-DIFFPNOSSA-N 1 2 371.355 2.942 20 10 FFCDLO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132280 1034960649 /nfs/dbraw/zinc/96/06/49/1034960649.db2.gz VEHMHHVFAMWZTJ-CQSZACIVSA-N 1 2 359.422 2.972 20 10 FFCDLO CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132280 1034960659 /nfs/dbraw/zinc/96/06/59/1034960659.db2.gz VEHMHHVFAMWZTJ-CQSZACIVSA-N 1 2 359.422 2.972 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(O)ccc3F)CC2)cc1 ZINC001140052041 1035322745 /nfs/dbraw/zinc/32/27/45/1035322745.db2.gz CPLDUSQTFOHVOE-UHFFFAOYSA-N 1 2 360.429 2.879 20 10 FFCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)cc2)CC1 ZINC001140478772 1035488648 /nfs/dbraw/zinc/48/86/48/1035488648.db2.gz BBFDMTLOQBQOJH-RBUKOAKNSA-N 1 2 373.497 2.717 20 10 FFCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]43)cc2)CC1 ZINC001140478772 1035488651 /nfs/dbraw/zinc/48/86/51/1035488651.db2.gz BBFDMTLOQBQOJH-RBUKOAKNSA-N 1 2 373.497 2.717 20 10 FFCDLO CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263357 1035535835 /nfs/dbraw/zinc/53/58/35/1035535835.db2.gz NROKNVSBSFGLOT-LBPRGKRZSA-N 1 2 370.833 2.767 20 10 FFCDLO CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263357 1035535844 /nfs/dbraw/zinc/53/58/44/1035535844.db2.gz NROKNVSBSFGLOT-LBPRGKRZSA-N 1 2 370.833 2.767 20 10 FFCDLO COc1cc(O)c(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1Cl ZINC001232267888 1035538844 /nfs/dbraw/zinc/53/88/44/1035538844.db2.gz KSNYIAGQVUWUMV-UHFFFAOYSA-N 1 2 374.828 2.845 20 10 FFCDLO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cc(F)cc2F)N1Cc1cccnc1 ZINC001140580760 1035662371 /nfs/dbraw/zinc/66/23/71/1035662371.db2.gz KABOCOXHAIMZJY-QZTJIDSGSA-N 1 2 373.403 2.831 20 10 FFCDLO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)cc(F)cc2F)N1Cc1cccnc1 ZINC001140580760 1035662379 /nfs/dbraw/zinc/66/23/79/1035662379.db2.gz KABOCOXHAIMZJY-QZTJIDSGSA-N 1 2 373.403 2.831 20 10 FFCDLO COCCCN1CC[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232460 1035680041 /nfs/dbraw/zinc/68/00/41/1035680041.db2.gz QVMZZQJBZKBZOD-GOSISDBHSA-N 1 2 352.862 2.507 20 10 FFCDLO COCCCN1CC[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232460 1035680042 /nfs/dbraw/zinc/68/00/42/1035680042.db2.gz QVMZZQJBZKBZOD-GOSISDBHSA-N 1 2 352.862 2.507 20 10 FFCDLO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001233016227 1036253373 /nfs/dbraw/zinc/25/33/73/1036253373.db2.gz PLHHLOPKOVAKLF-YPMHNXCESA-N 1 2 352.431 2.539 20 10 FFCDLO C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001233016227 1036253384 /nfs/dbraw/zinc/25/33/84/1036253384.db2.gz PLHHLOPKOVAKLF-YPMHNXCESA-N 1 2 352.431 2.539 20 10 FFCDLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC001140949541 1036543336 /nfs/dbraw/zinc/54/33/36/1036543336.db2.gz DAUSCFIKLCKETA-UHFFFAOYSA-N 1 2 360.479 2.516 20 10 FFCDLO C[N@@H+]1CCC[C@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234746716 1037163606 /nfs/dbraw/zinc/16/36/06/1037163606.db2.gz CYAYNKXIGFBGBA-NSHDSACASA-N 1 2 357.362 2.536 20 10 FFCDLO C[N@H+]1CCC[C@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234746716 1037163618 /nfs/dbraw/zinc/16/36/18/1037163618.db2.gz CYAYNKXIGFBGBA-NSHDSACASA-N 1 2 357.362 2.536 20 10 FFCDLO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)c(F)cc1O)CC2 ZINC001276517865 1037285593 /nfs/dbraw/zinc/28/55/93/1037285593.db2.gz JQRMNEZVPSOJQR-NSHDSACASA-N 1 2 371.250 2.642 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001235305958 1037463957 /nfs/dbraw/zinc/46/39/57/1037463957.db2.gz BEFQMDYKYQOYHD-LBPRGKRZSA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001235305958 1037463969 /nfs/dbraw/zinc/46/39/69/1037463969.db2.gz BEFQMDYKYQOYHD-LBPRGKRZSA-N 1 2 368.206 2.737 20 10 FFCDLO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C1 ZINC001231254361 1037514208 /nfs/dbraw/zinc/51/42/08/1037514208.db2.gz VGJKRLKWQAZNJW-LBPRGKRZSA-N 1 2 366.373 2.843 20 10 FFCDLO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C1 ZINC001231254361 1037514217 /nfs/dbraw/zinc/51/42/17/1037514217.db2.gz VGJKRLKWQAZNJW-LBPRGKRZSA-N 1 2 366.373 2.843 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277507553 1037539095 /nfs/dbraw/zinc/53/90/95/1037539095.db2.gz QMMBOBZKMAQRHZ-KPZWWZAWSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277507553 1037539104 /nfs/dbraw/zinc/53/91/04/1037539104.db2.gz QMMBOBZKMAQRHZ-KPZWWZAWSA-N 1 2 370.852 2.787 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507863 1037540711 /nfs/dbraw/zinc/54/07/11/1037540711.db2.gz RVMRKIRDDFHMON-VOJFVSQTSA-N 1 2 368.836 2.587 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507863 1037540715 /nfs/dbraw/zinc/54/07/15/1037540715.db2.gz RVMRKIRDDFHMON-VOJFVSQTSA-N 1 2 368.836 2.587 20 10 FFCDLO O=C1C[C@]2(CN1C1COC1)CCCC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277510648 1037553179 /nfs/dbraw/zinc/55/31/79/1037553179.db2.gz PUAWZCGYTGDVSM-SFHVURJKSA-N 1 2 368.836 2.541 20 10 FFCDLO O=C1C[C@]2(CN1C1COC1)CCCC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277510648 1037553193 /nfs/dbraw/zinc/55/31/93/1037553193.db2.gz PUAWZCGYTGDVSM-SFHVURJKSA-N 1 2 368.836 2.541 20 10 FFCDLO COc1cc(N(C)C)ccc1CN1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001231851879 1037949100 /nfs/dbraw/zinc/94/91/00/1037949100.db2.gz NZPSUVMQMFKPAE-UHFFFAOYSA-N 1 2 367.453 2.552 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001231854040 1037951003 /nfs/dbraw/zinc/95/10/03/1037951003.db2.gz WUMLPKQIULQPOW-LJQANCHMSA-N 1 2 374.506 2.809 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001231854040 1037951018 /nfs/dbraw/zinc/95/10/18/1037951018.db2.gz WUMLPKQIULQPOW-LJQANCHMSA-N 1 2 374.506 2.809 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3cnc(F)c(C)c3)CC2)cc1 ZINC001231926049 1038019761 /nfs/dbraw/zinc/01/97/61/1038019761.db2.gz GYRIAXIXMKUJNC-UHFFFAOYSA-N 1 2 359.445 2.877 20 10 FFCDLO Oc1cc(C[NH+]2CCN(c3ccccn3)CC2)c(O)cc1Br ZINC001236772999 1038256024 /nfs/dbraw/zinc/25/60/24/1038256024.db2.gz MJJAHORBAAFVKW-UHFFFAOYSA-N 1 2 364.243 2.578 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236925677 1038358397 /nfs/dbraw/zinc/35/83/97/1038358397.db2.gz GPDHGNOFDQXUFX-RPVQJOFSSA-N 1 2 364.873 2.703 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236925677 1038358404 /nfs/dbraw/zinc/35/84/04/1038358404.db2.gz GPDHGNOFDQXUFX-RPVQJOFSSA-N 1 2 364.873 2.703 20 10 FFCDLO CCS(=O)(=O)N1CC[NH+](Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209520183 1038948056 /nfs/dbraw/zinc/94/80/56/1038948056.db2.gz QAFNDJWCSAAMDL-UHFFFAOYSA-N 1 2 361.511 2.561 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@@H](O)COc2ccccc2)C1 ZINC001251189476 1038998422 /nfs/dbraw/zinc/99/84/22/1038998422.db2.gz MJIZMUCYAYDAIC-MRXNPFEDSA-N 1 2 366.461 2.985 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC001251189476 1038998439 /nfs/dbraw/zinc/99/84/39/1038998439.db2.gz MJIZMUCYAYDAIC-MRXNPFEDSA-N 1 2 366.461 2.985 20 10 FFCDLO c1cncc(COc2ccc(N3CC[NH+](Cc4cnccn4)CC3)cc2)c1 ZINC001209787568 1039224773 /nfs/dbraw/zinc/22/47/73/1039224773.db2.gz RKRAVVXUTNIIHG-UHFFFAOYSA-N 1 2 361.449 2.773 20 10 FFCDLO Cc1cccc(C[N@@H+]2C[C@]3(F)CN(C4CCCC4)C(=O)[C@]3(F)C2)c1O ZINC001276683259 1039516231 /nfs/dbraw/zinc/51/62/31/1039516231.db2.gz IPIVUTNAAIZAHD-RBUKOAKNSA-N 1 2 350.409 2.718 20 10 FFCDLO Cc1cccc(C[N@H+]2C[C@]3(F)CN(C4CCCC4)C(=O)[C@]3(F)C2)c1O ZINC001276683259 1039516242 /nfs/dbraw/zinc/51/62/42/1039516242.db2.gz IPIVUTNAAIZAHD-RBUKOAKNSA-N 1 2 350.409 2.718 20 10 FFCDLO CCOc1cc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)ccn1 ZINC001250014558 1041099382 /nfs/dbraw/zinc/09/93/82/1041099382.db2.gz WYDHVRPNHIQKLB-UHFFFAOYSA-N 1 2 357.454 2.820 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1CCC12C[NH+](Cc1ccc(Cl)cc1O)C2 ZINC001278554399 1041131568 /nfs/dbraw/zinc/13/15/68/1041131568.db2.gz TWSCNZZTVITVOQ-UHFFFAOYSA-N 1 2 359.857 2.793 20 10 FFCDLO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccc(Cl)c2O)[nH]1 ZINC001279443121 1043119136 /nfs/dbraw/zinc/11/91/36/1043119136.db2.gz XTZQWPWKFSLSFI-IRXDYDNUSA-N 1 2 359.857 2.995 20 10 FFCDLO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(Cl)c2O)[nH]1 ZINC001279443121 1043119142 /nfs/dbraw/zinc/11/91/42/1043119142.db2.gz XTZQWPWKFSLSFI-IRXDYDNUSA-N 1 2 359.857 2.995 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)C1CCOCC1 ZINC001237621236 1043276460 /nfs/dbraw/zinc/27/64/60/1043276460.db2.gz YAMJJZUYORHJJV-UHFFFAOYSA-N 1 2 370.852 2.692 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)c1cccnc1 ZINC001237623270 1043279206 /nfs/dbraw/zinc/27/92/06/1043279206.db2.gz KSFQXFOPEDJCFE-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO COc1cc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c(O)c(OC)c1 ZINC001237679070 1043307637 /nfs/dbraw/zinc/30/76/37/1043307637.db2.gz TUHXPVFTTHTOGS-SFHVURJKSA-N 1 2 359.422 2.689 20 10 FFCDLO COc1cc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c(O)c(OC)c1 ZINC001237679070 1043307648 /nfs/dbraw/zinc/30/76/48/1043307648.db2.gz TUHXPVFTTHTOGS-SFHVURJKSA-N 1 2 359.422 2.689 20 10 FFCDLO O=C(C1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1)N1CCC(=O)CC1 ZINC001237798523 1043366123 /nfs/dbraw/zinc/36/61/23/1043366123.db2.gz HUPFTHASUUNMEY-UHFFFAOYSA-N 1 2 368.836 2.588 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1)c1ccccn1 ZINC001237939263 1043446017 /nfs/dbraw/zinc/44/60/17/1043446017.db2.gz AHQOGIZHGIXMIC-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1)N1CCCC1 ZINC001237940531 1043446527 /nfs/dbraw/zinc/44/65/27/1043446527.db2.gz MBPITPVWHKZREC-UHFFFAOYSA-N 1 2 355.841 2.955 20 10 FFCDLO COc1cc(C)nc(N2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)n1 ZINC001237940458 1043446744 /nfs/dbraw/zinc/44/67/44/1043446744.db2.gz LLINORYBUNOHRJ-UHFFFAOYSA-N 1 2 366.824 2.614 20 10 FFCDLO COc1cc(C[N@@H+]2CCCC3(CN(C)C3)C2)c(O)cc1Br ZINC001279676567 1043449253 /nfs/dbraw/zinc/44/92/53/1043449253.db2.gz ZOSVNPFYPGDTSD-UHFFFAOYSA-N 1 2 355.276 2.691 20 10 FFCDLO COc1cc(C[N@H+]2CCCC3(CN(C)C3)C2)c(O)cc1Br ZINC001279676567 1043449257 /nfs/dbraw/zinc/44/92/57/1043449257.db2.gz ZOSVNPFYPGDTSD-UHFFFAOYSA-N 1 2 355.276 2.691 20 10 FFCDLO Cc1ccc(C[N@@H+]2Cc3ccnn3CC[C@H]2C(=O)NC(C)(C)C)c(O)c1 ZINC001280046015 1044133112 /nfs/dbraw/zinc/13/31/12/1044133112.db2.gz FODGNZWARGBNGL-KRWDZBQOSA-N 1 2 356.470 2.586 20 10 FFCDLO Cc1ccc(C[N@H+]2Cc3ccnn3CC[C@H]2C(=O)NC(C)(C)C)c(O)c1 ZINC001280046015 1044133118 /nfs/dbraw/zinc/13/31/18/1044133118.db2.gz FODGNZWARGBNGL-KRWDZBQOSA-N 1 2 356.470 2.586 20 10 FFCDLO Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](C(=O)N2CCCC24CC4)O3)c(O)c1 ZINC001280047129 1044134560 /nfs/dbraw/zinc/13/45/60/1044134560.db2.gz YUVOREXBSQMHFR-SFHVURJKSA-N 1 2 356.466 2.589 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC001331589013 1048025318 /nfs/dbraw/zinc/02/53/18/1048025318.db2.gz MWRKCOLMGMBOEH-UHFFFAOYSA-N 1 2 362.433 2.688 20 10 FFCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)C[C@@H]2C1 ZINC001308728696 1052492049 /nfs/dbraw/zinc/49/20/49/1052492049.db2.gz SGBOAWJDRYHICQ-BETUJISGSA-N 1 2 354.397 2.969 20 10 FFCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)C[C@@H]2C1 ZINC001308728696 1052492052 /nfs/dbraw/zinc/49/20/52/1052492052.db2.gz SGBOAWJDRYHICQ-BETUJISGSA-N 1 2 354.397 2.969 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+]Cc1ncc[nH]1 ZINC001308889180 1052513528 /nfs/dbraw/zinc/51/35/28/1052513528.db2.gz FOGVUEUWTURCFJ-UHFFFAOYSA-N 1 2 361.037 2.930 20 10 FFCDLO COCCn1cc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)cn1 ZINC001338187632 1055304026 /nfs/dbraw/zinc/30/40/26/1055304026.db2.gz MNDSIDILZVXTBB-UHFFFAOYSA-N 1 2 374.666 2.941 20 10 FFCDLO Cc1c[nH+]c2cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccn12 ZINC000847363336 1055603270 /nfs/dbraw/zinc/60/32/70/1055603270.db2.gz XWVJFABVEHKTQP-UHFFFAOYSA-N 1 2 368.412 2.548 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3sc(C)cc3C)CC2)cc1 ZINC001544314440 1071626341 /nfs/dbraw/zinc/62/63/41/1071626341.db2.gz ABGGZHOLDMVCTD-UHFFFAOYSA-N 1 2 373.522 2.926 20 10 FFCDLO COc1c(N)[nH+]cnc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000848669608 1060426277 /nfs/dbraw/zinc/42/62/77/1060426277.db2.gz GSJQXYBOZVEUEC-NSHDSACASA-N 1 2 365.384 2.750 20 10 FFCDLO COc1c(N)nc[nH+]c1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000848669608 1060426283 /nfs/dbraw/zinc/42/62/83/1060426283.db2.gz GSJQXYBOZVEUEC-NSHDSACASA-N 1 2 365.384 2.750 20 10 FFCDLO CN1CCN(c2ccc(C[NH2+]Cc3cn4ccccc4n3)cc2F)CC1 ZINC001461004140 1061184363 /nfs/dbraw/zinc/18/43/63/1061184363.db2.gz HKIAEDINLGMEBP-UHFFFAOYSA-N 1 2 353.445 2.515 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC001473986795 1065434037 /nfs/dbraw/zinc/43/40/37/1065434037.db2.gz PVGCHGUMIXHRNE-NSHDSACASA-N 1 2 361.747 2.992 20 10 FFCDLO Cc1ccn2cc(C[NH2+]Cc3ccc(N4CCN(C)CC4)c(F)c3)nc2c1 ZINC001473987692 1065434805 /nfs/dbraw/zinc/43/48/05/1065434805.db2.gz JJROJOMWCZKBEH-UHFFFAOYSA-N 1 2 367.472 2.823 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH2+]C2(Cc3c[nH]nn3)CCC2)c1 ZINC001577252587 1078324024 /nfs/dbraw/zinc/32/40/24/1078324024.db2.gz VHHIMAGMOICATD-UHFFFAOYSA-N 1 2 351.248 2.836 20 10 FFCDLO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC001560727617 1076294429 /nfs/dbraw/zinc/29/44/29/1076294429.db2.gz OIZUIJXUTGYKJP-UHFFFAOYSA-N 1 2 362.405 2.997 20 10 FFCDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001560849739 1076304275 /nfs/dbraw/zinc/30/42/75/1076304275.db2.gz WPSRMELXJBQISZ-HGMXIMQMSA-N 1 2 364.398 2.615 20 10 FFCDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001560849739 1076304276 /nfs/dbraw/zinc/30/42/76/1076304276.db2.gz WPSRMELXJBQISZ-HGMXIMQMSA-N 1 2 364.398 2.615 20 10 FFCDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC001587447716 1079794040 /nfs/dbraw/zinc/79/40/40/1079794040.db2.gz ZEHOEXRNLYQEGI-HZPDHXFCSA-N 1 2 371.456 2.919 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589958463 1080903404 /nfs/dbraw/zinc/90/34/04/1080903404.db2.gz YTVCBVQILMKTKL-TZMCWYRMSA-N 1 2 368.416 2.641 20 10 FFCDLO C[C@@H]([NH2+]CCCn1cnc2ccccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589960890 1080904503 /nfs/dbraw/zinc/90/45/03/1080904503.db2.gz JWODTMGMGHQJKQ-CYBMUJFWSA-N 1 2 363.425 2.663 20 10 FFCDLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c(C)n1-c1ccccn1 ZINC000033044745 506328131 /nfs/dbraw/zinc/32/81/31/506328131.db2.gz FXSPZMAZLKTQGG-UHFFFAOYSA-N 1 2 372.432 3.000 20 10 FFCDLO CN(C)c1ccc(CNC(=O)NCc2ccc3c(c2)CCCN3C)c[nH+]1 ZINC000058558984 507436566 /nfs/dbraw/zinc/43/65/66/507436566.db2.gz KDHZNTPSWSDAJC-UHFFFAOYSA-N 1 2 353.470 2.529 20 10 FFCDLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203120 508147064 /nfs/dbraw/zinc/14/70/64/508147064.db2.gz IAYFMAZYUFAZBN-CQSZACIVSA-N 1 2 364.396 2.660 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000093809678 508155840 /nfs/dbraw/zinc/15/58/40/508155840.db2.gz KRKUVGITYYJJQS-LBPRGKRZSA-N 1 2 367.247 2.629 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000093809678 508155844 /nfs/dbraw/zinc/15/58/44/508155844.db2.gz KRKUVGITYYJJQS-LBPRGKRZSA-N 1 2 367.247 2.629 20 10 FFCDLO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)C(=O)N1CCOCC1 ZINC000185665548 509295214 /nfs/dbraw/zinc/29/52/14/509295214.db2.gz CIOQUONJXVQKET-GWCFXTLKSA-N 1 2 361.269 2.987 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265952643 510321318 /nfs/dbraw/zinc/32/13/18/510321318.db2.gz NVQKEQIZKDFYFR-UHFFFAOYSA-N 1 2 351.454 2.875 20 10 FFCDLO C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(F)c(F)c1O ZINC000187689186 510388873 /nfs/dbraw/zinc/38/88/73/510388873.db2.gz QIDRHKLYEAQLOO-LLVKDONJSA-N 1 2 350.365 2.847 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3cnn(C(C)C)c3)CC2)cc(OC)c1OC ZINC000184753364 510499833 /nfs/dbraw/zinc/49/98/33/510499833.db2.gz XDYSLMMVFJPDMN-UHFFFAOYSA-N 1 2 374.485 2.812 20 10 FFCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)c1O ZINC000175637071 510705031 /nfs/dbraw/zinc/70/50/31/510705031.db2.gz RYURDTPKIYIBFI-UHFFFAOYSA-N 1 2 361.417 2.657 20 10 FFCDLO COc1c(O)c(C[NH2+]Cc2csc([C@H](C)OC)n2)ccc1[N+](=O)[O-] ZINC000278295104 510988009 /nfs/dbraw/zinc/98/80/09/510988009.db2.gz CACFDPXINCTUHK-VIFPVBQESA-N 1 2 353.400 2.763 20 10 FFCDLO Cc1cc(C(=O)NCc2cccnc2-n2cc[nH+]c2)c(C)n1-c1ccccn1 ZINC000361682170 511078126 /nfs/dbraw/zinc/07/81/26/511078126.db2.gz SHSIRJLNTKMNJG-UHFFFAOYSA-N 1 2 372.432 3.000 20 10 FFCDLO COc1cc(O)c(C[NH2+][C@H](C)c2noc(COC(C)C)n2)cc1OC ZINC000290808190 511151507 /nfs/dbraw/zinc/15/15/07/511151507.db2.gz FWDRRKUKPVRJPF-LLVKDONJSA-N 1 2 351.403 2.568 20 10 FFCDLO C[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000271848173 511345696 /nfs/dbraw/zinc/34/56/96/511345696.db2.gz VZKRWLMJZPRCBX-KRWDZBQOSA-N 1 2 363.465 2.955 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000272352332 511491820 /nfs/dbraw/zinc/49/18/20/511491820.db2.gz BDCOWOVKPVUXKQ-RMKNXTFCSA-N 1 2 353.422 2.813 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000365829172 511672728 /nfs/dbraw/zinc/67/27/28/511672728.db2.gz WQXFNCWBEGDWPM-UHFFFAOYSA-N 1 2 371.393 2.826 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000365829172 511672736 /nfs/dbraw/zinc/67/27/36/511672736.db2.gz WQXFNCWBEGDWPM-UHFFFAOYSA-N 1 2 371.393 2.826 20 10 FFCDLO COc1ccc(N2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)cc1F ZINC000301916005 511702776 /nfs/dbraw/zinc/70/27/76/511702776.db2.gz VQKMLCVYNOCIQE-UHFFFAOYSA-N 1 2 353.401 2.686 20 10 FFCDLO CC(C)c1nc(N(C)C)nc(NCc2ccc(N3CCOCC3)c(F)c2)[nH+]1 ZINC000301951082 511703706 /nfs/dbraw/zinc/70/37/06/511703706.db2.gz ZWYQJLVPWVATQA-UHFFFAOYSA-N 1 2 374.464 2.649 20 10 FFCDLO CC(C)c1nc(NCc2ccc(N3CCOCC3)c(F)c2)nc(N(C)C)[nH+]1 ZINC000301951082 511703707 /nfs/dbraw/zinc/70/37/07/511703707.db2.gz ZWYQJLVPWVATQA-UHFFFAOYSA-N 1 2 374.464 2.649 20 10 FFCDLO COc1cc[nH+]cc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000297170676 512046375 /nfs/dbraw/zinc/04/63/75/512046375.db2.gz BBCMIQBCTZGGNR-KRWDZBQOSA-N 1 2 371.437 2.687 20 10 FFCDLO CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1O ZINC000376883859 513031978 /nfs/dbraw/zinc/03/19/78/513031978.db2.gz DLRRXQFJVRKTFW-JKSUJKDBSA-N 1 2 352.862 2.866 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418100811 513372247 /nfs/dbraw/zinc/37/22/47/513372247.db2.gz QJULKMHPZCIQSS-CYBMUJFWSA-N 1 2 350.413 2.531 20 10 FFCDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(O)c(O)c3)cn2c1 ZINC000159121008 728901343 /nfs/dbraw/zinc/90/13/43/728901343.db2.gz NIYWTHUGNSZHRA-UHFFFAOYSA-N 1 2 357.435 2.604 20 10 FFCDLO COc1ccc(N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)cc1F ZINC000084866923 728426839 /nfs/dbraw/zinc/42/68/39/728426839.db2.gz OFWNSTLCPYPHPS-RUZDIDTESA-N 1 2 362.470 2.764 20 10 FFCDLO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179552563 729188795 /nfs/dbraw/zinc/18/87/95/729188795.db2.gz XNDNOFGWVHGUCZ-UHFFFAOYSA-N 1 2 366.870 2.552 20 10 FFCDLO Cc1cc(CN2CC[NH+](Cc3c(O)cccc3Br)CC2)on1 ZINC000862217039 730676984 /nfs/dbraw/zinc/67/69/84/730676984.db2.gz SUVLJLRSOYSJFH-UHFFFAOYSA-N 1 2 366.259 2.769 20 10 FFCDLO CS(=O)(=O)N1CC[N@H+](Cc2cc(Cl)ccc2O)Cc2ccccc21 ZINC000770378346 737620289 /nfs/dbraw/zinc/62/02/89/737620289.db2.gz DKOWRQANDLUJKN-UHFFFAOYSA-N 1 2 366.870 2.827 20 10 FFCDLO CS(=O)(=O)N1CC[N@@H+](Cc2cc(Cl)ccc2O)Cc2ccccc21 ZINC000770378346 737620293 /nfs/dbraw/zinc/62/02/93/737620293.db2.gz DKOWRQANDLUJKN-UHFFFAOYSA-N 1 2 366.870 2.827 20 10 FFCDLO C[N@H+](Cc1nccn1C(F)F)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876585003 732259294 /nfs/dbraw/zinc/25/92/94/732259294.db2.gz VUKDKZFNFRHAAR-UHFFFAOYSA-N 1 2 350.413 2.871 20 10 FFCDLO C[N@@H+](Cc1nccn1C(F)F)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876585003 732259295 /nfs/dbraw/zinc/25/92/95/732259295.db2.gz VUKDKZFNFRHAAR-UHFFFAOYSA-N 1 2 350.413 2.871 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000781907900 738670872 /nfs/dbraw/zinc/67/08/72/738670872.db2.gz HFWSMUBGSVIIKZ-LBPRGKRZSA-N 1 2 354.166 2.962 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000781907900 738670874 /nfs/dbraw/zinc/67/08/74/738670874.db2.gz HFWSMUBGSVIIKZ-LBPRGKRZSA-N 1 2 354.166 2.962 20 10 FFCDLO C[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000926905420 738666979 /nfs/dbraw/zinc/66/69/79/738666979.db2.gz BLUBDRXMZAYWFX-LLVKDONJSA-N 1 2 355.406 2.967 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)cc(F)c1O ZINC000926947574 738671806 /nfs/dbraw/zinc/67/18/06/738671806.db2.gz KENSLBJWCLSGGL-VKZHRDFRSA-N 1 2 360.223 2.748 20 10 FFCDLO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883023183 733322734 /nfs/dbraw/zinc/32/27/34/733322734.db2.gz NZASRCQCHUOJCF-UHFFFAOYSA-N 1 2 368.268 2.597 20 10 FFCDLO O=S(=O)(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccco1 ZINC000782466961 738724038 /nfs/dbraw/zinc/72/40/38/738724038.db2.gz FSTCPDBJAXFYJK-AWEZNQCLSA-N 1 2 370.858 2.582 20 10 FFCDLO O=S(=O)(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccco1 ZINC000782466961 738724040 /nfs/dbraw/zinc/72/40/40/738724040.db2.gz FSTCPDBJAXFYJK-AWEZNQCLSA-N 1 2 370.858 2.582 20 10 FFCDLO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708210881 734362897 /nfs/dbraw/zinc/36/28/97/734362897.db2.gz IHSBJSQOOSXWSO-CQSZACIVSA-N 1 2 361.667 2.766 20 10 FFCDLO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708210881 734362901 /nfs/dbraw/zinc/36/29/01/734362901.db2.gz IHSBJSQOOSXWSO-CQSZACIVSA-N 1 2 361.667 2.766 20 10 FFCDLO C[N@H+](Cc1nc(Br)c[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000891527823 734440983 /nfs/dbraw/zinc/44/09/83/734440983.db2.gz ZNASVKNUNQUMKJ-UHFFFAOYSA-N 1 2 365.275 2.641 20 10 FFCDLO C[N@@H+](Cc1nc(Br)c[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000891527823 734440986 /nfs/dbraw/zinc/44/09/86/734440986.db2.gz ZNASVKNUNQUMKJ-UHFFFAOYSA-N 1 2 365.275 2.641 20 10 FFCDLO O=C1CCCN1C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894003002 734785329 /nfs/dbraw/zinc/78/53/29/734785329.db2.gz ZSLIPBKNGSRNCN-UHFFFAOYSA-N 1 2 371.250 2.881 20 10 FFCDLO O=C1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3O)CC[C@H]2N1 ZINC000895258129 734982202 /nfs/dbraw/zinc/98/22/02/734982202.db2.gz BPENHWJONXLBNX-TVQRCGJNSA-N 1 2 373.678 2.909 20 10 FFCDLO O=C1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)CC[C@H]2N1 ZINC000895258129 734982206 /nfs/dbraw/zinc/98/22/06/734982206.db2.gz BPENHWJONXLBNX-TVQRCGJNSA-N 1 2 373.678 2.909 20 10 FFCDLO COc1nn(C)cc1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000903337353 736077244 /nfs/dbraw/zinc/07/72/44/736077244.db2.gz IQENFPJHXQTDQK-MRVPVSSYSA-N 1 2 358.211 2.887 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1 ZINC000903342137 736077752 /nfs/dbraw/zinc/07/77/52/736077752.db2.gz XGZBCWAVZLBOKX-VIFPVBQESA-N 1 2 357.332 2.782 20 10 FFCDLO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756481979 736335408 /nfs/dbraw/zinc/33/54/08/736335408.db2.gz ZEVONWHCGXCKAD-GFCCVEGCSA-N 1 2 370.421 2.608 20 10 FFCDLO CCn1cnnc1CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756734041 736356686 /nfs/dbraw/zinc/35/66/86/736356686.db2.gz SWYIXCJUGYOAIA-SECBINFHSA-N 1 2 357.227 2.799 20 10 FFCDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000800534598 740532426 /nfs/dbraw/zinc/53/24/26/740532426.db2.gz PZRBBNIDAIMXKB-ZDUSSCGKSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000800534598 740532429 /nfs/dbraw/zinc/53/24/29/740532429.db2.gz PZRBBNIDAIMXKB-ZDUSSCGKSA-N 1 2 362.289 2.554 20 10 FFCDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465537 737424413 /nfs/dbraw/zinc/42/44/13/737424413.db2.gz IORBBYBAULVVQC-LLVKDONJSA-N 1 2 360.357 2.925 20 10 FFCDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465537 737424415 /nfs/dbraw/zinc/42/44/15/737424415.db2.gz IORBBYBAULVVQC-LLVKDONJSA-N 1 2 360.357 2.925 20 10 FFCDLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000787440626 739137371 /nfs/dbraw/zinc/13/73/71/739137371.db2.gz LDDLUPQASORWRF-AWEZNQCLSA-N 1 2 350.434 2.578 20 10 FFCDLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000787440626 739137376 /nfs/dbraw/zinc/13/73/76/739137376.db2.gz LDDLUPQASORWRF-AWEZNQCLSA-N 1 2 350.434 2.578 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1O ZINC000932780281 739516510 /nfs/dbraw/zinc/51/65/10/739516510.db2.gz PQFIPPUBBDNLKO-OAHLLOKOSA-N 1 2 352.818 2.569 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000795826912 740068088 /nfs/dbraw/zinc/06/80/88/740068088.db2.gz CQDQMTDHRMFVST-AXFHLTTASA-N 1 2 362.239 2.589 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000796551665 740153145 /nfs/dbraw/zinc/15/31/45/740153145.db2.gz ZCGKAHVAIFDTQH-OAHLLOKOSA-N 1 2 352.406 2.787 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000796551665 740153147 /nfs/dbraw/zinc/15/31/47/740153147.db2.gz ZCGKAHVAIFDTQH-OAHLLOKOSA-N 1 2 352.406 2.787 20 10 FFCDLO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816608467 742046736 /nfs/dbraw/zinc/04/67/36/742046736.db2.gz APAGTLHHOGHGQP-UHFFFAOYSA-N 1 2 362.788 2.961 20 10 FFCDLO O=C(N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CC[C@@H]2C1)C(F)(F)F ZINC000824829759 743158548 /nfs/dbraw/zinc/15/85/48/743158548.db2.gz QYBZNGHIDHHIIL-PWSUYJOCSA-N 1 2 362.779 2.888 20 10 FFCDLO O=C(N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CC[C@@H]2C1)C(F)(F)F ZINC000824829759 743158553 /nfs/dbraw/zinc/15/85/53/743158553.db2.gz QYBZNGHIDHHIIL-PWSUYJOCSA-N 1 2 362.779 2.888 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000825774577 743325284 /nfs/dbraw/zinc/32/52/84/743325284.db2.gz YRLAJUVMWGZLGC-CYBMUJFWSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000825774577 743325288 /nfs/dbraw/zinc/32/52/88/743325288.db2.gz YRLAJUVMWGZLGC-CYBMUJFWSA-N 1 2 362.289 2.554 20 10 FFCDLO CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H]1COCC12OCCO2 ZINC000839172119 746792898 /nfs/dbraw/zinc/79/28/98/746792898.db2.gz HNDAUVBPYVNEIH-AWEZNQCLSA-N 1 2 359.825 2.690 20 10 FFCDLO COc1ccc(N(C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000844353732 748010281 /nfs/dbraw/zinc/01/02/81/748010281.db2.gz YBMIPWAQLZPNFQ-UHFFFAOYSA-N 1 2 359.495 2.537 20 10 FFCDLO CCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000846207534 748430707 /nfs/dbraw/zinc/43/07/07/748430707.db2.gz CSLJUXKDHMNSKN-UWVGGRQHSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)cc(F)c1O ZINC000848565501 748962170 /nfs/dbraw/zinc/96/21/70/748962170.db2.gz XOALSOIPBFPERB-SCZZXKLOSA-N 1 2 369.238 2.630 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)cc(F)c1O ZINC000848573399 748963478 /nfs/dbraw/zinc/96/34/78/748963478.db2.gz ZMPUOXFBQHYJTP-GZMMTYOYSA-N 1 2 373.222 2.928 20 10 FFCDLO CO[C@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@H]1CCOC1 ZINC000850484633 749371758 /nfs/dbraw/zinc/37/17/58/749371758.db2.gz NHACSQMKNZTPRB-ISTVAULSSA-N 1 2 362.239 2.996 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccc(F)cc1 ZINC000896573442 971593499 /nfs/dbraw/zinc/59/34/99/971593499.db2.gz USMCNNZPKVHSNL-FOIQADDNSA-N 1 2 372.488 2.597 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccc(F)cc1 ZINC000896573442 971593503 /nfs/dbraw/zinc/59/35/03/971593503.db2.gz USMCNNZPKVHSNL-FOIQADDNSA-N 1 2 372.488 2.597 20 10 FFCDLO O=c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(F)c(F)cc2O)[nH]1 ZINC001279109298 970063973 /nfs/dbraw/zinc/06/39/73/970063973.db2.gz ZYGWKLQKBVDVBN-GASCZTMLSA-N 1 2 361.392 2.620 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cn(C[C@@H]3CCCO3)nn2)cc1 ZINC000876550667 1014299028 /nfs/dbraw/zinc/29/90/28/1014299028.db2.gz AOSSUGIJDXPGFD-FQEVSTJZSA-N 1 2 357.502 2.935 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn(C[C@@H]3CCCO3)nn2)cc1 ZINC000876550667 1014299033 /nfs/dbraw/zinc/29/90/33/1014299033.db2.gz AOSSUGIJDXPGFD-FQEVSTJZSA-N 1 2 357.502 2.935 20 10 FFCDLO Cc1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)c(C)n1-c1cccc(Cl)c1 ZINC000898887548 976748739 /nfs/dbraw/zinc/74/87/39/976748739.db2.gz CPKJYHUZRNTBIR-QGZVFWFLSA-N 1 2 372.856 2.944 20 10 FFCDLO C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000729623642 981188846 /nfs/dbraw/zinc/18/88/46/981188846.db2.gz NOKBKOVNGROJNX-IRXDYDNUSA-N 1 2 374.529 2.536 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)cc1 ZINC001136882685 996956697 /nfs/dbraw/zinc/95/66/97/996956697.db2.gz AASLBPIHDILHJO-UHFFFAOYSA-N 1 2 366.465 2.682 20 10 FFCDLO CCOC(=O)c1[nH]ccc1C[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001144337493 998388202 /nfs/dbraw/zinc/38/82/02/998388202.db2.gz DRXJKJVJMJVRAO-UHFFFAOYSA-N 1 2 357.454 2.912 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+](C)CC[C@H](C)O)c2C)cc1 ZINC000744407009 999855658 /nfs/dbraw/zinc/85/56/58/999855658.db2.gz QOFGEHARHCKNKT-HNNXBMFYSA-N 1 2 372.465 2.766 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+](C)CC[C@H](C)O)c2C)cc1 ZINC000744407009 999855661 /nfs/dbraw/zinc/85/56/61/999855661.db2.gz QOFGEHARHCKNKT-HNNXBMFYSA-N 1 2 372.465 2.766 20 10 FFCDLO COc1ccc(N2CCC(NC(=O)Nc3cc(C)[nH+]cc3C)CC2)cc1 ZINC000767946294 1000163251 /nfs/dbraw/zinc/16/32/51/1000163251.db2.gz HMQAJUZLJIOFAX-UHFFFAOYSA-N 1 2 354.454 2.919 20 10 FFCDLO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)ccc1N1CCCCC1 ZINC000769558416 1000547609 /nfs/dbraw/zinc/54/76/09/1000547609.db2.gz WOOSDWRLEICUCR-IBGZPJMESA-N 1 2 361.442 2.576 20 10 FFCDLO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)ccc1N1CCCCC1 ZINC000769558416 1000547611 /nfs/dbraw/zinc/54/76/11/1000547611.db2.gz WOOSDWRLEICUCR-IBGZPJMESA-N 1 2 361.442 2.576 20 10 FFCDLO O=C(Nc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1)C1=S=CC=C1 ZINC000770659490 1000869146 /nfs/dbraw/zinc/86/91/46/1000869146.db2.gz SHXFBQQRRZLSFE-UHFFFAOYSA-N 1 2 362.414 2.803 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3occc3C(C)C)CC2)cc1 ZINC000785986398 1001514430 /nfs/dbraw/zinc/51/44/30/1001514430.db2.gz IQWCEWNJIUUBNJ-UHFFFAOYSA-N 1 2 371.481 2.964 20 10 FFCDLO O=C(OCc1ccccc1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000746624394 1001656687 /nfs/dbraw/zinc/65/66/87/1001656687.db2.gz GIZOWOSWNLZHLH-UHFFFAOYSA-N 1 2 370.405 2.575 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3C[C@H](C)CC34CC4)cc12 ZINC001184360390 1002568093 /nfs/dbraw/zinc/56/80/93/1002568093.db2.gz GJBLRDHGTKAIOZ-CYBMUJFWSA-N 1 2 370.449 2.640 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3C[C@H](C)CC34CC4)cc12 ZINC001184360390 1002568104 /nfs/dbraw/zinc/56/81/04/1002568104.db2.gz GJBLRDHGTKAIOZ-CYBMUJFWSA-N 1 2 370.449 2.640 20 10 FFCDLO CCC(CC)CNC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184355306 1002579953 /nfs/dbraw/zinc/57/99/53/1002579953.db2.gz WCLHXNDMBLWMOA-UHFFFAOYSA-N 1 2 360.454 2.791 20 10 FFCDLO CCC(CC)CNC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184355306 1002579963 /nfs/dbraw/zinc/57/99/63/1002579963.db2.gz WCLHXNDMBLWMOA-UHFFFAOYSA-N 1 2 360.454 2.791 20 10 FFCDLO COc1c(O)c(C[NH2+]Cc2nc(C)c3ccccc3n2)ccc1[N+](=O)[O-] ZINC000774988794 1003218275 /nfs/dbraw/zinc/21/82/75/1003218275.db2.gz IOCJHHNFJVCDRU-UHFFFAOYSA-N 1 2 354.366 2.850 20 10 FFCDLO Cc1cc(C)c(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c[nH+]1 ZINC000852375258 1005997082 /nfs/dbraw/zinc/99/70/82/1005997082.db2.gz YNEWQIODKDHLBQ-UHFFFAOYSA-N 1 2 368.481 2.659 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)C2)cc1 ZINC000854301122 1006766158 /nfs/dbraw/zinc/76/61/58/1006766158.db2.gz ITVNXSRNCXPDAF-HOTGVXAUSA-N 1 2 369.469 2.586 20 10 FFCDLO C[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccc(N2CCOCC2)cc1 ZINC000775257386 1007125293 /nfs/dbraw/zinc/12/52/93/1007125293.db2.gz JATIBXLVCGOPFE-GFCCVEGCSA-N 1 2 370.375 2.862 20 10 FFCDLO Cn1c2ccccc2[nH+]c1NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000884693982 1007510437 /nfs/dbraw/zinc/51/04/37/1007510437.db2.gz WNIACGGPECVGLS-UHFFFAOYSA-N 1 2 363.465 2.887 20 10 FFCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000819760893 1008232028 /nfs/dbraw/zinc/23/20/28/1008232028.db2.gz JMDGJLIAGLMDKK-HNNXBMFYSA-N 1 2 359.466 2.941 20 10 FFCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000819760893 1008232033 /nfs/dbraw/zinc/23/20/33/1008232033.db2.gz JMDGJLIAGLMDKK-HNNXBMFYSA-N 1 2 359.466 2.941 20 10 FFCDLO CN1c2ccccc2C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000857880898 1008233814 /nfs/dbraw/zinc/23/38/14/1008233814.db2.gz OEBDNFRBAZYRRW-UHFFFAOYSA-N 1 2 351.450 2.502 20 10 FFCDLO CN1c2ccccc2C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000857880898 1008233817 /nfs/dbraw/zinc/23/38/17/1008233817.db2.gz OEBDNFRBAZYRRW-UHFFFAOYSA-N 1 2 351.450 2.502 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(F)cc(F)c1O ZINC000858565695 1008383420 /nfs/dbraw/zinc/38/34/20/1008383420.db2.gz XICWHSUZGZQOMP-XJKSGUPXSA-N 1 2 363.408 2.617 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000859392653 1008510279 /nfs/dbraw/zinc/51/02/79/1008510279.db2.gz YYNYOAUSMUMUTH-UHFFFAOYSA-N 1 2 362.433 2.729 20 10 FFCDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001179684020 1009401894 /nfs/dbraw/zinc/40/18/94/1009401894.db2.gz IRCBQPUWLAERGU-HWKANZROSA-N 1 2 353.422 2.580 20 10 FFCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000016878167 1011123621 /nfs/dbraw/zinc/12/36/21/1011123621.db2.gz OGKVIEPDPMMVIS-NRFANRHFSA-N 1 2 370.497 2.787 20 10 FFCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000016878167 1011123625 /nfs/dbraw/zinc/12/36/25/1011123625.db2.gz OGKVIEPDPMMVIS-NRFANRHFSA-N 1 2 370.497 2.787 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)cc1F ZINC000122106706 1011242107 /nfs/dbraw/zinc/24/21/07/1011242107.db2.gz CPTGGRJMVASGMI-HOTGVXAUSA-N 1 2 363.477 2.746 20 10 FFCDLO Cc1ccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)nc1 ZINC001217055819 1032599579 /nfs/dbraw/zinc/59/95/79/1032599579.db2.gz BGXLKWDSPIAMEB-UHFFFAOYSA-N 1 2 352.394 2.645 20 10 FFCDLO O=C1N(CC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001275229751 1012112678 /nfs/dbraw/zinc/11/26/78/1012112678.db2.gz PRIAFBQTZANLCX-OAHLLOKOSA-N 1 2 364.314 2.657 20 10 FFCDLO O=C1N(CC(F)(F)F)CC[C@@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001275229751 1012112689 /nfs/dbraw/zinc/11/26/89/1012112689.db2.gz PRIAFBQTZANLCX-OAHLLOKOSA-N 1 2 364.314 2.657 20 10 FFCDLO O=C1COCC2(C[NH+](Cc3cc(Cl)ccc3O)C2)N1CC1CCCC1 ZINC001275253518 1012150705 /nfs/dbraw/zinc/15/07/05/1012150705.db2.gz BULMHGFXOMEZPN-UHFFFAOYSA-N 1 2 364.873 2.649 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(F)C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@]2(F)C1=O ZINC001275771157 1012986750 /nfs/dbraw/zinc/98/67/50/1012986750.db2.gz KWDBKAHTEHAVCG-ZOCIIQOWSA-N 1 2 352.425 2.882 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(F)C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@]2(F)C1=O ZINC001275771157 1012986756 /nfs/dbraw/zinc/98/67/56/1012986756.db2.gz KWDBKAHTEHAVCG-ZOCIIQOWSA-N 1 2 352.425 2.882 20 10 FFCDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c2ncnn21 ZINC000924713529 1017439438 /nfs/dbraw/zinc/43/94/38/1017439438.db2.gz FEWCZBGKFGHXPI-SZOQZIPDSA-N 1 2 359.449 2.826 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(N)[nH+]c3)ccc21 ZINC000927777472 1018664083 /nfs/dbraw/zinc/66/40/83/1018664083.db2.gz AKXKTWDDIVBPAA-UHFFFAOYSA-N 1 2 352.438 2.812 20 10 FFCDLO C[C@@H]1CN(c2ccc(CNC(=O)CNc3cccc[nH+]3)cc2F)C[C@H](C)O1 ZINC000900268996 1020320054 /nfs/dbraw/zinc/32/00/54/1020320054.db2.gz HSESKLQRNJLHOO-GASCZTMLSA-N 1 2 372.444 2.563 20 10 FFCDLO CO[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1 ZINC000752322959 1023116004 /nfs/dbraw/zinc/11/60/04/1023116004.db2.gz WVPCTOXRMDZQJU-KRWDZBQOSA-N 1 2 370.449 2.769 20 10 FFCDLO CO[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1 ZINC000752322959 1023116009 /nfs/dbraw/zinc/11/60/09/1023116009.db2.gz WVPCTOXRMDZQJU-KRWDZBQOSA-N 1 2 370.449 2.769 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000756571389 1023729713 /nfs/dbraw/zinc/72/97/13/1023729713.db2.gz ZEENJMYZHOHTHR-WCQYABFASA-N 1 2 361.392 2.699 20 10 FFCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)C[C@@H]1O ZINC001203564490 1030766801 /nfs/dbraw/zinc/76/68/01/1030766801.db2.gz JXWYRFJVYXHDAG-CPCISQLKSA-N 1 2 365.065 2.730 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)C[C@@H]1O ZINC001203564490 1030766811 /nfs/dbraw/zinc/76/68/11/1030766811.db2.gz JXWYRFJVYXHDAG-CPCISQLKSA-N 1 2 365.065 2.730 20 10 FFCDLO COc1cccc2c1C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000831940540 1034424534 /nfs/dbraw/zinc/42/45/34/1034424534.db2.gz XQYLGYZITOEYKK-UHFFFAOYSA-N 1 2 367.493 2.778 20 10 FFCDLO COc1cccc2c1C[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000831940540 1034424537 /nfs/dbraw/zinc/42/45/37/1034424537.db2.gz XQYLGYZITOEYKK-UHFFFAOYSA-N 1 2 367.493 2.778 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(c2ncccc2F)CC1 ZINC001139130025 1034958741 /nfs/dbraw/zinc/95/87/41/1034958741.db2.gz NYJTVHVFOFOHCC-UHFFFAOYSA-N 1 2 369.396 2.663 20 10 FFCDLO CCN(C(C)=O)C1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139132905 1034960400 /nfs/dbraw/zinc/96/04/00/1034960400.db2.gz CFRXKTKRAXXBBP-UHFFFAOYSA-N 1 2 358.438 2.640 20 10 FFCDLO CN(C)c1ccc(/C=C/C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000835025226 1035488923 /nfs/dbraw/zinc/48/89/23/1035488923.db2.gz GNGSYQATWWZNSK-SNAWJCMRSA-N 1 2 350.466 2.619 20 10 FFCDLO O=C1N(CC(F)F)CC[C@]12CCC[N@H+]2Cc1cc(Cl)c(O)cc1O ZINC001277665726 1035692538 /nfs/dbraw/zinc/69/25/38/1035692538.db2.gz PHFIIFIQSSYSRY-MRXNPFEDSA-N 1 2 360.788 2.583 20 10 FFCDLO O=C1N(CC(F)F)CC[C@]12CCC[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001277665726 1035692548 /nfs/dbraw/zinc/69/25/48/1035692548.db2.gz PHFIIFIQSSYSRY-MRXNPFEDSA-N 1 2 360.788 2.583 20 10 FFCDLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233009859 1036243770 /nfs/dbraw/zinc/24/37/70/1036243770.db2.gz DXWSLZKGZYPWBR-LBPRGKRZSA-N 1 2 352.431 2.635 20 10 FFCDLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233009859 1036243780 /nfs/dbraw/zinc/24/37/80/1036243780.db2.gz DXWSLZKGZYPWBR-LBPRGKRZSA-N 1 2 352.431 2.635 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(O)cc(Br)cc3F)CC[C@@H]21 ZINC001233033945 1036274080 /nfs/dbraw/zinc/27/40/80/1036274080.db2.gz YWDAKUXNRVSMOU-YGRLFVJLSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3c(O)cc(Br)cc3F)CC[C@@H]21 ZINC001233033945 1036274103 /nfs/dbraw/zinc/27/41/03/1036274103.db2.gz YWDAKUXNRVSMOU-YGRLFVJLSA-N 1 2 371.250 2.737 20 10 FFCDLO Cc1cc(Br)cc(C[NH+]2CC(N3CCC(F)(F)C3)C2)c1O ZINC001233109684 1036356862 /nfs/dbraw/zinc/35/68/62/1036356862.db2.gz FSODNQPYYGQZCL-UHFFFAOYSA-N 1 2 361.230 2.988 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)Cc2c1cnn2C ZINC001233288746 1036495578 /nfs/dbraw/zinc/49/55/78/1036495578.db2.gz WDZQABFPROERTL-ZDUSSCGKSA-N 1 2 365.861 2.924 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)Cc2c1cnn2C ZINC001233288746 1036495581 /nfs/dbraw/zinc/49/55/81/1036495581.db2.gz WDZQABFPROERTL-ZDUSSCGKSA-N 1 2 365.861 2.924 20 10 FFCDLO Cc1cc(O[C@H]2C[NH+]3CCC2CC3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001229543152 1036733301 /nfs/dbraw/zinc/73/33/01/1036733301.db2.gz WDEMHGWJWFZILT-SFHVURJKSA-N 1 2 363.413 2.949 20 10 FFCDLO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(OC)c1 ZINC001141032876 1036779416 /nfs/dbraw/zinc/77/94/16/1036779416.db2.gz QXKPKUQIOOFQQG-KRWDZBQOSA-N 1 2 356.413 2.715 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3ccc4c(n3)OCCO4)CC2)cc1 ZINC001233905581 1036820209 /nfs/dbraw/zinc/82/02/09/1036820209.db2.gz YQWXHESXBMDYIM-UHFFFAOYSA-N 1 2 355.438 2.574 20 10 FFCDLO CC[N@@H+]1CCC[C@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234752339 1037169300 /nfs/dbraw/zinc/16/93/00/1037169300.db2.gz HAJCSXDLLSJBHM-LBPRGKRZSA-N 1 2 371.389 2.926 20 10 FFCDLO CC[N@H+]1CCC[C@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234752339 1037169311 /nfs/dbraw/zinc/16/93/11/1037169311.db2.gz HAJCSXDLLSJBHM-LBPRGKRZSA-N 1 2 371.389 2.926 20 10 FFCDLO Oc1c(F)cc(Br)cc1CN1CCC([NH+]2CCOCC2)CC1 ZINC001235057501 1037331659 /nfs/dbraw/zinc/33/16/59/1037331659.db2.gz PWPKNGQPGJDTAV-UHFFFAOYSA-N 1 2 373.266 2.590 20 10 FFCDLO Cc1noc([C@@H]2CC[N@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235305605 1037464211 /nfs/dbraw/zinc/46/42/11/1037464211.db2.gz OUIQDVGHBIVZCB-SECBINFHSA-N 1 2 356.195 2.975 20 10 FFCDLO Cc1noc([C@@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)n1 ZINC001235305605 1037464217 /nfs/dbraw/zinc/46/42/17/1037464217.db2.gz OUIQDVGHBIVZCB-SECBINFHSA-N 1 2 356.195 2.975 20 10 FFCDLO COc1cc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(O)cc1O ZINC001231638229 1037760665 /nfs/dbraw/zinc/76/06/65/1037760665.db2.gz WRDCZIABDVKVRW-UHFFFAOYSA-N 1 2 360.429 2.953 20 10 FFCDLO COc1cc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(O)cc1O ZINC001231638229 1037760684 /nfs/dbraw/zinc/76/06/84/1037760684.db2.gz WRDCZIABDVKVRW-UHFFFAOYSA-N 1 2 360.429 2.953 20 10 FFCDLO Cc1cc(C)c(C[N@@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001231845048 1037943552 /nfs/dbraw/zinc/94/35/52/1037943552.db2.gz WMJOXAKLMSIAQU-AEFFLSMTSA-N 1 2 362.470 2.829 20 10 FFCDLO Cc1cc(C)c(C[N@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001231845048 1037943557 /nfs/dbraw/zinc/94/35/57/1037943557.db2.gz WMJOXAKLMSIAQU-AEFFLSMTSA-N 1 2 362.470 2.829 20 10 FFCDLO Cc1cc(C)c(C[N@@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001231849895 1037945707 /nfs/dbraw/zinc/94/57/07/1037945707.db2.gz UVJKCWJPERQQCT-HNNXBMFYSA-N 1 2 350.459 2.735 20 10 FFCDLO Cc1cc(C)c(C[N@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001231849895 1037945717 /nfs/dbraw/zinc/94/57/17/1037945717.db2.gz UVJKCWJPERQQCT-HNNXBMFYSA-N 1 2 350.459 2.735 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255682245 1038126600 /nfs/dbraw/zinc/12/66/00/1038126600.db2.gz FQOXFYPHCVPFFV-AVGNSLFASA-N 1 2 361.360 2.893 20 10 FFCDLO CC(=O)N1CCC2(C[NH+](Cc3cc(C)cc(Br)c3O)C2)C1 ZINC001236664132 1038179602 /nfs/dbraw/zinc/17/96/02/1038179602.db2.gz CNULTCMXQVGKKO-UHFFFAOYSA-N 1 2 353.260 2.517 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(c3ncccc3F)CC2)c(Cl)c1 ZINC001236806205 1038280857 /nfs/dbraw/zinc/28/08/57/1038280857.db2.gz QGISRZHKYHCNSI-UHFFFAOYSA-N 1 2 351.809 2.911 20 10 FFCDLO CCOc1ccc(C[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)c(O)c1 ZINC001237041717 1038418344 /nfs/dbraw/zinc/41/83/44/1038418344.db2.gz SLRCFWDMJCPAKV-UHFFFAOYSA-N 1 2 367.453 2.638 20 10 FFCDLO CCOc1ccc(C[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)c(O)c1 ZINC001237041717 1038418348 /nfs/dbraw/zinc/41/83/48/1038418348.db2.gz SLRCFWDMJCPAKV-UHFFFAOYSA-N 1 2 367.453 2.638 20 10 FFCDLO Oc1ccc(F)c(Cl)c1C[NH+]1CCN(c2nccc(Cl)n2)CC1 ZINC001237125548 1038450849 /nfs/dbraw/zinc/45/08/49/1038450849.db2.gz DOUUJYCLFAJTOI-UHFFFAOYSA-N 1 2 357.216 2.950 20 10 FFCDLO COc1ccc(CN2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)c(O)c1 ZINC001278577180 1041239695 /nfs/dbraw/zinc/23/96/95/1041239695.db2.gz OTKYQQWFIWGJBB-IYBDPMFKSA-N 1 2 374.403 2.628 20 10 FFCDLO COc1ccc(CN2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)c(O)c1 ZINC001278577180 1041239708 /nfs/dbraw/zinc/23/97/08/1041239708.db2.gz OTKYQQWFIWGJBB-IYBDPMFKSA-N 1 2 374.403 2.628 20 10 FFCDLO CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3c(O)cc(F)cc3F)[C@@H]2C1 ZINC001278606071 1041394916 /nfs/dbraw/zinc/39/49/16/1041394916.db2.gz QXMUSAFXKIKDRW-SUMWQHHRSA-N 1 2 362.424 2.593 20 10 FFCDLO CCn1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3c(O)cc(F)cc3F)[C@@H]2C1 ZINC001278606071 1041394924 /nfs/dbraw/zinc/39/49/24/1041394924.db2.gz QXMUSAFXKIKDRW-SUMWQHHRSA-N 1 2 362.424 2.593 20 10 FFCDLO COC(=O)C1(C2(O)CC[NH+](Cc3cccc(Cl)c3O)CC2)CCC1 ZINC001262379287 1041667014 /nfs/dbraw/zinc/66/70/14/1041667014.db2.gz WNOQIULHPLWOCN-UHFFFAOYSA-N 1 2 353.846 2.716 20 10 FFCDLO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC001237624519 1043280517 /nfs/dbraw/zinc/28/05/17/1043280517.db2.gz VRXWXVFRBLNVGU-ZDUSSCGKSA-N 1 2 367.808 2.945 20 10 FFCDLO COc1cc(C)nc(O[C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC001237624519 1043280529 /nfs/dbraw/zinc/28/05/29/1043280529.db2.gz VRXWXVFRBLNVGU-ZDUSSCGKSA-N 1 2 367.808 2.945 20 10 FFCDLO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237800889 1043366513 /nfs/dbraw/zinc/36/65/13/1043366513.db2.gz DESGCRBCKQGYHK-CQSZACIVSA-N 1 2 358.841 2.644 20 10 FFCDLO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237800889 1043366524 /nfs/dbraw/zinc/36/65/24/1043366524.db2.gz DESGCRBCKQGYHK-CQSZACIVSA-N 1 2 358.841 2.644 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(F)c(C)n3)CC2)cc1 ZINC001237828957 1043387117 /nfs/dbraw/zinc/38/71/17/1043387117.db2.gz UXJDTAGDCNWHLN-UHFFFAOYSA-N 1 2 359.445 2.877 20 10 FFCDLO O=S(=O)(Nc1ccc(C[C@H]2CCC[NH2+]C2)cc1)c1cccc2nonc21 ZINC001237941131 1043446198 /nfs/dbraw/zinc/44/61/98/1043446198.db2.gz LZKZGCNOEMUTKZ-CQSZACIVSA-N 1 2 372.450 2.566 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1)c1ccccn1 ZINC001237940823 1043446624 /nfs/dbraw/zinc/44/66/24/1043446624.db2.gz NZGCIYVFJACYBY-CYBMUJFWSA-N 1 2 363.820 2.974 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1)c1ccccn1 ZINC001237940823 1043446628 /nfs/dbraw/zinc/44/66/28/1043446628.db2.gz NZGCIYVFJACYBY-CYBMUJFWSA-N 1 2 363.820 2.974 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001332025542 1048216256 /nfs/dbraw/zinc/21/62/56/1048216256.db2.gz QDLBPMNKMOZBRX-CYBMUJFWSA-N 1 2 374.250 2.657 20 10 FFCDLO CCOc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(N)cc3)CC2)cc1 ZINC001346738200 1053272818 /nfs/dbraw/zinc/27/28/18/1053272818.db2.gz DZHAZCUSUCXPEV-UHFFFAOYSA-N 1 2 368.481 2.695 20 10 FFCDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001338235853 1055346131 /nfs/dbraw/zinc/34/61/31/1055346131.db2.gz VHJXOVCPFDOBSG-SNVBAGLBSA-N 1 2 371.250 2.784 20 10 FFCDLO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001338235853 1055346149 /nfs/dbraw/zinc/34/61/49/1055346149.db2.gz VHJXOVCPFDOBSG-SNVBAGLBSA-N 1 2 371.250 2.784 20 10 FFCDLO CC1(c2nnc(C3CCOCC3)o2)C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001462451469 1061629497 /nfs/dbraw/zinc/62/94/97/1061629497.db2.gz LRQZPFQLEUQMJQ-UHFFFAOYSA-N 1 2 365.380 2.721 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001474510528 1065539893 /nfs/dbraw/zinc/53/98/93/1065539893.db2.gz KPXQGPYAZZUERB-KGLIPLIRSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001474510528 1065539899 /nfs/dbraw/zinc/53/98/99/1065539899.db2.gz KPXQGPYAZZUERB-KGLIPLIRSA-N 1 2 370.396 2.540 20 10 FFCDLO COc1ccc(N2CCC[N@H+](Cc3csc(NC(C)=O)n3)CC2)cc1 ZINC000053773134 506441131 /nfs/dbraw/zinc/44/11/31/506441131.db2.gz HTVKQCKGNABRIP-UHFFFAOYSA-N 1 2 360.483 2.822 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](Cc3csc(NC(C)=O)n3)CC2)cc1 ZINC000053773134 506441137 /nfs/dbraw/zinc/44/11/37/506441137.db2.gz HTVKQCKGNABRIP-UHFFFAOYSA-N 1 2 360.483 2.822 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000075956784 508146324 /nfs/dbraw/zinc/14/63/24/508146324.db2.gz UXUXWJDDPCABTK-UHFFFAOYSA-N 1 2 369.391 2.853 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000177250550 509959710 /nfs/dbraw/zinc/95/97/10/509959710.db2.gz WTZRQESWFDVTKR-QGZVFWFLSA-N 1 2 360.385 2.608 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000177250550 509959717 /nfs/dbraw/zinc/95/97/17/509959717.db2.gz WTZRQESWFDVTKR-QGZVFWFLSA-N 1 2 360.385 2.608 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000177250562 509960030 /nfs/dbraw/zinc/96/00/30/509960030.db2.gz WTZRQESWFDVTKR-KRWDZBQOSA-N 1 2 360.385 2.608 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000177250562 509960037 /nfs/dbraw/zinc/96/00/37/509960037.db2.gz WTZRQESWFDVTKR-KRWDZBQOSA-N 1 2 360.385 2.608 20 10 FFCDLO COc1cc(N(C)Cc2ccc(-n3cc[nH+]c3)nc2)cc(OC)c1OC ZINC000177293833 509983247 /nfs/dbraw/zinc/98/32/47/509983247.db2.gz PJUDFPRMNGHLEK-UHFFFAOYSA-N 1 2 354.410 2.930 20 10 FFCDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(O)c2O)C[C@H](C)O1 ZINC000188212149 510650578 /nfs/dbraw/zinc/65/05/78/510650578.db2.gz WIEYTHIKHOTYJC-KBPBESRZSA-N 1 2 356.422 2.959 20 10 FFCDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000278750721 511006481 /nfs/dbraw/zinc/00/64/81/511006481.db2.gz SDXWIMXZGJCXSU-SMDDNHRTSA-N 1 2 364.269 2.545 20 10 FFCDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000278750721 511006486 /nfs/dbraw/zinc/00/64/86/511006486.db2.gz SDXWIMXZGJCXSU-SMDDNHRTSA-N 1 2 364.269 2.545 20 10 FFCDLO C[N@H+](Cc1ncnn1CC(F)F)Cc1cc(Br)ccc1O ZINC000279079232 511018339 /nfs/dbraw/zinc/01/83/39/511018339.db2.gz RUDALEITXAWZPP-UHFFFAOYSA-N 1 2 361.190 2.643 20 10 FFCDLO C[N@@H+](Cc1ncnn1CC(F)F)Cc1cc(Br)ccc1O ZINC000279079232 511018347 /nfs/dbraw/zinc/01/83/47/511018347.db2.gz RUDALEITXAWZPP-UHFFFAOYSA-N 1 2 361.190 2.643 20 10 FFCDLO COc1cc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(O)c3)CC2)cc1OC ZINC000271004011 511053435 /nfs/dbraw/zinc/05/34/35/511053435.db2.gz GPEVMYDZYPCISN-UHFFFAOYSA-N 1 2 373.409 2.640 20 10 FFCDLO Cc1cc[nH+]c(C)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000287605835 511054267 /nfs/dbraw/zinc/05/42/67/511054267.db2.gz SMJXYIKODPBHOD-UHFFFAOYSA-N 1 2 358.417 2.996 20 10 FFCDLO C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000365240027 511336277 /nfs/dbraw/zinc/33/62/77/511336277.db2.gz GUOXRHZAWCXHGH-BBRMVZONSA-N 1 2 355.885 2.643 20 10 FFCDLO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000299095654 511513900 /nfs/dbraw/zinc/51/39/00/511513900.db2.gz VOVIMBUEFWHQMB-UHFFFAOYSA-N 1 2 367.453 2.954 20 10 FFCDLO COc1nccnc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000296230324 511664558 /nfs/dbraw/zinc/66/45/58/511664558.db2.gz CERCNVLFGAKWNX-ZIAGYGMSSA-N 1 2 360.433 2.528 20 10 FFCDLO C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898435790 735360853 /nfs/dbraw/zinc/36/08/53/735360853.db2.gz GGUUFUWUVYGSDZ-UTUOFQBUSA-N 1 2 364.467 2.540 20 10 FFCDLO C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898435790 735360859 /nfs/dbraw/zinc/36/08/59/735360859.db2.gz GGUUFUWUVYGSDZ-UTUOFQBUSA-N 1 2 364.467 2.540 20 10 FFCDLO C[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000134899157 728733875 /nfs/dbraw/zinc/73/38/75/728733875.db2.gz ZKUVPLMNDHRVRR-RNFRBKRXSA-N 1 2 353.054 2.949 20 10 FFCDLO C[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000134899117 728733889 /nfs/dbraw/zinc/73/38/89/728733889.db2.gz ZKUVPLMNDHRVRR-RQJHMYQMSA-N 1 2 353.054 2.949 20 10 FFCDLO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000857057813 730376504 /nfs/dbraw/zinc/37/65/04/730376504.db2.gz DZJLVVCVKRZKRE-OAHLLOKOSA-N 1 2 355.818 2.944 20 10 FFCDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876545101 732255513 /nfs/dbraw/zinc/25/55/13/732255513.db2.gz AFHZVOXNWCOMNU-SNVBAGLBSA-N 1 2 356.394 2.511 20 10 FFCDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876545101 732255515 /nfs/dbraw/zinc/25/55/15/732255515.db2.gz AFHZVOXNWCOMNU-SNVBAGLBSA-N 1 2 356.394 2.511 20 10 FFCDLO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000877700691 732416308 /nfs/dbraw/zinc/41/63/08/732416308.db2.gz FRGKNMRXZSPWQQ-HUUCEWRRSA-N 1 2 358.891 2.528 20 10 FFCDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000781526178 738634242 /nfs/dbraw/zinc/63/42/42/738634242.db2.gz CVVWDVMVRBSINM-GOSISDBHSA-N 1 2 350.434 2.580 20 10 FFCDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000781526178 738634244 /nfs/dbraw/zinc/63/42/44/738634244.db2.gz CVVWDVMVRBSINM-GOSISDBHSA-N 1 2 350.434 2.580 20 10 FFCDLO C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)cc(Cl)c1O ZINC000927136759 738695541 /nfs/dbraw/zinc/69/55/41/738695541.db2.gz SBLTUNHGZHJHGL-OQPBUACISA-N 1 2 374.666 2.926 20 10 FFCDLO O=C(NCCC[NH2+]Cc1cc(Br)cc(F)c1O)C1CCC1 ZINC000883027901 733323666 /nfs/dbraw/zinc/32/36/66/733323666.db2.gz SILRAXPAWLEJLW-UHFFFAOYSA-N 1 2 359.239 2.690 20 10 FFCDLO O=C(NCc1cccc(Cl)c1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000890759419 734336872 /nfs/dbraw/zinc/33/68/72/734336872.db2.gz AZDLADXVAVCHQE-KRWDZBQOSA-N 1 2 360.841 2.563 20 10 FFCDLO O=C(NCc1cccc(Cl)c1O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000890759419 734336876 /nfs/dbraw/zinc/33/68/76/734336876.db2.gz AZDLADXVAVCHQE-KRWDZBQOSA-N 1 2 360.841 2.563 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729286396 734569319 /nfs/dbraw/zinc/56/93/19/734569319.db2.gz PBRMCKCNWZZGMH-JKSUJKDBSA-N 1 2 361.511 2.995 20 10 FFCDLO O=C([C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1)N1CCCC1 ZINC000894780427 734915606 /nfs/dbraw/zinc/91/56/06/734915606.db2.gz CVQUSOCETSPVNK-NSHDSACASA-N 1 2 371.250 2.738 20 10 FFCDLO O=C([C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1)N1CCCC1 ZINC000894780427 734915607 /nfs/dbraw/zinc/91/56/07/734915607.db2.gz CVQUSOCETSPVNK-NSHDSACASA-N 1 2 371.250 2.738 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000895137764 734967717 /nfs/dbraw/zinc/96/77/17/734967717.db2.gz WZCDVJJYZBYHKI-UHFFFAOYSA-N 1 2 369.238 2.798 20 10 FFCDLO O=C1N(CC[NH2+]Cc2cccc(Br)c2O)C[C@@H]2CCCCN12 ZINC000895342023 734993689 /nfs/dbraw/zinc/99/36/89/734993689.db2.gz LMBRELBFFJDEGC-ZDUSSCGKSA-N 1 2 368.275 2.534 20 10 FFCDLO CNC(=O)Cc1nc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000749196861 735703443 /nfs/dbraw/zinc/70/34/43/735703443.db2.gz ZDGPBLUSSRVXCV-UHFFFAOYSA-N 1 2 358.511 2.662 20 10 FFCDLO CNC(=O)Cc1nc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000749196861 735703445 /nfs/dbraw/zinc/70/34/45/735703445.db2.gz ZDGPBLUSSRVXCV-UHFFFAOYSA-N 1 2 358.511 2.662 20 10 FFCDLO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Br)cc(F)c1O ZINC000903215934 736057052 /nfs/dbraw/zinc/05/70/52/736057052.db2.gz QYKFTEHYSXIKHM-ZJUUUORDSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCCOCC1)c1cc(Br)c(F)cc1O ZINC000903226546 736060222 /nfs/dbraw/zinc/06/02/22/736060222.db2.gz HDMHSAYMNPFNMM-LLVKDONJSA-N 1 2 361.255 2.667 20 10 FFCDLO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756448294 736332158 /nfs/dbraw/zinc/33/21/58/736332158.db2.gz BDBBJGJDQOPPCM-ZJUUUORDSA-N 1 2 359.239 2.955 20 10 FFCDLO C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756456751 736332913 /nfs/dbraw/zinc/33/29/13/736332913.db2.gz OGAGWPXJJOKZFN-GFCCVEGCSA-N 1 2 355.406 2.936 20 10 FFCDLO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)cc(F)c1O ZINC000756511153 736337669 /nfs/dbraw/zinc/33/76/69/736337669.db2.gz LXMVQYAZOYLUAJ-SKDRFNHKSA-N 1 2 362.239 2.732 20 10 FFCDLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756776484 736360687 /nfs/dbraw/zinc/36/06/87/736360687.db2.gz ZOYJOQBSLGXTGU-JRKPZEMJSA-N 1 2 359.239 2.859 20 10 FFCDLO OC[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000776176651 738168419 /nfs/dbraw/zinc/16/84/19/738168419.db2.gz ARRCIMSEDDFBLE-LLVKDONJSA-N 1 2 365.065 2.778 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922597617 738171502 /nfs/dbraw/zinc/17/15/02/738171502.db2.gz SDPBTSDJHVNFRI-UHFFFAOYSA-N 1 2 356.260 2.566 20 10 FFCDLO CCOC(=O)C1(COC)CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816596773 742045909 /nfs/dbraw/zinc/04/59/09/742045909.db2.gz PWVWVYWLUIMBBC-UHFFFAOYSA-N 1 2 359.825 2.976 20 10 FFCDLO Oc1cc(Br)ccc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000825132023 743216084 /nfs/dbraw/zinc/21/60/84/743216084.db2.gz VYBYRDGDWDXOIX-UHFFFAOYSA-N 1 2 364.243 2.998 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1 ZINC000825278855 743239692 /nfs/dbraw/zinc/23/96/92/743239692.db2.gz JTMXTWSXXUDWOB-CYBMUJFWSA-N 1 2 370.291 2.699 20 10 FFCDLO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1cccc(Cl)c1O)CO2 ZINC000827065158 743497919 /nfs/dbraw/zinc/49/79/19/743497919.db2.gz IEYMYZAFSKGRHB-CYBMUJFWSA-N 1 2 368.861 2.914 20 10 FFCDLO Oc1ccc(F)cc1C[NH+]1CC(O)(c2ccc(Br)cc2)C1 ZINC000827757677 744972163 /nfs/dbraw/zinc/97/21/63/744972163.db2.gz IAJRWNPAVLZULT-UHFFFAOYSA-N 1 2 352.203 2.997 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829106073 745166001 /nfs/dbraw/zinc/16/60/01/745166001.db2.gz GWHPZMJMRCDPIJ-KUHUBIRLSA-N 1 2 359.857 2.639 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829106073 745166007 /nfs/dbraw/zinc/16/60/07/745166007.db2.gz GWHPZMJMRCDPIJ-KUHUBIRLSA-N 1 2 359.857 2.639 20 10 FFCDLO COC[C@](C)(O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000834845182 745913544 /nfs/dbraw/zinc/91/35/44/745913544.db2.gz XWIBZEFXOLAUBB-LKFCYVNXSA-N 1 2 350.228 2.732 20 10 FFCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCC[C@H](OC)C1 ZINC000846108582 748409100 /nfs/dbraw/zinc/40/91/00/748409100.db2.gz PCWKDDUMVRPTBC-DIOULYMOSA-N 1 2 371.861 2.891 20 10 FFCDLO Cc1cc(Br)cc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1O ZINC000848923172 749035974 /nfs/dbraw/zinc/03/59/74/749035974.db2.gz AIDRBVYDCBZUSA-LBPRGKRZSA-N 1 2 367.247 2.723 20 10 FFCDLO CC(C)C(=O)N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048797084 845179527 /nfs/dbraw/zinc/17/95/27/845179527.db2.gz GEOQVUSHOJPZFR-UHFFFAOYSA-N 1 2 355.276 2.891 20 10 FFCDLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000871869899 1013094819 /nfs/dbraw/zinc/09/48/19/1013094819.db2.gz BQFKXUJGCAELPJ-UONOGXRCSA-N 1 2 359.426 2.710 20 10 FFCDLO COc1ccc(N2CC[NH+](C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)c(OC)c1 ZINC001175525151 1013498761 /nfs/dbraw/zinc/49/87/61/1013498761.db2.gz ZFSKCRCYIPRJMY-RHSMWYFYSA-N 1 2 374.403 2.936 20 10 FFCDLO Oc1cc(O)c(CCNc2cc[nH+]c(OCc3ccccn3)c2)cc1O ZINC001168013688 967979309 /nfs/dbraw/zinc/97/93/09/967979309.db2.gz IIVZKFLWYNFPQZ-UHFFFAOYSA-N 1 2 353.378 2.827 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)C2CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000178595124 977417812 /nfs/dbraw/zinc/41/78/12/977417812.db2.gz HOJKHRHGQWFACA-UHFFFAOYSA-N 1 2 370.449 2.505 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)C2CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000178595124 977417819 /nfs/dbraw/zinc/41/78/19/977417819.db2.gz HOJKHRHGQWFACA-UHFFFAOYSA-N 1 2 370.449 2.505 20 10 FFCDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3O)Cc3cccnc3N2C1 ZINC000877690778 1014684293 /nfs/dbraw/zinc/68/42/93/1014684293.db2.gz HJULJWJMMHBNFN-HUUCEWRRSA-N 1 2 361.392 2.675 20 10 FFCDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3O)Cc3cccnc3N2C1 ZINC000877690778 1014684299 /nfs/dbraw/zinc/68/42/99/1014684299.db2.gz HJULJWJMMHBNFN-HUUCEWRRSA-N 1 2 361.392 2.675 20 10 FFCDLO COc1c(O)c(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000877713960 1014694539 /nfs/dbraw/zinc/69/45/39/1014694539.db2.gz OTHUOLYVTYYVQP-OAHLLOKOSA-N 1 2 370.409 2.689 20 10 FFCDLO COc1c(O)c(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000877713960 1014694554 /nfs/dbraw/zinc/69/45/54/1014694554.db2.gz OTHUOLYVTYYVQP-OAHLLOKOSA-N 1 2 370.409 2.689 20 10 FFCDLO COc1ccc(N2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000038383622 1014732215 /nfs/dbraw/zinc/73/22/15/1014732215.db2.gz SSIABCDEKIZWME-UHFFFAOYSA-N 1 2 367.409 2.733 20 10 FFCDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000054497574 981432278 /nfs/dbraw/zinc/43/22/78/981432278.db2.gz QOYTZJPGQGJGMD-UHFFFAOYSA-N 1 2 368.433 2.641 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC000877922892 1014767487 /nfs/dbraw/zinc/76/74/87/1014767487.db2.gz WPKRENVUTOTQCS-UHFFFAOYSA-N 1 2 356.470 2.733 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC000877922892 1014767497 /nfs/dbraw/zinc/76/74/97/1014767497.db2.gz WPKRENVUTOTQCS-UHFFFAOYSA-N 1 2 356.470 2.733 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NC[C@H](C)[NH+]3CCOCC3)c2C)cc1 ZINC000914879867 988025682 /nfs/dbraw/zinc/02/56/82/988025682.db2.gz VAAFOVXBSDXRHT-INIZCTEOSA-N 1 2 371.481 2.553 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)cc2)CC1 ZINC000844132005 997674054 /nfs/dbraw/zinc/67/40/54/997674054.db2.gz BSFFBDGPUSIIKC-SFHVURJKSA-N 1 2 352.482 2.998 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000828234786 999563176 /nfs/dbraw/zinc/56/31/76/999563176.db2.gz NGJDMXLNPQUQCC-HNNXBMFYSA-N 1 2 355.467 2.665 20 10 FFCDLO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407135 1000044097 /nfs/dbraw/zinc/04/40/97/1000044097.db2.gz ZKONYLQRMXPZAO-JLTOFOAXSA-N 1 2 372.465 2.656 20 10 FFCDLO CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407135 1000044098 /nfs/dbraw/zinc/04/40/98/1000044098.db2.gz ZKONYLQRMXPZAO-JLTOFOAXSA-N 1 2 372.465 2.656 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001276191559 1016502709 /nfs/dbraw/zinc/50/27/09/1016502709.db2.gz LUSSTBOJBUWZCP-HXPMCKFVSA-N 1 2 366.408 2.605 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001276191559 1016502717 /nfs/dbraw/zinc/50/27/17/1016502717.db2.gz LUSSTBOJBUWZCP-HXPMCKFVSA-N 1 2 366.408 2.605 20 10 FFCDLO O=C([C@H]1CCc2[nH+]ccn2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000787119648 1001664555 /nfs/dbraw/zinc/66/45/55/1001664555.db2.gz CZJJDIRJXVRRPF-INIZCTEOSA-N 1 2 351.406 2.973 20 10 FFCDLO NC(=O)c1cccc2c1CC[N@H+](Cc1c(O)cccc1Br)C2 ZINC001183065980 1002151096 /nfs/dbraw/zinc/15/10/96/1002151096.db2.gz UHPJOHVOWMUMQG-UHFFFAOYSA-N 1 2 361.239 2.812 20 10 FFCDLO NC(=O)c1cccc2c1CC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC001183065980 1002151104 /nfs/dbraw/zinc/15/11/04/1002151104.db2.gz UHPJOHVOWMUMQG-UHFFFAOYSA-N 1 2 361.239 2.812 20 10 FFCDLO COc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(O)c1 ZINC000792856852 1003201475 /nfs/dbraw/zinc/20/14/75/1003201475.db2.gz AXXBFTFBXZTXOI-UHFFFAOYSA-N 1 2 352.394 2.586 20 10 FFCDLO Cc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)c(F)c1 ZINC001196380335 1003755237 /nfs/dbraw/zinc/75/52/37/1003755237.db2.gz NGGUUQZBRTTYAY-UHFFFAOYSA-N 1 2 363.458 2.687 20 10 FFCDLO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCCN1CC(F)(F)F ZINC001201542032 1005228067 /nfs/dbraw/zinc/22/80/67/1005228067.db2.gz MLUKSNOMKFAZPD-LLVKDONJSA-N 1 2 354.731 2.828 20 10 FFCDLO Cc1cc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc(C)[nH+]1 ZINC000852385725 1006000924 /nfs/dbraw/zinc/00/09/24/1006000924.db2.gz SIMVXYINCNONGC-UHFFFAOYSA-N 1 2 368.481 2.659 20 10 FFCDLO COc1cc(C)cc(C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c1O ZINC000814222841 1006213396 /nfs/dbraw/zinc/21/33/96/1006213396.db2.gz HIZACCDMXDRNOG-UHFFFAOYSA-N 1 2 350.422 2.848 20 10 FFCDLO COc1cc(C)cc(C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c1O ZINC000814222841 1006213401 /nfs/dbraw/zinc/21/34/01/1006213401.db2.gz HIZACCDMXDRNOG-UHFFFAOYSA-N 1 2 350.422 2.848 20 10 FFCDLO Cn1nccc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001206374672 1032259813 /nfs/dbraw/zinc/25/98/13/1032259813.db2.gz NNTBHYWFKDGROF-UHFFFAOYSA-N 1 2 363.465 2.716 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000858513666 1008372096 /nfs/dbraw/zinc/37/20/96/1008372096.db2.gz MZOKHPAWVZWHEL-OAHLLOKOSA-N 1 2 364.449 2.851 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cc(F)cc(F)c1O ZINC000858565692 1008382994 /nfs/dbraw/zinc/38/29/94/1008382994.db2.gz XICWHSUZGZQOMP-BBRMVZONSA-N 1 2 363.408 2.617 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3ccnc(F)c3)CC2)cc(OC)c1OC ZINC000859252213 1008493490 /nfs/dbraw/zinc/49/34/90/1008493490.db2.gz LAUKIQCYQTUULR-UHFFFAOYSA-N 1 2 361.417 2.569 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)c(F)c1 ZINC000823582113 1009118802 /nfs/dbraw/zinc/11/88/02/1009118802.db2.gz YFNLZICEULMPCU-SFHVURJKSA-N 1 2 365.376 2.769 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)c(F)c1 ZINC000823582113 1009118810 /nfs/dbraw/zinc/11/88/10/1009118810.db2.gz YFNLZICEULMPCU-SFHVURJKSA-N 1 2 365.376 2.769 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)CN2Cc3cc(OC)ccc3C2=O)cc1 ZINC000863271259 1010153274 /nfs/dbraw/zinc/15/32/74/1010153274.db2.gz ZCZJAQXPRVOBSY-UHFFFAOYSA-N 1 2 369.465 2.685 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)CN2Cc3cc(OC)ccc3C2=O)cc1 ZINC000863271259 1010153278 /nfs/dbraw/zinc/15/32/78/1010153278.db2.gz ZCZJAQXPRVOBSY-UHFFFAOYSA-N 1 2 369.465 2.685 20 10 FFCDLO C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(N(C)C)cc1 ZINC000773181575 1010244145 /nfs/dbraw/zinc/24/41/45/1010244145.db2.gz ZBQPJQTXLOBWJE-OAHLLOKOSA-N 1 2 355.486 2.888 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)cc1F ZINC000828036688 1032581461 /nfs/dbraw/zinc/58/14/61/1032581461.db2.gz WXDDLTWNFFCCSO-UHFFFAOYSA-N 1 2 374.460 2.942 20 10 FFCDLO O=C1C[C@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001275230280 1012111838 /nfs/dbraw/zinc/11/18/38/1012111838.db2.gz YDFPIAUIMVJVNY-KRWDZBQOSA-N 1 2 360.351 2.893 20 10 FFCDLO C/C(=C/C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C[NH+]1CCOCC1 ZINC000900028185 1020147382 /nfs/dbraw/zinc/14/73/82/1020147382.db2.gz GBUVIGOQZJEDBO-MNDPQUGUSA-N 1 2 371.525 2.914 20 10 FFCDLO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CC[NH2+]CC1(F)F ZINC001218006567 1032946524 /nfs/dbraw/zinc/94/65/24/1032946524.db2.gz LSQAAXNPZYYKAM-CQSZACIVSA-N 1 2 359.328 2.544 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCOC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000749839800 1021052685 /nfs/dbraw/zinc/05/26/85/1021052685.db2.gz FYBYMOJZZNUHSK-INIZCTEOSA-N 1 2 356.422 2.726 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)[C@H]2CCOC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000749839800 1021052690 /nfs/dbraw/zinc/05/26/90/1021052690.db2.gz FYBYMOJZZNUHSK-INIZCTEOSA-N 1 2 356.422 2.726 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000750745942 1022463804 /nfs/dbraw/zinc/46/38/04/1022463804.db2.gz GKUNIBDKFWJZRC-KRWDZBQOSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000750745942 1022463810 /nfs/dbraw/zinc/46/38/10/1022463810.db2.gz GKUNIBDKFWJZRC-KRWDZBQOSA-N 1 2 355.482 2.853 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NCC[N@@H+]3CCO[C@H](C)C3)c2C)cc1 ZINC000750745653 1022463937 /nfs/dbraw/zinc/46/39/37/1022463937.db2.gz CXMPCHKKYFMALT-MRXNPFEDSA-N 1 2 371.481 2.553 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NCC[N@H+]3CCO[C@H](C)C3)c2C)cc1 ZINC000750745653 1022463943 /nfs/dbraw/zinc/46/39/43/1022463943.db2.gz CXMPCHKKYFMALT-MRXNPFEDSA-N 1 2 371.481 2.553 20 10 FFCDLO COc1ccc(N2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1F ZINC000753892629 1023394385 /nfs/dbraw/zinc/39/43/85/1023394385.db2.gz XKKWNMZHLKNEJU-UHFFFAOYSA-N 1 2 369.400 2.836 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000078511344 1023862532 /nfs/dbraw/zinc/86/25/32/1023862532.db2.gz CAMGNSURHDEVJA-ROUUACIJSA-N 1 2 355.482 2.933 20 10 FFCDLO COC(=O)c1ccc(CN2CC[NH+](Cc3c(O)cccc3F)CC2)cc1 ZINC001137837627 1033179631 /nfs/dbraw/zinc/17/96/31/1033179631.db2.gz OFEOGGJDMPFXMB-UHFFFAOYSA-N 1 2 358.413 2.636 20 10 FFCDLO Cc1cc(C)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C)[nH+]1 ZINC000839460265 1026685945 /nfs/dbraw/zinc/68/59/45/1026685945.db2.gz FCFZJKKPECNCCR-UHFFFAOYSA-N 1 2 366.465 2.862 20 10 FFCDLO O=C(C[N@@H+]1CC[C@H](O)[C@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839664520 1026781739 /nfs/dbraw/zinc/78/17/39/1026781739.db2.gz AXBXMPMPMCRMLE-KXBFYZLASA-N 1 2 368.437 2.716 20 10 FFCDLO O=C(C[N@H+]1CC[C@H](O)[C@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839664520 1026781748 /nfs/dbraw/zinc/78/17/48/1026781748.db2.gz AXBXMPMPMCRMLE-KXBFYZLASA-N 1 2 368.437 2.716 20 10 FFCDLO Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c(N(C)C)[nH+]1 ZINC000782591183 1029755900 /nfs/dbraw/zinc/75/59/00/1029755900.db2.gz JZQIYIYBUSUFBN-UHFFFAOYSA-N 1 2 355.442 2.953 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccoc3C3CC3)CC2)cc1 ZINC000798940524 1031588247 /nfs/dbraw/zinc/58/82/47/1031588247.db2.gz SUBWSUVHDIASSK-UHFFFAOYSA-N 1 2 369.465 2.718 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001138127408 1033808325 /nfs/dbraw/zinc/80/83/25/1033808325.db2.gz ZYWYJHDAOHUDDF-JCGIZDLHSA-N 1 2 358.413 2.985 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001138127408 1033808337 /nfs/dbraw/zinc/80/83/37/1033808337.db2.gz ZYWYJHDAOHUDDF-JCGIZDLHSA-N 1 2 358.413 2.985 20 10 FFCDLO Oc1c(F)cccc1C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001138129490 1033816237 /nfs/dbraw/zinc/81/62/37/1033816237.db2.gz GUNPUSFMWYLNRC-UHFFFAOYSA-N 1 2 356.323 2.662 20 10 FFCDLO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001277099365 1034529888 /nfs/dbraw/zinc/52/98/88/1034529888.db2.gz ZVEZKKNXRGOOMU-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(F)c1F ZINC001277099365 1034529898 /nfs/dbraw/zinc/52/98/98/1034529898.db2.gz ZVEZKKNXRGOOMU-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO CCO[C@@H]1C[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)[C@@H]2CCCO[C@H]12 ZINC001139125562 1034954547 /nfs/dbraw/zinc/95/45/47/1034954547.db2.gz GRDLUCFMKVBUOS-MDYRTPRTSA-N 1 2 359.422 2.575 20 10 FFCDLO CCO[C@@H]1C[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)[C@@H]2CCCO[C@H]12 ZINC001139125562 1034954549 /nfs/dbraw/zinc/95/45/49/1034954549.db2.gz GRDLUCFMKVBUOS-MDYRTPRTSA-N 1 2 359.422 2.575 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(Oc2cnccn2)CC1 ZINC001139130429 1034961300 /nfs/dbraw/zinc/96/13/00/1034961300.db2.gz DUHGOAGPDTYQSQ-UHFFFAOYSA-N 1 2 367.405 2.640 20 10 FFCDLO CCC(=O)N(C)C1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139133627 1034962335 /nfs/dbraw/zinc/96/23/35/1034962335.db2.gz JSVDENMNIFYVQZ-UHFFFAOYSA-N 1 2 358.438 2.640 20 10 FFCDLO O=C(Cc1ccsc1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464666 1035485648 /nfs/dbraw/zinc/48/56/48/1035485648.db2.gz ZGQJUODUVIGYQX-UHFFFAOYSA-N 1 2 350.871 2.994 20 10 FFCDLO CCO[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)[C@H]1Cc1cnn(C)c1 ZINC001140581086 1035660908 /nfs/dbraw/zinc/66/09/08/1035660908.db2.gz PQXZYMBMVYSXIM-WMZOPIPTSA-N 1 2 351.397 2.626 20 10 FFCDLO CCO[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)[C@H]1Cc1cnn(C)c1 ZINC001140581086 1035660914 /nfs/dbraw/zinc/66/09/14/1035660914.db2.gz PQXZYMBMVYSXIM-WMZOPIPTSA-N 1 2 351.397 2.626 20 10 FFCDLO O=C(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140581406 1035661303 /nfs/dbraw/zinc/66/13/03/1035661303.db2.gz RQSNKVKNJFAAKA-GASCZTMLSA-N 1 2 358.388 2.874 20 10 FFCDLO O=C(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140581406 1035661310 /nfs/dbraw/zinc/66/13/10/1035661310.db2.gz RQSNKVKNJFAAKA-GASCZTMLSA-N 1 2 358.388 2.874 20 10 FFCDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(OCC)cc3)CC2)[nH]1 ZINC001140689459 1035899175 /nfs/dbraw/zinc/89/91/75/1035899175.db2.gz AAVABEREGWTHJG-UHFFFAOYSA-N 1 2 357.454 2.912 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(CC3CC3)c21 ZINC001140744410 1036032673 /nfs/dbraw/zinc/03/26/73/1036032673.db2.gz WPJXVJBPNQLQEW-MRXNPFEDSA-N 1 2 372.469 2.544 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)Cc2nnn(CC3CC3)c21 ZINC001140744410 1036032680 /nfs/dbraw/zinc/03/26/80/1036032680.db2.gz WPJXVJBPNQLQEW-MRXNPFEDSA-N 1 2 372.469 2.544 20 10 FFCDLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010012 1036242531 /nfs/dbraw/zinc/24/25/31/1036242531.db2.gz HFHYWUZOMLHUSY-GFCCVEGCSA-N 1 2 352.431 2.635 20 10 FFCDLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010012 1036242546 /nfs/dbraw/zinc/24/25/46/1036242546.db2.gz HFHYWUZOMLHUSY-GFCCVEGCSA-N 1 2 352.431 2.635 20 10 FFCDLO CCN(Cc1cc(O)c(O)c(O)c1)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233016142 1036251455 /nfs/dbraw/zinc/25/14/55/1036251455.db2.gz NWMWDJGRFMLVJZ-SFHVURJKSA-N 1 2 372.465 2.526 20 10 FFCDLO CCN(Cc1cc(O)c(O)c(O)c1)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233016142 1036251467 /nfs/dbraw/zinc/25/14/67/1036251467.db2.gz NWMWDJGRFMLVJZ-SFHVURJKSA-N 1 2 372.465 2.526 20 10 FFCDLO Oc1cc(Br)cc(F)c1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001233031615 1036271739 /nfs/dbraw/zinc/27/17/39/1036271739.db2.gz IOSYFPVAYCQMOT-UHFFFAOYSA-N 1 2 361.230 2.912 20 10 FFCDLO CC(C)[N@@H+]1CC[C@@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229196991 1036547484 /nfs/dbraw/zinc/54/74/84/1036547484.db2.gz LBRVJYRHSMETAF-GFCCVEGCSA-N 1 2 367.401 2.735 20 10 FFCDLO CC(C)[N@H+]1CC[C@@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229196991 1036547491 /nfs/dbraw/zinc/54/74/91/1036547491.db2.gz LBRVJYRHSMETAF-GFCCVEGCSA-N 1 2 367.401 2.735 20 10 FFCDLO CCOCCN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277386835 1036669302 /nfs/dbraw/zinc/66/93/02/1036669302.db2.gz CONQLAVDNJWTLT-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO CCOCCN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277386835 1036669305 /nfs/dbraw/zinc/66/93/05/1036669305.db2.gz CONQLAVDNJWTLT-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO COc1ccc(C[NH+]2CCN(Cc3c(O)cc(OC)cc3OC)CC2)cc1 ZINC001141028523 1036767681 /nfs/dbraw/zinc/76/76/81/1036767681.db2.gz RYQWZJYBELMFSQ-UHFFFAOYSA-N 1 2 372.465 2.736 20 10 FFCDLO CC[NH+]1CCC(Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)CC1 ZINC001234749727 1037167546 /nfs/dbraw/zinc/16/75/46/1037167546.db2.gz VQJNEYKZKDDMAB-UHFFFAOYSA-N 1 2 371.389 2.926 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001235056789 1037330608 /nfs/dbraw/zinc/33/06/08/1037330608.db2.gz FWIWABXEBPRVCO-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001235057052 1037330930 /nfs/dbraw/zinc/33/09/30/1037330930.db2.gz LJASIOGYMSKJFW-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO O=C1CCC[C@@]2(CCC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)N1 ZINC001235062821 1037333697 /nfs/dbraw/zinc/33/36/97/1037333697.db2.gz YZTDNXIOQIMKGN-INIZCTEOSA-N 1 2 371.250 2.929 20 10 FFCDLO O=C1CCC[C@@]2(CCC[N@H+](Cc3cc(Br)cc(F)c3O)C2)N1 ZINC001235062821 1037333714 /nfs/dbraw/zinc/33/37/14/1037333714.db2.gz YZTDNXIOQIMKGN-INIZCTEOSA-N 1 2 371.250 2.929 20 10 FFCDLO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235302361 1037462358 /nfs/dbraw/zinc/46/23/58/1037462358.db2.gz PKNACSFTLDCIFU-JTQLQIEISA-N 1 2 359.239 2.594 20 10 FFCDLO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235302361 1037462364 /nfs/dbraw/zinc/46/23/64/1037462364.db2.gz PKNACSFTLDCIFU-JTQLQIEISA-N 1 2 359.239 2.594 20 10 FFCDLO COc1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(O)cc1O ZINC001231634230 1037756182 /nfs/dbraw/zinc/75/61/82/1037756182.db2.gz JQDIZHSQAOICHV-VMPITWQZSA-N 1 2 354.450 2.937 20 10 FFCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(c2nccnc2Cl)CC1 ZINC001231848685 1037946144 /nfs/dbraw/zinc/94/61/44/1037946144.db2.gz JZBJNONDIIFFGG-UHFFFAOYSA-N 1 2 361.877 2.527 20 10 FFCDLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(N(C)C)cc1OC)C[C@H]2COC ZINC001231851705 1037947649 /nfs/dbraw/zinc/94/76/49/1037947649.db2.gz MGOSMTPAFGRYMN-INIZCTEOSA-N 1 2 358.486 2.723 20 10 FFCDLO CCn1cc2c(n1)C[N@H+](Cc1ccc(N(C)C)cc1OC)C[C@H]2COC ZINC001231851705 1037947666 /nfs/dbraw/zinc/94/76/66/1037947666.db2.gz MGOSMTPAFGRYMN-INIZCTEOSA-N 1 2 358.486 2.723 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231909813 1038000798 /nfs/dbraw/zinc/00/07/98/1038000798.db2.gz QCCGGTCUHNXZJD-OLZOCXBDSA-N 1 2 356.850 2.506 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231909813 1038000822 /nfs/dbraw/zinc/00/08/22/1038000822.db2.gz QCCGGTCUHNXZJD-OLZOCXBDSA-N 1 2 356.850 2.506 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC12COC2 ZINC001231913233 1038010217 /nfs/dbraw/zinc/01/02/17/1038010217.db2.gz IYMVGUDQQLSFMS-CQSZACIVSA-N 1 2 368.861 2.771 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC12COC2 ZINC001231913233 1038010238 /nfs/dbraw/zinc/01/02/38/1038010238.db2.gz IYMVGUDQQLSFMS-CQSZACIVSA-N 1 2 368.861 2.771 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC3(CCN3Cc3ccccc3)C2)cc1OC ZINC001236752222 1038237973 /nfs/dbraw/zinc/23/79/73/1038237973.db2.gz NIDUXXOILODRPN-UHFFFAOYSA-N 1 2 354.450 2.870 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2c(O)cc(OC)cc2Cl)Cc2c1cnn2C ZINC001236794506 1038274496 /nfs/dbraw/zinc/27/44/96/1038274496.db2.gz AILOPVGSJKDCJQ-GFCCVEGCSA-N 1 2 365.861 2.924 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cc(OC)cc2Cl)Cc2c1cnn2C ZINC001236794506 1038274506 /nfs/dbraw/zinc/27/45/06/1038274506.db2.gz AILOPVGSJKDCJQ-GFCCVEGCSA-N 1 2 365.861 2.924 20 10 FFCDLO COc1ccc(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c(O)c1Cl ZINC001236803304 1038280119 /nfs/dbraw/zinc/28/01/19/1038280119.db2.gz ZATYKYQGHHPNAX-UHFFFAOYSA-N 1 2 352.862 2.889 20 10 FFCDLO Cc1ncsc1C[NH+]1CC2(CN(Cc3c(O)ccc(F)c3F)C2)C1 ZINC001279488316 1043173330 /nfs/dbraw/zinc/17/33/30/1043173330.db2.gz HRRGVTKGXYCFNB-UHFFFAOYSA-N 1 2 351.422 2.753 20 10 FFCDLO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]2C1 ZINC001237801944 1043365354 /nfs/dbraw/zinc/36/53/54/1043365354.db2.gz XTENGTOEHSXEMI-CNDDSTCGSA-N 1 2 352.837 2.921 20 10 FFCDLO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@H]2C1 ZINC001237801944 1043365361 /nfs/dbraw/zinc/36/53/61/1043365361.db2.gz XTENGTOEHSXEMI-CNDDSTCGSA-N 1 2 352.837 2.921 20 10 FFCDLO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)n1 ZINC001237801291 1043365981 /nfs/dbraw/zinc/36/59/81/1043365981.db2.gz HBXGUGQNQVBFNA-GFCCVEGCSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)n1 ZINC001237801291 1043365988 /nfs/dbraw/zinc/36/59/88/1043365988.db2.gz HBXGUGQNQVBFNA-GFCCVEGCSA-N 1 2 353.781 2.637 20 10 FFCDLO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4cc(F)c(Cl)cc4O)C[C@H]3O2)n1 ZINC001237936529 1043444577 /nfs/dbraw/zinc/44/45/77/1043444577.db2.gz JBPPSWRBCQAEFR-HWWQOWPSSA-N 1 2 367.808 2.708 20 10 FFCDLO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4cc(F)c(Cl)cc4O)C[C@H]3O2)n1 ZINC001237936529 1043444585 /nfs/dbraw/zinc/44/45/85/1043444585.db2.gz JBPPSWRBCQAEFR-HWWQOWPSSA-N 1 2 367.808 2.708 20 10 FFCDLO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237944432 1043448888 /nfs/dbraw/zinc/44/88/88/1043448888.db2.gz UBDPNBWLQKWUKB-ZDUSSCGKSA-N 1 2 358.841 2.644 20 10 FFCDLO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237944432 1043448901 /nfs/dbraw/zinc/44/89/01/1043448901.db2.gz UBDPNBWLQKWUKB-ZDUSSCGKSA-N 1 2 358.841 2.644 20 10 FFCDLO CCN(C(=O)c1noc2c1C[N@H+](Cc1ccc(O)cc1O)CC2)C(C)C ZINC001279845011 1043763251 /nfs/dbraw/zinc/76/32/51/1043763251.db2.gz BFWJQAIVXUTXQR-UHFFFAOYSA-N 1 2 359.426 2.515 20 10 FFCDLO CCN(C(=O)c1noc2c1C[N@@H+](Cc1ccc(O)cc1O)CC2)C(C)C ZINC001279845011 1043763259 /nfs/dbraw/zinc/76/32/59/1043763259.db2.gz BFWJQAIVXUTXQR-UHFFFAOYSA-N 1 2 359.426 2.515 20 10 FFCDLO Cc1ccc(C[NH+]2CC3(C2)CC[C@H](C(=O)N2CCCC24CC4)O3)c(O)c1 ZINC001280047128 1044134162 /nfs/dbraw/zinc/13/41/62/1044134162.db2.gz YUVOREXBSQMHFR-GOSISDBHSA-N 1 2 356.466 2.589 20 10 FFCDLO COC(=O)/C=C/c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000728566507 1046431698 /nfs/dbraw/zinc/43/16/98/1046431698.db2.gz HNAZMNMCLPGJIL-ZKKXHLJNSA-N 1 2 356.382 2.819 20 10 FFCDLO C[NH+]1CCN(c2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2F)CC1 ZINC001327212634 1047236245 /nfs/dbraw/zinc/23/62/45/1047236245.db2.gz HKDNYWPPRRLCAN-UHFFFAOYSA-N 1 2 360.521 2.684 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC001327635048 1047975711 /nfs/dbraw/zinc/97/57/11/1047975711.db2.gz PTDDYIAJJUBFSP-UHFFFAOYSA-N 1 2 365.477 2.622 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC001327635048 1047975727 /nfs/dbraw/zinc/97/57/27/1047975727.db2.gz PTDDYIAJJUBFSP-UHFFFAOYSA-N 1 2 365.477 2.622 20 10 FFCDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC001308698767 1052488410 /nfs/dbraw/zinc/48/84/10/1052488410.db2.gz ZCHZAMYYWIVADX-MRXNPFEDSA-N 1 2 355.276 2.954 20 10 FFCDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC001308698767 1052488413 /nfs/dbraw/zinc/48/84/13/1052488413.db2.gz ZCHZAMYYWIVADX-MRXNPFEDSA-N 1 2 355.276 2.954 20 10 FFCDLO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1)C(F)(F)F ZINC001308793473 1052499704 /nfs/dbraw/zinc/49/97/04/1052499704.db2.gz ALAOFLRESHMBAC-SNVBAGLBSA-N 1 2 350.768 2.936 20 10 FFCDLO O=C1Nc2ccccc2C[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC001461689270 1061380448 /nfs/dbraw/zinc/38/04/48/1061380448.db2.gz YIOGWSFCKGXVAT-AWEZNQCLSA-N 1 2 365.202 2.947 20 10 FFCDLO COc1ccc(CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c(O)c1 ZINC001467471193 1063755533 /nfs/dbraw/zinc/75/55/33/1063755533.db2.gz VERNEZPTCQMESC-UHFFFAOYSA-N 1 2 366.421 2.639 20 10 FFCDLO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589960052 1080904272 /nfs/dbraw/zinc/90/42/72/1080904272.db2.gz ZNDOCSMRDBGWOD-ZMZPIMSZSA-N 1 2 373.844 2.784 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589962600 1080906273 /nfs/dbraw/zinc/90/62/73/1080906273.db2.gz HRMNHKHMAMOYHL-HUUCEWRRSA-N 1 2 364.453 2.749 20 10 FFCDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCCNc1cccc[nH+]1 ZINC000136190885 508677315 /nfs/dbraw/zinc/67/73/15/508677315.db2.gz CVLYEVOSJMAWJN-JXMROGBWSA-N 1 2 366.465 2.550 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000186054965 509500523 /nfs/dbraw/zinc/50/05/23/509500523.db2.gz AJXZYXCQOVMNTH-ZANVPECISA-N 1 2 369.252 2.889 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1O ZINC000186167209 509557454 /nfs/dbraw/zinc/55/74/54/509557454.db2.gz CFMZMILFCGIIAW-UWVGGRQHSA-N 1 2 367.298 2.631 20 10 FFCDLO COc1ccc(C(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1OC ZINC000179908182 509669502 /nfs/dbraw/zinc/66/95/02/509669502.db2.gz XJWKZFRWRVZSBJ-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO Oc1ccccc1C[N@@H+](Cc1nnc2n1CCCCC2)C[C@@H]1CCCO1 ZINC000264760831 509688640 /nfs/dbraw/zinc/68/86/40/509688640.db2.gz YWRJNXRBPSWDNJ-KRWDZBQOSA-N 1 2 356.470 2.891 20 10 FFCDLO Oc1ccccc1C[N@H+](Cc1nnc2n1CCCCC2)C[C@@H]1CCCO1 ZINC000264760831 509688649 /nfs/dbraw/zinc/68/86/49/509688649.db2.gz YWRJNXRBPSWDNJ-KRWDZBQOSA-N 1 2 356.470 2.891 20 10 FFCDLO Cc1cc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c(C)n1-c1ccccn1 ZINC000194657239 510468341 /nfs/dbraw/zinc/46/83/41/510468341.db2.gz IPPCMMOLKBDBNO-UHFFFAOYSA-N 1 2 372.432 3.000 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000278777560 511006323 /nfs/dbraw/zinc/00/63/23/511006323.db2.gz VIISOVHKECKEBV-CYBMUJFWSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000278777560 511006326 /nfs/dbraw/zinc/00/63/26/511006326.db2.gz VIISOVHKECKEBV-CYBMUJFWSA-N 1 2 362.289 2.554 20 10 FFCDLO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2O)NC(=O)NC1=O ZINC000289953987 511122250 /nfs/dbraw/zinc/12/22/50/511122250.db2.gz YWRUTGYCSKUVCN-MEDUHNTESA-N 1 2 372.252 2.652 20 10 FFCDLO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2O)NC(=O)NC1=O ZINC000289953987 511122255 /nfs/dbraw/zinc/12/22/55/511122255.db2.gz YWRUTGYCSKUVCN-MEDUHNTESA-N 1 2 372.252 2.652 20 10 FFCDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O ZINC000362376894 511182166 /nfs/dbraw/zinc/18/21/66/511182166.db2.gz SQOIGVRXXCYLJP-SFHVURJKSA-N 1 2 370.840 2.675 20 10 FFCDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000362738269 511228765 /nfs/dbraw/zinc/22/87/65/511228765.db2.gz TVRUCRSBTPJNNB-KRWDZBQOSA-N 1 2 353.470 2.502 20 10 FFCDLO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273477871 511527636 /nfs/dbraw/zinc/52/76/36/511527636.db2.gz LHYKOBMEPLUSNB-GFCCVEGCSA-N 1 2 359.382 2.988 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273464394 511527846 /nfs/dbraw/zinc/52/78/46/511527846.db2.gz IOVBNAYGSIFJDL-CXAGYDPISA-N 1 2 355.394 2.752 20 10 FFCDLO Cc1cccc([C@@H](CNC(=O)NCc2ccccc2O)[NH+]2CCOCC2)c1 ZINC000299546732 511663037 /nfs/dbraw/zinc/66/30/37/511663037.db2.gz WQSDIEGRHQAILB-LJQANCHMSA-N 1 2 369.465 2.573 20 10 FFCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000274908508 511984327 /nfs/dbraw/zinc/98/43/27/511984327.db2.gz JDRURKKLKYKAKJ-MRXNPFEDSA-N 1 2 366.458 2.516 20 10 FFCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000274908508 511984333 /nfs/dbraw/zinc/98/43/33/511984333.db2.gz JDRURKKLKYKAKJ-MRXNPFEDSA-N 1 2 366.458 2.516 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)cc2)CC1 ZINC000372728680 513019168 /nfs/dbraw/zinc/01/91/68/513019168.db2.gz SFLSBAHGDXIJEZ-SFHVURJKSA-N 1 2 352.482 2.998 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CCO1 ZINC000530106805 517569677 /nfs/dbraw/zinc/56/96/77/517569677.db2.gz OJLRGNRDGTVGFL-MRXNPFEDSA-N 1 2 371.433 2.566 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CCO1 ZINC000530106805 517569685 /nfs/dbraw/zinc/56/96/85/517569685.db2.gz OJLRGNRDGTVGFL-MRXNPFEDSA-N 1 2 371.433 2.566 20 10 FFCDLO O=C(CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1)Nc1ccccc1 ZINC000124708553 728673392 /nfs/dbraw/zinc/67/33/92/728673392.db2.gz GBBWNIVZFPPENO-UHFFFAOYSA-N 1 2 359.857 2.802 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)c(F)cc1O ZINC000927147850 738696727 /nfs/dbraw/zinc/69/67/27/738696727.db2.gz TYFDXLDWQHYSSI-IUCAKERBSA-N 1 2 369.238 2.630 20 10 FFCDLO CS(=O)(=O)CCCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883092635 733331791 /nfs/dbraw/zinc/33/17/91/733331791.db2.gz VHOSBZFUOWNUQE-UHFFFAOYSA-N 1 2 368.268 2.598 20 10 FFCDLO CO[C@@]1(C[NH2+]Cc2cc(Cl)cc(Br)c2O)CCOC1 ZINC000708111476 734362619 /nfs/dbraw/zinc/36/26/19/734362619.db2.gz SAMDTJRTTBMVIH-CYBMUJFWSA-N 1 2 350.640 2.703 20 10 FFCDLO CN(C)C(=O)CC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894433677 734857897 /nfs/dbraw/zinc/85/78/97/734857897.db2.gz YDRPYKPSRXHOMG-UHFFFAOYSA-N 1 2 373.266 2.984 20 10 FFCDLO COC(=O)NC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000895358875 734995259 /nfs/dbraw/zinc/99/52/59/734995259.db2.gz FLTPYYNGEQZOFO-UHFFFAOYSA-N 1 2 361.211 2.614 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)CC1CCCC1 ZINC000789348140 739340776 /nfs/dbraw/zinc/34/07/76/739340776.db2.gz LJONLXLBYSNWMY-MRXNPFEDSA-N 1 2 355.862 2.962 20 10 FFCDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000788270260 739226124 /nfs/dbraw/zinc/22/61/24/739226124.db2.gz QTAHOWZKDSDAGT-GMSGAONNSA-N 1 2 365.065 2.872 20 10 FFCDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000788270260 739226125 /nfs/dbraw/zinc/22/61/25/739226125.db2.gz QTAHOWZKDSDAGT-GMSGAONNSA-N 1 2 365.065 2.872 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(F)cc(F)c1O ZINC000903433769 736093501 /nfs/dbraw/zinc/09/35/01/736093501.db2.gz FBERZJAYGCZPIB-SCZZXKLOSA-N 1 2 370.787 2.749 20 10 FFCDLO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)cc(F)c1O ZINC000756535135 736339870 /nfs/dbraw/zinc/33/98/70/736339870.db2.gz OTEPFMNRANBRSA-MNOVXSKESA-N 1 2 361.255 2.665 20 10 FFCDLO CCc1nncn1CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756620576 736347778 /nfs/dbraw/zinc/34/77/78/736347778.db2.gz KWTLBSFWKOCSKX-VIFPVBQESA-N 1 2 357.227 2.799 20 10 FFCDLO CCC1(CC)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@@]1=O ZINC000769558951 737541893 /nfs/dbraw/zinc/54/18/93/737541893.db2.gz YVKLYTNKPFNOGF-VWLOTQADSA-N 1 2 368.518 2.785 20 10 FFCDLO CCC1(CC)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@@]1=O ZINC000769558951 737541895 /nfs/dbraw/zinc/54/18/95/737541895.db2.gz YVKLYTNKPFNOGF-VWLOTQADSA-N 1 2 368.518 2.785 20 10 FFCDLO COc1c(O)c(CNCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974942 738046877 /nfs/dbraw/zinc/04/68/77/738046877.db2.gz MMQYUASMYMNPLE-CYBMUJFWSA-N 1 2 351.447 2.909 20 10 FFCDLO COc1c(O)c(CNCC(C)(C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974942 738046880 /nfs/dbraw/zinc/04/68/80/738046880.db2.gz MMQYUASMYMNPLE-CYBMUJFWSA-N 1 2 351.447 2.909 20 10 FFCDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C1CCOCC1 ZINC000789579253 739369896 /nfs/dbraw/zinc/36/98/96/739369896.db2.gz GDWHNZMUBWIBAE-HNNXBMFYSA-N 1 2 357.834 2.502 20 10 FFCDLO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809706202 741334055 /nfs/dbraw/zinc/33/40/55/741334055.db2.gz PWSLUUWVVMVTDA-UHFFFAOYSA-N 1 2 362.788 2.961 20 10 FFCDLO COC[C@@]1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CCC[NH2+]1 ZINC000817973072 742225243 /nfs/dbraw/zinc/22/52/43/742225243.db2.gz BNXRSDQAKUJWHR-BMIGLBTASA-N 1 2 361.255 2.713 20 10 FFCDLO CCn1nc(C)c(CN[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000823855380 742990989 /nfs/dbraw/zinc/99/09/89/742990989.db2.gz QOIOHOFSKGNAGK-INIZCTEOSA-N 1 2 363.893 2.720 20 10 FFCDLO CCn1nc(C)c(CN[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000823855380 742990995 /nfs/dbraw/zinc/99/09/95/742990995.db2.gz QOIOHOFSKGNAGK-INIZCTEOSA-N 1 2 363.893 2.720 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825650895 743306449 /nfs/dbraw/zinc/30/64/49/743306449.db2.gz AMRRVONPBRHLIS-ZBINZKHDSA-N 1 2 354.244 2.928 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Br)cc1O ZINC000825650895 743306457 /nfs/dbraw/zinc/30/64/57/743306457.db2.gz AMRRVONPBRHLIS-ZBINZKHDSA-N 1 2 354.244 2.928 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000830579095 745387237 /nfs/dbraw/zinc/38/72/37/745387237.db2.gz TZMQESQVBLHOFQ-AWEZNQCLSA-N 1 2 354.834 2.911 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000830579095 745387242 /nfs/dbraw/zinc/38/72/42/745387242.db2.gz TZMQESQVBLHOFQ-AWEZNQCLSA-N 1 2 354.834 2.911 20 10 FFCDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000840718974 747166019 /nfs/dbraw/zinc/16/60/19/747166019.db2.gz PSRJLYYPVOSRQD-CYBMUJFWSA-N 1 2 361.467 2.617 20 10 FFCDLO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cc(F)cc(F)c1O ZINC000840799862 747186659 /nfs/dbraw/zinc/18/66/59/747186659.db2.gz XLUCCPNKLMDAAB-NHYWBVRUSA-N 1 2 357.397 2.737 20 10 FFCDLO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(Br)cc(F)c1O ZINC000840885430 747212401 /nfs/dbraw/zinc/21/24/01/747212401.db2.gz WGGHAZWJNGKBFP-QMMMGPOBSA-N 1 2 366.252 2.522 20 10 FFCDLO Cc1sccc1/C=C1\SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000841496537 747369724 /nfs/dbraw/zinc/36/97/24/747369724.db2.gz PULMBRQSCUSTCW-KAMYIIQDSA-N 1 2 368.549 2.980 20 10 FFCDLO CC(C)n1ccnc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000850323243 749342564 /nfs/dbraw/zinc/34/25/64/749342564.db2.gz PGFLXIDXWPEXCB-UHFFFAOYSA-N 1 2 350.413 2.869 20 10 FFCDLO CC(C)(C)C(=O)CN1CC[C@]2(CCC[N@@H+]2Cc2c(O)cccc2F)C1=O ZINC001276031224 1013297836 /nfs/dbraw/zinc/29/78/36/1013297836.db2.gz FZPCOSGKMVDVFU-HXUWFJFHSA-N 1 2 362.445 2.713 20 10 FFCDLO CC(C)(C)C(=O)CN1CC[C@]2(CCC[N@H+]2Cc2c(O)cccc2F)C1=O ZINC001276031224 1013297840 /nfs/dbraw/zinc/29/78/40/1013297840.db2.gz FZPCOSGKMVDVFU-HXUWFJFHSA-N 1 2 362.445 2.713 20 10 FFCDLO CC(C)(C)C(=O)CN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2O)C1=O ZINC001276087251 1013436459 /nfs/dbraw/zinc/43/64/59/1013436459.db2.gz ZJDAOEZYYAWCMR-FQEVSTJZSA-N 1 2 362.445 2.713 20 10 FFCDLO CC(C)(C)C(=O)CN1CC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2O)C1=O ZINC001276087251 1013436466 /nfs/dbraw/zinc/43/64/66/1013436466.db2.gz ZJDAOEZYYAWCMR-FQEVSTJZSA-N 1 2 362.445 2.713 20 10 FFCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000188810498 964006583 /nfs/dbraw/zinc/00/65/83/964006583.db2.gz IHYFMDKDDLRXJT-IBGZPJMESA-N 1 2 356.470 2.616 20 10 FFCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000188810498 964006593 /nfs/dbraw/zinc/00/65/93/964006593.db2.gz IHYFMDKDDLRXJT-IBGZPJMESA-N 1 2 356.470 2.616 20 10 FFCDLO CC[C@H](CO)Nc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000892024816 965828993 /nfs/dbraw/zinc/82/89/93/965828993.db2.gz GPWGNCTYJSTXKO-DOTOQJQBSA-N 1 2 371.485 2.669 20 10 FFCDLO CC[C@H](CO)Nc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH+]cn1 ZINC000892024816 965829001 /nfs/dbraw/zinc/82/90/01/965829001.db2.gz GPWGNCTYJSTXKO-DOTOQJQBSA-N 1 2 371.485 2.669 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000179073621 974083627 /nfs/dbraw/zinc/08/36/27/974083627.db2.gz XBVOKFDCRQOLRS-UHFFFAOYSA-N 1 2 355.457 2.908 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000179073621 974083636 /nfs/dbraw/zinc/08/36/36/974083636.db2.gz XBVOKFDCRQOLRS-UHFFFAOYSA-N 1 2 355.457 2.908 20 10 FFCDLO CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)[nH]c(=O)c1 ZINC001271799716 974343738 /nfs/dbraw/zinc/34/37/38/974343738.db2.gz XTJWKYUMNSUKRD-BHYGNILZSA-N 1 2 361.486 2.998 20 10 FFCDLO CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)[nH]c(=O)c1 ZINC001271799716 974343743 /nfs/dbraw/zinc/34/37/43/974343743.db2.gz XTJWKYUMNSUKRD-BHYGNILZSA-N 1 2 361.486 2.998 20 10 FFCDLO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1O)N1CCCC1 ZINC000876998437 1014444902 /nfs/dbraw/zinc/44/49/02/1014444902.db2.gz HBMFJIGEMXMSQT-QGZVFWFLSA-N 1 2 360.404 2.994 20 10 FFCDLO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3O)C2=O)cc1 ZINC000877041074 1014460799 /nfs/dbraw/zinc/46/07/99/1014460799.db2.gz UPZXQFIXSINERS-INIZCTEOSA-N 1 2 362.376 2.570 20 10 FFCDLO c1cnc(CC[NH+]2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cn1 ZINC000877703461 1014693541 /nfs/dbraw/zinc/69/35/41/1014693541.db2.gz KOPWORRZAPJXBB-UHFFFAOYSA-N 1 2 365.525 2.827 20 10 FFCDLO Cc1cc(CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c(C)n1-c1ccccc1 ZINC000913456411 984269615 /nfs/dbraw/zinc/26/96/15/984269615.db2.gz PIDAUFMKKMYUOF-HXUWFJFHSA-N 1 2 363.465 2.533 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)c2C)cc1 ZINC000914879868 988026018 /nfs/dbraw/zinc/02/60/18/988026018.db2.gz VAAFOVXBSDXRHT-MRXNPFEDSA-N 1 2 371.481 2.553 20 10 FFCDLO Cc1cc(CCNC(=O)NCc2c[nH+]cn2C)c(C)n1-c1ccccc1 ZINC000811924963 995290438 /nfs/dbraw/zinc/29/04/38/995290438.db2.gz UCCISZLQWLRSEL-UHFFFAOYSA-N 1 2 351.454 2.870 20 10 FFCDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000812786971 995533680 /nfs/dbraw/zinc/53/36/80/995533680.db2.gz XBLUQLXIODJTOH-KRWDZBQOSA-N 1 2 363.458 2.822 20 10 FFCDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000812786971 995533691 /nfs/dbraw/zinc/53/36/91/995533691.db2.gz XBLUQLXIODJTOH-KRWDZBQOSA-N 1 2 363.458 2.822 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc4cc(C)ccn34)CC2)c(OC)c1 ZINC001136892585 996976150 /nfs/dbraw/zinc/97/61/50/996976150.db2.gz LCYHUICZHKUSDZ-UHFFFAOYSA-N 1 2 366.465 2.982 20 10 FFCDLO Cc1cc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nc(C2CC2)[nH+]1 ZINC000734835544 999345680 /nfs/dbraw/zinc/34/56/80/999345680.db2.gz YEBCTSURXDVZPG-UHFFFAOYSA-N 1 2 372.494 2.509 20 10 FFCDLO CCOc1ccc(O)c(CN2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000768193355 1000194402 /nfs/dbraw/zinc/19/44/02/1000194402.db2.gz MBNQFEXSYRQVOP-UHFFFAOYSA-N 1 2 356.466 2.988 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC000768445727 1000250038 /nfs/dbraw/zinc/25/00/38/1000250038.db2.gz GWPRVIBIMKLJIG-CYBMUJFWSA-N 1 2 366.458 2.851 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC000768445727 1000250045 /nfs/dbraw/zinc/25/00/45/1000250045.db2.gz GWPRVIBIMKLJIG-CYBMUJFWSA-N 1 2 366.458 2.851 20 10 FFCDLO COc1cccc(OCC[NH+]2CCN(Cc3c(O)cccc3OC)CC2)c1 ZINC000769513577 1000538446 /nfs/dbraw/zinc/53/84/46/1000538446.db2.gz BVTYBRVYYFDTAC-UHFFFAOYSA-N 1 2 372.465 2.606 20 10 FFCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000746776729 1001940808 /nfs/dbraw/zinc/94/08/08/1001940808.db2.gz WGDOHJBRBDBBFT-CQSZACIVSA-N 1 2 368.437 2.960 20 10 FFCDLO CC(C)CN1CC2(C[NH+](Cc3cccc(C(C)(C)C)c3O)C2)OCC1=O ZINC001276247308 1016613500 /nfs/dbraw/zinc/61/35/00/1016613500.db2.gz FXZNGATXVRAPBL-UHFFFAOYSA-N 1 2 360.498 2.759 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)C2)cc1 ZINC000854301506 1006767550 /nfs/dbraw/zinc/76/75/50/1006767550.db2.gz PXBNRODXBIFPLX-SJLPKXTDSA-N 1 2 369.469 2.517 20 10 FFCDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001206236791 1032196176 /nfs/dbraw/zinc/19/61/76/1032196176.db2.gz DCAJOHWWWZNQIY-HNNXBMFYSA-N 1 2 363.811 2.642 20 10 FFCDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001206236791 1032196184 /nfs/dbraw/zinc/19/61/84/1032196184.db2.gz DCAJOHWWWZNQIY-HNNXBMFYSA-N 1 2 363.811 2.642 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)ccc1C ZINC000861891834 1009606397 /nfs/dbraw/zinc/60/63/97/1009606397.db2.gz LSQBNZTWGQVIMM-GOSISDBHSA-N 1 2 362.433 2.766 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000861947307 1009637976 /nfs/dbraw/zinc/63/79/76/1009637976.db2.gz VDVXZLBAHIOGKF-UHFFFAOYSA-N 1 2 350.422 2.613 20 10 FFCDLO CN(C)c1ccc(CN2CC[C@@]3(CCC[N@@H+]3Cc3nccs3)C2=O)cc1 ZINC001275723962 1012928803 /nfs/dbraw/zinc/92/88/03/1012928803.db2.gz LCQOGUQDAVLFRT-FQEVSTJZSA-N 1 2 370.522 2.976 20 10 FFCDLO CN(C)c1ccc(CN2CC[C@@]3(CCC[N@H+]3Cc3nccs3)C2=O)cc1 ZINC001275723962 1012928818 /nfs/dbraw/zinc/92/88/18/1012928818.db2.gz LCQOGUQDAVLFRT-FQEVSTJZSA-N 1 2 370.522 2.976 20 10 FFCDLO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CC[NH2+]CC3(F)F)cccc21 ZINC001218008012 1032949958 /nfs/dbraw/zinc/94/99/58/1032949958.db2.gz UIAOCRQDRVWJFM-CQSZACIVSA-N 1 2 359.328 2.544 20 10 FFCDLO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000750010472 1021222346 /nfs/dbraw/zinc/22/23/46/1021222346.db2.gz MDGUTUMNYOIHFL-KRWDZBQOSA-N 1 2 352.394 2.774 20 10 FFCDLO Oc1ccc2ccncc2c1C[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000750010472 1021222353 /nfs/dbraw/zinc/22/23/53/1021222353.db2.gz MDGUTUMNYOIHFL-KRWDZBQOSA-N 1 2 352.394 2.774 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c1 ZINC000756866820 1023761724 /nfs/dbraw/zinc/76/17/24/1023761724.db2.gz DTCRXXFQFKUTAY-LBPRGKRZSA-N 1 2 352.394 2.815 20 10 FFCDLO C[N@@H+](Cc1c(O)cccc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001137831660 1033162017 /nfs/dbraw/zinc/16/20/17/1033162017.db2.gz JEWANIOCBVZAPS-CYBMUJFWSA-N 1 2 354.422 2.599 20 10 FFCDLO C[N@H+](Cc1c(O)cccc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001137831660 1033162024 /nfs/dbraw/zinc/16/20/24/1033162024.db2.gz JEWANIOCBVZAPS-CYBMUJFWSA-N 1 2 354.422 2.599 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000759097196 1024465356 /nfs/dbraw/zinc/46/53/56/1024465356.db2.gz LIKRSJLPLNIVGW-LJQANCHMSA-N 1 2 367.493 2.949 20 10 FFCDLO CN1CCOc2cc(C[NH+]3CCN(C(=O)c4cccc(F)c4)CC3)ccc21 ZINC001141143225 1025516567 /nfs/dbraw/zinc/51/65/67/1025516567.db2.gz PSTGDJBVHYBJGK-UHFFFAOYSA-N 1 2 369.440 2.612 20 10 FFCDLO CN1CCOc2cc(C[N@@H+]3CC[C@H](S(=O)(=O)c4ccccc4)C3)ccc21 ZINC001141143685 1025517824 /nfs/dbraw/zinc/51/78/24/1025517824.db2.gz FQNZAFFDSPZYNY-SFHVURJKSA-N 1 2 372.490 2.563 20 10 FFCDLO CN1CCOc2cc(C[N@H+]3CC[C@H](S(=O)(=O)c4ccccc4)C3)ccc21 ZINC001141143685 1025517831 /nfs/dbraw/zinc/51/78/31/1025517831.db2.gz FQNZAFFDSPZYNY-SFHVURJKSA-N 1 2 372.490 2.563 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cc(O)ccc2O)Cc2ncn(CC3CC3)c21 ZINC001141157230 1025538862 /nfs/dbraw/zinc/53/88/62/1025538862.db2.gz DRXAZZAZFUMRJM-MRXNPFEDSA-N 1 2 357.454 2.840 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cc(O)ccc2O)Cc2ncn(CC3CC3)c21 ZINC001141157230 1025538877 /nfs/dbraw/zinc/53/88/77/1025538877.db2.gz DRXAZZAZFUMRJM-MRXNPFEDSA-N 1 2 357.454 2.840 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000840481485 1027090134 /nfs/dbraw/zinc/09/01/34/1027090134.db2.gz JHKCYEWPVLHSCY-KRWDZBQOSA-N 1 2 357.502 2.920 20 10 FFCDLO Nc1[nH]c2cc(C(=O)NCc3cc(Cl)c4cccnc4c3O)ccc2[nH+]1 ZINC001156978644 1029430985 /nfs/dbraw/zinc/43/09/85/1029430985.db2.gz APCGDQWDUOYZIF-UHFFFAOYSA-N 1 2 367.796 2.982 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001158256226 1029773318 /nfs/dbraw/zinc/77/33/18/1029773318.db2.gz FIBWNQNCEQUOAB-KDURUIRLSA-N 1 2 367.493 2.996 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001158256226 1029773325 /nfs/dbraw/zinc/77/33/25/1029773325.db2.gz FIBWNQNCEQUOAB-KDURUIRLSA-N 1 2 367.493 2.996 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001203657387 1030807993 /nfs/dbraw/zinc/80/79/93/1030807993.db2.gz DGVYWGKCSGFICM-AWEZNQCLSA-N 1 2 357.845 2.771 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001203657387 1030808007 /nfs/dbraw/zinc/80/80/07/1030808007.db2.gz DGVYWGKCSGFICM-AWEZNQCLSA-N 1 2 357.845 2.771 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC3CC3)nc21 ZINC001203877929 1030952884 /nfs/dbraw/zinc/95/28/84/1030952884.db2.gz LKKLXVAKFNKZOQ-KRWDZBQOSA-N 1 2 357.454 2.840 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cn(CC3CC3)nc21 ZINC001203877929 1030952895 /nfs/dbraw/zinc/95/28/95/1030952895.db2.gz LKKLXVAKFNKZOQ-KRWDZBQOSA-N 1 2 357.454 2.840 20 10 FFCDLO COc1ccc(Cn2cc(C[NH2+]Cc3cccc(Cl)c3O)nn2)cc1 ZINC001204001683 1031032848 /nfs/dbraw/zinc/03/28/48/1031032848.db2.gz BZEIEZCZMKELLP-UHFFFAOYSA-N 1 2 358.829 2.984 20 10 FFCDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(F)c1O ZINC001138123918 1033800481 /nfs/dbraw/zinc/80/04/81/1033800481.db2.gz RMUDJMWVQRZIIG-CQSZACIVSA-N 1 2 354.422 2.599 20 10 FFCDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(F)c1O ZINC001138123918 1033800497 /nfs/dbraw/zinc/80/04/97/1033800497.db2.gz RMUDJMWVQRZIIG-CQSZACIVSA-N 1 2 354.422 2.599 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2c(C)n(C)c3ccccc32)Cc2nnn(C)c21 ZINC001138255364 1034025445 /nfs/dbraw/zinc/02/54/45/1034025445.db2.gz DLHVZVBQTZYEBB-OAHLLOKOSA-N 1 2 353.470 2.751 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2c(C)n(C)c3ccccc32)Cc2nnn(C)c21 ZINC001138255364 1034025462 /nfs/dbraw/zinc/02/54/62/1034025462.db2.gz DLHVZVBQTZYEBB-OAHLLOKOSA-N 1 2 353.470 2.751 20 10 FFCDLO CCN(CC)c1ccc(CN2CC([N@@H+]3CCOC(C)(C)C3)C2)c(OC)c1 ZINC001138390059 1034224381 /nfs/dbraw/zinc/22/43/81/1034224381.db2.gz NIEMXATXQNEUOG-UHFFFAOYSA-N 1 2 361.530 2.836 20 10 FFCDLO CCN(CC)c1ccc(CN2CC([N@H+]3CCOC(C)(C)C3)C2)c(OC)c1 ZINC001138390059 1034224396 /nfs/dbraw/zinc/22/43/96/1034224396.db2.gz NIEMXATXQNEUOG-UHFFFAOYSA-N 1 2 361.530 2.836 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c(OC)c1 ZINC001138390059 1034224406 /nfs/dbraw/zinc/22/44/06/1034224406.db2.gz NIEMXATXQNEUOG-UHFFFAOYSA-N 1 2 361.530 2.836 20 10 FFCDLO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138496461 1034334503 /nfs/dbraw/zinc/33/45/03/1034334503.db2.gz QCESRZXNTRKFDV-UHFFFAOYSA-N 1 2 373.497 2.718 20 10 FFCDLO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138496461 1034334512 /nfs/dbraw/zinc/33/45/12/1034334512.db2.gz QCESRZXNTRKFDV-UHFFFAOYSA-N 1 2 373.497 2.718 20 10 FFCDLO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129644 1034958142 /nfs/dbraw/zinc/95/81/42/1034958142.db2.gz BQDTVEZOSRHIGK-FQEVSTJZSA-N 1 2 359.422 2.972 20 10 FFCDLO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129644 1034958148 /nfs/dbraw/zinc/95/81/48/1034958148.db2.gz BQDTVEZOSRHIGK-FQEVSTJZSA-N 1 2 359.422 2.972 20 10 FFCDLO Cc1cncnc1O[C@@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139130260 1034960678 /nfs/dbraw/zinc/96/06/78/1034960678.db2.gz WDZANSLVXDVELH-CQSZACIVSA-N 1 2 367.405 2.559 20 10 FFCDLO Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139130260 1034960683 /nfs/dbraw/zinc/96/06/83/1034960683.db2.gz WDZANSLVXDVELH-CQSZACIVSA-N 1 2 367.405 2.559 20 10 FFCDLO Cn1ncc2c1C[N@H+](Cc1cc(F)ccc1O)C[C@H]2COc1cccnc1 ZINC001140063689 1035327805 /nfs/dbraw/zinc/32/78/05/1035327805.db2.gz WBGYOMXJGRDBOZ-HNNXBMFYSA-N 1 2 368.412 2.838 20 10 FFCDLO Cn1ncc2c1C[N@@H+](Cc1cc(F)ccc1O)C[C@H]2COc1cccnc1 ZINC001140063689 1035327810 /nfs/dbraw/zinc/32/78/10/1035327810.db2.gz WBGYOMXJGRDBOZ-HNNXBMFYSA-N 1 2 368.412 2.838 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCc3onc(Cn4cccn4)c3C2)cc1Cl ZINC001232263974 1035535695 /nfs/dbraw/zinc/53/56/95/1035535695.db2.gz CQLCWZHNCRWLTA-UHFFFAOYSA-N 1 2 374.828 2.845 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCc3onc(Cn4cccn4)c3C2)cc1Cl ZINC001232263974 1035535699 /nfs/dbraw/zinc/53/56/99/1035535699.db2.gz CQLCWZHNCRWLTA-UHFFFAOYSA-N 1 2 374.828 2.845 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(c3ncccc3F)CC2)cc1Cl ZINC001232271161 1035540173 /nfs/dbraw/zinc/54/01/73/1035540173.db2.gz OJPKSJCACXKANM-UHFFFAOYSA-N 1 2 351.809 2.911 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231473 1035671477 /nfs/dbraw/zinc/67/14/77/1035671477.db2.gz CCYUEEZAXGIWGH-KZULUSFZSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231473 1035671481 /nfs/dbraw/zinc/67/14/81/1035671481.db2.gz CCYUEEZAXGIWGH-KZULUSFZSA-N 1 2 350.846 2.590 20 10 FFCDLO Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277232166 1035677401 /nfs/dbraw/zinc/67/74/01/1035677401.db2.gz LVYSSYVPDXWEAY-IAGOWNOFSA-N 1 2 374.872 2.545 20 10 FFCDLO Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Cl)c1O ZINC001277232166 1035677407 /nfs/dbraw/zinc/67/74/07/1035677407.db2.gz LVYSSYVPDXWEAY-IAGOWNOFSA-N 1 2 374.872 2.545 20 10 FFCDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277232446 1035679383 /nfs/dbraw/zinc/67/93/83/1035679383.db2.gz QIDGVERCKFFOAN-SFHVURJKSA-N 1 2 352.862 2.649 20 10 FFCDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277232446 1035679394 /nfs/dbraw/zinc/67/93/94/1035679394.db2.gz QIDGVERCKFFOAN-SFHVURJKSA-N 1 2 352.862 2.649 20 10 FFCDLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c(O)cc(Br)cc2F)C1 ZINC001233029349 1036267297 /nfs/dbraw/zinc/26/72/97/1036267297.db2.gz CCWIWKBCIQDJGZ-GFCCVEGCSA-N 1 2 359.239 2.737 20 10 FFCDLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(O)cc(Br)cc2F)C1 ZINC001233029349 1036267310 /nfs/dbraw/zinc/26/73/10/1036267310.db2.gz CCWIWKBCIQDJGZ-GFCCVEGCSA-N 1 2 359.239 2.737 20 10 FFCDLO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031794 1036269876 /nfs/dbraw/zinc/26/98/76/1036269876.db2.gz MKSRRAGYTURCJO-SNVBAGLBSA-N 1 2 359.239 2.594 20 10 FFCDLO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031794 1036269882 /nfs/dbraw/zinc/26/98/82/1036269882.db2.gz MKSRRAGYTURCJO-SNVBAGLBSA-N 1 2 359.239 2.594 20 10 FFCDLO O=C1OCCN1C1CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233032023 1036271439 /nfs/dbraw/zinc/27/14/39/1036271439.db2.gz SIQAEAVXPTWQBN-UHFFFAOYSA-N 1 2 373.222 2.710 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031330 1036272097 /nfs/dbraw/zinc/27/20/97/1036272097.db2.gz BWKYVDATBRKUIT-NXEZZACHSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031330 1036272111 /nfs/dbraw/zinc/27/21/11/1036272111.db2.gz BWKYVDATBRKUIT-NXEZZACHSA-N 1 2 360.223 2.925 20 10 FFCDLO CCOCc1ncn2c1C[N@H+](Cc1ccc(N(CC)CC)cc1O)CC2 ZINC001140852583 1036287298 /nfs/dbraw/zinc/28/72/98/1036287298.db2.gz UFCWIGDFEYZTRP-UHFFFAOYSA-N 1 2 358.486 2.987 20 10 FFCDLO CCOCc1ncn2c1C[N@@H+](Cc1ccc(N(CC)CC)cc1O)CC2 ZINC001140852583 1036287309 /nfs/dbraw/zinc/28/73/09/1036287309.db2.gz UFCWIGDFEYZTRP-UHFFFAOYSA-N 1 2 358.486 2.987 20 10 FFCDLO COc1ccc2c(c1O[C@H]1C[NH+]3CCC1CC3)C(=O)c1ccccc1C2=O ZINC001229243754 1036574053 /nfs/dbraw/zinc/57/40/53/1036574053.db2.gz XOJOJMMQAJAXHU-SFHVURJKSA-N 1 2 363.413 2.944 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnnn3Cc3ccccc3)CC2)cc1 ZINC001233460719 1036638215 /nfs/dbraw/zinc/63/82/15/1036638215.db2.gz POEOXEWURZCEOO-UHFFFAOYSA-N 1 2 363.465 2.657 20 10 FFCDLO Cc1cc(C)c(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000836654386 1036728665 /nfs/dbraw/zinc/72/86/65/1036728665.db2.gz MQULQRNMDGLXQN-UHFFFAOYSA-N 1 2 368.481 2.877 20 10 FFCDLO COc1c(O[C@H]2CC[N@H+](C)C2)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001234126269 1036930920 /nfs/dbraw/zinc/93/09/20/1036930920.db2.gz CSJSDTOIROQBSC-LBPRGKRZSA-N 1 2 367.401 2.568 20 10 FFCDLO COc1c(O[C@H]2CC[N@@H+](C)C2)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001234126269 1036930930 /nfs/dbraw/zinc/93/09/30/1036930930.db2.gz CSJSDTOIROQBSC-LBPRGKRZSA-N 1 2 367.401 2.568 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235069990 1037338363 /nfs/dbraw/zinc/33/83/63/1037338363.db2.gz ZGTHSJAIZQEIHQ-GXSJLCMTSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235069990 1037338378 /nfs/dbraw/zinc/33/83/78/1037338378.db2.gz ZGTHSJAIZQEIHQ-GXSJLCMTSA-N 1 2 360.223 2.925 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001235303266 1037463508 /nfs/dbraw/zinc/46/35/08/1037463508.db2.gz MRURZHBSSSJVNU-GFCCVEGCSA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001235303266 1037463515 /nfs/dbraw/zinc/46/35/15/1037463515.db2.gz MRURZHBSSSJVNU-GFCCVEGCSA-N 1 2 355.211 2.722 20 10 FFCDLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(F)cc(Br)c2O)C1 ZINC001235305667 1037464462 /nfs/dbraw/zinc/46/44/62/1037464462.db2.gz PGRCDUJFTNWEGV-ZDUSSCGKSA-N 1 2 359.239 2.737 20 10 FFCDLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(F)cc(Br)c2O)C1 ZINC001235305667 1037464468 /nfs/dbraw/zinc/46/44/68/1037464468.db2.gz PGRCDUJFTNWEGV-ZDUSSCGKSA-N 1 2 359.239 2.737 20 10 FFCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(CCc2ccccn2)CC1 ZINC001231853605 1037952147 /nfs/dbraw/zinc/95/21/47/1037952147.db2.gz MLPBXPUQGMSIGZ-UHFFFAOYSA-N 1 2 354.498 2.517 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231912731 1038006073 /nfs/dbraw/zinc/00/60/73/1038006073.db2.gz UXQAIMHLMYSZKA-CQSZACIVSA-N 1 2 354.878 2.941 20 10 FFCDLO Oc1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c(O)cc1Br ZINC001236775525 1038259655 /nfs/dbraw/zinc/25/96/55/1038259655.db2.gz OBRVSQQHICFMCG-CYBMUJFWSA-N 1 2 350.216 2.987 20 10 FFCDLO Oc1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)c(O)cc1Br ZINC001236775525 1038259669 /nfs/dbraw/zinc/25/96/69/1038259669.db2.gz OBRVSQQHICFMCG-CYBMUJFWSA-N 1 2 350.216 2.987 20 10 FFCDLO COC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236814285 1038287907 /nfs/dbraw/zinc/28/79/07/1038287907.db2.gz UXUIPICCPIJPEW-LBPRGKRZSA-N 1 2 351.834 2.529 20 10 FFCDLO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236814285 1038287912 /nfs/dbraw/zinc/28/79/12/1038287912.db2.gz UXUIPICCPIJPEW-LBPRGKRZSA-N 1 2 351.834 2.529 20 10 FFCDLO COc1ccc(CN2CC[NH+](CCc3ccncc3)CC2)c(O)c1Cl ZINC001236814061 1038288067 /nfs/dbraw/zinc/28/80/67/1038288067.db2.gz SYCKKMKVLPZZRZ-UHFFFAOYSA-N 1 2 361.873 2.810 20 10 FFCDLO CCOc1ccc(C[N@@H+]2CCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001237044249 1038419948 /nfs/dbraw/zinc/41/99/48/1038419948.db2.gz XOVDVIVLAAWNDJ-UHFFFAOYSA-N 1 2 357.454 2.930 20 10 FFCDLO CCOc1ccc(C[N@H+]2CCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001237044249 1038419955 /nfs/dbraw/zinc/41/99/55/1038419955.db2.gz XOVDVIVLAAWNDJ-UHFFFAOYSA-N 1 2 357.454 2.930 20 10 FFCDLO CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)cc(Br)cc1F)CC2 ZINC001278043993 1038439596 /nfs/dbraw/zinc/43/95/96/1038439596.db2.gz AFRQTEAQQQOING-LBPRGKRZSA-N 1 2 371.250 2.642 20 10 FFCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001262617036 1041756912 /nfs/dbraw/zinc/75/69/12/1041756912.db2.gz HCTOXHOBEZAFFA-UZLBHIALSA-N 1 2 354.450 2.813 20 10 FFCDLO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001262617036 1041756921 /nfs/dbraw/zinc/75/69/21/1041756921.db2.gz HCTOXHOBEZAFFA-UZLBHIALSA-N 1 2 354.450 2.813 20 10 FFCDLO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001279570510 1043273624 /nfs/dbraw/zinc/27/36/24/1043273624.db2.gz MUFIEWBXNDHCDL-OAHLLOKOSA-N 1 2 374.868 2.918 20 10 FFCDLO COc1cccc(C[NH+]2CCN(Cc3cc(OC)cc(OC)c3O)CC2)c1 ZINC001237672740 1043302802 /nfs/dbraw/zinc/30/28/02/1043302802.db2.gz AEGGONAVFYMYPM-UHFFFAOYSA-N 1 2 372.465 2.736 20 10 FFCDLO Oc1c(I)cccc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237777956 1043350059 /nfs/dbraw/zinc/35/00/59/1043350059.db2.gz QPUMDJPDHIEQJT-FZMZJTMJSA-N 1 2 373.234 2.998 20 10 FFCDLO COc1ccc(C(=O)N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)cc1 ZINC001238066792 1043512846 /nfs/dbraw/zinc/51/28/46/1043512846.db2.gz LARVLUXWAAJOMZ-UHFFFAOYSA-N 1 2 358.413 2.806 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)cc1 ZINC001542089263 1071167279 /nfs/dbraw/zinc/16/72/79/1071167279.db2.gz IFAAVLZENIHYDC-LJQANCHMSA-N 1 2 355.486 2.953 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)cc1 ZINC001542089263 1071167282 /nfs/dbraw/zinc/16/72/82/1071167282.db2.gz IFAAVLZENIHYDC-LJQANCHMSA-N 1 2 355.486 2.953 20 10 FFCDLO CN(C)c1cc(F)c(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)cc1F ZINC001308895972 1052513406 /nfs/dbraw/zinc/51/34/06/1052513406.db2.gz GXZNCMAHGAKJCL-UHFFFAOYSA-N 1 2 359.420 2.617 20 10 FFCDLO CN(C)c1cc(F)c(C[N@H+]2CCc3c(CC(N)=O)cccc3C2)cc1F ZINC001308895972 1052513414 /nfs/dbraw/zinc/51/34/14/1052513414.db2.gz GXZNCMAHGAKJCL-UHFFFAOYSA-N 1 2 359.420 2.617 20 10 FFCDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000848951140 1055426488 /nfs/dbraw/zinc/42/64/88/1055426488.db2.gz OJEMFUDBFSXRRD-OAQYLSRUSA-N 1 2 365.477 2.505 20 10 FFCDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000848951140 1055426494 /nfs/dbraw/zinc/42/64/94/1055426494.db2.gz OJEMFUDBFSXRRD-OAQYLSRUSA-N 1 2 365.477 2.505 20 10 FFCDLO O=C(NCC[N@@H+]1CCc2sccc2C1)NCc1cccc(Cl)c1O ZINC001477607179 1061751160 /nfs/dbraw/zinc/75/11/60/1061751160.db2.gz JJSGQCQEGTZZHI-UHFFFAOYSA-N 1 2 365.886 2.965 20 10 FFCDLO O=C(NCC[N@H+]1CCc2sccc2C1)NCc1cccc(Cl)c1O ZINC001477607179 1061751178 /nfs/dbraw/zinc/75/11/78/1061751178.db2.gz JJSGQCQEGTZZHI-UHFFFAOYSA-N 1 2 365.886 2.965 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)c1O ZINC001588900365 1080248705 /nfs/dbraw/zinc/24/87/05/1080248705.db2.gz BCMVPZJMEPXDTA-UHFFFAOYSA-N 1 2 361.402 2.608 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cc(-c3nn[nH]n3)cs2)c1O ZINC001588900365 1080248714 /nfs/dbraw/zinc/24/87/14/1080248714.db2.gz BCMVPZJMEPXDTA-UHFFFAOYSA-N 1 2 361.402 2.608 20 10 FFCDLO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1ccccc1 ZINC001589999582 1080928775 /nfs/dbraw/zinc/92/87/75/1080928775.db2.gz XRWRRENEMQIAJM-DZKIICNBSA-N 1 2 367.453 2.778 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1F ZINC000377350021 512227825 /nfs/dbraw/zinc/22/78/25/512227825.db2.gz HSURJIRFZXGHAC-AWEZNQCLSA-N 1 2 359.449 2.752 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1F ZINC000377350021 512227829 /nfs/dbraw/zinc/22/78/29/512227829.db2.gz HSURJIRFZXGHAC-AWEZNQCLSA-N 1 2 359.449 2.752 20 10 FFCDLO COc1ccc(N2CCC[N@H+](Cc3ncn(-c4ccccc4)n3)CC2)cc1 ZINC000092794586 508101422 /nfs/dbraw/zinc/10/14/22/508101422.db2.gz XGZDBQPECQRKFS-UHFFFAOYSA-N 1 2 363.465 2.988 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](Cc3ncn(-c4ccccc4)n3)CC2)cc1 ZINC000092794586 508101426 /nfs/dbraw/zinc/10/14/26/508101426.db2.gz XGZDBQPECQRKFS-UHFFFAOYSA-N 1 2 363.465 2.988 20 10 FFCDLO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185971215 509457518 /nfs/dbraw/zinc/45/75/18/509457518.db2.gz UTEXXHDQJPYGBA-SECBINFHSA-N 1 2 355.287 2.677 20 10 FFCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)c2[nH+]cnc3c2cnn3C)cc1 ZINC000165749564 509582803 /nfs/dbraw/zinc/58/28/03/509582803.db2.gz XOLKWPXKUZRZHL-QGZVFWFLSA-N 1 2 366.469 2.615 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(N)=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000174918269 510386630 /nfs/dbraw/zinc/38/66/30/510386630.db2.gz VZJGHKXKUMFUBX-UHFFFAOYSA-N 1 2 372.444 2.549 20 10 FFCDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187694064 510390779 /nfs/dbraw/zinc/39/07/79/510390779.db2.gz NABXYNQFAGXHLV-GHMZBOCLSA-N 1 2 370.421 2.990 20 10 FFCDLO Cc1ccc(F)cc1/C=C1\SC(=S)N(CC[NH+]2CCOCC2)C1=O ZINC000182077004 510744174 /nfs/dbraw/zinc/74/41/74/510744174.db2.gz VPUTWVJCXJODQQ-PTNGSMBKSA-N 1 2 366.483 2.668 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000277680483 510969043 /nfs/dbraw/zinc/96/90/43/510969043.db2.gz GGYANTRMBORUOW-CQSZACIVSA-N 1 2 359.875 2.647 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000277680483 510969049 /nfs/dbraw/zinc/96/90/49/510969049.db2.gz GGYANTRMBORUOW-CQSZACIVSA-N 1 2 359.875 2.647 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000289373893 511099429 /nfs/dbraw/zinc/09/94/29/511099429.db2.gz BOEKBNJXKDVHCQ-LLVKDONJSA-N 1 2 365.065 2.778 20 10 FFCDLO COC[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)OCCc2ccccc21 ZINC000289817394 511116663 /nfs/dbraw/zinc/11/66/63/511116663.db2.gz LYGAFRAHWGBXMZ-LJQANCHMSA-N 1 2 358.394 2.505 20 10 FFCDLO COC1CCN(c2ccc(C[N@@H+]3CC[S@](=O)[C@H](C)[C@@H]3C)cc2)CC1 ZINC000294869683 511204304 /nfs/dbraw/zinc/20/43/04/511204304.db2.gz DQYRRGQWRDBQQC-DXMSMQRWSA-N 1 2 350.528 2.643 20 10 FFCDLO COC1CCN(c2ccc(C[N@H+]3CC[S@](=O)[C@H](C)[C@@H]3C)cc2)CC1 ZINC000294869683 511204309 /nfs/dbraw/zinc/20/43/09/511204309.db2.gz DQYRRGQWRDBQQC-DXMSMQRWSA-N 1 2 350.528 2.643 20 10 FFCDLO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000298899103 511447245 /nfs/dbraw/zinc/44/72/45/511447245.db2.gz MHRFQGNQKWQMMH-SFHVURJKSA-N 1 2 371.485 2.616 20 10 FFCDLO COCCN(C)c1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)c[nH+]1 ZINC000292318182 511551404 /nfs/dbraw/zinc/55/14/04/511551404.db2.gz MBLYBGCPLBAORH-GXDHUFHOSA-N 1 2 363.508 2.918 20 10 FFCDLO Cc1ccc([C@H](CNC(=O)NCc2ccccc2O)[NH+]2CCOCC2)cc1 ZINC000299546711 511662941 /nfs/dbraw/zinc/66/29/41/511662941.db2.gz WPVVSUNLQDPVFP-IBGZPJMESA-N 1 2 369.465 2.573 20 10 FFCDLO CC1CCN(c2ccc(CNc3nc4c(cnn4C)c(N)[nH+]3)cc2)CC1 ZINC000302875597 511718787 /nfs/dbraw/zinc/71/87/87/511718787.db2.gz FOTXVLGWMJVPCO-UHFFFAOYSA-N 1 2 351.458 2.794 20 10 FFCDLO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000897986026 735300486 /nfs/dbraw/zinc/30/04/86/735300486.db2.gz UUIYIRRSLNRKEN-LBPRGKRZSA-N 1 2 353.781 2.793 20 10 FFCDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862326440 730687783 /nfs/dbraw/zinc/68/77/83/730687783.db2.gz ODGMLFWVOSDPGQ-UHFFFAOYSA-N 1 2 367.287 2.988 20 10 FFCDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1c(O)cccc1Br ZINC000862326440 730687784 /nfs/dbraw/zinc/68/77/84/730687784.db2.gz ODGMLFWVOSDPGQ-UHFFFAOYSA-N 1 2 367.287 2.988 20 10 FFCDLO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000862513771 730705857 /nfs/dbraw/zinc/70/58/57/730705857.db2.gz VIFLVROVCFHMBY-ZDUSSCGKSA-N 1 2 374.840 2.910 20 10 FFCDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(O)c1 ZINC000876615379 732262206 /nfs/dbraw/zinc/26/22/06/732262206.db2.gz CGQXBOFKPHVFCL-UHFFFAOYSA-N 1 2 361.423 2.628 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000883015924 733321449 /nfs/dbraw/zinc/32/14/49/733321449.db2.gz ITMVUIDTXPZPNA-ZDUSSCGKSA-N 1 2 364.667 2.685 20 10 FFCDLO CCCN1C[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000883147161 733342243 /nfs/dbraw/zinc/34/22/43/733342243.db2.gz MQSMAIXBLZONAA-SNVBAGLBSA-N 1 2 359.239 2.642 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(Br)c(F)cc1O ZINC000756419647 736329699 /nfs/dbraw/zinc/32/96/99/736329699.db2.gz WCNJVKJMVDPRSD-WDEREUQCSA-N 1 2 361.255 2.665 20 10 FFCDLO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Br)c(F)cc1O ZINC000756704255 736353697 /nfs/dbraw/zinc/35/36/97/736353697.db2.gz JJEPGUVASXNGAJ-IDKOKCKLSA-N 1 2 359.239 2.989 20 10 FFCDLO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)cc(Cl)c1O ZINC000795842533 740070066 /nfs/dbraw/zinc/07/00/66/740070066.db2.gz APENTOZHUDVLGI-ZCFIWIBFSA-N 1 2 371.609 2.840 20 10 FFCDLO CCC1(CC)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@]1=O ZINC000769558952 737542067 /nfs/dbraw/zinc/54/20/67/737542067.db2.gz YVKLYTNKPFNOGF-RUZDIDTESA-N 1 2 368.518 2.785 20 10 FFCDLO CCC1(CC)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[S@]1=O ZINC000769558952 737542069 /nfs/dbraw/zinc/54/20/69/737542069.db2.gz YVKLYTNKPFNOGF-RUZDIDTESA-N 1 2 368.518 2.785 20 10 FFCDLO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775663583 738110362 /nfs/dbraw/zinc/11/03/62/738110362.db2.gz OGYWIASKKRUXPV-RYUDHWBXSA-N 1 2 358.841 2.548 20 10 FFCDLO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775663583 738110364 /nfs/dbraw/zinc/11/03/64/738110364.db2.gz OGYWIASKKRUXPV-RYUDHWBXSA-N 1 2 358.841 2.548 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922935823 738221067 /nfs/dbraw/zinc/22/10/67/738221067.db2.gz VUQJQGRDYMINTP-LLVKDONJSA-N 1 2 350.640 2.703 20 10 FFCDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792824024 739710302 /nfs/dbraw/zinc/71/03/02/739710302.db2.gz XAYUGTKILWJWJP-NSHDSACASA-N 1 2 352.422 2.636 20 10 FFCDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792824024 739710307 /nfs/dbraw/zinc/71/03/07/739710307.db2.gz XAYUGTKILWJWJP-NSHDSACASA-N 1 2 352.422 2.636 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@@]2(CCCOC2)O1 ZINC000796031275 740093828 /nfs/dbraw/zinc/09/38/28/740093828.db2.gz IXNKGPJRQKQZLI-MLGOLLRUSA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@@]2(CCCOC2)O1 ZINC000796031275 740093833 /nfs/dbraw/zinc/09/38/33/740093833.db2.gz IXNKGPJRQKQZLI-MLGOLLRUSA-N 1 2 356.260 2.925 20 10 FFCDLO CC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Cl)c1O ZINC000806166025 741044792 /nfs/dbraw/zinc/04/47/92/741044792.db2.gz OEYCIJAMIFCZNW-IUODEOHRSA-N 1 2 360.907 2.900 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000809708820 741334614 /nfs/dbraw/zinc/33/46/14/741334614.db2.gz HZXRSNLOOILSME-LSDHHAIUSA-N 1 2 368.861 2.915 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000809708820 741334618 /nfs/dbraw/zinc/33/46/18/741334618.db2.gz HZXRSNLOOILSME-LSDHHAIUSA-N 1 2 368.861 2.915 20 10 FFCDLO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000818351605 742266136 /nfs/dbraw/zinc/26/61/36/742266136.db2.gz VEWGMXBYYRDDIG-VIFPVBQESA-N 1 2 368.268 2.769 20 10 FFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825650892 743306212 /nfs/dbraw/zinc/30/62/12/743306212.db2.gz AMRRVONPBRHLIS-DGFSRKRXSA-N 1 2 354.244 2.928 20 10 FFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Br)cc1O ZINC000825650892 743306223 /nfs/dbraw/zinc/30/62/23/743306223.db2.gz AMRRVONPBRHLIS-DGFSRKRXSA-N 1 2 354.244 2.928 20 10 FFCDLO Nc1ccc(Cc2nc(C(=O)NCCCCn3cc[nH+]c3)cs2)cc1 ZINC000827509554 743591436 /nfs/dbraw/zinc/59/14/36/743591436.db2.gz GXZRVBXHMWGDPX-UHFFFAOYSA-N 1 2 355.467 2.723 20 10 FFCDLO C[NH+](C)[C@H]1CCc2cc(NS(=O)(=O)c3cccc4nonc43)ccc21 ZINC000830114651 745309418 /nfs/dbraw/zinc/30/94/18/745309418.db2.gz YJJKCTGFXMBBMK-HNNXBMFYSA-N 1 2 358.423 2.573 20 10 FFCDLO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000834845185 745913344 /nfs/dbraw/zinc/91/33/44/745913344.db2.gz XWIBZEFXOLAUBB-XPTSAGLGSA-N 1 2 350.228 2.732 20 10 FFCDLO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000835067383 745943281 /nfs/dbraw/zinc/94/32/81/745943281.db2.gz QUNVOXQHXMILDN-ZDUSSCGKSA-N 1 2 374.840 2.910 20 10 FFCDLO O=C(c1ccncc1)N1CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000838986954 746751551 /nfs/dbraw/zinc/75/15/51/746751551.db2.gz NJMLZUATUSSIFI-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCCSc3nccs3)[nH+]cn2)C1 ZINC000840259417 747050515 /nfs/dbraw/zinc/05/05/15/747050515.db2.gz DPAXTSACUGCSPF-CHWSQXEVSA-N 1 2 365.528 2.735 20 10 FFCDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCCSc3nccs3)nc[nH+]2)C1 ZINC000840259417 747050522 /nfs/dbraw/zinc/05/05/22/747050522.db2.gz DPAXTSACUGCSPF-CHWSQXEVSA-N 1 2 365.528 2.735 20 10 FFCDLO CCOc1ccc(C[NH2+][C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c(O)c1 ZINC000846107504 748409216 /nfs/dbraw/zinc/40/92/16/748409216.db2.gz JLUYQLLGAHXHNM-SIIHOXLZSA-N 1 2 351.443 2.627 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)cc(F)c1O ZINC000846206615 748430448 /nfs/dbraw/zinc/43/04/48/748430448.db2.gz QSZYWIXINVNLLV-ZJUUUORDSA-N 1 2 371.250 2.955 20 10 FFCDLO COc1cccc(OCC[NH+]2CCN(Cc3cc(OC)ccc3O)CC2)c1 ZINC000180535696 970829447 /nfs/dbraw/zinc/82/94/47/970829447.db2.gz FBJJCLIDMBYAML-UHFFFAOYSA-N 1 2 372.465 2.606 20 10 FFCDLO COc1cc(O)c(C[NH2+]Cc2nc(Cc3ccccc3F)no2)cc1OC ZINC000895798138 970965721 /nfs/dbraw/zinc/96/57/21/970965721.db2.gz BTGAEIJZCPUEMR-UHFFFAOYSA-N 1 2 373.384 2.812 20 10 FFCDLO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000871869897 1013094054 /nfs/dbraw/zinc/09/40/54/1013094054.db2.gz BQFKXUJGCAELPJ-KGLIPLIRSA-N 1 2 359.426 2.710 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1O ZINC001206222983 1013134438 /nfs/dbraw/zinc/13/44/38/1013134438.db2.gz RQGVNLNOWBZSJX-GFCCVEGCSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)c1O ZINC001206222983 1013134445 /nfs/dbraw/zinc/13/44/45/1013134445.db2.gz RQGVNLNOWBZSJX-GFCCVEGCSA-N 1 2 369.181 2.629 20 10 FFCDLO COCc1ncc2c(n1)CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C2 ZINC000872630033 1013239623 /nfs/dbraw/zinc/23/96/23/1013239623.db2.gz UGQHVYJOLRKUBL-UHFFFAOYSA-N 1 2 357.454 2.890 20 10 FFCDLO COCc1ncc2c(n1)CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C2 ZINC000872630033 1013239633 /nfs/dbraw/zinc/23/96/33/1013239633.db2.gz UGQHVYJOLRKUBL-UHFFFAOYSA-N 1 2 357.454 2.890 20 10 FFCDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c(O)c1OC ZINC000893417317 973449378 /nfs/dbraw/zinc/44/93/78/973449378.db2.gz DNPZEGIACFLXCQ-UHFFFAOYSA-N 1 2 370.449 2.676 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c(C)n1-c1ccccc1C ZINC000898882607 976752557 /nfs/dbraw/zinc/75/25/57/976752557.db2.gz YQVZMUAJFJGIOF-KRWDZBQOSA-N 1 2 352.438 2.599 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1Cl ZINC000825903811 1014397071 /nfs/dbraw/zinc/39/70/71/1014397071.db2.gz SNMQDUOAUYYGHU-LJQANCHMSA-N 1 2 373.884 2.698 20 10 FFCDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(O)c1O ZINC000248408099 977846613 /nfs/dbraw/zinc/84/66/13/977846613.db2.gz DSXMVMGLESFPDS-HOTGVXAUSA-N 1 2 362.376 2.860 20 10 FFCDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(O)c1O ZINC000248408099 977846618 /nfs/dbraw/zinc/84/66/18/977846618.db2.gz DSXMVMGLESFPDS-HOTGVXAUSA-N 1 2 362.376 2.860 20 10 FFCDLO OC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1c(F)cccc1F ZINC000877036824 1014458220 /nfs/dbraw/zinc/45/82/20/1014458220.db2.gz WMYZIEKKLKHHLG-IBGZPJMESA-N 1 2 362.420 2.749 20 10 FFCDLO C[C@@H]1CN(C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)C[C@@H](C)O1 ZINC000072952740 983953921 /nfs/dbraw/zinc/95/39/21/983953921.db2.gz GXJMGJRYMVGRME-HZPDHXFCSA-N 1 2 358.438 2.623 20 10 FFCDLO C[C@@H]1CN(C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)C[C@@H](C)O1 ZINC000072952740 983953929 /nfs/dbraw/zinc/95/39/29/983953929.db2.gz GXJMGJRYMVGRME-HZPDHXFCSA-N 1 2 358.438 2.623 20 10 FFCDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1F ZINC000054549714 986376714 /nfs/dbraw/zinc/37/67/14/986376714.db2.gz NLRUZWZQDVCJLP-UHFFFAOYSA-N 1 2 372.396 2.526 20 10 FFCDLO O=C(Cc1c[nH]c2ccccc12)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179937073 991376195 /nfs/dbraw/zinc/37/61/95/991376195.db2.gz XDWRHXLVMYXPLI-UHFFFAOYSA-N 1 2 367.424 2.900 20 10 FFCDLO C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(C(=O)[O-])ccc1O ZINC001593304249 994743428 /nfs/dbraw/zinc/74/34/28/994743428.db2.gz JNWAPQPIRSGCNE-HNNXBMFYSA-N 1 2 370.449 2.773 20 10 FFCDLO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C)cc1C ZINC001082525087 994824028 /nfs/dbraw/zinc/82/40/28/994824028.db2.gz YESVPEPIFQUFDJ-UXIGCNINSA-N 1 2 362.367 2.841 20 10 FFCDLO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C)cc1C ZINC001082525087 994824038 /nfs/dbraw/zinc/82/40/38/994824038.db2.gz YESVPEPIFQUFDJ-UXIGCNINSA-N 1 2 362.367 2.841 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccccc1C ZINC001136874823 996936082 /nfs/dbraw/zinc/93/60/82/996936082.db2.gz UEVVHJVCKADKIZ-DYESRHJHSA-N 1 2 368.525 2.767 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccccc1C ZINC001136874823 996936091 /nfs/dbraw/zinc/93/60/91/996936091.db2.gz UEVVHJVCKADKIZ-DYESRHJHSA-N 1 2 368.525 2.767 20 10 FFCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)N1CCOC[C@@H]1C1CC1 ZINC000766253601 999672234 /nfs/dbraw/zinc/67/22/34/999672234.db2.gz VOORGLOHNICFCG-LJQANCHMSA-N 1 2 370.449 2.625 20 10 FFCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)N1CCOC[C@@H]1C1CC1 ZINC000766253601 999672237 /nfs/dbraw/zinc/67/22/37/999672237.db2.gz VOORGLOHNICFCG-LJQANCHMSA-N 1 2 370.449 2.625 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)c(OC)c1 ZINC000846756342 1000421521 /nfs/dbraw/zinc/42/15/21/1000421521.db2.gz XEZPMJKZWXSPMM-UHFFFAOYSA-N 1 2 358.486 2.978 20 10 FFCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000769314935 1000490390 /nfs/dbraw/zinc/49/03/90/1000490390.db2.gz RSOVAENPNMGLQS-UHFFFAOYSA-N 1 2 362.376 2.637 20 10 FFCDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001276193310 1016507736 /nfs/dbraw/zinc/50/77/36/1016507736.db2.gz YTHKJJQWERHNDH-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001276193310 1016507746 /nfs/dbraw/zinc/50/77/46/1016507746.db2.gz YTHKJJQWERHNDH-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CCCC[C@@H](C)C3)cc12 ZINC001184356707 1002565522 /nfs/dbraw/zinc/56/55/22/1002565522.db2.gz LRAKDDNXOXDUGY-CQSZACIVSA-N 1 2 372.465 2.887 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CCCC[C@@H](C)C3)cc12 ZINC001184356707 1002565530 /nfs/dbraw/zinc/56/55/30/1002565530.db2.gz LRAKDDNXOXDUGY-CQSZACIVSA-N 1 2 372.465 2.887 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N(C(C)C)C(C)C)cc12 ZINC001184355112 1002579707 /nfs/dbraw/zinc/57/97/07/1002579707.db2.gz RPAFYYVDTYQURN-UHFFFAOYSA-N 1 2 360.454 2.884 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N(C(C)C)C(C)C)cc12 ZINC001184355112 1002579718 /nfs/dbraw/zinc/57/97/18/1002579718.db2.gz RPAFYYVDTYQURN-UHFFFAOYSA-N 1 2 360.454 2.884 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)NCc3cc(C)[nH+]c(C)c3)C2)cc1 ZINC000852384880 1006000744 /nfs/dbraw/zinc/00/07/44/1006000744.db2.gz HUIUFGLGBQITQY-QGZVFWFLSA-N 1 2 354.454 2.785 20 10 FFCDLO Cc1cc(C(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000852488860 1006049961 /nfs/dbraw/zinc/04/99/61/1006049961.db2.gz CIJYUPDVSGPFCT-HXUWFJFHSA-N 1 2 367.493 2.683 20 10 FFCDLO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883038767 1006610969 /nfs/dbraw/zinc/61/09/69/1006610969.db2.gz RZJYGAFAVPOVPI-KRWDZBQOSA-N 1 2 360.404 2.994 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2)cc1 ZINC000854301121 1006765398 /nfs/dbraw/zinc/76/53/98/1006765398.db2.gz ITVNXSRNCXPDAF-CVEARBPZSA-N 1 2 369.469 2.586 20 10 FFCDLO COc1ccc(N2CC[NH+](Cn3nccc3-c3cccnc3)CC2)cc1F ZINC000132814666 1007002993 /nfs/dbraw/zinc/00/29/93/1007002993.db2.gz TVPMDMMNJCPEQT-UHFFFAOYSA-N 1 2 367.428 2.873 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)cc1Br ZINC001206243729 1032197547 /nfs/dbraw/zinc/19/75/47/1032197547.db2.gz FVJIIWHDSIFQRT-LBPRGKRZSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)cc1Br ZINC001206243729 1032197551 /nfs/dbraw/zinc/19/75/51/1032197551.db2.gz FVJIIWHDSIFQRT-LBPRGKRZSA-N 1 2 369.181 2.629 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875491 1008233434 /nfs/dbraw/zinc/23/34/34/1008233434.db2.gz QHLVJUPNRQAGGL-KZULUSFZSA-N 1 2 354.406 2.543 20 10 FFCDLO C[C@H](C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)n1cc[nH+]c1 ZINC001177925214 1008793442 /nfs/dbraw/zinc/79/34/42/1008793442.db2.gz CCCXLNCACZYFKN-CYBMUJFWSA-N 1 2 368.359 2.692 20 10 FFCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000823793778 1009240007 /nfs/dbraw/zinc/24/00/07/1009240007.db2.gz KCRYRRGHXWAODM-QGZVFWFLSA-N 1 2 373.453 2.768 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)Cc3ccccc3C)CC2)cc1 ZINC000097653830 1012913736 /nfs/dbraw/zinc/91/37/36/1012913736.db2.gz ZAYDUKWFXJNHJB-UHFFFAOYSA-N 1 2 367.493 2.784 20 10 FFCDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2ncnn21 ZINC000924713530 1017439783 /nfs/dbraw/zinc/43/97/83/1017439783.db2.gz FEWCZBGKFGHXPI-VMUDFCTBSA-N 1 2 359.449 2.826 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cc(CO)on1 ZINC000924714022 1017441758 /nfs/dbraw/zinc/44/17/58/1017441758.db2.gz HQTQLEXVTPJRDE-HZSPNIEDSA-N 1 2 363.433 2.770 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(C)cc3F)CC2)cc1 ZINC000749362821 1020953544 /nfs/dbraw/zinc/95/35/44/1020953544.db2.gz DBKBGOPTRKDOTJ-UHFFFAOYSA-N 1 2 371.456 2.695 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000750745943 1022463223 /nfs/dbraw/zinc/46/32/23/1022463223.db2.gz GKUNIBDKFWJZRC-QGZVFWFLSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000750745943 1022463230 /nfs/dbraw/zinc/46/32/30/1022463230.db2.gz GKUNIBDKFWJZRC-QGZVFWFLSA-N 1 2 355.482 2.853 20 10 FFCDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753547760 1023351104 /nfs/dbraw/zinc/35/11/04/1023351104.db2.gz VLPYGFSKTBBWHT-LJQANCHMSA-N 1 2 371.433 2.735 20 10 FFCDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753547760 1023351113 /nfs/dbraw/zinc/35/11/13/1023351113.db2.gz VLPYGFSKTBBWHT-LJQANCHMSA-N 1 2 371.433 2.735 20 10 FFCDLO COc1ccc(OC)c(CN2CC[NH+](Cc3c(O)cccc3F)CC2)c1 ZINC001137837336 1033178018 /nfs/dbraw/zinc/17/80/18/1033178018.db2.gz BRASIRSFWQGCGY-UHFFFAOYSA-N 1 2 360.429 2.866 20 10 FFCDLO C[NH+](C)C[C@H]1COCCN1Cc1cc(Cl)cc(Br)c1O ZINC001141374168 1026070210 /nfs/dbraw/zinc/07/02/10/1026070210.db2.gz ABMGSBMGIZBKJV-LBPRGKRZSA-N 1 2 363.683 2.571 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839666772 1026785130 /nfs/dbraw/zinc/78/51/30/1026785130.db2.gz NUCMGVXRPZKGER-RXVVDRJESA-N 1 2 370.493 2.569 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839666772 1026785143 /nfs/dbraw/zinc/78/51/43/1026785143.db2.gz NUCMGVXRPZKGER-RXVVDRJESA-N 1 2 370.493 2.569 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCNc1cccc[nH+]1 ZINC000840242950 1027016922 /nfs/dbraw/zinc/01/69/22/1027016922.db2.gz FHONJUIWGISADP-MRXNPFEDSA-N 1 2 355.486 2.798 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2nnn(CC3CC3)c21 ZINC001203590037 1030773621 /nfs/dbraw/zinc/77/36/21/1030773621.db2.gz RMJYBYUIMYFBNI-MRXNPFEDSA-N 1 2 372.469 2.538 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2nnn(CC3CC3)c21 ZINC001203590037 1030773635 /nfs/dbraw/zinc/77/36/35/1030773635.db2.gz RMJYBYUIMYFBNI-MRXNPFEDSA-N 1 2 372.469 2.538 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cc1O ZINC001203876888 1030949925 /nfs/dbraw/zinc/94/99/25/1030949925.db2.gz LIONHZXZLSNGLP-FRQCXROJSA-N 1 2 356.422 2.551 20 10 FFCDLO Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cc1O ZINC001203876888 1030949934 /nfs/dbraw/zinc/94/99/34/1030949934.db2.gz LIONHZXZLSNGLP-FRQCXROJSA-N 1 2 356.422 2.551 20 10 FFCDLO COc1cc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc(O)c1O ZINC001204346214 1031242525 /nfs/dbraw/zinc/24/25/25/1031242525.db2.gz GYABVIGWWIMWJI-UHFFFAOYSA-N 1 2 364.442 2.596 20 10 FFCDLO COc1cc(C[N@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc(O)c1O ZINC001204346214 1031242535 /nfs/dbraw/zinc/24/25/35/1031242535.db2.gz GYABVIGWWIMWJI-UHFFFAOYSA-N 1 2 364.442 2.596 20 10 FFCDLO COc1cc(C[N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204346751 1031242639 /nfs/dbraw/zinc/24/26/39/1031242639.db2.gz YKAYNJYMIXPMKC-CHWSQXEVSA-N 1 2 370.421 2.544 20 10 FFCDLO COc1cc(C[N@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204346751 1031242655 /nfs/dbraw/zinc/24/26/55/1031242655.db2.gz YKAYNJYMIXPMKC-CHWSQXEVSA-N 1 2 370.421 2.544 20 10 FFCDLO Cc1cc(CCNC(=O)/C=C\C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC001150450232 1031717116 /nfs/dbraw/zinc/71/71/16/1031717116.db2.gz XBCLCVQGOJPAHX-TWGQIWQCSA-N 1 2 367.493 2.641 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001220189867 1034032742 /nfs/dbraw/zinc/03/27/42/1034032742.db2.gz WYWXPUZLFHQZSO-CQSZACIVSA-N 1 2 363.408 2.774 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001277098529 1034524735 /nfs/dbraw/zinc/52/47/35/1034524735.db2.gz SBFGFYMNYALYLC-BUXKBTBVSA-N 1 2 366.408 2.605 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(F)c1F ZINC001277098529 1034524743 /nfs/dbraw/zinc/52/47/43/1034524743.db2.gz SBFGFYMNYALYLC-BUXKBTBVSA-N 1 2 366.408 2.605 20 10 FFCDLO Brc1cc(C[NH+]2CC3(CSC3)C2)ccc1N1CCOCC1 ZINC001138676992 1034537369 /nfs/dbraw/zinc/53/73/69/1034537369.db2.gz BUUBOMXLBIUZNQ-UHFFFAOYSA-N 1 2 369.328 2.835 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccnn3[C@@H]3CCCCO3)CC2)cc1 ZINC001138774065 1034644013 /nfs/dbraw/zinc/64/40/13/1034644013.db2.gz XFSINOSGXHCKGC-FQEVSTJZSA-N 1 2 356.470 2.913 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001139126560 1034957010 /nfs/dbraw/zinc/95/70/10/1034957010.db2.gz KMVLVALLMWOIRT-UHFFFAOYSA-N 1 2 357.328 2.696 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)Cc2nnn(CC)c21 ZINC001139672540 1035194456 /nfs/dbraw/zinc/19/44/56/1035194456.db2.gz XZFIAMLHPQOUJV-KRWDZBQOSA-N 1 2 357.502 2.808 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)Cc2nnn(CC)c21 ZINC001139672540 1035194458 /nfs/dbraw/zinc/19/44/58/1035194458.db2.gz XZFIAMLHPQOUJV-KRWDZBQOSA-N 1 2 357.502 2.808 20 10 FFCDLO CC(C)CN1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277231323 1035667825 /nfs/dbraw/zinc/66/78/25/1035667825.db2.gz BDHKQVRAJLHNBD-GOSISDBHSA-N 1 2 352.862 2.505 20 10 FFCDLO CCOCCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232133 1035677525 /nfs/dbraw/zinc/67/75/25/1035677525.db2.gz LATDGGFVDCLYTO-OAHLLOKOSA-N 1 2 366.889 2.800 20 10 FFCDLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010013 1036242059 /nfs/dbraw/zinc/24/20/59/1036242059.db2.gz HFHYWUZOMLHUSY-LBPRGKRZSA-N 1 2 352.431 2.635 20 10 FFCDLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010013 1036242077 /nfs/dbraw/zinc/24/20/77/1036242077.db2.gz HFHYWUZOMLHUSY-LBPRGKRZSA-N 1 2 352.431 2.635 20 10 FFCDLO O=C1c2ccc(O[C@@H]3CCc4[nH+]ccn4C3)cc2C(=O)c2ccc(O)cc21 ZINC001229191091 1036541624 /nfs/dbraw/zinc/54/16/24/1036541624.db2.gz SVUDNKPGBJRGRG-CQSZACIVSA-N 1 2 360.369 2.758 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC001141031017 1036774643 /nfs/dbraw/zinc/77/46/43/1036774643.db2.gz VNXHVUJMWLKHFF-UHFFFAOYSA-N 1 2 370.449 2.676 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235069994 1037338059 /nfs/dbraw/zinc/33/80/59/1037338059.db2.gz ZGTHSJAIZQEIHQ-MWLCHTKSSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235069994 1037338076 /nfs/dbraw/zinc/33/80/76/1037338076.db2.gz ZGTHSJAIZQEIHQ-MWLCHTKSSA-N 1 2 360.223 2.925 20 10 FFCDLO O=C1CCCN1C1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235305040 1037463772 /nfs/dbraw/zinc/46/37/72/1037463772.db2.gz JBFALWNPYTUBJW-UHFFFAOYSA-N 1 2 371.250 2.881 20 10 FFCDLO O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001231342844 1037541206 /nfs/dbraw/zinc/54/12/06/1037541206.db2.gz YJWQZXITOZEYBN-LJQANCHMSA-N 1 2 355.390 2.507 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2c1cnn2C ZINC001231851254 1037948005 /nfs/dbraw/zinc/94/80/05/1037948005.db2.gz BMLCTOIRVJDFNS-MRXNPFEDSA-N 1 2 358.486 2.631 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2c1cnn2C ZINC001231851254 1037948023 /nfs/dbraw/zinc/94/80/23/1037948023.db2.gz BMLCTOIRVJDFNS-MRXNPFEDSA-N 1 2 358.486 2.631 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231914842 1038012795 /nfs/dbraw/zinc/01/27/95/1038012795.db2.gz RWBWVJDAPOXOQN-QWHCGFSZSA-N 1 2 356.850 2.506 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231914842 1038012813 /nfs/dbraw/zinc/01/28/13/1038012813.db2.gz RWBWVJDAPOXOQN-QWHCGFSZSA-N 1 2 356.850 2.506 20 10 FFCDLO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(Cl)c(Cl)cc3O)CC[C@@H]2C1 ZINC001236789099 1038271164 /nfs/dbraw/zinc/27/11/64/1038271164.db2.gz CEZJGXNWYJEWPL-SJKOYZFVSA-N 1 2 373.280 2.768 20 10 FFCDLO CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(Cl)c(Cl)cc3O)CC[C@@H]2C1 ZINC001236789099 1038271179 /nfs/dbraw/zinc/27/11/79/1038271179.db2.gz CEZJGXNWYJEWPL-SJKOYZFVSA-N 1 2 373.280 2.768 20 10 FFCDLO CCn1nnc2c1CC[N@H+](Cc1cc3ccccc3cc1O)[C@@H]2COC ZINC001236828948 1038293787 /nfs/dbraw/zinc/29/37/87/1038293787.db2.gz HLHUSPDTBXQOOD-GOSISDBHSA-N 1 2 352.438 2.903 20 10 FFCDLO CCn1nnc2c1CC[N@@H+](Cc1cc3ccccc3cc1O)[C@@H]2COC ZINC001236828948 1038293791 /nfs/dbraw/zinc/29/37/91/1038293791.db2.gz HLHUSPDTBXQOOD-GOSISDBHSA-N 1 2 352.438 2.903 20 10 FFCDLO CCOC(=O)N1CC[C@H]([N@@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)C1 ZINC001256039759 1038333935 /nfs/dbraw/zinc/33/39/35/1038333935.db2.gz MYGPFKMMNLFTPM-AWEZNQCLSA-N 1 2 357.454 2.776 20 10 FFCDLO CCOC(=O)N1CC[C@H]([N@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)C1 ZINC001256039759 1038333949 /nfs/dbraw/zinc/33/39/49/1038333949.db2.gz MYGPFKMMNLFTPM-AWEZNQCLSA-N 1 2 357.454 2.776 20 10 FFCDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c(O)c1 ZINC001237042435 1038418924 /nfs/dbraw/zinc/41/89/24/1038418924.db2.gz VIRDIIUTQDDSOA-UHFFFAOYSA-N 1 2 358.413 2.888 20 10 FFCDLO C[NH+]1CCN(c2ccc(CN3CC(C)(F)C3)cc2Br)CC1 ZINC001237089258 1038440640 /nfs/dbraw/zinc/44/06/40/1038440640.db2.gz GIVVYMNWCJKYSZ-UHFFFAOYSA-N 1 2 356.283 2.745 20 10 FFCDLO Cc1ccnc(N2CC[NH+](Cc3c(O)cccc3OC(F)(F)F)CC2)n1 ZINC001237125912 1038450455 /nfs/dbraw/zinc/45/04/55/1038450455.db2.gz SEAMEQVUTLFBPI-UHFFFAOYSA-N 1 2 368.359 2.711 20 10 FFCDLO COc1ccc(N2CC[NH+](CCOC(=O)c3ccccc3)CC2)c(OC)c1 ZINC001209047459 1038649243 /nfs/dbraw/zinc/64/92/43/1038649243.db2.gz BWZVOOWPNFUNID-UHFFFAOYSA-N 1 2 370.449 2.683 20 10 FFCDLO Cc1ncsc1C[NH+]1CC2(CN(Cc3ccc4c(c3)OCCN4C)C2)C1 ZINC001278746247 1040442005 /nfs/dbraw/zinc/44/20/05/1040442005.db2.gz NLUNLKMNLMJIKT-UHFFFAOYSA-N 1 2 370.522 2.598 20 10 FFCDLO Cc1cc(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c(O)cc1Br ZINC001250135670 1041126918 /nfs/dbraw/zinc/12/69/18/1041126918.db2.gz HZHTXLVSLGWRCQ-BETUJISGSA-N 1 2 369.303 2.757 20 10 FFCDLO Cc1cc(CN2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c(O)cc1Br ZINC001250135670 1041126922 /nfs/dbraw/zinc/12/69/22/1041126922.db2.gz HZHTXLVSLGWRCQ-BETUJISGSA-N 1 2 369.303 2.757 20 10 FFCDLO Cc1cc(CN2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c(O)cc1Br ZINC001250135670 1041126929 /nfs/dbraw/zinc/12/69/29/1041126929.db2.gz HZHTXLVSLGWRCQ-BETUJISGSA-N 1 2 369.303 2.757 20 10 FFCDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+]3Cc2cc(Cl)ccc2O)CCC1 ZINC001278566826 1041194504 /nfs/dbraw/zinc/19/45/04/1041194504.db2.gz ICKSIBLYTPESGC-IYBDPMFKSA-N 1 2 364.873 2.790 20 10 FFCDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2cc(Cl)ccc2O)CCC1 ZINC001278566826 1041194515 /nfs/dbraw/zinc/19/45/15/1041194515.db2.gz ICKSIBLYTPESGC-IYBDPMFKSA-N 1 2 364.873 2.790 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCc2[nH+]ccn2C)c1 ZINC001263922477 1042533957 /nfs/dbraw/zinc/53/39/57/1042533957.db2.gz WBNVAALRVYYBJX-UHFFFAOYSA-N 1 2 350.422 2.613 20 10 FFCDLO O=C(Nc1cccnc1)N1CCC2(C[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001279421568 1043093171 /nfs/dbraw/zinc/09/31/71/1043093171.db2.gz KLNHGKMBZXEQLU-UHFFFAOYSA-N 1 2 356.401 2.666 20 10 FFCDLO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2c(O)ccc(F)c2F)n(C)n1 ZINC001279490044 1043175552 /nfs/dbraw/zinc/17/55/52/1043175552.db2.gz OFQORCJDQAMFNC-IRXDYDNUSA-N 1 2 362.424 2.561 20 10 FFCDLO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2c(O)ccc(F)c2F)n(C)n1 ZINC001279490044 1043175562 /nfs/dbraw/zinc/17/55/62/1043175562.db2.gz OFQORCJDQAMFNC-IRXDYDNUSA-N 1 2 362.424 2.561 20 10 FFCDLO Oc1ccc(C(F)(F)F)cc1C[NH+]1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001279686280 1043467694 /nfs/dbraw/zinc/46/76/94/1043467694.db2.gz SFSQLYKGMWASPO-UHFFFAOYSA-N 1 2 352.360 2.594 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CCc3onc(C(=O)N(C)C)c3C2)cc1 ZINC001279743508 1043572765 /nfs/dbraw/zinc/57/27/65/1043572765.db2.gz LWCMXBDCAJVNOF-UHFFFAOYSA-N 1 2 356.470 2.781 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CCc3onc(C(=O)N(C)C)c3C2)cc1 ZINC001279743508 1043572776 /nfs/dbraw/zinc/57/27/76/1043572776.db2.gz LWCMXBDCAJVNOF-UHFFFAOYSA-N 1 2 356.470 2.781 20 10 FFCDLO O=C(c1cc2c([nH]1)C[N@H+](Cc1cc(Cl)ccc1O)CC2)N1CC=CC1 ZINC001279983583 1044034307 /nfs/dbraw/zinc/03/43/07/1044034307.db2.gz MLNRDQHHHWNVHL-UHFFFAOYSA-N 1 2 357.841 2.944 20 10 FFCDLO O=C(c1cc2c([nH]1)C[N@@H+](Cc1cc(Cl)ccc1O)CC2)N1CC=CC1 ZINC001279983583 1044034322 /nfs/dbraw/zinc/03/43/22/1044034322.db2.gz MLNRDQHHHWNVHL-UHFFFAOYSA-N 1 2 357.841 2.944 20 10 FFCDLO CC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[N@@H+]1CCO[C@H](CC)C1 ZINC001294870588 1049822418 /nfs/dbraw/zinc/82/24/18/1049822418.db2.gz XXXLUHXTWNRENK-APWZRJJASA-N 1 2 360.498 2.777 20 10 FFCDLO CC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[N@H+]1CCO[C@H](CC)C1 ZINC001294870588 1049822423 /nfs/dbraw/zinc/82/24/23/1049822423.db2.gz XXXLUHXTWNRENK-APWZRJJASA-N 1 2 360.498 2.777 20 10 FFCDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H]1C ZINC001307492766 1052313736 /nfs/dbraw/zinc/31/37/36/1052313736.db2.gz OTFIMTIBTBFACV-ZIAGYGMSSA-N 1 2 362.429 2.988 20 10 FFCDLO OC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1c(F)cccc1F ZINC001200422771 1056657573 /nfs/dbraw/zinc/65/75/73/1056657573.db2.gz FEUMFEHMDNKODI-KRWDZBQOSA-N 1 2 366.383 2.764 20 10 FFCDLO CCOCCCn1c(C[NH+]2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001516566310 1060147415 /nfs/dbraw/zinc/14/74/15/1060147415.db2.gz SZTQZYAWVUETFF-UHFFFAOYSA-N 1 2 373.501 2.643 20 10 FFCDLO O=C1Nc2ccccc2C[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC001461689280 1061379067 /nfs/dbraw/zinc/37/90/67/1061379067.db2.gz YIOGWSFCKGXVAT-CQSZACIVSA-N 1 2 365.202 2.947 20 10 FFCDLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC001560693469 1076291924 /nfs/dbraw/zinc/29/19/24/1076291924.db2.gz JDZKQBNGXPGGHP-BDAKNGLRSA-N 1 2 361.667 2.894 20 10 FFCDLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC001560693469 1076291926 /nfs/dbraw/zinc/29/19/26/1076291926.db2.gz JDZKQBNGXPGGHP-BDAKNGLRSA-N 1 2 361.667 2.894 20 10 FFCDLO O=C(NCC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1)C(F)(F)F ZINC001560795114 1076300228 /nfs/dbraw/zinc/30/02/28/1076300228.db2.gz MLTBFUNHSKVVJL-UHFFFAOYSA-N 1 2 352.303 2.561 20 10 FFCDLO C[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589951600 1080897859 /nfs/dbraw/zinc/89/78/59/1080897859.db2.gz HTRUFAPPEWWJGG-NSHDSACASA-N 1 2 365.393 2.641 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589958461 1080903006 /nfs/dbraw/zinc/90/30/06/1080903006.db2.gz YTVCBVQILMKTKL-JSGCOSHPSA-N 1 2 368.416 2.641 20 10 FFCDLO C[C@@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1cccc(-c2nn[nH]n2)c1O ZINC001589978122 1080917047 /nfs/dbraw/zinc/91/70/47/1080917047.db2.gz KSZMUFICUARUKA-CYBMUJFWSA-N 1 2 373.457 2.546 20 10 FFCDLO C[N@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000078291358 507856840 /nfs/dbraw/zinc/85/68/40/507856840.db2.gz KLUGECIXHPJEPC-UHFFFAOYSA-N 1 2 365.437 2.600 20 10 FFCDLO C[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000078291358 507856844 /nfs/dbraw/zinc/85/68/44/507856844.db2.gz KLUGECIXHPJEPC-UHFFFAOYSA-N 1 2 365.437 2.600 20 10 FFCDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)c1O ZINC000092185549 508048205 /nfs/dbraw/zinc/04/82/05/508048205.db2.gz SNRNFCUOAXWUOZ-UHFFFAOYSA-N 1 2 358.438 2.959 20 10 FFCDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000114779862 508346645 /nfs/dbraw/zinc/34/66/45/508346645.db2.gz LPDITRACQUNRLC-QGZVFWFLSA-N 1 2 367.497 2.736 20 10 FFCDLO Cc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(C)n1-c1ccccn1 ZINC000152668779 508490912 /nfs/dbraw/zinc/49/09/12/508490912.db2.gz MHQKTZKRFBPLTE-KRWDZBQOSA-N 1 2 361.449 2.893 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1O ZINC000377704774 512409842 /nfs/dbraw/zinc/40/98/42/512409842.db2.gz WRTDAZUTDBLGKF-ZIAGYGMSSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1O ZINC000377704774 512409845 /nfs/dbraw/zinc/40/98/45/512409845.db2.gz WRTDAZUTDBLGKF-ZIAGYGMSSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000158851424 508759733 /nfs/dbraw/zinc/75/97/33/508759733.db2.gz JRRIDWMLHFKYRD-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2[nH+]cnc3c2cnn3C)cc1 ZINC000165749430 509583825 /nfs/dbraw/zinc/58/38/25/509583825.db2.gz XOLKWPXKUZRZHL-KRWDZBQOSA-N 1 2 366.469 2.615 20 10 FFCDLO Cc1ccc2[nH+]c(CSCC(=O)NCCc3ccc(N)cc3)cn2c1 ZINC000237904893 509769419 /nfs/dbraw/zinc/76/94/19/509769419.db2.gz WFFCYKFNDNAUAO-UHFFFAOYSA-N 1 2 354.479 2.817 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000184110840 510138878 /nfs/dbraw/zinc/13/88/78/510138878.db2.gz XHVWHFGBJDRPLN-UHFFFAOYSA-N 1 2 353.846 2.877 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000184110840 510138883 /nfs/dbraw/zinc/13/88/83/510138883.db2.gz XHVWHFGBJDRPLN-UHFFFAOYSA-N 1 2 353.846 2.877 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199653 510544626 /nfs/dbraw/zinc/54/46/26/510544626.db2.gz RWYDSPBCUUIELY-CZUORRHYSA-N 1 2 362.420 2.740 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199653 510544629 /nfs/dbraw/zinc/54/46/29/510544629.db2.gz RWYDSPBCUUIELY-CZUORRHYSA-N 1 2 362.420 2.740 20 10 FFCDLO COc1cc[nH+]cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275776213 510917627 /nfs/dbraw/zinc/91/76/27/510917627.db2.gz VNLBKGIRFUUYCF-UHFFFAOYSA-N 1 2 370.453 2.532 20 10 FFCDLO CC[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc(Cl)c1O ZINC000286976139 511037031 /nfs/dbraw/zinc/03/70/31/511037031.db2.gz ITBCCSQVRSTMEG-IAQYHMDHSA-N 1 2 362.861 2.644 20 10 FFCDLO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cccc(Cl)c1O ZINC000287556573 511052851 /nfs/dbraw/zinc/05/28/51/511052851.db2.gz FYTBBDGALLMYKG-OAHLLOKOSA-N 1 2 360.907 2.900 20 10 FFCDLO CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cccc(Cl)c1O ZINC000287592337 511052902 /nfs/dbraw/zinc/05/29/02/511052902.db2.gz ICUFSDJINLTEOV-SMDDNHRTSA-N 1 2 350.850 2.839 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273464400 511527427 /nfs/dbraw/zinc/52/74/27/511527427.db2.gz IOVBNAYGSIFJDL-SUMWQHHRSA-N 1 2 355.394 2.752 20 10 FFCDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](CC)c2ccc(F)cc2O)CC1 ZINC000296641012 511833357 /nfs/dbraw/zinc/83/33/57/511833357.db2.gz YCHOVOOLMTUUNR-BZQUYTCOSA-N 1 2 371.474 2.759 20 10 FFCDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866401 728426542 /nfs/dbraw/zinc/42/65/42/728426542.db2.gz DBFCMIDQKSMUFB-GJZGRUSLSA-N 1 2 351.466 2.650 20 10 FFCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779028342 738431007 /nfs/dbraw/zinc/43/10/07/738431007.db2.gz HFFXNQPYMBQTGY-MLGOLLRUSA-N 1 2 354.422 2.645 20 10 FFCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779028342 738431010 /nfs/dbraw/zinc/43/10/10/738431010.db2.gz HFFXNQPYMBQTGY-MLGOLLRUSA-N 1 2 354.422 2.645 20 10 FFCDLO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000858468958 730426493 /nfs/dbraw/zinc/42/64/93/730426493.db2.gz NWENTBRTRGPVIC-GWCFXTLKSA-N 1 2 360.285 2.689 20 10 FFCDLO C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000858468958 730426494 /nfs/dbraw/zinc/42/64/94/730426494.db2.gz NWENTBRTRGPVIC-GWCFXTLKSA-N 1 2 360.285 2.689 20 10 FFCDLO COc1c(O)c(C[NH2+]Cc2ncc(Br)s2)ccc1[N+](=O)[O-] ZINC000877766557 732425993 /nfs/dbraw/zinc/42/59/93/732425993.db2.gz FIKPYSCUCDGXEF-UHFFFAOYSA-N 1 2 374.216 2.818 20 10 FFCDLO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1cc(Br)cc(F)c1O ZINC000927156809 738697997 /nfs/dbraw/zinc/69/79/97/738697997.db2.gz RARDKZXTKDLYJO-FZZIBODNSA-N 1 2 374.250 2.874 20 10 FFCDLO COC[C@](C)(CCO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883029001 733323737 /nfs/dbraw/zinc/32/37/37/733323737.db2.gz ARGOBSVSBPXUOP-ZDUSSCGKSA-N 1 2 352.656 2.685 20 10 FFCDLO O=S(=O)(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccco1 ZINC000782466962 738724045 /nfs/dbraw/zinc/72/40/45/738724045.db2.gz FSTCPDBJAXFYJK-CQSZACIVSA-N 1 2 370.858 2.582 20 10 FFCDLO O=S(=O)(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccco1 ZINC000782466962 738724048 /nfs/dbraw/zinc/72/40/48/738724048.db2.gz FSTCPDBJAXFYJK-CQSZACIVSA-N 1 2 370.858 2.582 20 10 FFCDLO O=C1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)CN1 ZINC000894591650 734884018 /nfs/dbraw/zinc/88/40/18/734884018.db2.gz FPFCJLXVMRPRQQ-AWEZNQCLSA-N 1 2 359.651 2.520 20 10 FFCDLO O=C1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)CN1 ZINC000894591650 734884022 /nfs/dbraw/zinc/88/40/22/734884022.db2.gz FPFCJLXVMRPRQQ-AWEZNQCLSA-N 1 2 359.651 2.520 20 10 FFCDLO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000896276255 735130402 /nfs/dbraw/zinc/13/04/02/735130402.db2.gz JGCVXWRKNNKMDD-UHFFFAOYSA-N 1 2 368.886 2.727 20 10 FFCDLO CCn1c[nH+]c2c1CCN(Cc1cc(Br)cc(OC)c1O)C2 ZINC000897336845 735220969 /nfs/dbraw/zinc/22/09/69/735220969.db2.gz PTFFXGDVYPDLGT-UHFFFAOYSA-N 1 2 366.259 2.938 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1O ZINC000748051446 735611845 /nfs/dbraw/zinc/61/18/45/735611845.db2.gz XNDJRPWUBBDKRH-UHFFFAOYSA-N 1 2 352.862 2.985 20 10 FFCDLO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Br)c(F)cc1O ZINC000756368011 736325314 /nfs/dbraw/zinc/32/53/14/736325314.db2.gz NNSWTCWVLZTAFO-VIFPVBQESA-N 1 2 371.206 2.967 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Br)cc(Cl)c1O ZINC000756610116 736347287 /nfs/dbraw/zinc/34/72/87/736347287.db2.gz IDLDIAIMOXUCEK-ISVAXAHUSA-N 1 2 374.666 2.926 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1cc(Br)c(F)cc1O ZINC000756657641 736350314 /nfs/dbraw/zinc/35/03/14/736350314.db2.gz DYIMGHDHYSGUBH-DTWKUNHWSA-N 1 2 368.268 2.768 20 10 FFCDLO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000757659794 736417528 /nfs/dbraw/zinc/41/75/28/736417528.db2.gz QATZKEBWEDCKEN-XPTSAGLGSA-N 1 2 362.239 2.732 20 10 FFCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)C1CC(O)C1 ZINC000761221995 736709103 /nfs/dbraw/zinc/70/91/03/736709103.db2.gz GZGHOLUODHKLDM-UHFFFAOYSA-N 1 2 365.065 2.872 20 10 FFCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)C1CC(O)C1 ZINC000761221995 736709107 /nfs/dbraw/zinc/70/91/07/736709107.db2.gz GZGHOLUODHKLDM-UHFFFAOYSA-N 1 2 365.065 2.872 20 10 FFCDLO COc1c(O)c(CNC[C@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000774980450 738047791 /nfs/dbraw/zinc/04/77/91/738047791.db2.gz WIJVWKQXZKUSSU-MRXNPFEDSA-N 1 2 351.447 2.909 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)c2nnnn2C2CC2)c1 ZINC000791010314 739523192 /nfs/dbraw/zinc/52/31/92/739523192.db2.gz WTPQAJNVTCZVSJ-VIFPVBQESA-N 1 2 352.236 2.635 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000793232578 739755681 /nfs/dbraw/zinc/75/56/81/739755681.db2.gz YUUXIWJIHBVGPC-LRDDRELGSA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000793232578 739755683 /nfs/dbraw/zinc/75/56/83/739755683.db2.gz YUUXIWJIHBVGPC-LRDDRELGSA-N 1 2 356.260 2.843 20 10 FFCDLO C[NH+](C)CCN(Cc1cccc(Br)c1O)C[C@@H]1CCCO1 ZINC000809738414 741338443 /nfs/dbraw/zinc/33/84/43/741338443.db2.gz XAJOWSQWAMEOSI-AWEZNQCLSA-N 1 2 357.292 2.697 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000832298277 745674111 /nfs/dbraw/zinc/67/41/11/745674111.db2.gz KQRRTEGAGVPFJS-OTYXRUKQSA-N 1 2 351.752 2.993 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000832298277 745674114 /nfs/dbraw/zinc/67/41/14/745674114.db2.gz KQRRTEGAGVPFJS-OTYXRUKQSA-N 1 2 351.752 2.993 20 10 FFCDLO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834844583 745913290 /nfs/dbraw/zinc/91/32/90/745913290.db2.gz RMSPKTHFULRQNB-XPTSAGLGSA-N 1 2 350.228 2.732 20 10 FFCDLO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000839148176 746788186 /nfs/dbraw/zinc/78/81/86/746788186.db2.gz GJCZGZNYUJBQTP-UHFFFAOYSA-N 1 2 354.859 2.634 20 10 FFCDLO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cc(Br)c(F)cc1O ZINC000842904247 747717140 /nfs/dbraw/zinc/71/71/40/747717140.db2.gz UARKQYXRIXFOCG-SECBINFHSA-N 1 2 357.227 2.706 20 10 FFCDLO CCOc1cccc(C[NH2+][C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c1O ZINC000846110016 748409244 /nfs/dbraw/zinc/40/92/44/748409244.db2.gz WFCIJLKKLDYJEZ-UNEWFSDZSA-N 1 2 351.443 2.627 20 10 FFCDLO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)c(F)cc1O ZINC000846214283 748431834 /nfs/dbraw/zinc/43/18/34/748431834.db2.gz UYFVVTLVBXHBDO-BMIGLBTASA-N 1 2 362.239 2.876 20 10 FFCDLO C[C@@H](C[NH2+]Cc1cccc(Br)c1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848562003 748960851 /nfs/dbraw/zinc/96/08/51/748960851.db2.gz FFISMZNMSQPVGC-RWMBFGLXSA-N 1 2 357.292 2.742 20 10 FFCDLO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cccc(Br)c2O)C1 ZINC000850354196 749350377 /nfs/dbraw/zinc/35/03/77/749350377.db2.gz XWFCLRKDARRYFF-KYOSRNDESA-N 1 2 358.276 2.810 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C)cs3)CC2)cc1 ZINC000049512199 845187662 /nfs/dbraw/zinc/18/76/62/845187662.db2.gz WHEVOYFEKQKTMD-UHFFFAOYSA-N 1 2 359.495 2.617 20 10 FFCDLO COc1ccc(C[N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000007219253 960431865 /nfs/dbraw/zinc/43/18/65/960431865.db2.gz LSDSUVZNMFQKHA-UHFFFAOYSA-N 1 2 373.472 2.991 20 10 FFCDLO COc1ccc(C[N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000007219253 960431877 /nfs/dbraw/zinc/43/18/77/960431877.db2.gz LSDSUVZNMFQKHA-UHFFFAOYSA-N 1 2 373.472 2.991 20 10 FFCDLO C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(N(C)C)cc1 ZINC000773421467 1013336328 /nfs/dbraw/zinc/33/63/28/1013336328.db2.gz DRWBSPAMLOACDE-NVXWUHKLSA-N 1 2 353.470 2.787 20 10 FFCDLO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)Cc1nc(N)nc(N)n1 ZINC000176682601 966611129 /nfs/dbraw/zinc/61/11/29/966611129.db2.gz WMLAVVJMZMCWOR-ZDUSSCGKSA-N 1 2 350.426 2.505 20 10 FFCDLO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)Cc1nc(N)nc(N)n1 ZINC000176682601 966611134 /nfs/dbraw/zinc/61/11/34/966611134.db2.gz WMLAVVJMZMCWOR-ZDUSSCGKSA-N 1 2 350.426 2.505 20 10 FFCDLO Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(N(C)C)[nH+]1 ZINC000162174020 968015568 /nfs/dbraw/zinc/01/55/68/968015568.db2.gz PLANPKHPPCAZAZ-UHFFFAOYSA-N 1 2 369.469 2.614 20 10 FFCDLO Oc1ccc(Cl)c(Cl)c1CN1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001279676967 969045310 /nfs/dbraw/zinc/04/53/10/969045310.db2.gz TZRWGPJKJFFZBC-UHFFFAOYSA-N 1 2 367.280 2.713 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000066863678 972534066 /nfs/dbraw/zinc/53/40/66/972534066.db2.gz GYNHTUCWSSCCME-GHTZIAJQSA-N 1 2 371.525 2.998 20 10 FFCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001271801561 974350506 /nfs/dbraw/zinc/35/05/06/974350506.db2.gz KUQRFOWNOYVZTA-HXUWFJFHSA-N 1 2 359.470 2.754 20 10 FFCDLO O=C(c1cc(O)[nH]c(=O)c1)N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001271801561 974350518 /nfs/dbraw/zinc/35/05/18/974350518.db2.gz KUQRFOWNOYVZTA-HXUWFJFHSA-N 1 2 359.470 2.754 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000898888796 976748488 /nfs/dbraw/zinc/74/84/88/976748488.db2.gz QOMOKHQXGQFMEC-IBGZPJMESA-N 1 2 366.465 2.908 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000796581196 1014406674 /nfs/dbraw/zinc/40/66/74/1014406674.db2.gz VMVYPTYSJYKHIB-PXNSSMCTSA-N 1 2 356.466 2.749 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000796581196 1014406680 /nfs/dbraw/zinc/40/66/80/1014406680.db2.gz VMVYPTYSJYKHIB-PXNSSMCTSA-N 1 2 356.466 2.749 20 10 FFCDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(O)c1O ZINC000248408098 977846844 /nfs/dbraw/zinc/84/68/44/977846844.db2.gz DSXMVMGLESFPDS-CVEARBPZSA-N 1 2 362.376 2.860 20 10 FFCDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(O)c1O ZINC000248408098 977846849 /nfs/dbraw/zinc/84/68/49/977846849.db2.gz DSXMVMGLESFPDS-CVEARBPZSA-N 1 2 362.376 2.860 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168675574 987152108 /nfs/dbraw/zinc/15/21/08/987152108.db2.gz FRGLXAKBWPMPJA-CJNGLKHVSA-N 1 2 361.825 2.592 20 10 FFCDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C)c1ccccc1O ZINC000878972673 1015310222 /nfs/dbraw/zinc/31/02/22/1015310222.db2.gz QLBZJHSIBULMNT-CYBMUJFWSA-N 1 2 356.426 2.815 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)c1O ZINC000879230921 1015422111 /nfs/dbraw/zinc/42/21/11/1015422111.db2.gz SQSTVLPWOBSVCI-UHFFFAOYSA-N 1 2 372.852 2.834 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCc3c(CC(N)=O)cccc3C2)c1O ZINC000879230921 1015422120 /nfs/dbraw/zinc/42/21/20/1015422120.db2.gz SQSTVLPWOBSVCI-UHFFFAOYSA-N 1 2 372.852 2.834 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)C[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000763306479 989674421 /nfs/dbraw/zinc/67/44/21/989674421.db2.gz LRJIMVMHBVQUQI-QFIPXVFZSA-N 1 2 365.477 2.859 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)C[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000763306479 989674422 /nfs/dbraw/zinc/67/44/22/989674422.db2.gz LRJIMVMHBVQUQI-QFIPXVFZSA-N 1 2 365.477 2.859 20 10 FFCDLO COc1ccc(N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)c(OC)c1 ZINC000879463654 1015549271 /nfs/dbraw/zinc/54/92/71/1015549271.db2.gz KYNFODYDRJZRMD-SANMLTNESA-N 1 2 374.506 2.634 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000920178004 990811059 /nfs/dbraw/zinc/81/10/59/990811059.db2.gz UBLTVHDRMNVOBV-AWEZNQCLSA-N 1 2 370.457 2.974 20 10 FFCDLO CCCn1nccc1C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000825514617 997410037 /nfs/dbraw/zinc/41/00/37/997410037.db2.gz QCITXTKLKBNESY-UHFFFAOYSA-N 1 2 374.485 2.641 20 10 FFCDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000844401243 997860643 /nfs/dbraw/zinc/86/06/43/997860643.db2.gz HUGUUCCVORPULL-RTBURBONSA-N 1 2 356.466 2.667 20 10 FFCDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000844401243 997860653 /nfs/dbraw/zinc/86/06/53/997860653.db2.gz HUGUUCCVORPULL-RTBURBONSA-N 1 2 356.466 2.667 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)Cn2c3cc(F)ccc3oc2=O)cc1 ZINC000844725259 998097865 /nfs/dbraw/zinc/09/78/65/998097865.db2.gz JLUWYFVXMJPMNI-UHFFFAOYSA-N 1 2 359.401 2.768 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)Cn2c3cc(F)ccc3oc2=O)cc1 ZINC000844725259 998097875 /nfs/dbraw/zinc/09/78/75/998097875.db2.gz JLUWYFVXMJPMNI-UHFFFAOYSA-N 1 2 359.401 2.768 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144306888 998301173 /nfs/dbraw/zinc/30/11/73/998301173.db2.gz VRUQIGCREFWQRP-KOLCDFICSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144306888 998301178 /nfs/dbraw/zinc/30/11/78/998301178.db2.gz VRUQIGCREFWQRP-KOLCDFICSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144306890 998302226 /nfs/dbraw/zinc/30/22/26/998302226.db2.gz VRUQIGCREFWQRP-ONGXEEELSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144306890 998302238 /nfs/dbraw/zinc/30/22/38/998302238.db2.gz VRUQIGCREFWQRP-ONGXEEELSA-N 1 2 360.223 2.925 20 10 FFCDLO COc1cccc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1O ZINC000846165222 1000213973 /nfs/dbraw/zinc/21/39/73/1000213973.db2.gz UICKRRYKZDBQCK-CYBMUJFWSA-N 1 2 354.410 2.949 20 10 FFCDLO COc1cc(C(=O)N2CC[NH+](Cc3c(O)cccc3OC)CC2)ccc1C ZINC000768910528 1000384731 /nfs/dbraw/zinc/38/47/31/1000384731.db2.gz SEPHORQJOPKDCA-UHFFFAOYSA-N 1 2 370.449 2.676 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(C(F)(F)F)c1 ZINC000792768238 1003186519 /nfs/dbraw/zinc/18/65/19/1003186519.db2.gz YNEQSPOZZVLGEQ-UHFFFAOYSA-N 1 2 365.403 2.884 20 10 FFCDLO CN(C)c1ccc(-c2nc(C(=O)N3CCc4[nH+]ccn4CC3)cs2)cc1 ZINC001193174573 1004386120 /nfs/dbraw/zinc/38/61/20/1004386120.db2.gz SHDKGLQIAVBMLB-UHFFFAOYSA-N 1 2 367.478 2.771 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc4[nH+]ccn4c3)C2)cc1 ZINC000821202947 1008429633 /nfs/dbraw/zinc/42/96/33/1008429633.db2.gz XWRFVCYZBYIMSN-OAHLLOKOSA-N 1 2 351.410 2.743 20 10 FFCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000773848968 1009630533 /nfs/dbraw/zinc/63/05/33/1009630533.db2.gz QUUMZHMZCOGZJS-GOSISDBHSA-N 1 2 363.502 2.868 20 10 FFCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000773848968 1009630541 /nfs/dbraw/zinc/63/05/41/1009630541.db2.gz QUUMZHMZCOGZJS-GOSISDBHSA-N 1 2 363.502 2.868 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171550076 1011378973 /nfs/dbraw/zinc/37/89/73/1011378973.db2.gz RVSKEBNAKVHOGD-WMZOPIPTSA-N 1 2 355.434 2.637 20 10 FFCDLO Oc1cc2c(cc1C[N@@H+]1CCc3c(ncn3-c3ccccc3)C1)[C@@H](O)CO2 ZINC000777958927 1020333401 /nfs/dbraw/zinc/33/34/01/1020333401.db2.gz UKAZBRLLIIMBSN-FQEVSTJZSA-N 1 2 363.417 2.562 20 10 FFCDLO Oc1cc2c(cc1C[N@H+]1CCc3c(ncn3-c3ccccc3)C1)[C@@H](O)CO2 ZINC000777958927 1020333410 /nfs/dbraw/zinc/33/34/10/1020333410.db2.gz UKAZBRLLIIMBSN-FQEVSTJZSA-N 1 2 363.417 2.562 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CCOCCO)c(C)n1-c1ccc(C)c(C)c1 ZINC000800507792 1020367214 /nfs/dbraw/zinc/36/72/14/1020367214.db2.gz ZDXPKVGUVKLDRM-UHFFFAOYSA-N 1 2 358.482 2.834 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CCOCCO)c(C)n1-c1ccc(C)c(C)c1 ZINC000800507792 1020367231 /nfs/dbraw/zinc/36/72/31/1020367231.db2.gz ZDXPKVGUVKLDRM-UHFFFAOYSA-N 1 2 358.482 2.834 20 10 FFCDLO Cc1c(O)cc2c(c1O[C@H]1CC[NH2+]CC1(F)F)C(=O)c1ccccc1C2=O ZINC001218008756 1032949248 /nfs/dbraw/zinc/94/92/48/1032949248.db2.gz BBNQNDDCUWOCAK-HNNXBMFYSA-N 1 2 373.355 2.852 20 10 FFCDLO COc1ccc(N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000043522531 1022245945 /nfs/dbraw/zinc/24/59/45/1022245945.db2.gz UFLZLWUKIXUGQB-UHFFFAOYSA-N 1 2 362.433 2.843 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001137835387 1033173639 /nfs/dbraw/zinc/17/36/39/1033173639.db2.gz GGYJQMCZINMBQT-UCLAIMLFSA-N 1 2 358.413 2.985 20 10 FFCDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837601 1033179562 /nfs/dbraw/zinc/17/95/62/1033179562.db2.gz NFVLQLNGIHUHJY-UHFFFAOYSA-N 1 2 371.456 2.904 20 10 FFCDLO CN(C)c1ccc(CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000779664908 1024393979 /nfs/dbraw/zinc/39/39/79/1024393979.db2.gz FBZBJNBOLFTBRX-MRXNPFEDSA-N 1 2 353.470 2.638 20 10 FFCDLO CN1C[C@@]2(F)C[N@H+](Cc3cccc(-c4ccccc4)c3O)C[C@@]2(F)C1=O ZINC001276860542 1033269103 /nfs/dbraw/zinc/26/91/03/1033269103.db2.gz IHGDYNIOAVSHSA-WOJBJXKFSA-N 1 2 358.388 2.763 20 10 FFCDLO CN1C[C@@]2(F)C[N@@H+](Cc3cccc(-c4ccccc4)c3O)C[C@@]2(F)C1=O ZINC001276860542 1033269114 /nfs/dbraw/zinc/26/91/14/1033269114.db2.gz IHGDYNIOAVSHSA-WOJBJXKFSA-N 1 2 358.388 2.763 20 10 FFCDLO Cc1cc(C)c(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(C)[nH+]1 ZINC000839488663 1026698192 /nfs/dbraw/zinc/69/81/92/1026698192.db2.gz FKIIWDMPAUBAPU-UHFFFAOYSA-N 1 2 367.449 2.846 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000839921737 1026866565 /nfs/dbraw/zinc/86/65/65/1026866565.db2.gz MFTJUQWQXXDSER-UTKZUKDTSA-N 1 2 373.541 2.752 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000839921737 1026866567 /nfs/dbraw/zinc/86/65/67/1026866567.db2.gz MFTJUQWQXXDSER-UTKZUKDTSA-N 1 2 373.541 2.752 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000840351449 1027056550 /nfs/dbraw/zinc/05/65/50/1027056550.db2.gz MJLDGTIKLYKINS-DOTOQJQBSA-N 1 2 355.486 2.503 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cc1O ZINC001203876891 1030949403 /nfs/dbraw/zinc/94/94/03/1030949403.db2.gz LIONHZXZLSNGLP-TXPKVOOTSA-N 1 2 356.422 2.551 20 10 FFCDLO Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cc1O ZINC001203876891 1030949422 /nfs/dbraw/zinc/94/94/22/1030949422.db2.gz LIONHZXZLSNGLP-TXPKVOOTSA-N 1 2 356.422 2.551 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cc1O ZINC001203878494 1030953183 /nfs/dbraw/zinc/95/31/83/1030953183.db2.gz UYXNMHNBTHJDAR-NRFANRHFSA-N 1 2 354.450 2.969 20 10 FFCDLO Oc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cc1O ZINC001203878494 1030953195 /nfs/dbraw/zinc/95/31/95/1030953195.db2.gz UYXNMHNBTHJDAR-NRFANRHFSA-N 1 2 354.450 2.969 20 10 FFCDLO CC[NH+]1CCN(c2ccc(CNc3[nH+]cccc3C(=O)[O-])cc2F)CC1 ZINC000843034514 1031147605 /nfs/dbraw/zinc/14/76/05/1031147605.db2.gz MMPFASKSPALCTP-UHFFFAOYSA-N 1 2 358.417 2.673 20 10 FFCDLO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001276944683 1033709980 /nfs/dbraw/zinc/70/99/80/1033709980.db2.gz VZTXHQUBTKRDBR-GFCCVEGCSA-N 1 2 371.250 2.642 20 10 FFCDLO O=C(Nc1cccnc1)c1noc2c1C[N@H+](Cc1cccc(F)c1O)CC2 ZINC001138126915 1033808056 /nfs/dbraw/zinc/80/80/56/1033808056.db2.gz MPVUQQIVFHHPJC-UHFFFAOYSA-N 1 2 368.368 2.725 20 10 FFCDLO O=C(Nc1cccnc1)c1noc2c1C[N@@H+](Cc1cccc(F)c1O)CC2 ZINC001138126915 1033808066 /nfs/dbraw/zinc/80/80/66/1033808066.db2.gz MPVUQQIVFHHPJC-UHFFFAOYSA-N 1 2 368.368 2.725 20 10 FFCDLO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@H+](Cc1cccc(F)c1O)CCO2 ZINC001138126908 1033808475 /nfs/dbraw/zinc/80/84/75/1033808475.db2.gz MKXRFVFSQLGMAI-FQEVSTJZSA-N 1 2 374.412 2.632 20 10 FFCDLO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@@H+](Cc1cccc(F)c1O)CCO2 ZINC001138126908 1033808488 /nfs/dbraw/zinc/80/84/88/1033808488.db2.gz MKXRFVFSQLGMAI-FQEVSTJZSA-N 1 2 374.412 2.632 20 10 FFCDLO COC(=O)c1ccc(CN2CC[NH+](Cc3cccc(F)c3O)CC2)cc1 ZINC001138127507 1033811540 /nfs/dbraw/zinc/81/15/40/1033811540.db2.gz HDYXDGCAEUMJMO-UHFFFAOYSA-N 1 2 358.413 2.636 20 10 FFCDLO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cccc(F)c1O ZINC001138130515 1033817683 /nfs/dbraw/zinc/81/76/83/1033817683.db2.gz BMAMSWURNSMIIO-GOSISDBHSA-N 1 2 372.440 2.781 20 10 FFCDLO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cccc(F)c1O ZINC001138130515 1033817710 /nfs/dbraw/zinc/81/77/10/1033817710.db2.gz BMAMSWURNSMIIO-GOSISDBHSA-N 1 2 372.440 2.781 20 10 FFCDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(Cl)cc2O)C1=O ZINC001276967102 1033863269 /nfs/dbraw/zinc/86/32/69/1033863269.db2.gz CTWWYUZDYCBBNH-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(Cl)cc2O)C1=O ZINC001276967102 1033863282 /nfs/dbraw/zinc/86/32/82/1033863282.db2.gz CTWWYUZDYCBBNH-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681545 1035196689 /nfs/dbraw/zinc/19/66/89/1035196689.db2.gz SRSMUDIBDVTUAN-IBGZPJMESA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681545 1035196690 /nfs/dbraw/zinc/19/66/90/1035196690.db2.gz SRSMUDIBDVTUAN-IBGZPJMESA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681545 1035196691 /nfs/dbraw/zinc/19/66/91/1035196691.db2.gz SRSMUDIBDVTUAN-IBGZPJMESA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681545 1035196692 /nfs/dbraw/zinc/19/66/92/1035196692.db2.gz SRSMUDIBDVTUAN-IBGZPJMESA-N 1 2 354.441 2.993 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001139853842 1035255052 /nfs/dbraw/zinc/25/50/52/1035255052.db2.gz OTVJPWSKFLYANQ-UHFFFAOYSA-N 1 2 374.448 2.925 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001139853842 1035255055 /nfs/dbraw/zinc/25/50/55/1035255055.db2.gz OTVJPWSKFLYANQ-UHFFFAOYSA-N 1 2 374.448 2.925 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(O)cc3F)CC2)cc1 ZINC001140128676 1035350676 /nfs/dbraw/zinc/35/06/76/1035350676.db2.gz YMONKBQLCOZSGJ-UHFFFAOYSA-N 1 2 360.429 2.879 20 10 FFCDLO CC(C)CN1CC2(C[NH+](Cc3ccc4ccccc4c3O)C2)OCC1=O ZINC001277222604 1035621926 /nfs/dbraw/zinc/62/19/26/1035621926.db2.gz JZXKKQQEZYVZNU-UHFFFAOYSA-N 1 2 354.450 2.615 20 10 FFCDLO CCCCN1CC2(C[NH+](Cc3ccc4ccccc4c3O)C2)OCC1=O ZINC001277223238 1035628305 /nfs/dbraw/zinc/62/83/05/1035628305.db2.gz IPAVMLGSQBNBHL-UHFFFAOYSA-N 1 2 354.450 2.759 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231469 1035671521 /nfs/dbraw/zinc/67/15/21/1035671521.db2.gz CCYUEEZAXGIWGH-KPZWWZAWSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231469 1035671529 /nfs/dbraw/zinc/67/15/29/1035671529.db2.gz CCYUEEZAXGIWGH-KPZWWZAWSA-N 1 2 350.846 2.590 20 10 FFCDLO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232524 1035682113 /nfs/dbraw/zinc/68/21/13/1035682113.db2.gz SKMXPPAWNWMXFW-LJQANCHMSA-N 1 2 366.889 2.897 20 10 FFCDLO CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232524 1035682122 /nfs/dbraw/zinc/68/21/22/1035682122.db2.gz SKMXPPAWNWMXFW-LJQANCHMSA-N 1 2 366.889 2.897 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001233026939 1036264988 /nfs/dbraw/zinc/26/49/88/1036264988.db2.gz IMTQNAWLFHOJJP-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001233026939 1036264996 /nfs/dbraw/zinc/26/49/96/1036264996.db2.gz IMTQNAWLFHOJJP-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO CN1CC2(CC1=O)CC[NH+](Cc1c(O)cc(Br)cc1F)CC2 ZINC001233029762 1036265883 /nfs/dbraw/zinc/26/58/83/1036265883.db2.gz IGEHVVYCCYJDQM-UHFFFAOYSA-N 1 2 371.250 2.738 20 10 FFCDLO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cc(Br)cc2F)CC12CC2 ZINC001233032521 1036272328 /nfs/dbraw/zinc/27/23/28/1036272328.db2.gz HRHBSPXMTXQAKT-NSHDSACASA-N 1 2 358.207 2.679 20 10 FFCDLO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)cc(Br)cc2F)CC12CC2 ZINC001233032521 1036272339 /nfs/dbraw/zinc/27/23/39/1036272339.db2.gz HRHBSPXMTXQAKT-NSHDSACASA-N 1 2 358.207 2.679 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078374 1036327151 /nfs/dbraw/zinc/32/71/51/1036327151.db2.gz SZYRKDCFERVEDB-ZDUSSCGKSA-N 1 2 356.413 2.566 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078374 1036327170 /nfs/dbraw/zinc/32/71/70/1036327170.db2.gz SZYRKDCFERVEDB-ZDUSSCGKSA-N 1 2 356.413 2.566 20 10 FFCDLO CCOC(=O)c1c(C[N@H+]2[C@@H](C(=O)OC)[C@@H]3CC[C@H]2C3)c2ccccc2n1C ZINC001233273716 1036479927 /nfs/dbraw/zinc/47/99/27/1036479927.db2.gz OZEQTASHVKMEBL-QWQRMKEZSA-N 1 2 370.449 2.881 20 10 FFCDLO CCOC(=O)c1c(C[N@@H+]2[C@@H](C(=O)OC)[C@@H]3CC[C@H]2C3)c2ccccc2n1C ZINC001233273716 1036479928 /nfs/dbraw/zinc/47/99/28/1036479928.db2.gz OZEQTASHVKMEBL-QWQRMKEZSA-N 1 2 370.449 2.881 20 10 FFCDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277387432 1036674419 /nfs/dbraw/zinc/67/44/19/1036674419.db2.gz JFWIFQPWIDOISE-HZPDHXFCSA-N 1 2 370.852 2.787 20 10 FFCDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277387432 1036674423 /nfs/dbraw/zinc/67/44/23/1036674423.db2.gz JFWIFQPWIDOISE-HZPDHXFCSA-N 1 2 370.852 2.787 20 10 FFCDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)C1=O ZINC001277388417 1036680515 /nfs/dbraw/zinc/68/05/15/1036680515.db2.gz XJCGKJXZKYXDBM-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)C1=O ZINC001277388417 1036680521 /nfs/dbraw/zinc/68/05/21/1036680521.db2.gz XJCGKJXZKYXDBM-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO COc1cccc(C[NH+]2CCN(Cc3c(O)cc(OC)cc3OC)CC2)c1 ZINC001141029674 1036770197 /nfs/dbraw/zinc/77/01/97/1036770197.db2.gz ZLZJWOHDQUBOLW-UHFFFAOYSA-N 1 2 372.465 2.736 20 10 FFCDLO Cc1c(O)cc2c(c1O[C@@H]1C[NH+]3CCC1CC3)C(=O)c1ccccc1C2=O ZINC001229829351 1036923445 /nfs/dbraw/zinc/92/34/45/1036923445.db2.gz RFHSERJMNZKKLC-GOSISDBHSA-N 1 2 363.413 2.949 20 10 FFCDLO CC(C)[N@@H+]1CC[C@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234750119 1037167763 /nfs/dbraw/zinc/16/77/63/1037167763.db2.gz YTCCFJFCLYJOKV-LBPRGKRZSA-N 1 2 371.389 2.925 20 10 FFCDLO CC(C)[N@H+]1CC[C@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234750119 1037167775 /nfs/dbraw/zinc/16/77/75/1037167775.db2.gz YTCCFJFCLYJOKV-LBPRGKRZSA-N 1 2 371.389 2.925 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001235309832 1037466039 /nfs/dbraw/zinc/46/60/39/1037466039.db2.gz XRQDUOXZYYRRBM-LBPRGKRZSA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001235309832 1037466047 /nfs/dbraw/zinc/46/60/47/1037466047.db2.gz XRQDUOXZYYRRBM-LBPRGKRZSA-N 1 2 355.211 2.722 20 10 FFCDLO Cn1c(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc(=O)n1-c1ccccc1 ZINC001207728451 1037680250 /nfs/dbraw/zinc/68/02/50/1037680250.db2.gz KEDTXSLSQBAYPG-UHFFFAOYSA-N 1 2 361.804 2.964 20 10 FFCDLO O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911481 1038005763 /nfs/dbraw/zinc/00/57/63/1038005763.db2.gz MGPUNEWOCMACKJ-JXFKEZNVSA-N 1 2 371.868 2.969 20 10 FFCDLO O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911481 1038005780 /nfs/dbraw/zinc/00/57/80/1038005780.db2.gz MGPUNEWOCMACKJ-JXFKEZNVSA-N 1 2 371.868 2.969 20 10 FFCDLO O=C1N(C2COC2)CC[C@]12CCC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277994796 1038179563 /nfs/dbraw/zinc/17/95/63/1038179563.db2.gz GGGVECNAVICKLQ-QGZVFWFLSA-N 1 2 371.264 2.665 20 10 FFCDLO O=C1N(C2COC2)CC[C@]12CCC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277994796 1038179567 /nfs/dbraw/zinc/17/95/67/1038179567.db2.gz GGGVECNAVICKLQ-QGZVFWFLSA-N 1 2 371.264 2.665 20 10 FFCDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)c(Cl)cc2O)O1 ZINC001236790229 1038271314 /nfs/dbraw/zinc/27/13/14/1038271314.db2.gz NETCUOUZJZYOTI-BPLDGKMQSA-N 1 2 359.253 2.519 20 10 FFCDLO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)c(Cl)cc2O)O1 ZINC001236790229 1038271315 /nfs/dbraw/zinc/27/13/15/1038271315.db2.gz NETCUOUZJZYOTI-BPLDGKMQSA-N 1 2 359.253 2.519 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)c(Cl)c1 ZINC001236799274 1038276577 /nfs/dbraw/zinc/27/65/77/1038276577.db2.gz LQFRSVIVBKRRKU-UHFFFAOYSA-N 1 2 362.861 2.783 20 10 FFCDLO COc1ccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c(O)c1Cl ZINC001236813097 1038288531 /nfs/dbraw/zinc/28/85/31/1038288531.db2.gz IXQZUSJZHVCRFW-SQWLQELKSA-N 1 2 353.846 2.680 20 10 FFCDLO COc1ccc(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c(O)c1Cl ZINC001236813097 1038288534 /nfs/dbraw/zinc/28/85/34/1038288534.db2.gz IXQZUSJZHVCRFW-SQWLQELKSA-N 1 2 353.846 2.680 20 10 FFCDLO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3Cl)CC[C@@H]2C1 ZINC001237079616 1038438612 /nfs/dbraw/zinc/43/86/12/1038438612.db2.gz MWCDIWCWMPNVTG-MLGOLLRUSA-N 1 2 373.280 2.768 20 10 FFCDLO CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3Cl)CC[C@@H]2C1 ZINC001237079616 1038438616 /nfs/dbraw/zinc/43/86/16/1038438616.db2.gz MWCDIWCWMPNVTG-MLGOLLRUSA-N 1 2 373.280 2.768 20 10 FFCDLO COc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(O)c1I ZINC001248499020 1040301583 /nfs/dbraw/zinc/30/15/83/1040301583.db2.gz ZKWAARSIEOMRHH-GXSJLCMTSA-N 1 2 359.207 2.990 20 10 FFCDLO COc1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c(O)c1I ZINC001248499020 1040301602 /nfs/dbraw/zinc/30/16/02/1040301602.db2.gz ZKWAARSIEOMRHH-GXSJLCMTSA-N 1 2 359.207 2.990 20 10 FFCDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(C)c(Br)cc1O ZINC001250127065 1041122959 /nfs/dbraw/zinc/12/29/59/1041122959.db2.gz LQOSIDDAZQZUQK-PBWFPOADSA-N 1 2 356.260 2.841 20 10 FFCDLO Cc1cc(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c(O)cc1Br ZINC001250135675 1041126451 /nfs/dbraw/zinc/12/64/51/1041126451.db2.gz HZHTXLVSLGWRCQ-STQMWFEESA-N 1 2 369.303 2.757 20 10 FFCDLO Cc1cc(CN2CC([NH+]3C[C@H](C)O[C@@H](C)C3)C2)c(O)cc1Br ZINC001250135675 1041126458 /nfs/dbraw/zinc/12/64/58/1041126458.db2.gz HZHTXLVSLGWRCQ-STQMWFEESA-N 1 2 369.303 2.757 20 10 FFCDLO COCCOCN1CC2(C1)CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001279443151 1043119437 /nfs/dbraw/zinc/11/94/37/1043119437.db2.gz ZPRQFXONYQIWGY-UHFFFAOYSA-N 1 2 354.878 2.564 20 10 FFCDLO COCCOCN1CC2(C1)CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001279443151 1043119443 /nfs/dbraw/zinc/11/94/43/1043119443.db2.gz ZPRQFXONYQIWGY-UHFFFAOYSA-N 1 2 354.878 2.564 20 10 FFCDLO COc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3Cc2c[nH+]cn2C)c(C)c1 ZINC001278092987 1043137464 /nfs/dbraw/zinc/13/74/64/1043137464.db2.gz RPLJUDJRZSPOHV-RTBURBONSA-N 1 2 354.454 2.507 20 10 FFCDLO Oc1cc(O)c(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)cc1Cl ZINC001279573716 1043280816 /nfs/dbraw/zinc/28/08/16/1043280816.db2.gz XYQYWDNXJIZWBQ-UHFFFAOYSA-N 1 2 362.861 2.572 20 10 FFCDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(I)c1O ZINC001237776715 1043351141 /nfs/dbraw/zinc/35/11/41/1043351141.db2.gz KSRKEAASSFZVME-PHIMTYICSA-N 1 2 357.191 2.693 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)Nc2onc(C)c2C)c(O)c1 ZINC001279980861 1044028387 /nfs/dbraw/zinc/02/83/87/1044028387.db2.gz RTUCYDXHBWTLTH-IFXJQAMLSA-N 1 2 357.410 2.609 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)Nc2onc(C)c2C)c(O)c1 ZINC001279980861 1044028402 /nfs/dbraw/zinc/02/84/02/1044028402.db2.gz RTUCYDXHBWTLTH-IFXJQAMLSA-N 1 2 357.410 2.609 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1[N+](=O)[O-] ZINC001324759213 1046210199 /nfs/dbraw/zinc/21/01/99/1046210199.db2.gz FWLVAXRTPDKJPR-UHFFFAOYSA-N 1 2 359.338 2.776 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1[N+](=O)[O-] ZINC001324759213 1046210208 /nfs/dbraw/zinc/21/02/08/1046210208.db2.gz FWLVAXRTPDKJPR-UHFFFAOYSA-N 1 2 359.338 2.776 20 10 FFCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001296245062 1050041334 /nfs/dbraw/zinc/04/13/34/1050041334.db2.gz BKENFUYRRUNCRN-CQSZACIVSA-N 1 2 351.406 2.704 20 10 FFCDLO CNC(=O)c1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001308249070 1052436610 /nfs/dbraw/zinc/43/66/10/1052436610.db2.gz RFOFTLXDDFIZSP-UHFFFAOYSA-N 1 2 367.218 2.943 20 10 FFCDLO CCN(CC)c1ccc(CN(C)c2nnc(Cc3[nH+]ccn3C)n2C)cc1 ZINC001338058756 1055200783 /nfs/dbraw/zinc/20/07/83/1055200783.db2.gz GREMIYQPNSEHQR-UHFFFAOYSA-N 1 2 367.501 2.622 20 10 FFCDLO O=C(C[NH2+]Cc1cc(Br)cc(F)c1O)NC1CCCCC1 ZINC001461160225 1061230447 /nfs/dbraw/zinc/23/04/47/1061230447.db2.gz JICPLTVRZJRQNA-UHFFFAOYSA-N 1 2 359.239 2.832 20 10 FFCDLO Oc1cc(Br)ccc1C[NH2+]Cc1nc(C(F)(F)F)n[nH]1 ZINC001462691898 1061728890 /nfs/dbraw/zinc/72/88/90/1061728890.db2.gz WAACQGYSMAGVAF-UHFFFAOYSA-N 1 2 351.126 2.581 20 10 FFCDLO C[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589977739 1080917084 /nfs/dbraw/zinc/91/70/84/1080917084.db2.gz HPSLBGMZPFBAMR-SCLBCKFNSA-N 1 2 357.458 2.962 20 10 FFCDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000051475448 507772477 /nfs/dbraw/zinc/77/24/77/507772477.db2.gz YUWUQUNZIPAEQO-IBGZPJMESA-N 1 2 356.470 2.845 20 10 FFCDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000051475448 507772480 /nfs/dbraw/zinc/77/24/80/507772480.db2.gz YUWUQUNZIPAEQO-IBGZPJMESA-N 1 2 356.470 2.845 20 10 FFCDLO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000079121800 507934355 /nfs/dbraw/zinc/93/43/55/507934355.db2.gz HRRJNHQCWJPILK-UHFFFAOYSA-N 1 2 367.298 2.603 20 10 FFCDLO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000092473495 508073460 /nfs/dbraw/zinc/07/34/60/508073460.db2.gz XRFYSPVBQWYYFN-CQSZACIVSA-N 1 2 366.285 2.933 20 10 FFCDLO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000092473495 508073462 /nfs/dbraw/zinc/07/34/62/508073462.db2.gz XRFYSPVBQWYYFN-CQSZACIVSA-N 1 2 366.285 2.933 20 10 FFCDLO O=C(CCn1cc[nH+]c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203119 508147251 /nfs/dbraw/zinc/14/72/51/508147251.db2.gz IAYFMAZYUFAZBN-AWEZNQCLSA-N 1 2 364.396 2.660 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000121354509 509169100 /nfs/dbraw/zinc/16/91/00/509169100.db2.gz OYSDMKLWXUEGNZ-GOSISDBHSA-N 1 2 363.465 2.536 20 10 FFCDLO CC(=O)N1CCN(c2ccc(CNc3cc(C)[nH+]c(C4CC4)n3)cc2)CC1 ZINC000191858099 509216276 /nfs/dbraw/zinc/21/62/76/509216276.db2.gz YOGYQCKSDIWPTJ-UHFFFAOYSA-N 1 2 365.481 2.943 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265944201 510315998 /nfs/dbraw/zinc/31/59/98/510315998.db2.gz LYUBOVPASTXAJF-KRWDZBQOSA-N 1 2 351.454 2.875 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1F ZINC000297258806 510876156 /nfs/dbraw/zinc/87/61/56/510876156.db2.gz OZGNBUQLBXQHRN-INIZCTEOSA-N 1 2 359.449 2.918 20 10 FFCDLO CC(=O)N1CCN(c2ccc(CNc3cc[nH+]c4ccncc34)cc2)CC1 ZINC000276361295 510934322 /nfs/dbraw/zinc/93/43/22/510934322.db2.gz VTJIEOSXTUBYAE-UHFFFAOYSA-N 1 2 361.449 2.910 20 10 FFCDLO COc1cccc([C@@H](NC(=O)c2ccc(C)c(O)c2O)c2[nH+]ccn2C)c1 ZINC000360987157 510976202 /nfs/dbraw/zinc/97/62/02/510976202.db2.gz ZPDABCWQTNPAAT-MRXNPFEDSA-N 1 2 367.405 2.668 20 10 FFCDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000278777561 511006087 /nfs/dbraw/zinc/00/60/87/511006087.db2.gz VIISOVHKECKEBV-ZDUSSCGKSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000278777561 511006090 /nfs/dbraw/zinc/00/60/90/511006090.db2.gz VIISOVHKECKEBV-ZDUSSCGKSA-N 1 2 362.289 2.554 20 10 FFCDLO COc1c(O)c(CNc2ccc([NH+]3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000278866597 511011319 /nfs/dbraw/zinc/01/13/19/511011319.db2.gz MMRCVRHHCJBZOP-UHFFFAOYSA-N 1 2 373.409 2.882 20 10 FFCDLO CC[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Cl)cc(Cl)c1O ZINC000289714467 511112319 /nfs/dbraw/zinc/11/23/19/511112319.db2.gz JFOAITGZXPMZMN-CQSZACIVSA-N 1 2 359.257 2.914 20 10 FFCDLO COCc1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)no1 ZINC000298351877 511254435 /nfs/dbraw/zinc/25/44/35/511254435.db2.gz JUIFEQXNCDHEFB-KBPBESRZSA-N 1 2 363.433 2.864 20 10 FFCDLO Nc1nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)[nH+]c2ccccc12 ZINC000301790454 511701793 /nfs/dbraw/zinc/70/17/93/511701793.db2.gz QNBKNBMJOOKJDZ-UHFFFAOYSA-N 1 2 367.428 2.924 20 10 FFCDLO CCn1nc(C)c(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000296443891 511744717 /nfs/dbraw/zinc/74/47/17/511744717.db2.gz NVQACSFJKZDUMW-KBPBESRZSA-N 1 2 361.465 2.649 20 10 FFCDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](CC)c2ccc(F)cc2O)CC1 ZINC000296641013 511832977 /nfs/dbraw/zinc/83/29/77/511832977.db2.gz YCHOVOOLMTUUNR-MQNRADLISA-N 1 2 371.474 2.759 20 10 FFCDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3O)C2)nn1 ZINC000363905690 511842057 /nfs/dbraw/zinc/84/20/57/511842057.db2.gz DZVRESMLKWTRIA-NSHDSACASA-N 1 2 371.224 2.524 20 10 FFCDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3O)C2)nn1 ZINC000363905690 511842064 /nfs/dbraw/zinc/84/20/64/511842064.db2.gz DZVRESMLKWTRIA-NSHDSACASA-N 1 2 371.224 2.524 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000471616509 514956284 /nfs/dbraw/zinc/95/62/84/514956284.db2.gz BOWLVUVVPOREGF-UHFFFAOYSA-N 1 2 351.454 2.947 20 10 FFCDLO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2)c1Cl ZINC000898367591 735348401 /nfs/dbraw/zinc/34/84/01/735348401.db2.gz RSEQDVPCQORNTL-SNVBAGLBSA-N 1 2 373.215 2.702 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000079432496 728312957 /nfs/dbraw/zinc/31/29/57/728312957.db2.gz IEFBZCSVEGVBIC-AWEZNQCLSA-N 1 2 352.406 2.833 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000079432496 728312960 /nfs/dbraw/zinc/31/29/60/728312960.db2.gz IEFBZCSVEGVBIC-AWEZNQCLSA-N 1 2 352.406 2.833 20 10 FFCDLO O=C(CN1CC[NH+](Cc2c(O)cccc2Cl)CC1)NC1CCCCC1 ZINC000131292984 728721997 /nfs/dbraw/zinc/72/19/97/728721997.db2.gz UBBNQXZLXJWYSS-UHFFFAOYSA-N 1 2 365.905 2.612 20 10 FFCDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000131635221 728722712 /nfs/dbraw/zinc/72/27/12/728722712.db2.gz SWVWYSQOQSYVJY-AWEZNQCLSA-N 1 2 365.905 2.611 20 10 FFCDLO O=C(c1ccc(F)c(F)c1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778996339 738427871 /nfs/dbraw/zinc/42/78/71/738427871.db2.gz MCUVQEXCRYIISU-UHFFFAOYSA-N 1 2 350.340 2.768 20 10 FFCDLO O=C(C1CC1)N1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882886871 733308000 /nfs/dbraw/zinc/30/80/00/733308000.db2.gz QEAISHXKQCZDGW-UHFFFAOYSA-N 1 2 371.250 2.784 20 10 FFCDLO COCCOC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883018498 733321842 /nfs/dbraw/zinc/32/18/42/733321842.db2.gz GCRDMKFOPBRBHF-SECBINFHSA-N 1 2 352.656 2.949 20 10 FFCDLO OCC1([NH2+]Cc2cc(Br)cc(F)c2O)CCSCC1 ZINC000883144746 733341749 /nfs/dbraw/zinc/34/17/49/733341749.db2.gz ZJBOGUKQDLVYPG-UHFFFAOYSA-N 1 2 350.253 2.642 20 10 FFCDLO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708210877 734362936 /nfs/dbraw/zinc/36/29/36/734362936.db2.gz IHSBJSQOOSXWSO-AWEZNQCLSA-N 1 2 361.667 2.766 20 10 FFCDLO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708210877 734362940 /nfs/dbraw/zinc/36/29/40/734362940.db2.gz IHSBJSQOOSXWSO-AWEZNQCLSA-N 1 2 361.667 2.766 20 10 FFCDLO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC000894096669 734801066 /nfs/dbraw/zinc/80/10/66/734801066.db2.gz YLBFZYDCVFKSQI-LLVKDONJSA-N 1 2 359.239 2.594 20 10 FFCDLO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC000894096669 734801069 /nfs/dbraw/zinc/80/10/69/734801069.db2.gz YLBFZYDCVFKSQI-LLVKDONJSA-N 1 2 359.239 2.594 20 10 FFCDLO CN1CCC2(CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)C1=O ZINC000894576580 734882030 /nfs/dbraw/zinc/88/20/30/734882030.db2.gz WIBOPSLPJNHSBA-UHFFFAOYSA-N 1 2 371.250 2.738 20 10 FFCDLO CSCc1n[nH]c(C[NH2+]Cc2cc(Br)cc(C)c2O)n1 ZINC000895817551 735059464 /nfs/dbraw/zinc/05/94/64/735059464.db2.gz JZVGYVWHEJGETB-UHFFFAOYSA-N 1 2 357.277 2.734 20 10 FFCDLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)s1 ZINC000896971305 735190162 /nfs/dbraw/zinc/19/01/62/735190162.db2.gz OXLLQTGXNMQCSU-SNVBAGLBSA-N 1 2 354.378 2.903 20 10 FFCDLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)s1 ZINC000896971305 735190163 /nfs/dbraw/zinc/19/01/63/735190163.db2.gz OXLLQTGXNMQCSU-SNVBAGLBSA-N 1 2 354.378 2.903 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3sccc3C)CC2)cc1 ZINC000742917133 735263031 /nfs/dbraw/zinc/26/30/31/735263031.db2.gz RMJIWIWHDQTZJO-UHFFFAOYSA-N 1 2 359.495 2.617 20 10 FFCDLO CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CN1C(C)=O ZINC000752094600 735956603 /nfs/dbraw/zinc/95/66/03/735956603.db2.gz RPWHTULXRYDWBB-DLBZAZTESA-N 1 2 350.434 2.955 20 10 FFCDLO CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CN1C(C)=O ZINC000752094600 735956606 /nfs/dbraw/zinc/95/66/06/735956606.db2.gz RPWHTULXRYDWBB-DLBZAZTESA-N 1 2 350.434 2.955 20 10 FFCDLO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756410315 736328946 /nfs/dbraw/zinc/32/89/46/736328946.db2.gz GNTSQEOXZYVVNH-NSHDSACASA-N 1 2 362.442 2.525 20 10 FFCDLO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)c(F)cc1O ZINC000756758020 736359197 /nfs/dbraw/zinc/35/91/97/736359197.db2.gz DPMDOQURCSLTCJ-SNVBAGLBSA-N 1 2 362.239 2.734 20 10 FFCDLO O=C(Cn1c[nH+]c2c1CCCC2)NCc1cccc(Br)c1O ZINC000765756959 737155028 /nfs/dbraw/zinc/15/50/28/737155028.db2.gz PCZPOJFWQINDJY-UHFFFAOYSA-N 1 2 364.243 2.546 20 10 FFCDLO Oc1c(Br)cccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000787296306 739124075 /nfs/dbraw/zinc/12/40/75/739124075.db2.gz QXXINPFHPWVPHE-UHFFFAOYSA-N 1 2 364.243 2.988 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH2+]C2(c3ncccn3)CCOCC2)c1O ZINC000933344203 739607550 /nfs/dbraw/zinc/60/75/50/739607550.db2.gz YHPUYKQFXHSZLE-UHFFFAOYSA-N 1 2 361.829 2.834 20 10 FFCDLO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)cc(F)c1O ZINC000799727262 740445602 /nfs/dbraw/zinc/44/56/02/740445602.db2.gz BKKBAZLQMZDRGI-LILOVNGRSA-N 1 2 350.253 2.856 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000801734001 740646432 /nfs/dbraw/zinc/64/64/32/740646432.db2.gz PRKOASUHCYUBQA-CZUORRHYSA-N 1 2 370.287 2.812 20 10 FFCDLO CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Cl)c1O ZINC000806166024 741044833 /nfs/dbraw/zinc/04/48/33/741044833.db2.gz OEYCIJAMIFCZNW-DOMZBBRYSA-N 1 2 360.907 2.900 20 10 FFCDLO Oc1c(Cl)cc(Cl)cc1CNc1nc(N2CCOCC2)cc[nH+]1 ZINC000808089123 741184965 /nfs/dbraw/zinc/18/49/65/741184965.db2.gz HTPRIFTUXKKFLF-UHFFFAOYSA-N 1 2 355.225 2.938 20 10 FFCDLO O=C(Nc1nncs1)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000809734016 741337878 /nfs/dbraw/zinc/33/78/78/741337878.db2.gz QRSIAAHTNPIGFT-UHFFFAOYSA-N 1 2 370.837 2.887 20 10 FFCDLO COCC[C@H](COC)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000810256628 741402249 /nfs/dbraw/zinc/40/22/49/741402249.db2.gz CMPMFVPDTZEJLO-GXSJLCMTSA-N 1 2 350.228 2.996 20 10 FFCDLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816485017 742033337 /nfs/dbraw/zinc/03/33/37/742033337.db2.gz WPMJJGYMONDQKL-UHFFFAOYSA-N 1 2 371.884 2.561 20 10 FFCDLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816485017 742033344 /nfs/dbraw/zinc/03/33/44/742033344.db2.gz WPMJJGYMONDQKL-UHFFFAOYSA-N 1 2 371.884 2.561 20 10 FFCDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000824914317 743177688 /nfs/dbraw/zinc/17/76/88/743177688.db2.gz PEYKGOGOZGBOGE-ZDUSSCGKSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000824914317 743177692 /nfs/dbraw/zinc/17/76/92/743177692.db2.gz PEYKGOGOZGBOGE-ZDUSSCGKSA-N 1 2 362.289 2.554 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000827538897 743597399 /nfs/dbraw/zinc/59/73/99/743597399.db2.gz VPFUTYQUIXHBNW-HZPDHXFCSA-N 1 2 354.853 2.918 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000830579096 745387298 /nfs/dbraw/zinc/38/72/98/745387298.db2.gz TZMQESQVBLHOFQ-CQSZACIVSA-N 1 2 354.834 2.911 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000830579096 745387302 /nfs/dbraw/zinc/38/73/02/745387302.db2.gz TZMQESQVBLHOFQ-CQSZACIVSA-N 1 2 354.834 2.911 20 10 FFCDLO CO[C@@H](C)C(=[NH2+])NOC=C(O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000842035644 747506106 /nfs/dbraw/zinc/50/61/06/747506106.db2.gz DSIHQNOWZYGDCD-LBPRGKRZSA-N 1 2 364.833 2.859 20 10 FFCDLO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000848546574 748956362 /nfs/dbraw/zinc/95/63/62/748956362.db2.gz BPEBVJAPKOBHLE-IUCAKERBSA-N 1 2 355.236 2.704 20 10 FFCDLO CN(C)c1ccc(C[NH2+]Cc2nc(C(N)=O)cs2)c(C(F)(F)F)c1 ZINC000850384351 749356767 /nfs/dbraw/zinc/35/67/67/749356767.db2.gz SALSNLCRYLFYJC-UHFFFAOYSA-N 1 2 358.389 2.617 20 10 FFCDLO CN1CCCc2cc(CNC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)ccc21 ZINC000728747854 971051822 /nfs/dbraw/zinc/05/18/22/971051822.db2.gz OWYFSABQRXMBQW-GOSISDBHSA-N 1 2 353.470 2.812 20 10 FFCDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1Cc2cccc(O)c2C1 ZINC001175039534 1013376805 /nfs/dbraw/zinc/37/68/05/1013376805.db2.gz ZOAIQOXGOGXJCU-UHFFFAOYSA-N 1 2 350.334 2.642 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCCc3cccs3)CC2)cc1 ZINC000060992975 964948367 /nfs/dbraw/zinc/94/83/67/964948367.db2.gz WHNKQYIFTSHVTH-INIZCTEOSA-N 1 2 373.522 2.626 20 10 FFCDLO Cc1cc(C[N@H+]2CCN(c3cnn(C)c3)C(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000176170647 965568680 /nfs/dbraw/zinc/56/86/80/965568680.db2.gz ANMRGKZKEILHNP-UHFFFAOYSA-N 1 2 356.470 2.580 20 10 FFCDLO Cc1cc(C[N@@H+]2CCN(c3cnn(C)c3)C(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000176170647 965568695 /nfs/dbraw/zinc/56/86/95/965568695.db2.gz ANMRGKZKEILHNP-UHFFFAOYSA-N 1 2 356.470 2.580 20 10 FFCDLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000065698343 968245245 /nfs/dbraw/zinc/24/52/45/968245245.db2.gz ZVDZWGIZKBVZBE-QGZVFWFLSA-N 1 2 371.485 2.560 20 10 FFCDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255693188 968658074 /nfs/dbraw/zinc/65/80/74/968658074.db2.gz ILKMVOKALBYCLQ-UHFFFAOYSA-N 1 2 351.410 2.815 20 10 FFCDLO Oc1cc2c(cc1CN1CC[NH+](C/C=C\c3ccccc3)CC1)OCO2 ZINC000255839653 969016882 /nfs/dbraw/zinc/01/68/82/969016882.db2.gz BXODAPZCSQAWNZ-DAXSKMNVSA-N 1 2 352.434 2.952 20 10 FFCDLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)Cc3cccnc3N2C1 ZINC000895439579 970618003 /nfs/dbraw/zinc/61/80/03/970618003.db2.gz DHQJURMKEFNITF-HZPDHXFCSA-N 1 2 361.392 2.675 20 10 FFCDLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)Cc3cccnc3N2C1 ZINC000895439579 970618009 /nfs/dbraw/zinc/61/80/09/970618009.db2.gz DHQJURMKEFNITF-HZPDHXFCSA-N 1 2 361.392 2.675 20 10 FFCDLO Oc1ccc(C[C@@H](O)c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1O ZINC001211665892 974070366 /nfs/dbraw/zinc/07/03/66/974070366.db2.gz ZKHFORDLWPAUBU-QGZVFWFLSA-N 1 2 364.361 2.610 20 10 FFCDLO CN(C)c1ccc(C[N@H+](Cc2cn(C[C@@H]3CCCO3)nn2)C2CC2)cc1 ZINC000876570465 1014308327 /nfs/dbraw/zinc/30/83/27/1014308327.db2.gz CZUPSVOTPJPZFX-FQEVSTJZSA-N 1 2 355.486 2.688 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](Cc2cn(C[C@@H]3CCCO3)nn2)C2CC2)cc1 ZINC000876570465 1014308338 /nfs/dbraw/zinc/30/83/38/1014308338.db2.gz CZUPSVOTPJPZFX-FQEVSTJZSA-N 1 2 355.486 2.688 20 10 FFCDLO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(C3(N)CC3)no2)C1 ZINC000905327120 980419010 /nfs/dbraw/zinc/41/90/10/980419010.db2.gz VRBZJFGUDWPTRA-UHFFFAOYSA-N 1 2 351.454 2.787 20 10 FFCDLO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(C3(N)CC3)no2)C1 ZINC000905327120 980419012 /nfs/dbraw/zinc/41/90/12/980419012.db2.gz VRBZJFGUDWPTRA-UHFFFAOYSA-N 1 2 351.454 2.787 20 10 FFCDLO O=C1NCCC2(C[NH+](Cc3ccc(OCc4ccccc4)cc3O)C2)O1 ZINC000897751788 982494588 /nfs/dbraw/zinc/49/45/88/982494588.db2.gz UTFFEETVYUKOCJ-UHFFFAOYSA-N 1 2 354.406 2.656 20 10 FFCDLO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)C(F)(F)F ZINC000810851810 994956586 /nfs/dbraw/zinc/95/65/86/994956586.db2.gz BGDAPQQOMRZCEG-INIZCTEOSA-N 1 2 373.394 2.735 20 10 FFCDLO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H](F)C(F)(F)F ZINC000810851810 994956597 /nfs/dbraw/zinc/95/65/97/994956597.db2.gz BGDAPQQOMRZCEG-INIZCTEOSA-N 1 2 373.394 2.735 20 10 FFCDLO OC[C@@H]1CCCN(c2cc(NCc3c(O)ccc4c3CCCC4)[nH+]cn2)C1 ZINC000811808268 995258487 /nfs/dbraw/zinc/25/84/87/995258487.db2.gz BOAZJGXSBWXBGQ-OAHLLOKOSA-N 1 2 368.481 2.882 20 10 FFCDLO OC[C@@H]1CCCN(c2cc(NCc3c(O)ccc4c3CCCC4)nc[nH+]2)C1 ZINC000811808268 995258497 /nfs/dbraw/zinc/25/84/97/995258497.db2.gz BOAZJGXSBWXBGQ-OAHLLOKOSA-N 1 2 368.481 2.882 20 10 FFCDLO COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccc4[nH+]ccn4c3)C2)cc1 ZINC000824199859 996834283 /nfs/dbraw/zinc/83/42/83/996834283.db2.gz UWTVYOAWXBPZGR-HNNXBMFYSA-N 1 2 365.437 2.991 20 10 FFCDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000844392128 997851717 /nfs/dbraw/zinc/85/17/17/997851717.db2.gz HUGUUCCVORPULL-RBUKOAKNSA-N 1 2 356.466 2.667 20 10 FFCDLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000844392128 997851724 /nfs/dbraw/zinc/85/17/24/997851724.db2.gz HUGUUCCVORPULL-RBUKOAKNSA-N 1 2 356.466 2.667 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1)C1CC1 ZINC001144299624 998287190 /nfs/dbraw/zinc/28/71/90/998287190.db2.gz CRPYPGKHVROXRF-UHFFFAOYSA-N 1 2 371.250 2.784 20 10 FFCDLO O=C(NCc1ccc(O)cc1O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000827653651 999518131 /nfs/dbraw/zinc/51/81/31/999518131.db2.gz VXJJUABGMXXQJG-GOSISDBHSA-N 1 2 358.463 2.504 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000745655384 999924113 /nfs/dbraw/zinc/92/41/13/999924113.db2.gz JFMRTJMTLYJJEI-FQEVSTJZSA-N 1 2 374.529 2.539 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1 ZINC000792897126 1003221687 /nfs/dbraw/zinc/22/16/87/1003221687.db2.gz UYLGBOMFKHUKBY-UHFFFAOYSA-N 1 2 373.522 2.561 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1 ZINC000792897126 1003221691 /nfs/dbraw/zinc/22/16/91/1003221691.db2.gz UYLGBOMFKHUKBY-UHFFFAOYSA-N 1 2 373.522 2.561 20 10 FFCDLO C[NH+]1CCN(C(=O)Cc2cccc(NCc3cccc(Cl)c3O)c2)CC1 ZINC000775757540 1004054993 /nfs/dbraw/zinc/05/49/93/1004054993.db2.gz IIKMPCVBSYZHRG-UHFFFAOYSA-N 1 2 373.884 2.974 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)N3CCC(n4cc[nH+]c4)CC3)C2)cc1 ZINC000854300919 1006766346 /nfs/dbraw/zinc/76/63/46/1006766346.db2.gz DHCQXHGQPVYCJU-MRXNPFEDSA-N 1 2 369.469 2.517 20 10 FFCDLO COc1ccc(O)c(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000114542384 1007952227 /nfs/dbraw/zinc/95/22/27/1007952227.db2.gz OJHFITKBWGFDSW-LJQANCHMSA-N 1 2 372.490 2.807 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N3[C@H](C)CCC[C@@H]3C)CC2)cc1F ZINC000122106430 1011240383 /nfs/dbraw/zinc/24/03/83/1011240383.db2.gz CPTGGRJMVASGMI-IYBDPMFKSA-N 1 2 363.477 2.746 20 10 FFCDLO CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229346 1012108474 /nfs/dbraw/zinc/10/84/74/1012108474.db2.gz KBOAQFQNAKYAHY-IBGZPJMESA-N 1 2 366.408 2.812 20 10 FFCDLO CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229346 1012108494 /nfs/dbraw/zinc/10/84/94/1012108494.db2.gz KBOAQFQNAKYAHY-IBGZPJMESA-N 1 2 366.408 2.812 20 10 FFCDLO COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229437 1012109687 /nfs/dbraw/zinc/10/96/87/1012109687.db2.gz MBAJKOHJWRMAFM-LJQANCHMSA-N 1 2 368.424 2.520 20 10 FFCDLO COC(C)(C)CN1CC[C@@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229437 1012109696 /nfs/dbraw/zinc/10/96/96/1012109696.db2.gz MBAJKOHJWRMAFM-LJQANCHMSA-N 1 2 368.424 2.520 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CC3(C2)COCC(=O)N3CC(C)C)cc1 ZINC001275598543 1012675677 /nfs/dbraw/zinc/67/56/77/1012675677.db2.gz RJWQSNLBULQJEL-UHFFFAOYSA-N 1 2 359.514 2.602 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000777511530 1017236063 /nfs/dbraw/zinc/23/60/63/1017236063.db2.gz YDKJTPTYZBGNBE-SFHVURJKSA-N 1 2 367.497 2.934 20 10 FFCDLO CC[N@H+](CCOCCO)CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000800427734 1020309375 /nfs/dbraw/zinc/30/93/75/1020309375.db2.gz BJFHJVPELDTGPC-UHFFFAOYSA-N 1 2 362.445 2.747 20 10 FFCDLO CC[N@@H+](CCOCCO)CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000800427734 1020309381 /nfs/dbraw/zinc/30/93/81/1020309381.db2.gz BJFHJVPELDTGPC-UHFFFAOYSA-N 1 2 362.445 2.747 20 10 FFCDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117638849 1021789968 /nfs/dbraw/zinc/78/99/68/1021789968.db2.gz UJYZELKRULFFPP-UHFFFAOYSA-N 1 2 372.488 2.621 20 10 FFCDLO COCC[N@H+](Cc1cccnc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117638849 1021789984 /nfs/dbraw/zinc/78/99/84/1021789984.db2.gz UJYZELKRULFFPP-UHFFFAOYSA-N 1 2 372.488 2.621 20 10 FFCDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117638849 1021789998 /nfs/dbraw/zinc/78/99/98/1021789998.db2.gz UJYZELKRULFFPP-UHFFFAOYSA-N 1 2 372.488 2.621 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c(C)n1-c1ccc(F)cn1 ZINC000829108214 1033012187 /nfs/dbraw/zinc/01/21/87/1033012187.db2.gz VPVBETCTMCHMST-GOSISDBHSA-N 1 2 359.445 2.904 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)c(C)n1-c1ccc(F)cn1 ZINC000829108214 1033012201 /nfs/dbraw/zinc/01/22/01/1033012201.db2.gz VPVBETCTMCHMST-GOSISDBHSA-N 1 2 359.445 2.904 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCc3ccccc3C)CC2)cc1 ZINC000042289928 1022161241 /nfs/dbraw/zinc/16/12/41/1022161241.db2.gz JVTFKIBXVYOAEJ-SFHVURJKSA-N 1 2 367.493 2.831 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(CCc3ccccc3)CC2)cc1OC ZINC000159587242 1022728754 /nfs/dbraw/zinc/72/87/54/1022728754.db2.gz RDSXQBFDXZKBML-UHFFFAOYSA-N 1 2 356.466 2.770 20 10 FFCDLO CO[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1 ZINC000752320012 1023115546 /nfs/dbraw/zinc/11/55/46/1023115546.db2.gz FMFOJLOEHHWWQX-INIZCTEOSA-N 1 2 356.422 2.726 20 10 FFCDLO CO[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1 ZINC000752320012 1023115550 /nfs/dbraw/zinc/11/55/50/1023115550.db2.gz FMFOJLOEHHWWQX-INIZCTEOSA-N 1 2 356.422 2.726 20 10 FFCDLO CN1CCOc2cc(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)ccc21 ZINC001141146244 1025522449 /nfs/dbraw/zinc/52/24/49/1025522449.db2.gz PQOLTXHUIAACOU-GOSISDBHSA-N 1 2 351.441 2.821 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000092589756 1027374715 /nfs/dbraw/zinc/37/47/15/1027374715.db2.gz KMXFMKXIZXYVCQ-UHFFFAOYSA-N 1 2 359.420 2.989 20 10 FFCDLO Cc1nc(-n2cncn2)cc(NCc2cc(Cl)c3cccnc3c2O)[nH+]1 ZINC001157727335 1029652194 /nfs/dbraw/zinc/65/21/94/1029652194.db2.gz JZIIUVGKFBZNRO-UHFFFAOYSA-N 1 2 367.800 2.885 20 10 FFCDLO CN(C(=O)CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1)c1ccccc1 ZINC001203664602 1030813431 /nfs/dbraw/zinc/81/34/31/1030813431.db2.gz MQVDQMKWYCXKRW-UHFFFAOYSA-N 1 2 373.884 2.826 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(C)n1-c1ccccc1 ZINC000799179937 1031681330 /nfs/dbraw/zinc/68/13/30/1031681330.db2.gz BMZYSJWZVYMDPS-APWZRJJASA-N 1 2 367.449 2.707 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(C)n1-c1ccccc1 ZINC000799179937 1031681341 /nfs/dbraw/zinc/68/13/41/1031681341.db2.gz BMZYSJWZVYMDPS-APWZRJJASA-N 1 2 367.449 2.707 20 10 FFCDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001219204242 1033554021 /nfs/dbraw/zinc/55/40/21/1033554021.db2.gz VZLJWJHGHDRHTB-PXPVJAHISA-N 1 2 367.449 2.752 20 10 FFCDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(F)c1O ZINC001276949339 1033730675 /nfs/dbraw/zinc/73/06/75/1033730675.db2.gz RDZIVCBMVDPOHJ-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)c(F)c1O ZINC001276949339 1033730692 /nfs/dbraw/zinc/73/06/92/1033730692.db2.gz RDZIVCBMVDPOHJ-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1c(C)n(C)c2ccccc21 ZINC001138256708 1034026915 /nfs/dbraw/zinc/02/69/15/1034026915.db2.gz HNYGTJOGDNKWIB-UHFFFAOYSA-N 1 2 360.454 2.805 20 10 FFCDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1c(C)n(C)c2ccccc21 ZINC001138256708 1034026927 /nfs/dbraw/zinc/02/69/27/1034026927.db2.gz HNYGTJOGDNKWIB-UHFFFAOYSA-N 1 2 360.454 2.805 20 10 FFCDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H](C)C1 ZINC000832120788 1034577637 /nfs/dbraw/zinc/57/76/37/1034577637.db2.gz FETRAUWXLUNUHI-KRWDZBQOSA-N 1 2 367.493 2.943 20 10 FFCDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H](C)C1 ZINC000832120788 1034577647 /nfs/dbraw/zinc/57/76/47/1034577647.db2.gz FETRAUWXLUNUHI-KRWDZBQOSA-N 1 2 367.493 2.943 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc4ccccc4n3)CC2)c(OC)c1 ZINC001138868208 1034760407 /nfs/dbraw/zinc/76/04/07/1034760407.db2.gz XIVMRWQJDZKEBJ-UHFFFAOYSA-N 1 2 364.449 2.969 20 10 FFCDLO CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001226735378 1034814487 /nfs/dbraw/zinc/81/44/87/1034814487.db2.gz XHMLPGUSPNNYOZ-KRWDZBQOSA-N 1 2 353.470 2.640 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(Cc2ccccn2)CC1 ZINC001139124875 1034955077 /nfs/dbraw/zinc/95/50/77/1034955077.db2.gz GQZMGICSSYQAII-UHFFFAOYSA-N 1 2 365.433 2.520 20 10 FFCDLO CCN1CC[C@@]2(CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)C1=O ZINC001139127523 1034956951 /nfs/dbraw/zinc/95/69/51/1034956951.db2.gz KZPZUVBVCHOVBA-OAQYLSRUSA-N 1 2 370.449 2.641 20 10 FFCDLO CCN1CC[C@@]2(CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)C1=O ZINC001139127523 1034956954 /nfs/dbraw/zinc/95/69/54/1034956954.db2.gz KZPZUVBVCHOVBA-OAQYLSRUSA-N 1 2 370.449 2.641 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)CCc1noc(C(C)C)n1 ZINC001139126719 1034957036 /nfs/dbraw/zinc/95/70/36/1034957036.db2.gz NTOGQNYPRIEKFX-UHFFFAOYSA-N 1 2 357.410 2.988 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)CCc1noc(C(C)C)n1 ZINC001139126719 1034957041 /nfs/dbraw/zinc/95/70/41/1034957041.db2.gz NTOGQNYPRIEKFX-UHFFFAOYSA-N 1 2 357.410 2.988 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001139129062 1034958714 /nfs/dbraw/zinc/95/87/14/1034958714.db2.gz NAIRMMHMMGRVOA-KRWDZBQOSA-N 1 2 370.449 2.784 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001139129062 1034958718 /nfs/dbraw/zinc/95/87/18/1034958718.db2.gz NAIRMMHMMGRVOA-KRWDZBQOSA-N 1 2 370.449 2.784 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)Cc2c1cnn2C ZINC001232257352 1035528160 /nfs/dbraw/zinc/52/81/60/1035528160.db2.gz CPIVUNXZZKHEJJ-GFCCVEGCSA-N 1 2 351.834 2.621 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)Cc2c1cnn2C ZINC001232257352 1035528167 /nfs/dbraw/zinc/52/81/67/1035528167.db2.gz CPIVUNXZZKHEJJ-GFCCVEGCSA-N 1 2 351.834 2.621 20 10 FFCDLO CCCCN1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277231921 1035674841 /nfs/dbraw/zinc/67/48/41/1035674841.db2.gz HVQHQQPHRSNDHB-SFHVURJKSA-N 1 2 352.862 2.649 20 10 FFCDLO CCCCN1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277231921 1035674844 /nfs/dbraw/zinc/67/48/44/1035674844.db2.gz HVQHQQPHRSNDHB-SFHVURJKSA-N 1 2 352.862 2.649 20 10 FFCDLO Cn1cncc1CN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277232094 1035676234 /nfs/dbraw/zinc/67/62/34/1035676234.db2.gz KJMXPETUVFKESP-IBGZPJMESA-N 1 2 374.872 2.546 20 10 FFCDLO Cn1cncc1CN1CC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277232094 1035676243 /nfs/dbraw/zinc/67/62/43/1035676243.db2.gz KJMXPETUVFKESP-IBGZPJMESA-N 1 2 374.872 2.546 20 10 FFCDLO Fc1cccnc1N1CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140667115 1035825469 /nfs/dbraw/zinc/82/54/69/1035825469.db2.gz IDOXCEZTOUUITO-UHFFFAOYSA-N 1 2 374.435 2.519 20 10 FFCDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015430 1036252601 /nfs/dbraw/zinc/25/26/01/1036252601.db2.gz NLDWBQBZYXUEGL-DGCLKSJQSA-N 1 2 352.431 2.539 20 10 FFCDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015430 1036252609 /nfs/dbraw/zinc/25/26/09/1036252609.db2.gz NLDWBQBZYXUEGL-DGCLKSJQSA-N 1 2 352.431 2.539 20 10 FFCDLO C[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CCCN1C(=O)OC(C)(C)C ZINC001233015549 1036253204 /nfs/dbraw/zinc/25/32/04/1036253204.db2.gz RWXZLQAMXLQLHG-LBPRGKRZSA-N 1 2 352.431 2.635 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CCCN1C(=O)OC(C)(C)C ZINC001233015549 1036253219 /nfs/dbraw/zinc/25/32/19/1036253219.db2.gz RWXZLQAMXLQLHG-LBPRGKRZSA-N 1 2 352.431 2.635 20 10 FFCDLO O=c1ccc2c([nH]1)CC[N@@H+](Cc1c(O)cc(Br)cc1F)CC2 ZINC001233030545 1036269950 /nfs/dbraw/zinc/26/99/50/1036269950.db2.gz XFEGHARTPJHEHY-UHFFFAOYSA-N 1 2 367.218 2.995 20 10 FFCDLO O=c1ccc2c([nH]1)CC[N@H+](Cc1c(O)cc(Br)cc1F)CC2 ZINC001233030545 1036269967 /nfs/dbraw/zinc/26/99/67/1036269967.db2.gz XFEGHARTPJHEHY-UHFFFAOYSA-N 1 2 367.218 2.995 20 10 FFCDLO Oc1c(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)ccc(F)c1F ZINC001233076866 1036321910 /nfs/dbraw/zinc/32/19/10/1036321910.db2.gz WFMHOVWOKYQTLJ-BXWFABGCSA-N 1 2 362.376 2.876 20 10 FFCDLO Oc1c(C[N@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)ccc(F)c1F ZINC001233076866 1036321927 /nfs/dbraw/zinc/32/19/27/1036321927.db2.gz WFMHOVWOKYQTLJ-BXWFABGCSA-N 1 2 362.376 2.876 20 10 FFCDLO COC(=O)c1cnc2c(c1)C[N@@H+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001233291209 1036495313 /nfs/dbraw/zinc/49/53/13/1036495313.db2.gz QMZYPVGWJGMKJT-UHFFFAOYSA-N 1 2 362.813 2.794 20 10 FFCDLO COC(=O)c1cnc2c(c1)C[N@H+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001233291209 1036495318 /nfs/dbraw/zinc/49/53/18/1036495318.db2.gz QMZYPVGWJGMKJT-UHFFFAOYSA-N 1 2 362.813 2.794 20 10 FFCDLO O=C(Cc1ccccc1)N1CCC[N@@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233335920 1036540992 /nfs/dbraw/zinc/54/09/92/1036540992.db2.gz RFQLFYAXSJVDRB-UHFFFAOYSA-N 1 2 360.404 2.947 20 10 FFCDLO O=C(Cc1ccccc1)N1CCC[N@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233335920 1036540998 /nfs/dbraw/zinc/54/09/98/1036540998.db2.gz RFQLFYAXSJVDRB-UHFFFAOYSA-N 1 2 360.404 2.947 20 10 FFCDLO O=C(N1CCCC1)C12CC(C1)C[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233417589 1036610396 /nfs/dbraw/zinc/61/03/96/1036610396.db2.gz ZYQJCVNWVWTBLM-UHFFFAOYSA-N 1 2 354.372 2.998 20 10 FFCDLO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001233417589 1036610408 /nfs/dbraw/zinc/61/04/08/1036610408.db2.gz ZYQJCVNWVWTBLM-UHFFFAOYSA-N 1 2 354.372 2.998 20 10 FFCDLO CC(C)CN1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387590 1036675405 /nfs/dbraw/zinc/67/54/05/1036675405.db2.gz LENRCEWCRJFJRF-SFHVURJKSA-N 1 2 370.852 2.644 20 10 FFCDLO CC(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387590 1036675414 /nfs/dbraw/zinc/67/54/14/1036675414.db2.gz LENRCEWCRJFJRF-SFHVURJKSA-N 1 2 370.852 2.644 20 10 FFCDLO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141030935 1036776062 /nfs/dbraw/zinc/77/60/62/1036776062.db2.gz RFLANOYZPDTRRE-UHFFFAOYSA-N 1 2 366.458 2.899 20 10 FFCDLO Cc1c(O)cc2c(c1O[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccccc1C2=O ZINC001229828646 1036922030 /nfs/dbraw/zinc/92/20/30/1036922030.db2.gz BMNOEDNRJSCZPD-CYBMUJFWSA-N 1 2 351.402 2.949 20 10 FFCDLO Cc1c(O)cc2c(c1O[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1C2=O ZINC001229828646 1036922045 /nfs/dbraw/zinc/92/20/45/1036922045.db2.gz BMNOEDNRJSCZPD-CYBMUJFWSA-N 1 2 351.402 2.949 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300907 1037461782 /nfs/dbraw/zinc/46/17/82/1037461782.db2.gz AVJLJUIWBOUHOI-GXSJLCMTSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300907 1037461791 /nfs/dbraw/zinc/46/17/91/1037461791.db2.gz AVJLJUIWBOUHOI-GXSJLCMTSA-N 1 2 360.223 2.925 20 10 FFCDLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(F)cc(Br)c2O)C1 ZINC001235305664 1037463793 /nfs/dbraw/zinc/46/37/93/1037463793.db2.gz PGRCDUJFTNWEGV-CYBMUJFWSA-N 1 2 359.239 2.737 20 10 FFCDLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(F)cc(Br)c2O)C1 ZINC001235305664 1037463800 /nfs/dbraw/zinc/46/38/00/1037463800.db2.gz PGRCDUJFTNWEGV-CYBMUJFWSA-N 1 2 359.239 2.737 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001235305953 1037464568 /nfs/dbraw/zinc/46/45/68/1037464568.db2.gz BEFQMDYKYQOYHD-GFCCVEGCSA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001235305953 1037464577 /nfs/dbraw/zinc/46/45/77/1037464577.db2.gz BEFQMDYKYQOYHD-GFCCVEGCSA-N 1 2 368.206 2.737 20 10 FFCDLO COC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236814284 1038287787 /nfs/dbraw/zinc/28/77/87/1038287787.db2.gz UXUIPICCPIJPEW-GFCCVEGCSA-N 1 2 351.834 2.529 20 10 FFCDLO COC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236814284 1038287797 /nfs/dbraw/zinc/28/77/97/1038287797.db2.gz UXUIPICCPIJPEW-GFCCVEGCSA-N 1 2 351.834 2.529 20 10 FFCDLO CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c(O)c1 ZINC001237042758 1038419977 /nfs/dbraw/zinc/41/99/77/1038419977.db2.gz GWUJGRWEYBDOFL-LSDHHAIUSA-N 1 2 354.422 2.838 20 10 FFCDLO CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c(O)c1 ZINC001237042758 1038419981 /nfs/dbraw/zinc/41/99/81/1038419981.db2.gz GWUJGRWEYBDOFL-LSDHHAIUSA-N 1 2 354.422 2.838 20 10 FFCDLO O=C(NC1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1)C1CCOCC1 ZINC001237125810 1038450436 /nfs/dbraw/zinc/45/04/36/1038450436.db2.gz FOSKRSGWXIAPAZ-UHFFFAOYSA-N 1 2 370.852 2.692 20 10 FFCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc[nH]1 ZINC001279074771 1039174930 /nfs/dbraw/zinc/17/49/30/1039174930.db2.gz YVHVVVSLSXOINS-GJZGRUSLSA-N 1 2 361.829 2.568 20 10 FFCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc[nH]1 ZINC001279074771 1039174933 /nfs/dbraw/zinc/17/49/33/1039174933.db2.gz YVHVVVSLSXOINS-GJZGRUSLSA-N 1 2 361.829 2.568 20 10 FFCDLO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261073583 1040979854 /nfs/dbraw/zinc/97/98/54/1040979854.db2.gz ZTIBRAAUJFEPCZ-UHFFFAOYSA-N 1 2 366.830 2.739 20 10 FFCDLO CC(=O)Nc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2ccccc2O)cc1 ZINC001278551526 1041114206 /nfs/dbraw/zinc/11/42/06/1041114206.db2.gz IXVQBQQLXDWCOX-BGYRXZFFSA-N 1 2 351.450 2.809 20 10 FFCDLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2ccccc2O)cc1 ZINC001278551526 1041114216 /nfs/dbraw/zinc/11/42/16/1041114216.db2.gz IXVQBQQLXDWCOX-BGYRXZFFSA-N 1 2 351.450 2.809 20 10 FFCDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+]3Cc2ccc(Cl)cc2O)CCC1 ZINC001278553597 1041128267 /nfs/dbraw/zinc/12/82/67/1041128267.db2.gz DKEDVXRHYAAFMJ-IYBDPMFKSA-N 1 2 364.873 2.790 20 10 FFCDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2ccc(Cl)cc2O)CCC1 ZINC001278553597 1041128283 /nfs/dbraw/zinc/12/82/83/1041128283.db2.gz DKEDVXRHYAAFMJ-IYBDPMFKSA-N 1 2 364.873 2.790 20 10 FFCDLO CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001278606333 1041397698 /nfs/dbraw/zinc/39/76/98/1041397698.db2.gz WBAXRDHVBKVJEA-AGUYFDCRSA-N 1 2 353.413 2.873 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001279430382 1043104905 /nfs/dbraw/zinc/10/49/05/1043104905.db2.gz DRQKKVVDFXCGPM-BGYRXZFFSA-N 1 2 354.498 2.938 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001279430382 1043104910 /nfs/dbraw/zinc/10/49/10/1043104910.db2.gz DRQKKVVDFXCGPM-BGYRXZFFSA-N 1 2 354.498 2.938 20 10 FFCDLO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001279442062 1043116978 /nfs/dbraw/zinc/11/69/78/1043116978.db2.gz KNIPYDXOBOGQSD-LJQANCHMSA-N 1 2 368.905 2.954 20 10 FFCDLO COCCOCN1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001279442062 1043116982 /nfs/dbraw/zinc/11/69/82/1043116982.db2.gz KNIPYDXOBOGQSD-LJQANCHMSA-N 1 2 368.905 2.954 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c(O)c1Cl ZINC001279665354 1043430324 /nfs/dbraw/zinc/43/03/24/1043430324.db2.gz JELBNIZDSAJPKN-GXTWGEPZSA-N 1 2 367.877 2.678 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c(O)c1Cl ZINC001279665354 1043430328 /nfs/dbraw/zinc/43/03/28/1043430328.db2.gz JELBNIZDSAJPKN-GXTWGEPZSA-N 1 2 367.877 2.678 20 10 FFCDLO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4cc(F)c(Cl)cc4O)C[C@H]3O2)n1 ZINC001237936536 1043443958 /nfs/dbraw/zinc/44/39/58/1043443958.db2.gz JBPPSWRBCQAEFR-MQIPJXDCSA-N 1 2 367.808 2.708 20 10 FFCDLO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4cc(F)c(Cl)cc4O)C[C@H]3O2)n1 ZINC001237936536 1043443970 /nfs/dbraw/zinc/44/39/70/1043443970.db2.gz JBPPSWRBCQAEFR-MQIPJXDCSA-N 1 2 367.808 2.708 20 10 FFCDLO Cc1cc(Br)cc(CN2CCC[C@@]3(C2)C[N@@H+](C)CCO3)c1O ZINC001279698969 1043492127 /nfs/dbraw/zinc/49/21/27/1043492127.db2.gz FNGQYWSBGDZJNW-KRWDZBQOSA-N 1 2 369.303 2.760 20 10 FFCDLO Cc1cc(C[NH+]2CC3(C2)CC[C@H](C(=O)NC(C)(C)C)O3)ccc1N(C)C ZINC001279733215 1043550278 /nfs/dbraw/zinc/55/02/78/1043550278.db2.gz KSWXSISEWLFDCK-GOSISDBHSA-N 1 2 359.514 2.709 20 10 FFCDLO Cc1cc(CN2CCC[C@@]3(C2)C[N@H+](C)CCO3)c(O)cc1Br ZINC001279823647 1043712190 /nfs/dbraw/zinc/71/21/90/1043712190.db2.gz JZDQUQRNGUSJAE-KRWDZBQOSA-N 1 2 369.303 2.760 20 10 FFCDLO Cc1cc(CN2CCC[C@@]3(C2)C[N@@H+](C)CCO3)c(O)cc1Br ZINC001279823647 1043712199 /nfs/dbraw/zinc/71/21/99/1043712199.db2.gz JZDQUQRNGUSJAE-KRWDZBQOSA-N 1 2 369.303 2.760 20 10 FFCDLO CCN(C(=O)c1cc2c([nH]1)C[N@H+](Cc1cc(O)ccc1O)CC2)C(C)C ZINC001280083149 1044185108 /nfs/dbraw/zinc/18/51/08/1044185108.db2.gz MHEGKJLWIQUDBJ-UHFFFAOYSA-N 1 2 357.454 2.855 20 10 FFCDLO CCN(C(=O)c1cc2c([nH]1)C[N@@H+](Cc1cc(O)ccc1O)CC2)C(C)C ZINC001280083149 1044185109 /nfs/dbraw/zinc/18/51/09/1044185109.db2.gz MHEGKJLWIQUDBJ-UHFFFAOYSA-N 1 2 357.454 2.855 20 10 FFCDLO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cc(OC)nnc2OC)n1C ZINC001240323246 1044313380 /nfs/dbraw/zinc/31/33/80/1044313380.db2.gz HTTISKAMHGHFTE-UHFFFAOYSA-N 1 2 356.382 2.533 20 10 FFCDLO COC(=O)/C=C/c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000728566505 1046431839 /nfs/dbraw/zinc/43/18/39/1046431839.db2.gz HNAZMNMCLPGJIL-KEDPEKRHSA-N 1 2 356.382 2.819 20 10 FFCDLO Cc1nnc(N(C)Cc2ccccc2O)n1CCCNc1cccc[nH+]1 ZINC001290719241 1048341617 /nfs/dbraw/zinc/34/16/17/1048341617.db2.gz NWDTYRXVBOKPGL-UHFFFAOYSA-N 1 2 352.442 2.826 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c1 ZINC001333980358 1049190046 /nfs/dbraw/zinc/19/00/46/1049190046.db2.gz QCIJDVKSUINWIF-KRWDZBQOSA-N 1 2 372.856 2.944 20 10 FFCDLO Cn1c[nH+]cc1C1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC001347325833 1053844528 /nfs/dbraw/zinc/84/45/28/1053844528.db2.gz CTTYPMHRYCSFDV-UHFFFAOYSA-N 1 2 367.497 2.892 20 10 FFCDLO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1[O-] ZINC001353604028 1056570402 /nfs/dbraw/zinc/57/04/02/1056570402.db2.gz FSKYJSGDHCJFKV-UHFFFAOYSA-N 1 2 369.849 2.687 20 10 FFCDLO NC(=O)Cc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC001461553306 1061347459 /nfs/dbraw/zinc/34/74/59/1061347459.db2.gz POQVOXGWPCJQPG-UHFFFAOYSA-N 1 2 367.218 2.611 20 10 FFCDLO NC(=O)[C@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)c1ccccn1 ZINC001474157613 1065464021 /nfs/dbraw/zinc/46/40/21/1065464021.db2.gz VIWCBTASWYBROZ-JOCHJYFZSA-N 1 2 372.472 2.961 20 10 FFCDLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC001560693472 1076291705 /nfs/dbraw/zinc/29/17/05/1076291705.db2.gz JDZKQBNGXPGGHP-IUCAKERBSA-N 1 2 361.667 2.894 20 10 FFCDLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC001560693472 1076291708 /nfs/dbraw/zinc/29/17/08/1076291708.db2.gz JDZKQBNGXPGGHP-IUCAKERBSA-N 1 2 361.667 2.894 20 10 FFCDLO CN(C)c1cc(F)c(C[NH+]2CCC(CN=S(C)(C)=O)CC2)cc1F ZINC001561014801 1076319756 /nfs/dbraw/zinc/31/97/56/1076319756.db2.gz BQIPZHZHRSBAET-UHFFFAOYSA-N 1 2 359.486 2.970 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589962595 1080907016 /nfs/dbraw/zinc/90/70/16/1080907016.db2.gz HRMNHKHMAMOYHL-CABCVRRESA-N 1 2 364.453 2.749 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000049636412 507625873 /nfs/dbraw/zinc/62/58/73/507625873.db2.gz NHHGCTLNGSNBQJ-OAHLLOKOSA-N 1 2 364.449 2.815 20 10 FFCDLO CCCOc1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)c(O)c1 ZINC000179493798 509476774 /nfs/dbraw/zinc/47/67/74/509476774.db2.gz QHFJXLSCMCIPTD-UHFFFAOYSA-N 1 2 355.438 2.534 20 10 FFCDLO OC[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000179953820 509686224 /nfs/dbraw/zinc/68/62/24/509686224.db2.gz SZBXXPYMKDWNHQ-QMMMGPOBSA-N 1 2 365.065 2.731 20 10 FFCDLO OC[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000179953820 509686227 /nfs/dbraw/zinc/68/62/27/509686227.db2.gz SZBXXPYMKDWNHQ-QMMMGPOBSA-N 1 2 365.065 2.731 20 10 FFCDLO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000184638506 510434566 /nfs/dbraw/zinc/43/45/66/510434566.db2.gz GWMYTHJCZLOFBP-GOSISDBHSA-N 1 2 359.470 2.590 20 10 FFCDLO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(F)c(F)c1O ZINC000191209115 510549440 /nfs/dbraw/zinc/54/94/40/510549440.db2.gz AJUIJIOQWZCWKD-LBPRGKRZSA-N 1 2 364.392 2.988 20 10 FFCDLO C[N@H+](Cc1nncn1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000278167954 510984058 /nfs/dbraw/zinc/98/40/58/510984058.db2.gz PXANXUWBLSXRLZ-UHFFFAOYSA-N 1 2 363.465 2.736 20 10 FFCDLO C[N@@H+](Cc1nncn1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000278167954 510984063 /nfs/dbraw/zinc/98/40/63/510984063.db2.gz PXANXUWBLSXRLZ-UHFFFAOYSA-N 1 2 363.465 2.736 20 10 FFCDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)o1 ZINC000278518643 510996105 /nfs/dbraw/zinc/99/61/05/510996105.db2.gz RLWQHRXGGCKAIZ-ZDUSSCGKSA-N 1 2 350.371 2.942 20 10 FFCDLO CCOCc1nc([C@H](C)[NH2+]Cc2cc(Br)ccc2O)no1 ZINC000290960424 511155352 /nfs/dbraw/zinc/15/53/52/511155352.db2.gz RLUOEQBDCIEQNH-VIFPVBQESA-N 1 2 356.220 2.925 20 10 FFCDLO CN(C)c1ccc(C[N@H+](Cc2cn(Cc3cccnc3)nn2)C2CC2)cc1 ZINC000273485019 511529267 /nfs/dbraw/zinc/52/92/67/511529267.db2.gz LSTCAWFHBHZUKM-UHFFFAOYSA-N 1 2 362.481 2.952 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](Cc2cn(Cc3cccnc3)nn2)C2CC2)cc1 ZINC000273485019 511529274 /nfs/dbraw/zinc/52/92/74/511529274.db2.gz LSTCAWFHBHZUKM-UHFFFAOYSA-N 1 2 362.481 2.952 20 10 FFCDLO COc1ccc([NH+]2CCC(Nc3nnnn3-c3ccccc3)CC2)cc1 ZINC000301195802 511689732 /nfs/dbraw/zinc/68/97/32/511689732.db2.gz UHKUWGLKNXDBFR-UHFFFAOYSA-N 1 2 350.426 2.752 20 10 FFCDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cccc(O)c3O)CCCC2)no1 ZINC000274950549 511996059 /nfs/dbraw/zinc/99/60/59/511996059.db2.gz HWQFNOFMWLLKNR-UHFFFAOYSA-N 1 2 374.441 2.522 20 10 FFCDLO COc1ccc([C@@H](C[NH+](C)C)NCc2cc(OC)c(OC)cc2O)cc1 ZINC000285284162 512064091 /nfs/dbraw/zinc/06/40/91/512064091.db2.gz VBJRASSJQFERQK-QGZVFWFLSA-N 1 2 360.454 2.811 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+](CCS(C)(=O)=O)C(C)(C)C)c1O ZINC000131489840 728722328 /nfs/dbraw/zinc/72/23/28/728722328.db2.gz IZIOUWAIKBXYHY-UHFFFAOYSA-N 1 2 361.891 2.893 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](CCS(C)(=O)=O)C(C)(C)C)c1O ZINC000131489840 728722329 /nfs/dbraw/zinc/72/23/29/728722329.db2.gz IZIOUWAIKBXYHY-UHFFFAOYSA-N 1 2 361.891 2.893 20 10 FFCDLO O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179557914 729188644 /nfs/dbraw/zinc/18/86/44/729188644.db2.gz URNIKLRZCUTEFU-UHFFFAOYSA-N 1 2 366.870 2.552 20 10 FFCDLO CN(C)c1cc(F)c(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1F ZINC000862325087 730687307 /nfs/dbraw/zinc/68/73/07/730687307.db2.gz BOQIKIQTMAGKLE-QGZVFWFLSA-N 1 2 368.449 2.906 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000862536318 730707485 /nfs/dbraw/zinc/70/74/85/730707485.db2.gz JNENKKNGSQRFCA-INIZCTEOSA-N 1 2 365.836 2.570 20 10 FFCDLO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2O)cc1 ZINC000877409142 732358710 /nfs/dbraw/zinc/35/87/10/732358710.db2.gz YNZVVYAQYORTPC-UHFFFAOYSA-N 1 2 351.349 2.854 20 10 FFCDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2O)cc1 ZINC000877409142 732358716 /nfs/dbraw/zinc/35/87/16/732358716.db2.gz YNZVVYAQYORTPC-UHFFFAOYSA-N 1 2 351.349 2.854 20 10 FFCDLO OC[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@H]1C(F)(F)F ZINC000877693494 732414934 /nfs/dbraw/zinc/41/49/34/732414934.db2.gz INEBRRUBKMXDRH-VHSXEESVSA-N 1 2 354.166 2.757 20 10 FFCDLO OC[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H]1C(F)(F)F ZINC000877693494 732414937 /nfs/dbraw/zinc/41/49/37/732414937.db2.gz INEBRRUBKMXDRH-VHSXEESVSA-N 1 2 354.166 2.757 20 10 FFCDLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000724875242 734387302 /nfs/dbraw/zinc/38/73/02/734387302.db2.gz IEYCFXLPBIOURZ-VXGBXAGGSA-N 1 2 350.640 2.702 20 10 FFCDLO COC1(CO)CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000894578505 734881942 /nfs/dbraw/zinc/88/19/42/734881942.db2.gz MOCLCWMTICCROZ-UHFFFAOYSA-N 1 2 364.667 2.781 20 10 FFCDLO CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@H](CC)CN1C(C)=O ZINC000752094603 735956945 /nfs/dbraw/zinc/95/69/45/735956945.db2.gz RPWHTULXRYDWBB-IAGOWNOFSA-N 1 2 350.434 2.955 20 10 FFCDLO CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@H](CC)CN1C(C)=O ZINC000752094603 735956948 /nfs/dbraw/zinc/95/69/48/735956948.db2.gz RPWHTULXRYDWBB-IAGOWNOFSA-N 1 2 350.434 2.955 20 10 FFCDLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000764952679 737066960 /nfs/dbraw/zinc/06/69/60/737066960.db2.gz BLNDUKPXSBMFHT-SCLBCKFNSA-N 1 2 360.479 2.758 20 10 FFCDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000770741481 737659231 /nfs/dbraw/zinc/65/92/31/737659231.db2.gz VXOAUXOLLQDWOZ-ZDUSSCGKSA-N 1 2 365.528 2.948 20 10 FFCDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000775100169 738061902 /nfs/dbraw/zinc/06/19/02/738061902.db2.gz BAHUSRPDVPMMQB-CYBMUJFWSA-N 1 2 352.387 2.615 20 10 FFCDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000775100169 738061904 /nfs/dbraw/zinc/06/19/04/738061904.db2.gz BAHUSRPDVPMMQB-CYBMUJFWSA-N 1 2 352.387 2.615 20 10 FFCDLO CN(C)c1cc(F)c(C[NH2+]Cc2cn(C)nc2Br)cc1F ZINC000922464935 738149841 /nfs/dbraw/zinc/14/98/41/738149841.db2.gz BEIDMRYZEQUOCF-UHFFFAOYSA-N 1 2 359.218 2.817 20 10 FFCDLO COCC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000798940385 740375461 /nfs/dbraw/zinc/37/54/61/740375461.db2.gz GNXBWILLTWVTFP-SCZZXKLOSA-N 1 2 352.656 2.856 20 10 FFCDLO O=C(NCC[NH+]1CCSCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805181102 740947842 /nfs/dbraw/zinc/94/78/42/740947842.db2.gz IAHOZSVYHYUMKG-UHFFFAOYSA-N 1 2 364.298 2.547 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000809708818 741334648 /nfs/dbraw/zinc/33/46/48/741334648.db2.gz HZXRSNLOOILSME-GJZGRUSLSA-N 1 2 368.861 2.915 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000809708818 741334649 /nfs/dbraw/zinc/33/46/49/741334649.db2.gz HZXRSNLOOILSME-GJZGRUSLSA-N 1 2 368.861 2.915 20 10 FFCDLO O=C(N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1)C(F)(F)F ZINC000824829763 743158409 /nfs/dbraw/zinc/15/84/09/743158409.db2.gz QYBZNGHIDHHIIL-ZYHUDNBSSA-N 1 2 362.779 2.888 20 10 FFCDLO O=C(N1C[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1)C(F)(F)F ZINC000824829763 743158414 /nfs/dbraw/zinc/15/84/14/743158414.db2.gz QYBZNGHIDHHIIL-ZYHUDNBSSA-N 1 2 362.779 2.888 20 10 FFCDLO CCc1ccc(C[NH+]2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)s1 ZINC000825968756 743350281 /nfs/dbraw/zinc/35/02/81/743350281.db2.gz CKXDUOMNCKAWLQ-UHFFFAOYSA-N 1 2 364.442 2.819 20 10 FFCDLO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834880796 745918221 /nfs/dbraw/zinc/91/82/21/745918221.db2.gz QUQDFOQHYCWWMJ-IMSIIYSGSA-N 1 2 362.239 2.996 20 10 FFCDLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000840826666 747193978 /nfs/dbraw/zinc/19/39/78/747193978.db2.gz RNQYOAKYZZKTSO-VSYUYLJXSA-N 1 2 350.640 2.873 20 10 FFCDLO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c(Cl)c1 ZINC000840914623 747223340 /nfs/dbraw/zinc/22/33/40/747223340.db2.gz FLTSXVPTQNVOSU-GFCCVEGCSA-N 1 2 350.768 2.949 20 10 FFCDLO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c(Cl)c1 ZINC000840914623 747223347 /nfs/dbraw/zinc/22/33/47/747223347.db2.gz FLTSXVPTQNVOSU-GFCCVEGCSA-N 1 2 350.768 2.949 20 10 FFCDLO Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CCn2nncc2C1 ZINC000848491253 748940053 /nfs/dbraw/zinc/94/00/53/748940053.db2.gz QZZPFROIJOIJTE-UHFFFAOYSA-N 1 2 359.227 2.915 20 10 FFCDLO Oc1ccc2cc(Br)ccc2c1C[N@H+]1CCn2nncc2C1 ZINC000848491253 748940059 /nfs/dbraw/zinc/94/00/59/748940059.db2.gz QZZPFROIJOIJTE-UHFFFAOYSA-N 1 2 359.227 2.915 20 10 FFCDLO Cc1cc(Br)cc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1O ZINC000848923171 749035958 /nfs/dbraw/zinc/03/59/58/749035958.db2.gz AIDRBVYDCBZUSA-GFCCVEGCSA-N 1 2 367.247 2.723 20 10 FFCDLO CO[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@H]1CCOC1 ZINC000850484634 749371780 /nfs/dbraw/zinc/37/17/80/749371780.db2.gz NHACSQMKNZTPRB-PKFCDNJMSA-N 1 2 362.239 2.996 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccnn3C3CCC3)CC2)c(OC)c1 ZINC000895816507 970981417 /nfs/dbraw/zinc/98/14/17/970981417.db2.gz FBEQKYKQLXCGIE-UHFFFAOYSA-N 1 2 356.470 2.948 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837035 1013058654 /nfs/dbraw/zinc/05/86/54/1013058654.db2.gz AOQBFRMQKXMSIL-KZULUSFZSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837035 1013058668 /nfs/dbraw/zinc/05/86/68/1013058668.db2.gz AOQBFRMQKXMSIL-KZULUSFZSA-N 1 2 350.846 2.590 20 10 FFCDLO COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001279107535 962564824 /nfs/dbraw/zinc/56/48/24/962564824.db2.gz NHOSEMLJGNWFJF-UHFFFAOYSA-N 1 2 370.440 2.579 20 10 FFCDLO COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001279107535 962564847 /nfs/dbraw/zinc/56/48/47/962564847.db2.gz NHOSEMLJGNWFJF-UHFFFAOYSA-N 1 2 370.440 2.579 20 10 FFCDLO CC[C@H](CO)Nc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc[nH+]1 ZINC000891662393 964762624 /nfs/dbraw/zinc/76/26/24/964762624.db2.gz NEVAKRRVVAYSNC-OAHLLOKOSA-N 1 2 364.453 2.829 20 10 FFCDLO CC[C@H](CO)Nc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)[nH+]cn1 ZINC000891662393 964762633 /nfs/dbraw/zinc/76/26/33/964762633.db2.gz NEVAKRRVVAYSNC-OAHLLOKOSA-N 1 2 364.453 2.829 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894753240 965667517 /nfs/dbraw/zinc/66/75/17/965667517.db2.gz RUKOYUBOWXPNJN-CABCVRRESA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894753240 965667523 /nfs/dbraw/zinc/66/75/23/965667523.db2.gz RUKOYUBOWXPNJN-CABCVRRESA-N 1 2 370.396 2.540 20 10 FFCDLO COc1ccc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c(O)c1OC ZINC000892044527 965884496 /nfs/dbraw/zinc/88/44/96/965884496.db2.gz LEEZPQGLMPDPEQ-OAHLLOKOSA-N 1 2 357.454 2.683 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000066863676 972533532 /nfs/dbraw/zinc/53/35/32/972533532.db2.gz GYNHTUCWSSCCME-RXVVDRJESA-N 1 2 371.525 2.998 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000796581731 1014391714 /nfs/dbraw/zinc/39/17/14/1014391714.db2.gz ZHIFUKFQVSRLRO-OXJNMPFZSA-N 1 2 374.456 2.888 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000796581731 1014391725 /nfs/dbraw/zinc/39/17/25/1014391725.db2.gz ZHIFUKFQVSRLRO-OXJNMPFZSA-N 1 2 374.456 2.888 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1Cl ZINC000825903810 1014397877 /nfs/dbraw/zinc/39/78/77/1014397877.db2.gz SNMQDUOAUYYGHU-IBGZPJMESA-N 1 2 373.884 2.698 20 10 FFCDLO C[C@H]1C(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 ZINC000021995213 979109524 /nfs/dbraw/zinc/10/95/24/979109524.db2.gz TZOXZQJRKWTROQ-INIZCTEOSA-N 1 2 366.465 2.999 20 10 FFCDLO C[C@H]1C(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 ZINC000021995213 979109529 /nfs/dbraw/zinc/10/95/29/979109529.db2.gz TZOXZQJRKWTROQ-INIZCTEOSA-N 1 2 366.465 2.999 20 10 FFCDLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001142520266 982525762 /nfs/dbraw/zinc/52/57/62/982525762.db2.gz FAIQRWGKYZIOEM-CABCVRRESA-N 1 2 365.405 2.616 20 10 FFCDLO C[C@H]1CN(C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)C[C@H](C)O1 ZINC000072952739 983953330 /nfs/dbraw/zinc/95/33/30/983953330.db2.gz GXJMGJRYMVGRME-HOTGVXAUSA-N 1 2 358.438 2.623 20 10 FFCDLO C[C@H]1CN(C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)C[C@H](C)O1 ZINC000072952739 983953335 /nfs/dbraw/zinc/95/33/35/983953335.db2.gz GXJMGJRYMVGRME-HOTGVXAUSA-N 1 2 358.438 2.623 20 10 FFCDLO COc1cc(C)cc(C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1O ZINC000164405588 984365820 /nfs/dbraw/zinc/36/58/20/984365820.db2.gz KHQWJFNLLBQXTF-UHFFFAOYSA-N 1 2 358.413 2.693 20 10 FFCDLO COc1cc(C)cc(C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1O ZINC000164405588 984365821 /nfs/dbraw/zinc/36/58/21/984365821.db2.gz KHQWJFNLLBQXTF-UHFFFAOYSA-N 1 2 358.413 2.693 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000156900943 984414891 /nfs/dbraw/zinc/41/48/91/984414891.db2.gz VPZMRSXLCNOUQZ-UHFFFAOYSA-N 1 2 352.482 2.886 20 10 FFCDLO OC[C@@]1(F)CCC[N@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235296520 988653476 /nfs/dbraw/zinc/65/34/76/988653476.db2.gz JIQGVOACSAJBOB-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO OC[C@@]1(F)CCC[N@@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235296520 988653483 /nfs/dbraw/zinc/65/34/83/988653483.db2.gz JIQGVOACSAJBOB-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO CN(C)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000033220920 990159099 /nfs/dbraw/zinc/15/90/99/990159099.db2.gz TVKXWFGYFJLHDX-UHFFFAOYSA-N 1 2 365.393 2.777 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000920178006 990810705 /nfs/dbraw/zinc/81/07/05/990810705.db2.gz UBLTVHDRMNVOBV-CQSZACIVSA-N 1 2 370.457 2.974 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000068783408 991512379 /nfs/dbraw/zinc/51/23/79/991512379.db2.gz JSLJRRSFNFPSHK-HXUWFJFHSA-N 1 2 351.450 2.623 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccccc1C ZINC001136874824 996936213 /nfs/dbraw/zinc/93/62/13/996936213.db2.gz UEVVHJVCKADKIZ-LAUBAEHRSA-N 1 2 368.525 2.767 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccccc1C ZINC001136874824 996936223 /nfs/dbraw/zinc/93/62/23/996936223.db2.gz UEVVHJVCKADKIZ-LAUBAEHRSA-N 1 2 368.525 2.767 20 10 FFCDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000844134576 997675907 /nfs/dbraw/zinc/67/59/07/997675907.db2.gz MFAOCLLHHSKIRB-MRXNPFEDSA-N 1 2 351.406 2.973 20 10 FFCDLO CO[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1 ZINC000752323697 1000139402 /nfs/dbraw/zinc/13/94/02/1000139402.db2.gz WVPCTOXRMDZQJU-QGZVFWFLSA-N 1 2 370.449 2.769 20 10 FFCDLO CO[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1 ZINC000752323697 1000139405 /nfs/dbraw/zinc/13/94/05/1000139405.db2.gz WVPCTOXRMDZQJU-QGZVFWFLSA-N 1 2 370.449 2.769 20 10 FFCDLO Cc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000768156587 1000186560 /nfs/dbraw/zinc/18/65/60/1000186560.db2.gz OJDLLMSHGSJUSF-UHFFFAOYSA-N 1 2 374.506 2.824 20 10 FFCDLO COc1ccc(N(C)CCN(C)C(=O)[C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000846697317 1000412657 /nfs/dbraw/zinc/41/26/57/1000412657.db2.gz NNURHAGCGJJNJH-GOSISDBHSA-N 1 2 363.408 2.568 20 10 FFCDLO O=S(=O)(Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc2nonc21 ZINC000769673436 1000574255 /nfs/dbraw/zinc/57/42/55/1000574255.db2.gz PTEHNNKJYPLGJZ-UHFFFAOYSA-N 1 2 372.450 2.662 20 10 FFCDLO COc1c(O)c(C[NH+]2CCN(c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000774818701 1002804982 /nfs/dbraw/zinc/80/49/82/1002804982.db2.gz GFVJFLBUIAUFDK-UHFFFAOYSA-N 1 2 357.410 2.940 20 10 FFCDLO C[C@@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)[NH+]1CCSCC1 ZINC000775490933 1003984472 /nfs/dbraw/zinc/98/44/72/1003984472.db2.gz DKFMRLLDLHRLCH-AWEZNQCLSA-N 1 2 367.478 2.772 20 10 FFCDLO CCOCC[NH+]1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000106106133 1005245209 /nfs/dbraw/zinc/24/52/09/1005245209.db2.gz MOIRBNNKFBFLSK-UHFFFAOYSA-N 1 2 369.509 2.931 20 10 FFCDLO COC(=O)Cc1cc[nH+]c(NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000853193638 1006329589 /nfs/dbraw/zinc/32/95/89/1006329589.db2.gz WFDUXUKNJACHBP-UHFFFAOYSA-N 1 2 369.465 2.618 20 10 FFCDLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000853233097 1006342532 /nfs/dbraw/zinc/34/25/32/1006342532.db2.gz MQBPQZSRBRKOMK-HNNXBMFYSA-N 1 2 355.438 2.807 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNc3cc(C(C)=O)ccn3)CC2)cc1 ZINC000853234135 1006344363 /nfs/dbraw/zinc/34/43/63/1006344363.db2.gz BAGBWHMDZWLUHW-UHFFFAOYSA-N 1 2 354.454 2.527 20 10 FFCDLO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775253930 1007091609 /nfs/dbraw/zinc/09/16/09/1007091609.db2.gz CMSNMFIJIKPCLM-LSDHHAIUSA-N 1 2 360.458 2.855 20 10 FFCDLO COc1cc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c(O)cc1Br ZINC001206245127 1032197462 /nfs/dbraw/zinc/19/74/62/1032197462.db2.gz QOWMQNFFZNMYFE-GFCCVEGCSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1cc(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)c(O)cc1Br ZINC001206245127 1032197470 /nfs/dbraw/zinc/19/74/70/1032197470.db2.gz QOWMQNFFZNMYFE-GFCCVEGCSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)Cc3cn4cccc(C)c4[nH+]3)C2)cc1 ZINC000855230999 1007197629 /nfs/dbraw/zinc/19/76/29/1007197629.db2.gz RPTDPXLJPZRJLM-MRXNPFEDSA-N 1 2 364.449 2.589 20 10 FFCDLO CCOC(=O)C[N@H+](CCc1nc2ccccc2n1C)Cc1ccccc1O ZINC000823575968 1009116940 /nfs/dbraw/zinc/11/69/40/1009116940.db2.gz FYWWCYRTTINLLN-UHFFFAOYSA-N 1 2 367.449 2.887 20 10 FFCDLO CCOC(=O)C[N@@H+](CCc1nc2ccccc2n1C)Cc1ccccc1O ZINC000823575968 1009116952 /nfs/dbraw/zinc/11/69/52/1009116952.db2.gz FYWWCYRTTINLLN-UHFFFAOYSA-N 1 2 367.449 2.887 20 10 FFCDLO CCc1ccc(C[C@@H](C)[NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)cc1 ZINC001173236672 1012382350 /nfs/dbraw/zinc/38/23/50/1012382350.db2.gz BOWNGKBZPFRAPR-KDOFPFPSSA-N 1 2 357.450 2.965 20 10 FFCDLO CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]Cc3cccc(F)c3O)c2)n1 ZINC000809762287 1013037551 /nfs/dbraw/zinc/03/75/51/1013037551.db2.gz KDBQGMMRKSYRBR-UHFFFAOYSA-N 1 2 370.384 2.783 20 10 FFCDLO CCN(CC)c1ccc(CN(C)C(=O)/C=C(/C)C[NH+]2CCOCC2)cc1 ZINC000900028213 1020146894 /nfs/dbraw/zinc/14/68/94/1020146894.db2.gz XQPYHRKLXCBIQK-SDXDJHTJSA-N 1 2 359.514 2.770 20 10 FFCDLO COC(=O)/C=C\c1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000931397362 1020452980 /nfs/dbraw/zinc/45/29/80/1020452980.db2.gz NAMOQTQTMFUKCY-ALCCZGGFSA-N 1 2 371.393 2.696 20 10 FFCDLO O=C1c2cccc(O[C@H]3CC[NH2+]CC3(F)F)c2C(=O)c2cccc(O)c21 ZINC001218004766 1032945461 /nfs/dbraw/zinc/94/54/61/1032945461.db2.gz CAJYWTUWTUTKGA-AWEZNQCLSA-N 1 2 359.328 2.544 20 10 FFCDLO COc1ccc(N2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)CC2)cc1 ZINC000750562090 1022176403 /nfs/dbraw/zinc/17/64/03/1022176403.db2.gz LXQSBYUUXFVIEK-UHFFFAOYSA-N 1 2 364.449 2.543 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392300 1023704148 /nfs/dbraw/zinc/70/41/48/1023704148.db2.gz NJQZXICEZJTHNK-CHWSQXEVSA-N 1 2 358.442 2.909 20 10 FFCDLO CN1CCOc2cc(CN3CC[NH+](Cc4ccccc4F)CC3)ccc21 ZINC001141142765 1025513242 /nfs/dbraw/zinc/51/32/42/1025513242.db2.gz AHNVCMUSQLEWLC-UHFFFAOYSA-N 1 2 355.457 2.972 20 10 FFCDLO CO[C@H](C)C[N@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000796642228 1026421219 /nfs/dbraw/zinc/42/12/19/1026421219.db2.gz NZBVUBRWAOPKFW-CQSZACIVSA-N 1 2 358.438 2.972 20 10 FFCDLO CO[C@H](C)C[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000796642228 1026421225 /nfs/dbraw/zinc/42/12/25/1026421225.db2.gz NZBVUBRWAOPKFW-CQSZACIVSA-N 1 2 358.438 2.972 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(C)n1-c1ccc(F)cn1 ZINC000839192602 1026617834 /nfs/dbraw/zinc/61/78/34/1026617834.db2.gz LKUSVYGSZXNHSH-QAPCUYQASA-N 1 2 357.429 2.922 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(C)n1-c1ccc(F)cn1 ZINC000839192602 1026617842 /nfs/dbraw/zinc/61/78/42/1026617842.db2.gz LKUSVYGSZXNHSH-QAPCUYQASA-N 1 2 357.429 2.922 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000839668298 1026786035 /nfs/dbraw/zinc/78/60/35/1026786035.db2.gz YDDOMAAAXDGSHB-NQIIRXRSSA-N 1 2 370.493 2.569 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000839668298 1026786044 /nfs/dbraw/zinc/78/60/44/1026786044.db2.gz YDDOMAAAXDGSHB-NQIIRXRSSA-N 1 2 370.493 2.569 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc(COC(C)=O)o3)CC2)c(OC)c1 ZINC001141793691 1026993274 /nfs/dbraw/zinc/99/32/74/1026993274.db2.gz GNZKMKASOBDOHY-UHFFFAOYSA-N 1 2 374.437 2.682 20 10 FFCDLO Cc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(O)c1O ZINC000780950369 1028891308 /nfs/dbraw/zinc/89/13/08/1028891308.db2.gz AAGVUIATPZZGRK-MRXNPFEDSA-N 1 2 351.406 2.854 20 10 FFCDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)c(O)c1 ZINC001203634933 1030799315 /nfs/dbraw/zinc/79/93/15/1030799315.db2.gz BSTZTTDSDVKVKB-HNNXBMFYSA-N 1 2 351.443 2.724 20 10 FFCDLO COc1ccc(C[N@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)c(O)c1 ZINC001203634933 1030799321 /nfs/dbraw/zinc/79/93/21/1030799321.db2.gz BSTZTTDSDVKVKB-HNNXBMFYSA-N 1 2 351.443 2.724 20 10 FFCDLO COc1cc(C[NH+]2CCN(c3nccc4ccccc43)CC2)cc(O)c1O ZINC001204345711 1031241344 /nfs/dbraw/zinc/24/13/44/1031241344.db2.gz VOJOCXNORXBQHQ-UHFFFAOYSA-N 1 2 365.433 2.977 20 10 FFCDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1 ZINC000799762538 1031873802 /nfs/dbraw/zinc/87/38/02/1031873802.db2.gz DJPHGBJODKZSFE-HNNXBMFYSA-N 1 2 370.449 2.843 20 10 FFCDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1 ZINC000799762538 1031873820 /nfs/dbraw/zinc/87/38/20/1031873820.db2.gz DJPHGBJODKZSFE-HNNXBMFYSA-N 1 2 370.449 2.843 20 10 FFCDLO [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccc(I)c2O)C1 ZINC001206640919 1031935547 /nfs/dbraw/zinc/93/55/47/1031935547.db2.gz OVZXRIQIGHTYOQ-NSHDSACASA-N 1 2 360.239 2.558 20 10 FFCDLO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(I)c2O)C1 ZINC001206640919 1031935573 /nfs/dbraw/zinc/93/55/73/1031935573.db2.gz OVZXRIQIGHTYOQ-NSHDSACASA-N 1 2 360.239 2.558 20 10 FFCDLO [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccc(I)c2[O-])C1 ZINC001206640919 1031935604 /nfs/dbraw/zinc/93/56/04/1031935604.db2.gz OVZXRIQIGHTYOQ-NSHDSACASA-N 1 2 360.239 2.558 20 10 FFCDLO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(I)c2[O-])C1 ZINC001206640919 1031935621 /nfs/dbraw/zinc/93/56/21/1031935621.db2.gz OVZXRIQIGHTYOQ-NSHDSACASA-N 1 2 360.239 2.558 20 10 FFCDLO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2c(O)ccc(F)c2F)C1=O ZINC001277098101 1034519849 /nfs/dbraw/zinc/51/98/49/1034519849.db2.gz OIKOVPNYYMVSCD-IBGZPJMESA-N 1 2 368.424 2.662 20 10 FFCDLO COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2c(O)ccc(F)c2F)C1=O ZINC001277098101 1034519852 /nfs/dbraw/zinc/51/98/52/1034519852.db2.gz OIKOVPNYYMVSCD-IBGZPJMESA-N 1 2 368.424 2.662 20 10 FFCDLO FC(F)C1C[NH+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138679475 1034539905 /nfs/dbraw/zinc/53/99/05/1034539905.db2.gz AWMGYAKNKZNPSU-UHFFFAOYSA-N 1 2 361.230 2.983 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC(CNC(=O)OC(C)(C)C)C1 ZINC001139125670 1034954438 /nfs/dbraw/zinc/95/44/38/1034954438.db2.gz ZQQQIXHRHWKPPK-UHFFFAOYSA-N 1 2 374.437 2.764 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC001139127653 1034959059 /nfs/dbraw/zinc/95/90/59/1034959059.db2.gz MIXYFDHGGUVJMA-OAHLLOKOSA-N 1 2 370.449 2.641 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC001139127653 1034959063 /nfs/dbraw/zinc/95/90/63/1034959063.db2.gz MIXYFDHGGUVJMA-OAHLLOKOSA-N 1 2 370.449 2.641 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001139131051 1034961451 /nfs/dbraw/zinc/96/14/51/1034961451.db2.gz MOEMZGIULDKXMC-TXEJJXNPSA-N 1 2 351.349 2.521 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001139131051 1034961458 /nfs/dbraw/zinc/96/14/58/1034961458.db2.gz MOEMZGIULDKXMC-TXEJJXNPSA-N 1 2 351.349 2.521 20 10 FFCDLO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232260093 1035530850 /nfs/dbraw/zinc/53/08/50/1035530850.db2.gz OKJKTNWDJXDPLB-CYBMUJFWSA-N 1 2 351.834 2.713 20 10 FFCDLO CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232260093 1035530853 /nfs/dbraw/zinc/53/08/53/1035530853.db2.gz OKJKTNWDJXDPLB-CYBMUJFWSA-N 1 2 351.834 2.713 20 10 FFCDLO COC(=O)c1c(CN2CC[NH+](Cc3ccco3)CC2)c2ccccc2n1C ZINC001232408151 1035656441 /nfs/dbraw/zinc/65/64/41/1035656441.db2.gz XBEOBUMIGGHSPO-UHFFFAOYSA-N 1 2 367.449 2.876 20 10 FFCDLO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232529 1035681625 /nfs/dbraw/zinc/68/16/25/1035681625.db2.gz SNHPJSQJOILWMP-SWLSCSKDSA-N 1 2 364.873 2.741 20 10 FFCDLO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232523 1035682012 /nfs/dbraw/zinc/68/20/12/1035682012.db2.gz SKMXPPAWNWMXFW-IBGZPJMESA-N 1 2 366.889 2.897 20 10 FFCDLO CCCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232523 1035682024 /nfs/dbraw/zinc/68/20/24/1035682024.db2.gz SKMXPPAWNWMXFW-IBGZPJMESA-N 1 2 366.889 2.897 20 10 FFCDLO Oc1cc(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)cc(O)c1O ZINC001233013314 1036250399 /nfs/dbraw/zinc/25/03/99/1036250399.db2.gz OXGSZKZUOPKDFO-SECBINFHSA-N 1 2 359.304 2.585 20 10 FFCDLO Oc1cc(C[N@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)cc(O)c1O ZINC001233013314 1036250411 /nfs/dbraw/zinc/25/04/11/1036250411.db2.gz OXGSZKZUOPKDFO-SECBINFHSA-N 1 2 359.304 2.585 20 10 FFCDLO O=C1CC2(CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)Oc2ccc(F)cc21 ZINC001233015537 1036251544 /nfs/dbraw/zinc/25/15/44/1036251544.db2.gz REMCBJZDEQBNGG-UHFFFAOYSA-N 1 2 373.380 2.943 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCC(NC(=O)C(F)(F)F)CC2)c1O ZINC001233290094 1036495142 /nfs/dbraw/zinc/49/51/42/1036495142.db2.gz ILORRCNXDHTLIH-UHFFFAOYSA-N 1 2 366.767 2.697 20 10 FFCDLO COc1ccnc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)n1 ZINC001233418690 1036610903 /nfs/dbraw/zinc/61/09/03/1036610903.db2.gz RGJGLYDYORGSOT-UHFFFAOYSA-N 1 2 368.359 2.532 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388228 1036680626 /nfs/dbraw/zinc/68/06/26/1036680626.db2.gz ULTQGTNHKSZFAJ-ADLMAVQZSA-N 1 2 368.836 2.587 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388228 1036680628 /nfs/dbraw/zinc/68/06/28/1036680628.db2.gz ULTQGTNHKSZFAJ-ADLMAVQZSA-N 1 2 368.836 2.587 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccc(F)cc1 ZINC000836864696 1036897398 /nfs/dbraw/zinc/89/73/98/1036897398.db2.gz TVHBYKRZILYLEU-KDURUIRLSA-N 1 2 371.456 2.826 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccc(F)cc1 ZINC000836864696 1036897424 /nfs/dbraw/zinc/89/74/24/1036897424.db2.gz TVHBYKRZILYLEU-KDURUIRLSA-N 1 2 371.456 2.826 20 10 FFCDLO C[N@@H+]1CCC[C@@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)CC1 ZINC001234750152 1037167451 /nfs/dbraw/zinc/16/74/51/1037167451.db2.gz ZPJLTEUTTQMWJH-GFCCVEGCSA-N 1 2 371.389 2.926 20 10 FFCDLO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(Cl)c2O)C1=O ZINC001277509112 1037546953 /nfs/dbraw/zinc/54/69/53/1037546953.db2.gz AOPKCLJSJHBXSX-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO COCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)cc(Cl)c2O)C1=O ZINC001277509112 1037546961 /nfs/dbraw/zinc/54/69/61/1037546961.db2.gz AOPKCLJSJHBXSX-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO O=C1N(CC(F)F)CC[C@]12CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277509652 1037549109 /nfs/dbraw/zinc/54/91/09/1037549109.db2.gz HAVZLQJFPLALLQ-INIZCTEOSA-N 1 2 362.779 2.874 20 10 FFCDLO O=C1N(CC(F)F)CC[C@]12CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277509652 1037549124 /nfs/dbraw/zinc/54/91/24/1037549124.db2.gz HAVZLQJFPLALLQ-INIZCTEOSA-N 1 2 362.779 2.874 20 10 FFCDLO COc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)c(O)cc1O ZINC001231633688 1037752851 /nfs/dbraw/zinc/75/28/51/1037752851.db2.gz SWBZTQNVGUDDCL-UHFFFAOYSA-N 1 2 364.442 2.692 20 10 FFCDLO COc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)c(O)cc1O ZINC001231633688 1037752863 /nfs/dbraw/zinc/75/28/63/1037752863.db2.gz SWBZTQNVGUDDCL-UHFFFAOYSA-N 1 2 364.442 2.692 20 10 FFCDLO CCOc1ccc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)cn1 ZINC001231659065 1037782946 /nfs/dbraw/zinc/78/29/46/1037782946.db2.gz PXOKCFCHWWHDEW-UHFFFAOYSA-N 1 2 357.454 2.820 20 10 FFCDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1ccc2ccccc2c1O ZINC001231882256 1037975355 /nfs/dbraw/zinc/97/53/55/1037975355.db2.gz OJXXOVISGZPURA-UHFFFAOYSA-N 1 2 359.422 2.864 20 10 FFCDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1ccc2ccccc2c1O ZINC001231882256 1037975359 /nfs/dbraw/zinc/97/53/59/1037975359.db2.gz OJXXOVISGZPURA-UHFFFAOYSA-N 1 2 359.422 2.864 20 10 FFCDLO O=C1NCN(c2ccccc2)C12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231909806 1038000874 /nfs/dbraw/zinc/00/08/74/1038000874.db2.gz PXXWOHRYCFMBQF-UHFFFAOYSA-N 1 2 371.868 2.974 20 10 FFCDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)c(Cl)cc2O)O1 ZINC001236790230 1038271104 /nfs/dbraw/zinc/27/11/04/1038271104.db2.gz NETCUOUZJZYOTI-YUELXQCFSA-N 1 2 359.253 2.519 20 10 FFCDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)c(Cl)cc2O)O1 ZINC001236790230 1038271115 /nfs/dbraw/zinc/27/11/15/1038271115.db2.gz NETCUOUZJZYOTI-YUELXQCFSA-N 1 2 359.253 2.519 20 10 FFCDLO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237084227 1038439729 /nfs/dbraw/zinc/43/97/29/1038439729.db2.gz IJBPNESKZQPHBZ-LLVKDONJSA-N 1 2 361.269 2.816 20 10 FFCDLO CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237084227 1038439730 /nfs/dbraw/zinc/43/97/30/1038439730.db2.gz IJBPNESKZQPHBZ-LLVKDONJSA-N 1 2 361.269 2.816 20 10 FFCDLO C[NH+]1CCN(c2ccc(CN3CCCCO3)cc2Br)CC1 ZINC001237090214 1038441100 /nfs/dbraw/zinc/44/11/00/1038441100.db2.gz OMXZEMZJFPHWRO-UHFFFAOYSA-N 1 2 354.292 2.728 20 10 FFCDLO COCC[N@H+](Cc1ccco1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001253989179 1040496399 /nfs/dbraw/zinc/49/63/99/1040496399.db2.gz FUZWYTLBVFVSCN-UHFFFAOYSA-N 1 2 361.461 2.819 20 10 FFCDLO COCC[N@@H+](Cc1ccco1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001253989179 1040496412 /nfs/dbraw/zinc/49/64/12/1040496412.db2.gz FUZWYTLBVFVSCN-UHFFFAOYSA-N 1 2 361.461 2.819 20 10 FFCDLO O=S(=O)(Nc1ccccc1C[NH+]1CCCC1)c1cccc2nonc21 ZINC001260440866 1040592951 /nfs/dbraw/zinc/59/29/51/1040592951.db2.gz SWIADYXUVOKUMR-UHFFFAOYSA-N 1 2 358.423 2.619 20 10 FFCDLO C[NH+](C)CCN1CCC2(C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC001278560697 1041167096 /nfs/dbraw/zinc/16/70/96/1041167096.db2.gz IULTZZOZXPLSDL-UHFFFAOYSA-N 1 2 358.313 2.768 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1CCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001278565615 1041191528 /nfs/dbraw/zinc/19/15/28/1041191528.db2.gz PTOUUJUQJSBYGS-UHFFFAOYSA-N 1 2 359.857 2.793 20 10 FFCDLO C[N@H+](Cc1ccsc1)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237212797 1043056586 /nfs/dbraw/zinc/05/65/86/1043056586.db2.gz PHACGNQBICDSQX-UHFFFAOYSA-N 1 2 350.509 2.615 20 10 FFCDLO C[N@@H+](Cc1ccsc1)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237212797 1043056596 /nfs/dbraw/zinc/05/65/96/1043056596.db2.gz PHACGNQBICDSQX-UHFFFAOYSA-N 1 2 350.509 2.615 20 10 FFCDLO COc1cc(N(C)C)ccc1CN1CC2(CC[N@@H+]2Cc2scnc2C)C1 ZINC001279430479 1043105166 /nfs/dbraw/zinc/10/51/66/1043105166.db2.gz HYMNNOKQORDLGC-UHFFFAOYSA-N 1 2 372.538 2.986 20 10 FFCDLO COc1cc(N(C)C)ccc1CN1CC2(CC[N@H+]2Cc2scnc2C)C1 ZINC001279430479 1043105175 /nfs/dbraw/zinc/10/51/75/1043105175.db2.gz HYMNNOKQORDLGC-UHFFFAOYSA-N 1 2 372.538 2.986 20 10 FFCDLO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001279503824 1043198463 /nfs/dbraw/zinc/19/84/63/1043198463.db2.gz ACLMUEYVJIGQMS-UHFFFAOYSA-N 1 2 357.376 2.647 20 10 FFCDLO COc1cc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)c(OC)c1 ZINC001237679067 1043306834 /nfs/dbraw/zinc/30/68/34/1043306834.db2.gz TUHXPVFTTHTOGS-GOSISDBHSA-N 1 2 359.422 2.689 20 10 FFCDLO COc1cc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)c(OC)c1 ZINC001237679067 1043306843 /nfs/dbraw/zinc/30/68/43/1043306843.db2.gz TUHXPVFTTHTOGS-GOSISDBHSA-N 1 2 359.422 2.689 20 10 FFCDLO COc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cn[nH]c2)c(Cl)c1 ZINC001279664671 1043427534 /nfs/dbraw/zinc/42/75/34/1043427534.db2.gz DZIGPSFAJDZRSH-IRXDYDNUSA-N 1 2 362.861 2.626 20 10 FFCDLO COc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cn[nH]c2)c(Cl)c1 ZINC001279664671 1043427543 /nfs/dbraw/zinc/42/75/43/1043427543.db2.gz DZIGPSFAJDZRSH-IRXDYDNUSA-N 1 2 362.861 2.626 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)Nc2nnco2)cc1 ZINC001279742764 1043571234 /nfs/dbraw/zinc/57/12/34/1043571234.db2.gz CIMKLYXSJCYAQW-HNAYVOBHSA-N 1 2 355.442 2.519 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)Nc2nnco2)cc1 ZINC001279742764 1043571248 /nfs/dbraw/zinc/57/12/48/1043571248.db2.gz CIMKLYXSJCYAQW-HNAYVOBHSA-N 1 2 355.442 2.519 20 10 FFCDLO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N3CC[NH2+]C3)cc2)cc1 ZINC001239167415 1044054203 /nfs/dbraw/zinc/05/42/03/1044054203.db2.gz LSWANWDIBCTVFL-FMQUCBEESA-N 1 2 359.455 2.719 20 10 FFCDLO CCOc1ccc(N2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)cc1 ZINC001326508360 1046962584 /nfs/dbraw/zinc/96/25/84/1046962584.db2.gz PMJHRAGFHPBIIY-UHFFFAOYSA-N 1 2 368.481 2.509 20 10 FFCDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001295591166 1049955916 /nfs/dbraw/zinc/95/59/16/1049955916.db2.gz WAQOPMPJAUPGIU-UHFFFAOYSA-N 1 2 373.796 2.737 20 10 FFCDLO CN(Cc1ccccc1O)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCO1 ZINC001343155891 1051778509 /nfs/dbraw/zinc/77/85/09/1051778509.db2.gz PTWLKWMTXYWXDR-DLBZAZTESA-N 1 2 371.485 2.566 20 10 FFCDLO CN(Cc1ccccc1O)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCCO1 ZINC001343155891 1051778524 /nfs/dbraw/zinc/77/85/24/1051778524.db2.gz PTWLKWMTXYWXDR-DLBZAZTESA-N 1 2 371.485 2.566 20 10 FFCDLO O=c1[nH]c2cccc(N3CC[NH+](Cc4cc(F)c(F)cc4O)CC3)c2[nH]1 ZINC001308949919 1052524483 /nfs/dbraw/zinc/52/44/83/1052524483.db2.gz CCEUPRANVNANOR-UHFFFAOYSA-N 1 2 360.364 2.575 20 10 FFCDLO CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001350777034 1055935584 /nfs/dbraw/zinc/93/55/84/1055935584.db2.gz TWOMUUDBNVFQJG-UHFFFAOYSA-N 1 2 365.393 2.777 20 10 FFCDLO CN(C)c1ccc([C@@H](CNC(=O)c2c(O)cc(F)cc2F)[NH+](C)C)cc1 ZINC001472631040 1058919273 /nfs/dbraw/zinc/91/92/73/1058919273.db2.gz SOMYOCDPSSTFMQ-MRXNPFEDSA-N 1 2 363.408 2.769 20 10 FFCDLO CC(C)C[C@H](c1nnc(N(C)Cc2ccccc2O)n1C)n1cc[nH+]c1 ZINC001355456049 1060255832 /nfs/dbraw/zinc/25/58/32/1060255832.db2.gz GBHUIOCNOWDFIR-MRXNPFEDSA-N 1 2 354.458 2.989 20 10 FFCDLO CCc1nnc(N(C)Cc2ccccc2O)n1Cc1c[nH+]ccc1OC ZINC001546421305 1061111674 /nfs/dbraw/zinc/11/16/74/1061111674.db2.gz ARAIHLRRAWFOKD-UHFFFAOYSA-N 1 2 353.426 2.634 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001474510527 1065540996 /nfs/dbraw/zinc/54/09/96/1065540996.db2.gz KPXQGPYAZZUERB-KBPBESRZSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001474510527 1065541008 /nfs/dbraw/zinc/54/10/08/1065541008.db2.gz KPXQGPYAZZUERB-KBPBESRZSA-N 1 2 370.396 2.540 20 10 FFCDLO CC1([NH2+]Cc2cc(Br)cc(Br)c2O)COC1 ZINC001474662064 1065574305 /nfs/dbraw/zinc/57/43/05/1065574305.db2.gz RNUGZXBBEGPRMO-UHFFFAOYSA-N 1 2 351.038 2.796 20 10 FFCDLO Cc1cc(CC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC001586487994 1079638088 /nfs/dbraw/zinc/63/80/88/1079638088.db2.gz OIDNURFIXKJQPJ-SFHVURJKSA-N 1 2 369.509 2.816 20 10 FFCDLO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589960050 1080904604 /nfs/dbraw/zinc/90/46/04/1080904604.db2.gz ZNDOCSMRDBGWOD-BBATYDOGSA-N 1 2 373.844 2.784 20 10 FFCDLO COc1c(O)c(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000372979949 512116122 /nfs/dbraw/zinc/11/61/22/512116122.db2.gz YTJDIFZCCNMPGP-GFCCVEGCSA-N 1 2 369.381 2.741 20 10 FFCDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000368911681 512132065 /nfs/dbraw/zinc/13/20/65/512132065.db2.gz ALUXSYYXFOFTBY-SFHVURJKSA-N 1 2 365.481 2.886 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1O ZINC000186167241 509557150 /nfs/dbraw/zinc/55/71/50/509557150.db2.gz CFMZMILFCGIIAW-VHSXEESVSA-N 1 2 367.298 2.631 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1O ZINC000186167256 509557847 /nfs/dbraw/zinc/55/78/47/509557847.db2.gz CFMZMILFCGIIAW-NXEZZACHSA-N 1 2 367.298 2.631 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000181359747 510372958 /nfs/dbraw/zinc/37/29/58/510372958.db2.gz CFHLOPHRUAZROA-UHFFFAOYSA-N 1 2 352.482 2.771 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000181359747 510372965 /nfs/dbraw/zinc/37/29/65/510372965.db2.gz CFHLOPHRUAZROA-UHFFFAOYSA-N 1 2 352.482 2.771 20 10 FFCDLO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000263777356 510837285 /nfs/dbraw/zinc/83/72/85/510837285.db2.gz NZWNYGSAEZOIRL-MRXNPFEDSA-N 1 2 372.488 2.599 20 10 FFCDLO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000276928875 510949536 /nfs/dbraw/zinc/94/95/36/510949536.db2.gz NVLLWAYBXHGXSB-NSHDSACASA-N 1 2 362.442 2.524 20 10 FFCDLO COc1cccc([C@H](NC(=O)c2ccc(C)c(O)c2O)c2[nH+]ccn2C)c1 ZINC000360987156 510976265 /nfs/dbraw/zinc/97/62/65/510976265.db2.gz ZPDABCWQTNPAAT-INIZCTEOSA-N 1 2 367.405 2.668 20 10 FFCDLO COc1c(O)c(CNc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000278936865 511014244 /nfs/dbraw/zinc/01/42/44/511014244.db2.gz XBPMHTAZGHDIIH-UHFFFAOYSA-N 1 2 373.409 2.753 20 10 FFCDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000282589304 511037048 /nfs/dbraw/zinc/03/70/48/511037048.db2.gz WVPJLJWXBMZVIY-UHFFFAOYSA-N 1 2 364.442 2.934 20 10 FFCDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000282589304 511037056 /nfs/dbraw/zinc/03/70/56/511037056.db2.gz WVPJLJWXBMZVIY-UHFFFAOYSA-N 1 2 364.442 2.934 20 10 FFCDLO C[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(F)c(F)c1O ZINC000291113672 511158781 /nfs/dbraw/zinc/15/87/81/511158781.db2.gz CFOVZKPQZPINSN-LBPRGKRZSA-N 1 2 361.392 2.775 20 10 FFCDLO C[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(F)c(F)c1O ZINC000291113672 511158789 /nfs/dbraw/zinc/15/87/89/511158789.db2.gz CFOVZKPQZPINSN-LBPRGKRZSA-N 1 2 361.392 2.775 20 10 FFCDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1F ZINC000365006435 511202705 /nfs/dbraw/zinc/20/27/05/511202705.db2.gz FPFPLMAFYIOVHT-XSBJJCPUSA-N 1 2 367.380 2.889 20 10 FFCDLO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273432647 511526684 /nfs/dbraw/zinc/52/66/84/511526684.db2.gz WDXNGVLBXDVOLR-ZDUSSCGKSA-N 1 2 373.409 2.618 20 10 FFCDLO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273592887 511545935 /nfs/dbraw/zinc/54/59/35/511545935.db2.gz PSEPNMYDGTVNQS-ADLMAVQZSA-N 1 2 362.382 2.702 20 10 FFCDLO CCN(CC)c1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1F ZINC000302916291 511720099 /nfs/dbraw/zinc/72/00/99/511720099.db2.gz WDFBMQVWQGOLKR-UHFFFAOYSA-N 1 2 359.449 2.911 20 10 FFCDLO CCN(CC)c1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1F ZINC000302916291 511720107 /nfs/dbraw/zinc/72/01/07/511720107.db2.gz WDFBMQVWQGOLKR-UHFFFAOYSA-N 1 2 359.449 2.911 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000376009288 512613975 /nfs/dbraw/zinc/61/39/75/512613975.db2.gz WNBTYBGXBRXQSF-BZNIZROVSA-N 1 2 372.259 2.543 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418100812 513372863 /nfs/dbraw/zinc/37/28/63/513372863.db2.gz QJULKMHPZCIQSS-ZDUSSCGKSA-N 1 2 350.413 2.531 20 10 FFCDLO COCCO[C@]12CCC[C@@]1([NH2+]Cc1cc(Cl)cc(F)c1O)CCO2 ZINC000897999294 735301809 /nfs/dbraw/zinc/30/18/09/735301809.db2.gz IOJHOINEJZTHFR-IAGOWNOFSA-N 1 2 359.825 2.977 20 10 FFCDLO Cc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3O)CC2)c(C)s1 ZINC000179564047 729188689 /nfs/dbraw/zinc/18/86/89/729188689.db2.gz QEQCCOIJEOGVAN-UHFFFAOYSA-N 1 2 366.508 2.577 20 10 FFCDLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000856593739 730346540 /nfs/dbraw/zinc/34/65/40/730346540.db2.gz CIXRVDBEKBMTDK-QGZVFWFLSA-N 1 2 351.834 2.561 20 10 FFCDLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000856593739 730346542 /nfs/dbraw/zinc/34/65/42/730346542.db2.gz CIXRVDBEKBMTDK-QGZVFWFLSA-N 1 2 351.834 2.561 20 10 FFCDLO CC(C)C[N@@H+]1CCO[C@H](CNCc2c(O)cccc2Br)C1 ZINC000858088138 730416182 /nfs/dbraw/zinc/41/61/82/730416182.db2.gz ROKADSNVEZGKET-CYBMUJFWSA-N 1 2 357.292 2.601 20 10 FFCDLO CC(C)C[N@H+]1CCO[C@H](CNCc2c(O)cccc2Br)C1 ZINC000858088138 730416183 /nfs/dbraw/zinc/41/61/83/730416183.db2.gz ROKADSNVEZGKET-CYBMUJFWSA-N 1 2 357.292 2.601 20 10 FFCDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000781526183 738634235 /nfs/dbraw/zinc/63/42/35/738634235.db2.gz CVVWDVMVRBSINM-SFHVURJKSA-N 1 2 350.434 2.580 20 10 FFCDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000781526183 738634238 /nfs/dbraw/zinc/63/42/38/738634238.db2.gz CVVWDVMVRBSINM-SFHVURJKSA-N 1 2 350.434 2.580 20 10 FFCDLO COC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000883165419 733345370 /nfs/dbraw/zinc/34/53/70/733345370.db2.gz DTTUYBFQNPSPBV-CQSZACIVSA-N 1 2 362.239 2.825 20 10 FFCDLO O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C[C@@H]2C1)C(F)(F)F ZINC000894899721 734933983 /nfs/dbraw/zinc/93/39/83/734933983.db2.gz ACNWBUXBZBJVKJ-GXSJLCMTSA-N 1 2 364.314 2.513 20 10 FFCDLO O=C(N1C[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C[C@@H]2C1)C(F)(F)F ZINC000894899721 734933986 /nfs/dbraw/zinc/93/39/86/734933986.db2.gz ACNWBUXBZBJVKJ-GXSJLCMTSA-N 1 2 364.314 2.513 20 10 FFCDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000895438583 735006254 /nfs/dbraw/zinc/00/62/54/735006254.db2.gz ZSTQPTZINPSLAU-ZDUSSCGKSA-N 1 2 359.239 2.784 20 10 FFCDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000895438583 735006256 /nfs/dbraw/zinc/00/62/56/735006256.db2.gz ZSTQPTZINPSLAU-ZDUSSCGKSA-N 1 2 359.239 2.784 20 10 FFCDLO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)cc(F)c1O ZINC000903215931 736056756 /nfs/dbraw/zinc/05/67/56/736056756.db2.gz QYKFTEHYSXIKHM-NXEZZACHSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(F)cc(F)c1O ZINC000756469826 736334088 /nfs/dbraw/zinc/33/40/88/736334088.db2.gz KQWLQAWCKNCDED-JTQLQIEISA-N 1 2 356.394 2.893 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Br)cc(Cl)c1O ZINC000756610114 736347351 /nfs/dbraw/zinc/34/73/51/736347351.db2.gz IDLDIAIMOXUCEK-AMIZOPFISA-N 1 2 374.666 2.926 20 10 FFCDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756776488 736360500 /nfs/dbraw/zinc/36/05/00/736360500.db2.gz ZOYJOQBSLGXTGU-RWEMILLDSA-N 1 2 359.239 2.859 20 10 FFCDLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000764952677 737067098 /nfs/dbraw/zinc/06/70/98/737067098.db2.gz BLNDUKPXSBMFHT-FZKQIMNGSA-N 1 2 360.479 2.758 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000917388257 737755276 /nfs/dbraw/zinc/75/52/76/737755276.db2.gz XVYCDBBNOFTMJG-UHFFFAOYSA-N 1 2 361.511 2.996 20 10 FFCDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(Br)c1O)C[C@@H](C)O2 ZINC000790930630 739515120 /nfs/dbraw/zinc/51/51/20/739515120.db2.gz BETHSBFCZJFEBG-WQGACYEGSA-N 1 2 356.260 2.923 20 10 FFCDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cccc(Br)c1O)C[C@@H](C)O2 ZINC000790930630 739515122 /nfs/dbraw/zinc/51/51/22/739515122.db2.gz BETHSBFCZJFEBG-WQGACYEGSA-N 1 2 356.260 2.923 20 10 FFCDLO O=C(NCCCCn1cc[nH+]c1)NCc1cc(Br)ccc1O ZINC000804973849 740921543 /nfs/dbraw/zinc/92/15/43/740921543.db2.gz YJEIPLUWMAIRHU-UHFFFAOYSA-N 1 2 367.247 2.631 20 10 FFCDLO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000809697805 741333162 /nfs/dbraw/zinc/33/31/62/741333162.db2.gz OUCZCVQYMJTXFL-AWEZNQCLSA-N 1 2 355.841 2.955 20 10 FFCDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)s1 ZINC000818358304 742266844 /nfs/dbraw/zinc/26/68/44/742266844.db2.gz TYLNEYSDMFZKIH-VHSXEESVSA-N 1 2 364.423 2.834 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715792 743316784 /nfs/dbraw/zinc/31/67/84/743316784.db2.gz GSJUNIFVPBWFGI-CYBMUJFWSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715792 743316794 /nfs/dbraw/zinc/31/67/94/743316794.db2.gz GSJUNIFVPBWFGI-CYBMUJFWSA-N 1 2 362.289 2.554 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)cc(F)c1O ZINC000848565502 748962326 /nfs/dbraw/zinc/96/23/26/748962326.db2.gz XOALSOIPBFPERB-WCBMZHEXSA-N 1 2 369.238 2.630 20 10 FFCDLO C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(N(C)C)cc1 ZINC000773421476 1013335913 /nfs/dbraw/zinc/33/59/13/1013335913.db2.gz DRWBSPAMLOACDE-RDJZCZTQSA-N 1 2 353.470 2.787 20 10 FFCDLO COc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1Cn1cccn1 ZINC000873122186 1013393755 /nfs/dbraw/zinc/39/37/55/1013393755.db2.gz PMBMHHGOKAIGDE-UHFFFAOYSA-N 1 2 354.458 2.576 20 10 FFCDLO Oc1cc(F)c(F)cc1CN1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279108342 963743100 /nfs/dbraw/zinc/74/31/00/963743100.db2.gz UKRYGTBVNSXBGY-LJQANCHMSA-N 1 2 362.424 2.882 20 10 FFCDLO Oc1cc(F)c(F)cc1CN1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279108342 963743112 /nfs/dbraw/zinc/74/31/12/963743112.db2.gz UKRYGTBVNSXBGY-LJQANCHMSA-N 1 2 362.424 2.882 20 10 FFCDLO COc1ccc(C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)c(O)c1OC ZINC000891743487 965002792 /nfs/dbraw/zinc/00/27/92/965002792.db2.gz FPFHGJCQGIYBEJ-UHFFFAOYSA-N 1 2 374.437 2.577 20 10 FFCDLO CC1(c2nnc(C3CCOCC3)o2)C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000895366519 970495040 /nfs/dbraw/zinc/49/50/40/970495040.db2.gz WYFGFNIJGNTLPY-UHFFFAOYSA-N 1 2 365.380 2.721 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000796581200 1014406790 /nfs/dbraw/zinc/40/67/90/1014406790.db2.gz VMVYPTYSJYKHIB-YLJYHZDGSA-N 1 2 356.466 2.749 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000796581200 1014406794 /nfs/dbraw/zinc/40/67/94/1014406794.db2.gz VMVYPTYSJYKHIB-YLJYHZDGSA-N 1 2 356.466 2.749 20 10 FFCDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3O)Cc3cccnc3N2C1 ZINC000877690776 1014684982 /nfs/dbraw/zinc/68/49/82/1014684982.db2.gz HJULJWJMMHBNFN-CABCVRRESA-N 1 2 361.392 2.675 20 10 FFCDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3O)Cc3cccnc3N2C1 ZINC000877690776 1014684988 /nfs/dbraw/zinc/68/49/88/1014684988.db2.gz HJULJWJMMHBNFN-CABCVRRESA-N 1 2 361.392 2.675 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc4c(cc[nH]c4=O)o3)CC2)c(OC)c1 ZINC000877708616 1014692001 /nfs/dbraw/zinc/69/20/01/1014692001.db2.gz QLGHGPSPFVSJIT-UHFFFAOYSA-N 1 2 369.421 2.873 20 10 FFCDLO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccn2cc[nH+]c2c1 ZINC000761349754 985205005 /nfs/dbraw/zinc/20/50/05/985205005.db2.gz GUYRQQNRCZXNLA-UHFFFAOYSA-N 1 2 370.796 2.658 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1cccc(C)c1 ZINC001136875054 996936280 /nfs/dbraw/zinc/93/62/80/996936280.db2.gz WWZUQOFDZGJWBF-LAUBAEHRSA-N 1 2 368.525 2.767 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c(C)n1-c1cccc(C)c1 ZINC001136875054 996936295 /nfs/dbraw/zinc/93/62/95/996936295.db2.gz WWZUQOFDZGJWBF-LAUBAEHRSA-N 1 2 368.525 2.767 20 10 FFCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)CC12CC2 ZINC001144308722 998306765 /nfs/dbraw/zinc/30/67/65/998306765.db2.gz UUMCMKQAQGRENP-SNVBAGLBSA-N 1 2 358.207 2.679 20 10 FFCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)CC12CC2 ZINC001144308722 998306772 /nfs/dbraw/zinc/30/67/72/998306772.db2.gz UUMCMKQAQGRENP-SNVBAGLBSA-N 1 2 358.207 2.679 20 10 FFCDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001169137898 1000024627 /nfs/dbraw/zinc/02/46/27/1000024627.db2.gz XVFFYTCFXQBTFN-OAQYLSRUSA-N 1 2 365.477 2.505 20 10 FFCDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001169137898 1000024629 /nfs/dbraw/zinc/02/46/29/1000024629.db2.gz XVFFYTCFXQBTFN-OAQYLSRUSA-N 1 2 365.477 2.505 20 10 FFCDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768252279 1000200445 /nfs/dbraw/zinc/20/04/45/1000200445.db2.gz IHPWBRZPCWTBQI-UHFFFAOYSA-N 1 2 370.449 2.758 20 10 FFCDLO CCc1ccc(C(=O)N2CC[NH+](Cc3c(O)cccc3OC)CC2)cc1 ZINC000768333572 1000211963 /nfs/dbraw/zinc/21/19/63/1000211963.db2.gz ASMOJYXHGRUZOO-UHFFFAOYSA-N 1 2 354.450 2.921 20 10 FFCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769498064 1000534156 /nfs/dbraw/zinc/53/41/56/1000534156.db2.gz LAVQIPHZYMQANK-GOSISDBHSA-N 1 2 364.461 2.968 20 10 FFCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769498064 1000534160 /nfs/dbraw/zinc/53/41/60/1000534160.db2.gz LAVQIPHZYMQANK-GOSISDBHSA-N 1 2 364.461 2.968 20 10 FFCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001147887646 1000992957 /nfs/dbraw/zinc/99/29/57/1000992957.db2.gz CPRRGZBIXSWRHJ-UHFFFAOYSA-N 1 2 362.433 2.906 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+]2CCN[C@@H](C(F)(F)F)C2)c1O ZINC001236994925 1038401105 /nfs/dbraw/zinc/40/11/05/1038401105.db2.gz GLTXEQKCQXWIMH-LLVKDONJSA-N 1 2 353.182 2.799 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+]2CCN[C@@H](C(F)(F)F)C2)c1O ZINC001236994925 1038401113 /nfs/dbraw/zinc/40/11/13/1038401113.db2.gz GLTXEQKCQXWIMH-LLVKDONJSA-N 1 2 353.182 2.799 20 10 FFCDLO CCCCN1CC2(C[NH+](Cc3cccc(C(C)(C)C)c3O)C2)OCC1=O ZINC001276247201 1016613233 /nfs/dbraw/zinc/61/32/33/1016613233.db2.gz DRFNFJNELBLGHT-UHFFFAOYSA-N 1 2 360.498 2.903 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nnnn1C1CC1 ZINC000791008863 1002541958 /nfs/dbraw/zinc/54/19/58/1002541958.db2.gz KCFFPPDFFPUVGV-CYBMUJFWSA-N 1 2 371.445 2.757 20 10 FFCDLO COc1cc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850339356 1005808733 /nfs/dbraw/zinc/80/87/33/1005808733.db2.gz QAPIQANHIWKIPK-OAHLLOKOSA-N 1 2 360.458 2.958 20 10 FFCDLO Cc1ccccc1Nc1nc(N)nc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000109772583 1005862352 /nfs/dbraw/zinc/86/23/52/1005862352.db2.gz WWBNLTJRXWFWPK-UHFFFAOYSA-N 1 2 350.426 2.843 20 10 FFCDLO Cc1ccccc1Nc1nc(N)nc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000109772583 1005862354 /nfs/dbraw/zinc/86/23/54/1005862354.db2.gz WWBNLTJRXWFWPK-UHFFFAOYSA-N 1 2 350.426 2.843 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC(O)(CO)CC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000852499568 1006057491 /nfs/dbraw/zinc/05/74/91/1006057491.db2.gz RONHUCAFHVLTAK-UHFFFAOYSA-N 1 2 374.456 2.544 20 10 FFCDLO Cc1nc2[nH]ccc2c(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[nH+]1 ZINC000884693755 1007509801 /nfs/dbraw/zinc/50/98/01/1007509801.db2.gz NLPFVURUJLRAGW-UHFFFAOYSA-N 1 2 364.453 2.580 20 10 FFCDLO Cc1cc(NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)n(C)n1 ZINC000114721149 1008030246 /nfs/dbraw/zinc/03/02/46/1008030246.db2.gz CBNUAFGYKDFDTP-UHFFFAOYSA-N 1 2 354.410 2.668 20 10 FFCDLO Cc1cc(NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)n(C)n1 ZINC000114721149 1008030251 /nfs/dbraw/zinc/03/02/51/1008030251.db2.gz CBNUAFGYKDFDTP-UHFFFAOYSA-N 1 2 354.410 2.668 20 10 FFCDLO CCOC(=O)C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccccc1O ZINC000823581435 1009118579 /nfs/dbraw/zinc/11/85/79/1009118579.db2.gz KFPWQNAVYOUXEJ-UHFFFAOYSA-N 1 2 374.412 2.925 20 10 FFCDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccccc1O ZINC000823581435 1009118582 /nfs/dbraw/zinc/11/85/82/1009118582.db2.gz KFPWQNAVYOUXEJ-UHFFFAOYSA-N 1 2 374.412 2.925 20 10 FFCDLO C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000118992982 1009893169 /nfs/dbraw/zinc/89/31/69/1009893169.db2.gz NCVRTNMIGMBOGV-KRWDZBQOSA-N 1 2 371.485 2.512 20 10 FFCDLO C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(C(F)(F)F)c1O ZINC000866627490 1011026382 /nfs/dbraw/zinc/02/63/82/1011026382.db2.gz BKBYLKRDJQEBKF-SECBINFHSA-N 1 2 369.343 2.830 20 10 FFCDLO COc1ccc(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)cc1 ZINC001217056617 1032598847 /nfs/dbraw/zinc/59/88/47/1032598847.db2.gz MQILGVSCULMVNI-UHFFFAOYSA-N 1 2 367.405 2.950 20 10 FFCDLO CC(=O)c1cc(F)cc(CN2CC[NH+](CCOc3ccccc3)CC2)c1O ZINC000750816904 1022575610 /nfs/dbraw/zinc/57/56/10/1022575610.db2.gz CDSRKYNEMRUAJK-UHFFFAOYSA-N 1 2 372.440 2.931 20 10 FFCDLO O=c1c2ccc(O)cc2oc(-c2ccc(O)c(O)c2)c1O[C@H]1CCC[NH2+]C1 ZINC001218283924 1033086345 /nfs/dbraw/zinc/08/63/45/1033086345.db2.gz LRTGIUFASHVZAH-ZDUSSCGKSA-N 1 2 369.373 2.708 20 10 FFCDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c(F)c1 ZINC000759114657 1024474953 /nfs/dbraw/zinc/47/49/53/1024474953.db2.gz WJXXVLDWWRYOGZ-UHFFFAOYSA-N 1 2 358.413 2.943 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CC(C)(CO)CO)c(C)n1-c1cccc(C)c1 ZINC000759169395 1024502346 /nfs/dbraw/zinc/50/23/46/1024502346.db2.gz WMLOLQGGXKVQNW-UHFFFAOYSA-N 1 2 358.482 2.508 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CC(C)(CO)CO)c(C)n1-c1cccc(C)c1 ZINC000759169395 1024502354 /nfs/dbraw/zinc/50/23/54/1024502354.db2.gz WMLOLQGGXKVQNW-UHFFFAOYSA-N 1 2 358.482 2.508 20 10 FFCDLO CN1CCOc2cc(C[NH+]3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21 ZINC001141142757 1025513520 /nfs/dbraw/zinc/51/35/20/1025513520.db2.gz ABXPRPMPVQLFIX-UHFFFAOYSA-N 1 2 369.440 2.612 20 10 FFCDLO Oc1ccc(O)c(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)c1 ZINC001141159038 1025540252 /nfs/dbraw/zinc/54/02/52/1025540252.db2.gz WWUZULUYYJLGKS-UHFFFAOYSA-N 1 2 353.378 2.618 20 10 FFCDLO Oc1ccc(O)c(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)c1 ZINC001141159038 1025540268 /nfs/dbraw/zinc/54/02/68/1025540268.db2.gz WWUZULUYYJLGKS-UHFFFAOYSA-N 1 2 353.378 2.618 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NCCc3cn(C)c[nH+]3)c2C)cc1 ZINC000837716288 1025980024 /nfs/dbraw/zinc/98/00/24/1025980024.db2.gz SIKRXJUROZPWOW-UHFFFAOYSA-N 1 2 352.438 2.809 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839547614 1026727193 /nfs/dbraw/zinc/72/71/93/1026727193.db2.gz JHHUDRFSQJHPQJ-UHFFFAOYSA-N 1 2 366.421 2.807 20 10 FFCDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N4CCCC4)cc3)[nH+]cn2)C1 ZINC000840242936 1027016515 /nfs/dbraw/zinc/01/65/15/1027016515.db2.gz FHFVPTGAERLONE-SJLPKXTDSA-N 1 2 367.497 2.896 20 10 FFCDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N4CCCC4)cc3)nc[nH+]2)C1 ZINC000840242936 1027016523 /nfs/dbraw/zinc/01/65/23/1027016523.db2.gz FHFVPTGAERLONE-SJLPKXTDSA-N 1 2 367.497 2.896 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000840351450 1027056366 /nfs/dbraw/zinc/05/63/66/1027056366.db2.gz MJLDGTIKLYKINS-NVXWUHKLSA-N 1 2 355.486 2.503 20 10 FFCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154219259 1028192595 /nfs/dbraw/zinc/19/25/95/1028192595.db2.gz SFUTZAGZZXUDSO-UHFFFAOYSA-N 1 2 358.511 2.859 20 10 FFCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154219259 1028192601 /nfs/dbraw/zinc/19/26/01/1028192601.db2.gz SFUTZAGZZXUDSO-UHFFFAOYSA-N 1 2 358.511 2.859 20 10 FFCDLO COc1cccc(OCC[NH+]2CCN(C(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000841299181 1030167752 /nfs/dbraw/zinc/16/77/52/1030167752.db2.gz VXAQDZFFZWZWHL-UHFFFAOYSA-N 1 2 370.453 2.506 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2nnn(CC3CC3)c21 ZINC001203622227 1030788839 /nfs/dbraw/zinc/78/88/39/1030788839.db2.gz VBITYWPERUBNID-INIZCTEOSA-N 1 2 372.469 2.538 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2nnn(CC3CC3)c21 ZINC001203622227 1030788853 /nfs/dbraw/zinc/78/88/53/1030788853.db2.gz VBITYWPERUBNID-INIZCTEOSA-N 1 2 372.469 2.538 20 10 FFCDLO COCc1noc2c1C[N@H+](Cc1cc(Br)ccc1O)CC2 ZINC001203643351 1030800827 /nfs/dbraw/zinc/80/08/27/1030800827.db2.gz OEPDSKCGQITSLN-UHFFFAOYSA-N 1 2 353.216 2.847 20 10 FFCDLO COCc1noc2c1C[N@@H+](Cc1cc(Br)ccc1O)CC2 ZINC001203643351 1030800844 /nfs/dbraw/zinc/80/08/44/1030800844.db2.gz OEPDSKCGQITSLN-UHFFFAOYSA-N 1 2 353.216 2.847 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCC1=O ZINC001204235109 1031180546 /nfs/dbraw/zinc/18/05/46/1031180546.db2.gz GDZGKGXZLJTKIN-GOSISDBHSA-N 1 2 354.450 2.860 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCC1=O ZINC001204235109 1031180548 /nfs/dbraw/zinc/18/05/48/1031180548.db2.gz GDZGKGXZLJTKIN-GOSISDBHSA-N 1 2 354.450 2.860 20 10 FFCDLO COc1cc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc(O)c1O ZINC001204346033 1031243394 /nfs/dbraw/zinc/24/33/94/1031243394.db2.gz KADBXBUYCIVMHU-UHFFFAOYSA-N 1 2 365.433 2.977 20 10 FFCDLO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(Cl)cc2O)C1=O ZINC001276967123 1033863175 /nfs/dbraw/zinc/86/31/75/1033863175.db2.gz DHILDKKRWOSSPV-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO COCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(Cl)cc2O)C1=O ZINC001276967123 1033863187 /nfs/dbraw/zinc/86/31/87/1033863187.db2.gz DHILDKKRWOSSPV-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC001138498080 1034337357 /nfs/dbraw/zinc/33/73/57/1034337357.db2.gz QNLXCRPXEDWFMS-KDURUIRLSA-N 1 2 373.497 2.717 20 10 FFCDLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC001138498080 1034337367 /nfs/dbraw/zinc/33/73/67/1034337367.db2.gz QNLXCRPXEDWFMS-KDURUIRLSA-N 1 2 373.497 2.717 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(Oc2ncccn2)CC1 ZINC001139129300 1034959117 /nfs/dbraw/zinc/95/91/17/1034959117.db2.gz VEGGRNKCOWXJOL-UHFFFAOYSA-N 1 2 367.405 2.640 20 10 FFCDLO CC(=O)N1CC[C@@H]([N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C(C)C)C1 ZINC001139133257 1034961990 /nfs/dbraw/zinc/96/19/90/1034961990.db2.gz GLMBNUYWDQMBJD-OAHLLOKOSA-N 1 2 358.438 2.638 20 10 FFCDLO CC(=O)N1CC[C@@H]([N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C(C)C)C1 ZINC001139133257 1034961999 /nfs/dbraw/zinc/96/19/99/1034961999.db2.gz GLMBNUYWDQMBJD-OAHLLOKOSA-N 1 2 358.438 2.638 20 10 FFCDLO CCO[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2O)[C@H]1Cc1cnn(C)c1 ZINC001139682121 1035197132 /nfs/dbraw/zinc/19/71/32/1035197132.db2.gz PLWLIIFFHXDPJE-IRXDYDNUSA-N 1 2 351.397 2.626 20 10 FFCDLO CCO[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2O)[C@H]1Cc1cnn(C)c1 ZINC001139682121 1035197135 /nfs/dbraw/zinc/19/71/35/1035197135.db2.gz PLWLIIFFHXDPJE-IRXDYDNUSA-N 1 2 351.397 2.626 20 10 FFCDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140338925 1035443602 /nfs/dbraw/zinc/44/36/02/1035443602.db2.gz BCOIJTZWCCDFRK-LJQANCHMSA-N 1 2 366.889 2.895 20 10 FFCDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140338925 1035443606 /nfs/dbraw/zinc/44/36/06/1035443606.db2.gz BCOIJTZWCCDFRK-LJQANCHMSA-N 1 2 366.889 2.895 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(F)C[N@H+](Cc3c(C)cc(C)cc3O)C[C@@]2(F)C1=O ZINC001277204740 1035529902 /nfs/dbraw/zinc/52/99/02/1035529902.db2.gz VTJNHUFXSNYELC-MDASCCDHSA-N 1 2 352.425 2.882 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(F)C[N@@H+](Cc3c(C)cc(C)cc3O)C[C@@]2(F)C1=O ZINC001277204740 1035529916 /nfs/dbraw/zinc/52/99/16/1035529916.db2.gz VTJNHUFXSNYELC-MDASCCDHSA-N 1 2 352.425 2.882 20 10 FFCDLO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231502 1035671204 /nfs/dbraw/zinc/67/12/04/1035671204.db2.gz CNTHGWJNTWCVCG-SFHVURJKSA-N 1 2 352.862 2.649 20 10 FFCDLO COCCCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231502 1035671210 /nfs/dbraw/zinc/67/12/10/1035671210.db2.gz CNTHGWJNTWCVCG-SFHVURJKSA-N 1 2 352.862 2.649 20 10 FFCDLO Cn1cncc1CN1CC[C@]2(CCC[N@@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277232095 1035677707 /nfs/dbraw/zinc/67/77/07/1035677707.db2.gz KJMXPETUVFKESP-LJQANCHMSA-N 1 2 374.872 2.546 20 10 FFCDLO Cn1cncc1CN1CC[C@]2(CCC[N@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277232095 1035677709 /nfs/dbraw/zinc/67/77/09/1035677709.db2.gz KJMXPETUVFKESP-LJQANCHMSA-N 1 2 374.872 2.546 20 10 FFCDLO COCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232147 1035678068 /nfs/dbraw/zinc/67/80/68/1035678068.db2.gz LMADHDHMJDVTSE-HNNXBMFYSA-N 1 2 366.889 2.800 20 10 FFCDLO CCOc1ccnc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)c1 ZINC001232587882 1035846461 /nfs/dbraw/zinc/84/64/61/1035846461.db2.gz MTTYEFXXRXAFQD-UHFFFAOYSA-N 1 2 357.454 2.820 20 10 FFCDLO Cc1cccc(O)c1C[N@@H+]1C[C@]2(F)CN(CC3CCCC3)C(=O)[C@]2(F)C1 ZINC001277314681 1036189669 /nfs/dbraw/zinc/18/96/69/1036189669.db2.gz CUQIQDBQZJLOJP-VQTJNVASSA-N 1 2 364.436 2.965 20 10 FFCDLO Cc1cccc(O)c1C[N@H+]1C[C@]2(F)CN(CC3CCCC3)C(=O)[C@]2(F)C1 ZINC001277314681 1036189677 /nfs/dbraw/zinc/18/96/77/1036189677.db2.gz CUQIQDBQZJLOJP-VQTJNVASSA-N 1 2 364.436 2.965 20 10 FFCDLO Oc1cc(Br)cc(F)c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001233030878 1036271512 /nfs/dbraw/zinc/27/15/12/1036271512.db2.gz QQBSMGVTPNNIJP-CYBMUJFWSA-N 1 2 373.266 2.590 20 10 FFCDLO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4c(O)ccc(F)c4F)C[C@H]3O2)n1 ZINC001233333214 1036538660 /nfs/dbraw/zinc/53/86/60/1036538660.db2.gz OAGUJQJBNZSMPT-COLVAYQJSA-N 1 2 351.353 2.714 20 10 FFCDLO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4c(O)ccc(F)c4F)C[C@H]3O2)n1 ZINC001233333214 1036538674 /nfs/dbraw/zinc/53/86/74/1036538674.db2.gz OAGUJQJBNZSMPT-COLVAYQJSA-N 1 2 351.353 2.714 20 10 FFCDLO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(O)ccc(F)c3F)C2)n1 ZINC001233336685 1036544295 /nfs/dbraw/zinc/54/42/95/1036544295.db2.gz VSMMWAJNEQARKT-LLVKDONJSA-N 1 2 351.353 2.512 20 10 FFCDLO COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3c(O)ccc(F)c3F)C2)n1 ZINC001233336685 1036544306 /nfs/dbraw/zinc/54/43/06/1036544306.db2.gz VSMMWAJNEQARKT-LLVKDONJSA-N 1 2 351.353 2.512 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC(C)(NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141028981 1036768237 /nfs/dbraw/zinc/76/82/37/1036768237.db2.gz GCQBMZBGYFGNRF-UHFFFAOYSA-N 1 2 352.431 2.508 20 10 FFCDLO CC(C)CN1CC2(C[NH+](Cc3cc4ccccc4cc3O)C2)OCC1=O ZINC001277849165 1036997482 /nfs/dbraw/zinc/99/74/82/1036997482.db2.gz QYILNMWDXAYVNH-UHFFFAOYSA-N 1 2 354.450 2.615 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001235067956 1037339759 /nfs/dbraw/zinc/33/97/59/1037339759.db2.gz AWXDRBNKEZBFMN-UHFFFAOYSA-N 1 2 355.211 2.722 20 10 FFCDLO COC(=O)c1ccnc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)c1 ZINC001235209181 1037413042 /nfs/dbraw/zinc/41/30/42/1037413042.db2.gz CBDRQHYHMSVBHQ-UHFFFAOYSA-N 1 2 355.438 2.507 20 10 FFCDLO O=C1NCCCC12CC[NH+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001235303367 1037463642 /nfs/dbraw/zinc/46/36/42/1037463642.db2.gz NIHKNBCUZUZMNL-UHFFFAOYSA-N 1 2 371.250 2.786 20 10 FFCDLO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc[nH+]2)cc1 ZINC001277941081 1037516513 /nfs/dbraw/zinc/51/65/13/1037516513.db2.gz ZAFKGGDEUKFSKD-RTBURBONSA-N 1 2 350.466 2.918 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2nnn(CC)c21 ZINC001231851739 1037948078 /nfs/dbraw/zinc/94/80/78/1037948078.db2.gz BBXJTJWOTUGPME-INIZCTEOSA-N 1 2 373.501 2.509 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2nnn(CC)c21 ZINC001231851739 1037948093 /nfs/dbraw/zinc/94/80/93/1037948093.db2.gz BBXJTJWOTUGPME-INIZCTEOSA-N 1 2 373.501 2.509 20 10 FFCDLO COc1ccc(N2CCCC[C@]23CC(=O)N(Cc2c[nH+]cn2C)C3)cc1 ZINC001277990611 1038161291 /nfs/dbraw/zinc/16/12/91/1038161291.db2.gz PHYCLSHRRCRSMI-HXUWFJFHSA-N 1 2 354.454 2.590 20 10 FFCDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023115 1038331019 /nfs/dbraw/zinc/33/10/19/1038331019.db2.gz LAMJZOLDSUODIX-COLVAYQJSA-N 1 2 368.836 2.728 20 10 FFCDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278023115 1038331028 /nfs/dbraw/zinc/33/10/28/1038331028.db2.gz LAMJZOLDSUODIX-COLVAYQJSA-N 1 2 368.836 2.728 20 10 FFCDLO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC001236920813 1038356686 /nfs/dbraw/zinc/35/66/86/1038356686.db2.gz YRANSZZCWUQZOF-UHFFFAOYSA-N 1 2 352.862 2.516 20 10 FFCDLO Clc1cc(N2CCOCC2)ccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC001236920813 1038356713 /nfs/dbraw/zinc/35/67/13/1038356713.db2.gz YRANSZZCWUQZOF-UHFFFAOYSA-N 1 2 352.862 2.516 20 10 FFCDLO O=C(NCC(F)(F)F)N1CCC12C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001278491259 1039885101 /nfs/dbraw/zinc/88/51/01/1039885101.db2.gz SEVQKMRASNMBIC-UHFFFAOYSA-N 1 2 363.767 2.578 20 10 FFCDLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC001260387814 1040569211 /nfs/dbraw/zinc/56/92/11/1040569211.db2.gz UTLSJCKFKYZXIS-UHFFFAOYSA-N 1 2 371.447 2.986 20 10 FFCDLO CCn1ccnc1CN1CCC2(C[NH+](Cc3cccc(Cl)c3O)C2)C1 ZINC001279441553 1043115502 /nfs/dbraw/zinc/11/55/02/1043115502.db2.gz FELOBGWYEMAIPB-UHFFFAOYSA-N 1 2 360.889 2.970 20 10 FFCDLO COc1ccc(N2CCC[C@@]23CCN(Cc2c[nH+]cn2C)C3=O)c(C)c1 ZINC001278092541 1043137409 /nfs/dbraw/zinc/13/74/09/1043137409.db2.gz LYJNGGBILJZPFR-FQEVSTJZSA-N 1 2 354.454 2.509 20 10 FFCDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(O)ccc(F)c1F ZINC001279491098 1043177773 /nfs/dbraw/zinc/17/77/73/1043177773.db2.gz VELFHCMHKCMYHZ-TXEJJXNPSA-N 1 2 351.422 2.894 20 10 FFCDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(O)ccc(F)c1F ZINC001279491098 1043177780 /nfs/dbraw/zinc/17/77/80/1043177780.db2.gz VELFHCMHKCMYHZ-TXEJJXNPSA-N 1 2 351.422 2.894 20 10 FFCDLO Oc1c(I)cccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237775444 1043348514 /nfs/dbraw/zinc/34/85/14/1043348514.db2.gz GCPXEJRUNNFHPD-MFKMUULPSA-N 1 2 359.207 2.608 20 10 FFCDLO Oc1c(I)cccc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237775444 1043348522 /nfs/dbraw/zinc/34/85/22/1043348522.db2.gz GCPXEJRUNNFHPD-MFKMUULPSA-N 1 2 359.207 2.608 20 10 FFCDLO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237800885 1043365322 /nfs/dbraw/zinc/36/53/22/1043365322.db2.gz DESGCRBCKQGYHK-AWEZNQCLSA-N 1 2 358.841 2.644 20 10 FFCDLO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237800885 1043365327 /nfs/dbraw/zinc/36/53/27/1043365327.db2.gz DESGCRBCKQGYHK-AWEZNQCLSA-N 1 2 358.841 2.644 20 10 FFCDLO Oc1cc(Cl)c(F)cc1CN1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001237936887 1043444685 /nfs/dbraw/zinc/44/46/85/1043444685.db2.gz HSNWAFIVQAWWQQ-UHFFFAOYSA-N 1 2 362.792 2.976 20 10 FFCDLO COCCOC[N@@H+]1CCC2(CN(Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001279686416 1043467807 /nfs/dbraw/zinc/46/78/07/1043467807.db2.gz YVCCREZSNUOSKK-UHFFFAOYSA-N 1 2 374.403 2.539 20 10 FFCDLO COCCOC[N@H+]1CCC2(CN(Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001279686416 1043467813 /nfs/dbraw/zinc/46/78/13/1043467813.db2.gz YVCCREZSNUOSKK-UHFFFAOYSA-N 1 2 374.403 2.539 20 10 FFCDLO Cc1cc(Br)cc(CN2CCC[C@]3(C2)C[N@@H+](C)CCO3)c1O ZINC001279698970 1043491780 /nfs/dbraw/zinc/49/17/80/1043491780.db2.gz FNGQYWSBGDZJNW-QGZVFWFLSA-N 1 2 369.303 2.760 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCCCO2)c(Cl)c1 ZINC001280044492 1044128744 /nfs/dbraw/zinc/12/87/44/1044128744.db2.gz KKZMCQHDFHAZSJ-BEFAXECRSA-N 1 2 363.889 2.924 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCCCO2)c(Cl)c1 ZINC001280044492 1044128749 /nfs/dbraw/zinc/12/87/49/1044128749.db2.gz KKZMCQHDFHAZSJ-BEFAXECRSA-N 1 2 363.889 2.924 20 10 FFCDLO Cc1ccc(O)c(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC001312824355 1044178124 /nfs/dbraw/zinc/17/81/24/1044178124.db2.gz ZHPGMMDLSAYNBL-UHFFFAOYSA-N 1 2 350.422 2.945 20 10 FFCDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC001320225858 1045371487 /nfs/dbraw/zinc/37/14/87/1045371487.db2.gz HDVCIJNJOAQIEH-GOSISDBHSA-N 1 2 367.493 2.912 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC001322873211 1046255039 /nfs/dbraw/zinc/25/50/39/1046255039.db2.gz ZOGXKFOIQORBQQ-FXAWDEMLSA-N 1 2 359.514 2.902 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)cc1 ZINC001340946686 1051278985 /nfs/dbraw/zinc/27/89/85/1051278985.db2.gz VSLAYCBLXZDFRA-UHFFFAOYSA-N 1 2 359.514 2.998 20 10 FFCDLO Cc1nc(NCc2cccc(C(=O)NCc3c(O)cccc3O)c2)cc[nH+]1 ZINC001304053568 1051515522 /nfs/dbraw/zinc/51/55/22/1051515522.db2.gz OAPUTIUYOMWUPN-UHFFFAOYSA-N 1 2 364.405 2.738 20 10 FFCDLO C[C@H]([NH2+]CCOCCCO)c1cc(Br)cc(Cl)c1O ZINC001345425637 1052439863 /nfs/dbraw/zinc/43/98/63/1052439863.db2.gz BFLCDLZCSIMTMW-VIFPVBQESA-N 1 2 352.656 2.858 20 10 FFCDLO COCCN(CC[NH+](C)C)Cc1cc(Cl)cc(Br)c1O ZINC001308742804 1052493548 /nfs/dbraw/zinc/49/35/48/1052493548.db2.gz MXTVTZPNJHUTDT-UHFFFAOYSA-N 1 2 365.699 2.818 20 10 FFCDLO C[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589977740 1080916973 /nfs/dbraw/zinc/91/69/73/1080916973.db2.gz HPSLBGMZPFBAMR-UGSOOPFHSA-N 1 2 357.458 2.962 20 10 FFCDLO COc1c(O)c(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000372979951 512116453 /nfs/dbraw/zinc/11/64/53/512116453.db2.gz YTJDIFZCCNMPGP-LBPRGKRZSA-N 1 2 369.381 2.741 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@H](COC(C)C)C2)c1O ZINC000373488317 512356618 /nfs/dbraw/zinc/35/66/18/512356618.db2.gz COMXMSYHGSCEGI-AWEZNQCLSA-N 1 2 374.275 2.789 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@H](COC(C)C)C2)c1O ZINC000373488317 512356625 /nfs/dbraw/zinc/35/66/25/512356625.db2.gz COMXMSYHGSCEGI-AWEZNQCLSA-N 1 2 374.275 2.789 20 10 FFCDLO C[C@@H]1CN(c2ccc(CNc3[nH+]cnc4c3cnn4C)cc2F)C[C@H](C)O1 ZINC000052457209 507809868 /nfs/dbraw/zinc/80/98/68/507809868.db2.gz YFEDVHVXFXZAGQ-BETUJISGSA-N 1 2 370.432 2.728 20 10 FFCDLO CN(C)c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1F ZINC000110382000 508025083 /nfs/dbraw/zinc/02/50/83/508025083.db2.gz KUXVCRATBFHLFV-OAHLLOKOSA-N 1 2 359.449 2.503 20 10 FFCDLO CN(C)c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1F ZINC000110382000 508025087 /nfs/dbraw/zinc/02/50/87/508025087.db2.gz KUXVCRATBFHLFV-OAHLLOKOSA-N 1 2 359.449 2.503 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(N)=O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000081540300 508187590 /nfs/dbraw/zinc/18/75/90/508187590.db2.gz ORMTWEBOSIUXSU-UHFFFAOYSA-N 1 2 368.481 2.718 20 10 FFCDLO CC[N@H+](Cc1nc(N(C)C)no1)Cc1cc(Br)ccc1O ZINC000192734547 509621110 /nfs/dbraw/zinc/62/11/10/509621110.db2.gz LECYDHMFCLPLDU-UHFFFAOYSA-N 1 2 355.236 2.626 20 10 FFCDLO CC[N@@H+](Cc1nc(N(C)C)no1)Cc1cc(Br)ccc1O ZINC000192734547 509621117 /nfs/dbraw/zinc/62/11/17/509621117.db2.gz LECYDHMFCLPLDU-UHFFFAOYSA-N 1 2 355.236 2.626 20 10 FFCDLO Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)[nH+]1 ZINC000176769776 509680658 /nfs/dbraw/zinc/68/06/58/509680658.db2.gz ZGVLOSZDGJJCCR-UHFFFAOYSA-N 1 2 358.417 2.996 20 10 FFCDLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000288672713 511083083 /nfs/dbraw/zinc/08/30/83/511083083.db2.gz HAZKSTNJJPNVRC-ZDUSSCGKSA-N 1 2 364.396 2.729 20 10 FFCDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000271155970 511100839 /nfs/dbraw/zinc/10/08/39/511100839.db2.gz HJXXDBBRXBBBDI-UHFFFAOYSA-N 1 2 369.421 2.779 20 10 FFCDLO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2noc(COC(C)C)n2)c1O ZINC000289441277 511101709 /nfs/dbraw/zinc/10/17/09/511101709.db2.gz FAQDXXGEZOYIHQ-SNVBAGLBSA-N 1 2 351.378 2.893 20 10 FFCDLO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000273386045 511524780 /nfs/dbraw/zinc/52/47/80/511524780.db2.gz JPNJUDSHVAGEKT-NSHDSACASA-N 1 2 360.285 2.514 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273480401 511529717 /nfs/dbraw/zinc/52/97/17/511529717.db2.gz UGXFSUWUGHORAI-SUMWQHHRSA-N 1 2 370.409 2.537 20 10 FFCDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000365638481 511574284 /nfs/dbraw/zinc/57/42/84/511574284.db2.gz MHIVHYRKOKSATK-GOSISDBHSA-N 1 2 367.497 2.892 20 10 FFCDLO COc1cc(N2CCN(c3cc[nH+]c(C4CC4)n3)CC2)cc(OC)c1OC ZINC000302175602 511707072 /nfs/dbraw/zinc/70/70/72/511707072.db2.gz WUNXODXQCAQEFH-UHFFFAOYSA-N 1 2 370.453 2.706 20 10 FFCDLO CCn1nc(C)c(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000296443898 511744673 /nfs/dbraw/zinc/74/46/73/511744673.db2.gz NVQACSFJKZDUMW-OKILXGFUSA-N 1 2 361.465 2.649 20 10 FFCDLO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2O)CC1)C(F)(F)F ZINC000281237407 511770150 /nfs/dbraw/zinc/77/01/50/511770150.db2.gz LNGHEPNJDCEBCA-UHFFFAOYSA-N 1 2 350.768 2.936 20 10 FFCDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](CC)c2ccc(F)cc2O)CC1 ZINC000296641016 511832970 /nfs/dbraw/zinc/83/29/70/511832970.db2.gz YCHOVOOLMTUUNR-SGANQWHYSA-N 1 2 371.474 2.759 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCn4c[nH+]cc4C3)ccc21 ZINC000623304602 521926513 /nfs/dbraw/zinc/92/65/13/521926513.db2.gz AYTKNMVXXQEYCP-KRWDZBQOSA-N 1 2 366.465 2.846 20 10 FFCDLO O=C(NCCCSc1nccs1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154566641 728806959 /nfs/dbraw/zinc/80/69/59/728806959.db2.gz GLOZZZWKFCNPLT-CQSZACIVSA-N 1 2 364.496 2.883 20 10 FFCDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866067 728426527 /nfs/dbraw/zinc/42/65/27/728426527.db2.gz JCNMBPWOXUSHTF-HNNXBMFYSA-N 1 2 351.466 2.651 20 10 FFCDLO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)c(F)cc1O ZINC000756586471 736345399 /nfs/dbraw/zinc/34/53/99/736345399.db2.gz SIGVUKYRNAZIPN-VIFPVBQESA-N 1 2 359.239 2.990 20 10 FFCDLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000856595182 730346680 /nfs/dbraw/zinc/34/66/80/730346680.db2.gz PSESZXAMRITKGS-QGZVFWFLSA-N 1 2 369.824 2.700 20 10 FFCDLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000856595182 730346683 /nfs/dbraw/zinc/34/66/83/730346683.db2.gz PSESZXAMRITKGS-QGZVFWFLSA-N 1 2 369.824 2.700 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862349197 730690533 /nfs/dbraw/zinc/69/05/33/730690533.db2.gz SGFFBIQEMBIVIO-LLVKDONJSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862349197 730690535 /nfs/dbraw/zinc/69/05/35/730690535.db2.gz SGFFBIQEMBIVIO-LLVKDONJSA-N 1 2 362.289 2.554 20 10 FFCDLO CC(C)n1ncnc1CN[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000865462368 730958220 /nfs/dbraw/zinc/95/82/20/730958220.db2.gz MOJDXYCOJFMUGZ-MRXNPFEDSA-N 1 2 363.893 2.972 20 10 FFCDLO CC(C)n1ncnc1CN[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000865462368 730958223 /nfs/dbraw/zinc/95/82/23/730958223.db2.gz MOJDXYCOJFMUGZ-MRXNPFEDSA-N 1 2 363.893 2.972 20 10 FFCDLO Cc1cc(Br)cc(C[NH+]2CCN(C(=O)C3CC3)CC2)c1O ZINC000775646888 738109215 /nfs/dbraw/zinc/10/92/15/738109215.db2.gz PLVGVLIWLHDVJP-UHFFFAOYSA-N 1 2 353.260 2.517 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Br)cc(Cl)c1O ZINC000872141224 731733215 /nfs/dbraw/zinc/73/32/15/731733215.db2.gz RAQOVGNEQZLOEK-NZXMKCKXSA-N 1 2 350.640 2.609 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000877701432 732416394 /nfs/dbraw/zinc/41/63/94/732416394.db2.gz WDVMSLGBFPHHTF-QWRGUYRKSA-N 1 2 365.065 2.920 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000781896714 738668882 /nfs/dbraw/zinc/66/88/82/738668882.db2.gz MMPVRCNKJZMLFE-ZDUSSCGKSA-N 1 2 374.300 2.615 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000781896714 738668884 /nfs/dbraw/zinc/66/88/84/738668884.db2.gz MMPVRCNKJZMLFE-ZDUSSCGKSA-N 1 2 374.300 2.615 20 10 FFCDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2cc(Cl)ccc2O)C1 ZINC000882320179 733208354 /nfs/dbraw/zinc/20/83/54/733208354.db2.gz GLRVXRXUKUWSFY-UHFFFAOYSA-N 1 2 366.870 2.512 20 10 FFCDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2cc(Cl)ccc2O)C1 ZINC000882320179 733208356 /nfs/dbraw/zinc/20/83/56/733208356.db2.gz GLRVXRXUKUWSFY-UHFFFAOYSA-N 1 2 366.870 2.512 20 10 FFCDLO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1cc(Br)cc(F)c1O ZINC000927156811 738698106 /nfs/dbraw/zinc/69/81/06/738698106.db2.gz RARDKZXTKDLYJO-QCZZGDTMSA-N 1 2 374.250 2.874 20 10 FFCDLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000882995547 733319476 /nfs/dbraw/zinc/31/94/76/733319476.db2.gz CHFLKPOSZIOEIF-MRVPVSSYSA-N 1 2 370.696 2.721 20 10 FFCDLO CN(C)C(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893901584 734769428 /nfs/dbraw/zinc/76/94/28/734769428.db2.gz BRZQCCYYMSLITJ-UHFFFAOYSA-N 1 2 359.239 2.594 20 10 FFCDLO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894021717 734788223 /nfs/dbraw/zinc/78/82/23/734788223.db2.gz YSXICRAYKPUOCE-VIFPVBQESA-N 1 2 361.667 2.766 20 10 FFCDLO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894021717 734788227 /nfs/dbraw/zinc/78/82/27/734788227.db2.gz YSXICRAYKPUOCE-VIFPVBQESA-N 1 2 361.667 2.766 20 10 FFCDLO Cc1cc(N2CCC([NH2+]Cc3cccc(Br)c3O)CC2)n[nH]1 ZINC000783997700 738854170 /nfs/dbraw/zinc/85/41/70/738854170.db2.gz WMWNHUUPMHOCFD-UHFFFAOYSA-N 1 2 365.275 2.945 20 10 FFCDLO C[C@](CO)([NH2+]Cc1cc(Br)cc(F)c1O)c1cccc(O)c1 ZINC000895390316 734999604 /nfs/dbraw/zinc/99/96/04/734999604.db2.gz WPXLDSHWSNQDJR-MRXNPFEDSA-N 1 2 370.218 2.997 20 10 FFCDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCCSc2nccs2)[nH]n1 ZINC000896334334 735140348 /nfs/dbraw/zinc/14/03/48/735140348.db2.gz MCRLPXSTVVCJMR-CYBMUJFWSA-N 1 2 351.501 2.545 20 10 FFCDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCCSc2nccs2)[nH]n1 ZINC000896334334 735140350 /nfs/dbraw/zinc/14/03/50/735140350.db2.gz MCRLPXSTVVCJMR-CYBMUJFWSA-N 1 2 351.501 2.545 20 10 FFCDLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)s1 ZINC000896971304 735190206 /nfs/dbraw/zinc/19/02/06/735190206.db2.gz OXLLQTGXNMQCSU-JTQLQIEISA-N 1 2 354.378 2.903 20 10 FFCDLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)s1 ZINC000896971304 735190207 /nfs/dbraw/zinc/19/02/07/735190207.db2.gz OXLLQTGXNMQCSU-JTQLQIEISA-N 1 2 354.378 2.903 20 10 FFCDLO COc1nn(C)cc1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000903337354 736077291 /nfs/dbraw/zinc/07/72/91/736077291.db2.gz IQENFPJHXQTDQK-QMMMGPOBSA-N 1 2 358.211 2.887 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000757118450 736394162 /nfs/dbraw/zinc/39/41/62/736394162.db2.gz VHDHUBZIKAAVLM-UHFFFAOYSA-N 1 2 355.404 2.905 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000757118450 736394163 /nfs/dbraw/zinc/39/41/63/736394163.db2.gz VHDHUBZIKAAVLM-UHFFFAOYSA-N 1 2 355.404 2.905 20 10 FFCDLO O=C(NCCCSc1nccs1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000759601229 736580134 /nfs/dbraw/zinc/58/01/34/736580134.db2.gz MNIAODZTYXXDEB-ZDUSSCGKSA-N 1 2 351.501 2.869 20 10 FFCDLO COc1c(O)c(CNCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974943 738046945 /nfs/dbraw/zinc/04/69/45/738046945.db2.gz MMQYUASMYMNPLE-ZDUSSCGKSA-N 1 2 351.447 2.909 20 10 FFCDLO COc1c(O)c(CNCC(C)(C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974943 738046947 /nfs/dbraw/zinc/04/69/47/738046947.db2.gz MMQYUASMYMNPLE-ZDUSSCGKSA-N 1 2 351.447 2.909 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000922935826 738221126 /nfs/dbraw/zinc/22/11/26/738221126.db2.gz VUQJQGRDYMINTP-NSHDSACASA-N 1 2 350.640 2.703 20 10 FFCDLO C[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)c(F)cc1O ZINC000797031334 740204908 /nfs/dbraw/zinc/20/49/08/740204908.db2.gz JSRWFZARQGWKIX-JTQLQIEISA-N 1 2 362.239 2.876 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O)C(=O)NCCF ZINC000800499329 740528925 /nfs/dbraw/zinc/52/89/25/740528925.db2.gz WRUUZVAGFBJHQZ-JGVFFNPUSA-N 1 2 367.646 2.933 20 10 FFCDLO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000802660113 740716238 /nfs/dbraw/zinc/71/62/38/740716238.db2.gz BOIXMPDDXUTULO-ZDUSSCGKSA-N 1 2 368.886 2.892 20 10 FFCDLO CN(C)Cc1cnc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000809714044 741335889 /nfs/dbraw/zinc/33/58/89/741335889.db2.gz WEBXZTJEZMRSQB-UHFFFAOYSA-N 1 2 356.289 2.963 20 10 FFCDLO Cc1c(Cl)c(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)nn1C ZINC000817407388 742138423 /nfs/dbraw/zinc/13/84/23/742138423.db2.gz MKRJESQEEWENMW-UHFFFAOYSA-N 1 2 362.905 2.880 20 10 FFCDLO COCC[NH2+]CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817965521 742225034 /nfs/dbraw/zinc/22/50/34/742225034.db2.gz WNDJSRKXEFQQLX-VIFPVBQESA-N 1 2 351.672 2.695 20 10 FFCDLO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Br)c(F)cc1O ZINC000818351598 742266074 /nfs/dbraw/zinc/26/60/74/742266074.db2.gz VCILQDBDJDBNLR-SECBINFHSA-N 1 2 368.268 2.769 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)nn1 ZINC000827798701 744980235 /nfs/dbraw/zinc/98/02/35/744980235.db2.gz IHEBGOUEIUUZCQ-UHFFFAOYSA-N 1 2 366.824 2.696 20 10 FFCDLO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000834880797 745918314 /nfs/dbraw/zinc/91/83/14/745918314.db2.gz QUQDFOQHYCWWMJ-ISTVAULSSA-N 1 2 362.239 2.996 20 10 FFCDLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(N2CCOCC2)c(F)c1 ZINC000834882643 745918634 /nfs/dbraw/zinc/91/86/34/745918634.db2.gz MWMXZGHPENGIHY-LBPRGKRZSA-N 1 2 352.841 2.900 20 10 FFCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCn3c(nnc3C(F)(F)F)C2)cc1 ZINC000835028556 745933210 /nfs/dbraw/zinc/93/32/10/745933210.db2.gz LZERSXGXQZAGIN-ONEGZZNKSA-N 1 2 351.376 2.892 20 10 FFCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCn3c(nnc3C(F)(F)F)C2)cc1 ZINC000835028556 745933213 /nfs/dbraw/zinc/93/32/13/745933213.db2.gz LZERSXGXQZAGIN-ONEGZZNKSA-N 1 2 351.376 2.892 20 10 FFCDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)[C@]1(O)CCCOC1 ZINC000850400839 749360067 /nfs/dbraw/zinc/36/00/67/749360067.db2.gz PEDVSVGJMFBRIA-INIZCTEOSA-N 1 2 358.276 2.812 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(F)cc(F)c1O ZINC000850557557 749387780 /nfs/dbraw/zinc/38/77/80/749387780.db2.gz QXSPTCQCDYDSRR-CSMYWGQOSA-N 1 2 352.425 2.964 20 10 FFCDLO CC[C@@H](C)N1CC2(C[NH+](Cc3c(C)n(C)c4ccccc34)C2)OCC1=O ZINC001276095996 1013461108 /nfs/dbraw/zinc/46/11/08/1013461108.db2.gz NKIDPUIRGSARBW-OAHLLOKOSA-N 1 2 355.482 2.698 20 10 FFCDLO CC[C@@H](CO)Nc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000892024819 965830095 /nfs/dbraw/zinc/83/00/95/965830095.db2.gz GPWGNCTYJSTXKO-WBVHZDCISA-N 1 2 371.485 2.669 20 10 FFCDLO CC[C@@H](CO)Nc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)[nH+]cn1 ZINC000892024819 965830102 /nfs/dbraw/zinc/83/01/02/965830102.db2.gz GPWGNCTYJSTXKO-WBVHZDCISA-N 1 2 371.485 2.669 20 10 FFCDLO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCCc2cc(O)c(O)cc2C1 ZINC001176964127 1013815146 /nfs/dbraw/zinc/81/51/46/1013815146.db2.gz FEDKUUPWLNYTRV-INIZCTEOSA-N 1 2 367.449 2.684 20 10 FFCDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)cc1 ZINC000177665568 969300180 /nfs/dbraw/zinc/30/01/80/969300180.db2.gz ITPGYJBNSYQEAT-UHFFFAOYSA-N 1 2 370.449 2.763 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000796581733 1014392330 /nfs/dbraw/zinc/39/23/30/1014392330.db2.gz ZHIFUKFQVSRLRO-UZLBHIALSA-N 1 2 374.456 2.888 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c(C)n1-c1cccc(F)c1 ZINC000796581733 1014392341 /nfs/dbraw/zinc/39/23/41/1014392341.db2.gz ZHIFUKFQVSRLRO-UZLBHIALSA-N 1 2 374.456 2.888 20 10 FFCDLO COc1ccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)c1OC ZINC000893985710 977629582 /nfs/dbraw/zinc/62/95/82/977629582.db2.gz LEYBKIBBCDRWBA-QGZVFWFLSA-N 1 2 359.422 2.689 20 10 FFCDLO COc1ccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)c1OC ZINC000893985710 977629585 /nfs/dbraw/zinc/62/95/85/977629585.db2.gz LEYBKIBBCDRWBA-QGZVFWFLSA-N 1 2 359.422 2.689 20 10 FFCDLO [O-]c1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc(F)c1F ZINC000877060309 1014464478 /nfs/dbraw/zinc/46/44/78/1014464478.db2.gz IEWJTJGWWLYIGM-SJLPKXTDSA-N 1 2 362.420 2.643 20 10 FFCDLO [O-]c1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc(F)c1F ZINC000877060309 1014464486 /nfs/dbraw/zinc/46/44/86/1014464486.db2.gz IEWJTJGWWLYIGM-SJLPKXTDSA-N 1 2 362.420 2.643 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2O)CCCO1 ZINC000877578486 1014632378 /nfs/dbraw/zinc/63/23/78/1014632378.db2.gz GCRXLOWTHMOLOQ-ZDUSSCGKSA-N 1 2 372.412 2.786 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)CCCO1 ZINC000877578486 1014632382 /nfs/dbraw/zinc/63/23/82/1014632382.db2.gz GCRXLOWTHMOLOQ-ZDUSSCGKSA-N 1 2 372.412 2.786 20 10 FFCDLO O=[N+]([O-])c1cc(C[NH2+]Cc2noc3c2COCC3)ccc1N1CCCCC1 ZINC000923015903 990794661 /nfs/dbraw/zinc/79/46/61/990794661.db2.gz ZRCGYQVBFLBJAA-UHFFFAOYSA-N 1 2 372.425 2.936 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000844401491 997863213 /nfs/dbraw/zinc/86/32/13/997863213.db2.gz ODZJCKBLXFLLHW-UHFFFAOYSA-N 1 2 369.465 2.905 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000844401491 997863228 /nfs/dbraw/zinc/86/32/28/997863228.db2.gz ODZJCKBLXFLLHW-UHFFFAOYSA-N 1 2 369.465 2.905 20 10 FFCDLO OC[C@]1(F)CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299112 998285424 /nfs/dbraw/zinc/28/54/24/998285424.db2.gz POZQCNHSYPEDQW-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO OC[C@]1(F)CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299112 998285435 /nfs/dbraw/zinc/28/54/35/998285435.db2.gz POZQCNHSYPEDQW-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001144307808 998305186 /nfs/dbraw/zinc/30/51/86/998305186.db2.gz IHLWYABSPAEFSK-LLVKDONJSA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001144307808 998305201 /nfs/dbraw/zinc/30/52/01/998305201.db2.gz IHLWYABSPAEFSK-LLVKDONJSA-N 1 2 355.211 2.722 20 10 FFCDLO O=C1CCC2(CC[NH+](Cc3cc(Br)c(F)cc3O)CC2)N1 ZINC001144308220 998305251 /nfs/dbraw/zinc/30/52/51/998305251.db2.gz SVAXSPWNXUFWTR-UHFFFAOYSA-N 1 2 357.223 2.538 20 10 FFCDLO CN1C(=O)CCC12CC[NH+](Cc1cc(Br)c(F)cc1O)CC2 ZINC001144307937 998305742 /nfs/dbraw/zinc/30/57/42/998305742.db2.gz MCQACMZYDHKYPR-UHFFFAOYSA-N 1 2 371.250 2.881 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C)c(C)s3)CC2)cc1 ZINC000742921676 999793779 /nfs/dbraw/zinc/79/37/79/999793779.db2.gz XJVYNKDHCDPEDU-UHFFFAOYSA-N 1 2 373.522 2.926 20 10 FFCDLO Cc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 ZINC000768157786 1000186620 /nfs/dbraw/zinc/18/66/20/1000186620.db2.gz UJLWFCONKOPQAY-UHFFFAOYSA-N 1 2 374.506 2.824 20 10 FFCDLO CN(C)c1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1F ZINC000105206095 1005008116 /nfs/dbraw/zinc/00/81/16/1005008116.db2.gz DGPMFEKSTYYJNU-UHFFFAOYSA-N 1 2 359.449 2.978 20 10 FFCDLO CCOC(=O)c1c(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c2ccccc2n1C ZINC001206244895 1032197579 /nfs/dbraw/zinc/19/75/79/1032197579.db2.gz OHDPLYJXYLOASW-KRWDZBQOSA-N 1 2 369.387 2.821 20 10 FFCDLO CCOC(=O)c1c(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c2ccccc2n1C ZINC001206244895 1032197586 /nfs/dbraw/zinc/19/75/86/1032197586.db2.gz OHDPLYJXYLOASW-KRWDZBQOSA-N 1 2 369.387 2.821 20 10 FFCDLO Fc1cc(C[NH2+]Cc2cnn(-c3ccccc3)n2)ccc1N1CCOCC1 ZINC000157148503 1007430244 /nfs/dbraw/zinc/43/02/44/1007430244.db2.gz ZWFYBXBLNQGUEA-UHFFFAOYSA-N 1 2 367.428 2.533 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)c2C)cc1 ZINC000857891457 1008236519 /nfs/dbraw/zinc/23/65/19/1008236519.db2.gz VLKUGEMQDIEQFZ-OAHLLOKOSA-N 1 2 350.422 2.654 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000858512694 1008372576 /nfs/dbraw/zinc/37/25/76/1008372576.db2.gz DQERGNLEWLCULG-AWEZNQCLSA-N 1 2 350.422 2.922 20 10 FFCDLO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(N(C)C)cc1 ZINC000773630753 1008538899 /nfs/dbraw/zinc/53/88/99/1008538899.db2.gz VRSMNEWIFMCTLJ-INIZCTEOSA-N 1 2 353.470 2.740 20 10 FFCDLO CCOC(=O)CN(Cc1c[nH+]c2c(C)cccn12)Cc1ccccc1O ZINC000822511934 1008663856 /nfs/dbraw/zinc/66/38/56/1008663856.db2.gz OUOWPCJJFHMIKC-UHFFFAOYSA-N 1 2 353.422 2.914 20 10 FFCDLO C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000118993097 1009893428 /nfs/dbraw/zinc/89/34/28/1009893428.db2.gz NCVRTNMIGMBOGV-QGZVFWFLSA-N 1 2 371.485 2.512 20 10 FFCDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122004595 1011171283 /nfs/dbraw/zinc/17/12/83/1011171283.db2.gz ADZTXQCQORGAJD-MRXNPFEDSA-N 1 2 363.477 2.747 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)Cc3ccccc3)CC2)cc1F ZINC000122101935 1011238447 /nfs/dbraw/zinc/23/84/47/1011238447.db2.gz UOUCDUGBSFJMIQ-UHFFFAOYSA-N 1 2 371.456 2.615 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn(C)n1 ZINC000924706612 1017434823 /nfs/dbraw/zinc/43/48/23/1017434823.db2.gz QNJOXUJWORENEU-GFCCVEGCSA-N 1 2 369.391 2.521 20 10 FFCDLO CC[N@H+](CCOCCO)CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000800430274 1020310090 /nfs/dbraw/zinc/31/00/90/1020310090.db2.gz BRNMPBXXQHERSR-UHFFFAOYSA-N 1 2 358.482 2.916 20 10 FFCDLO CC[N@@H+](CCOCCO)CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000800430274 1020310100 /nfs/dbraw/zinc/31/01/00/1020310100.db2.gz BRNMPBXXQHERSR-UHFFFAOYSA-N 1 2 358.482 2.916 20 10 FFCDLO CN(C)c1ccc(CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C2CC2)cc1 ZINC000726261792 1020446644 /nfs/dbraw/zinc/44/66/44/1020446644.db2.gz VKJDLRKADQULHB-UHFFFAOYSA-N 1 2 374.529 2.537 20 10 FFCDLO CN(C)c1ccc(CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C2CC2)cc1 ZINC000726261792 1020446653 /nfs/dbraw/zinc/44/66/53/1020446653.db2.gz VKJDLRKADQULHB-UHFFFAOYSA-N 1 2 374.529 2.537 20 10 FFCDLO O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O[C@H]3CCC[NH2+]C3)c12 ZINC001218281201 1033083526 /nfs/dbraw/zinc/08/35/26/1033083526.db2.gz ABGAMBRVPOQBIC-ZDUSSCGKSA-N 1 2 369.373 2.708 20 10 FFCDLO Cn1cc[nH+]c1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000779526203 1023955164 /nfs/dbraw/zinc/95/51/64/1023955164.db2.gz QIFXNSZTNKJRAH-VMSUTVGLSA-N 1 2 363.417 2.945 20 10 FFCDLO CCOC(=O)c1ncn2c1C[N@H+](Cc1ccc(N(C)C)c(C)c1)CCC2 ZINC001139669769 1024353394 /nfs/dbraw/zinc/35/33/94/1024353394.db2.gz MNARHJKIZRNWNB-UHFFFAOYSA-N 1 2 356.470 2.840 20 10 FFCDLO CCOC(=O)c1ncn2c1C[N@@H+](Cc1ccc(N(C)C)c(C)c1)CCC2 ZINC001139669769 1024353409 /nfs/dbraw/zinc/35/34/09/1024353409.db2.gz MNARHJKIZRNWNB-UHFFFAOYSA-N 1 2 356.470 2.840 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3)CC2)cc1F ZINC000084866986 1025152577 /nfs/dbraw/zinc/15/25/77/1025152577.db2.gz TWHOCZYYKVPYRC-HNNXBMFYSA-N 1 2 357.429 2.984 20 10 FFCDLO C[NH+](C)C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1 ZINC001141367591 1026043836 /nfs/dbraw/zinc/04/38/36/1026043836.db2.gz HEWCWNKDBKSLPW-LBPRGKRZSA-N 1 2 363.683 2.571 20 10 FFCDLO COc1cccc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)c1O ZINC000092590004 1027373982 /nfs/dbraw/zinc/37/39/82/1027373982.db2.gz QXASHFZQSZUHQC-UHFFFAOYSA-N 1 2 362.376 2.637 20 10 FFCDLO CCOc1ccc(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c(O)c1 ZINC000780591551 1028742150 /nfs/dbraw/zinc/74/21/50/1028742150.db2.gz VZOOZSKYRPHNOR-UHFFFAOYSA-N 1 2 356.401 2.860 20 10 FFCDLO CC(=O)NCC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000781528999 1029257753 /nfs/dbraw/zinc/25/77/53/1029257753.db2.gz IPMCJSCJCNEHIX-HNNXBMFYSA-N 1 2 364.486 2.677 20 10 FFCDLO CC(=O)NCC[N@@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000781528999 1029257767 /nfs/dbraw/zinc/25/77/67/1029257767.db2.gz IPMCJSCJCNEHIX-HNNXBMFYSA-N 1 2 364.486 2.677 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2nnn(CC3CC3)c21 ZINC001203590036 1030772713 /nfs/dbraw/zinc/77/27/13/1030772713.db2.gz RMJYBYUIMYFBNI-INIZCTEOSA-N 1 2 372.469 2.538 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2nnn(CC3CC3)c21 ZINC001203590036 1030772724 /nfs/dbraw/zinc/77/27/24/1030772724.db2.gz RMJYBYUIMYFBNI-INIZCTEOSA-N 1 2 372.469 2.538 20 10 FFCDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1ccc(N(CC)CC)cc1 ZINC001203938974 1030997636 /nfs/dbraw/zinc/99/76/36/1030997636.db2.gz HNTAODKTASFXNO-UHFFFAOYSA-N 1 2 364.486 2.851 20 10 FFCDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1ccc(N(CC)CC)cc1 ZINC001203938974 1030997653 /nfs/dbraw/zinc/99/76/53/1030997653.db2.gz HNTAODKTASFXNO-UHFFFAOYSA-N 1 2 364.486 2.851 20 10 FFCDLO COc1cc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)cc(O)c1O ZINC001204342772 1031238267 /nfs/dbraw/zinc/23/82/67/1031238267.db2.gz MYRUCSDAZQJKAH-OAHLLOKOSA-N 1 2 364.442 2.596 20 10 FFCDLO COc1cc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)cc(O)c1O ZINC001204342772 1031238273 /nfs/dbraw/zinc/23/82/73/1031238273.db2.gz MYRUCSDAZQJKAH-OAHLLOKOSA-N 1 2 364.442 2.596 20 10 FFCDLO COc1cc(C[N@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204344684 1031240473 /nfs/dbraw/zinc/24/04/73/1031240473.db2.gz BGHXDWPEAFQWFH-UHFFFAOYSA-N 1 2 364.442 2.690 20 10 FFCDLO COc1cc(C[N@@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204344684 1031240485 /nfs/dbraw/zinc/24/04/85/1031240485.db2.gz BGHXDWPEAFQWFH-UHFFFAOYSA-N 1 2 364.442 2.690 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001138126620 1033810119 /nfs/dbraw/zinc/81/01/19/1033810119.db2.gz FTENNIXSPYHYPF-XYJFISCASA-N 1 2 362.376 2.876 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001138126620 1033810131 /nfs/dbraw/zinc/81/01/31/1033810131.db2.gz FTENNIXSPYHYPF-XYJFISCASA-N 1 2 362.376 2.876 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001139130587 1034961193 /nfs/dbraw/zinc/96/11/93/1034961193.db2.gz GLRLGOUIMFUMQZ-UHFFFAOYSA-N 1 2 352.390 2.508 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001139130587 1034961200 /nfs/dbraw/zinc/96/12/00/1034961200.db2.gz GLRLGOUIMFUMQZ-UHFFFAOYSA-N 1 2 352.390 2.508 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC001139133817 1034962719 /nfs/dbraw/zinc/96/27/19/1034962719.db2.gz RRKZZRYZMVBWEE-UHFFFAOYSA-N 1 2 372.465 2.934 20 10 FFCDLO c1cncc(COc2ccc(N3CC[NH+](Cc4cccnn4)CC3)cc2)c1 ZINC001139977168 1035295472 /nfs/dbraw/zinc/29/54/72/1035295472.db2.gz NITXCIHFVBDBQH-UHFFFAOYSA-N 1 2 361.449 2.773 20 10 FFCDLO COCc1cccc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)n1 ZINC001232260675 1035531765 /nfs/dbraw/zinc/53/17/65/1035531765.db2.gz QHCAYAJXIFNSTF-UHFFFAOYSA-N 1 2 357.454 2.567 20 10 FFCDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001277214970 1035586924 /nfs/dbraw/zinc/58/69/24/1035586924.db2.gz UVQBQJOZKLQBFE-ZDUSSCGKSA-N 1 2 352.862 2.566 20 10 FFCDLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(O)cc(F)cc3F)O2)n1 ZINC001140581516 1035660506 /nfs/dbraw/zinc/66/05/06/1035660506.db2.gz YAUAGUFXHYLAMT-BMFZPTHFSA-N 1 2 351.353 2.856 20 10 FFCDLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c(O)cc(F)cc3F)O2)n1 ZINC001140581516 1035660511 /nfs/dbraw/zinc/66/05/11/1035660511.db2.gz YAUAGUFXHYLAMT-BMFZPTHFSA-N 1 2 351.353 2.856 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3c(OC)cncc3OC)CC2)c(C)c1 ZINC001232506798 1035757926 /nfs/dbraw/zinc/75/79/26/1035757926.db2.gz MEGICEIMPQJUCG-UHFFFAOYSA-N 1 2 357.454 2.738 20 10 FFCDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014715 1036250543 /nfs/dbraw/zinc/25/05/43/1036250543.db2.gz BVAINFHLFWVYDN-AAEUAGOBSA-N 1 2 352.431 2.681 20 10 FFCDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014715 1036250559 /nfs/dbraw/zinc/25/05/59/1036250559.db2.gz BVAINFHLFWVYDN-AAEUAGOBSA-N 1 2 352.431 2.681 20 10 FFCDLO O=C1Nc2ccccc2CN1[C@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016159 1036253476 /nfs/dbraw/zinc/25/34/76/1036253476.db2.gz OLQBQPDMSYWQRQ-HNNXBMFYSA-N 1 2 369.421 2.816 20 10 FFCDLO O=C1Nc2ccccc2CN1[C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016159 1036253489 /nfs/dbraw/zinc/25/34/89/1036253489.db2.gz OLQBQPDMSYWQRQ-HNNXBMFYSA-N 1 2 369.421 2.816 20 10 FFCDLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140924492 1036462336 /nfs/dbraw/zinc/46/23/36/1036462336.db2.gz PHRSPDOIRGWZGY-OAHLLOKOSA-N 1 2 352.862 2.750 20 10 FFCDLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140924492 1036462338 /nfs/dbraw/zinc/46/23/38/1036462338.db2.gz PHRSPDOIRGWZGY-OAHLLOKOSA-N 1 2 352.862 2.750 20 10 FFCDLO c1ncc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)o1 ZINC001140934989 1036479918 /nfs/dbraw/zinc/47/99/18/1036479918.db2.gz HIJXKFCNUQRQDN-UHFFFAOYSA-N 1 2 350.422 2.971 20 10 FFCDLO COC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cn(C)nc21 ZINC001233416306 1036611580 /nfs/dbraw/zinc/61/15/80/1036611580.db2.gz CUVZGJCDYDWDFA-CYBMUJFWSA-N 1 2 355.360 2.890 20 10 FFCDLO COC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cn(C)nc21 ZINC001233416306 1036611588 /nfs/dbraw/zinc/61/15/88/1036611588.db2.gz CUVZGJCDYDWDFA-CYBMUJFWSA-N 1 2 355.360 2.890 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001233486918 1036656030 /nfs/dbraw/zinc/65/60/30/1036656030.db2.gz IALKOOBDLMQCNH-CQSZACIVSA-N 1 2 374.384 2.538 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001233486918 1036656037 /nfs/dbraw/zinc/65/60/37/1036656037.db2.gz IALKOOBDLMQCNH-CQSZACIVSA-N 1 2 374.384 2.538 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c(OC)c1 ZINC001141029590 1036769617 /nfs/dbraw/zinc/76/96/17/1036769617.db2.gz WWQDQTKHOIQJAV-KRWDZBQOSA-N 1 2 359.422 2.689 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c(OC)c1 ZINC001141029590 1036769638 /nfs/dbraw/zinc/76/96/38/1036769638.db2.gz WWQDQTKHOIQJAV-KRWDZBQOSA-N 1 2 359.422 2.689 20 10 FFCDLO Cc1c(O)cc2c(c1O[C@H]1C[NH+]3CCC1CC3)C(=O)c1ccccc1C2=O ZINC001229829354 1036922449 /nfs/dbraw/zinc/92/24/49/1036922449.db2.gz RFHSERJMNZKKLC-SFHVURJKSA-N 1 2 363.413 2.949 20 10 FFCDLO O=C1OCCC12CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001235067191 1037339707 /nfs/dbraw/zinc/33/97/07/1037339707.db2.gz RZGSMZDLYRVUBZ-UHFFFAOYSA-N 1 2 358.207 2.823 20 10 FFCDLO CN1CC2(CC1=O)CC[NH+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001235305005 1037463369 /nfs/dbraw/zinc/46/33/69/1037463369.db2.gz IKQBTCYAYXAZNL-UHFFFAOYSA-N 1 2 371.250 2.738 20 10 FFCDLO C[N@H+](Cc1cccc(I)c1[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001236205510 1037983787 /nfs/dbraw/zinc/98/37/87/1037983787.db2.gz FWDJOLPBCHFQDV-AWEZNQCLSA-N 1 2 360.239 2.571 20 10 FFCDLO C[N@@H+](Cc1cccc(I)c1[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001236205510 1037983798 /nfs/dbraw/zinc/98/37/98/1037983798.db2.gz FWDJOLPBCHFQDV-AWEZNQCLSA-N 1 2 360.239 2.571 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3n[nH]c4cc(N)ccc43)CC2)c(C)c1 ZINC001236366959 1038062132 /nfs/dbraw/zinc/06/21/32/1038062132.db2.gz KDLGHCQRLPMGMP-UHFFFAOYSA-N 1 2 351.454 2.784 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001236669558 1038183127 /nfs/dbraw/zinc/18/31/27/1038183127.db2.gz OUHMPNIUGUFDCG-OAHLLOKOSA-N 1 2 355.232 2.538 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001236669558 1038183132 /nfs/dbraw/zinc/18/31/32/1038183132.db2.gz OUHMPNIUGUFDCG-OAHLLOKOSA-N 1 2 355.232 2.538 20 10 FFCDLO CCOc1ccc(N2CCC[C@@]23CCN(Cc2c[nH+]cn2C)C3=O)cc1 ZINC001278000989 1038217087 /nfs/dbraw/zinc/21/70/87/1038217087.db2.gz URLQWZMGTPMDKN-FQEVSTJZSA-N 1 2 354.454 2.590 20 10 FFCDLO Oc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(O)cc1Br ZINC001236767631 1038251513 /nfs/dbraw/zinc/25/15/13/1038251513.db2.gz KWHKQNMSOKCSEV-UHFFFAOYSA-N 1 2 370.165 2.750 20 10 FFCDLO COc1ccc(C[NH+]2CC3(CN(c4ccccc4)C3=O)C2)c(O)c1Cl ZINC001236808463 1038281543 /nfs/dbraw/zinc/28/15/43/1038281543.db2.gz BETKQWOZJOYUST-UHFFFAOYSA-N 1 2 358.825 2.903 20 10 FFCDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c(O)c1Cl ZINC001236810675 1038286295 /nfs/dbraw/zinc/28/62/95/1038286295.db2.gz XMQITBNQVLRIEZ-CQSZACIVSA-N 1 2 352.862 2.935 20 10 FFCDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c(O)c1Cl ZINC001236810675 1038286311 /nfs/dbraw/zinc/28/63/11/1038286311.db2.gz XMQITBNQVLRIEZ-CQSZACIVSA-N 1 2 352.862 2.935 20 10 FFCDLO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236819609 1038290508 /nfs/dbraw/zinc/29/05/08/1038290508.db2.gz XKXQLVVKAQECBX-CQSZACIVSA-N 1 2 370.877 2.514 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN[C@H](C(F)(F)F)C2)c1 ZINC001236997775 1038403031 /nfs/dbraw/zinc/40/30/31/1038403031.db2.gz VNTMDRCBXARGPH-NSHDSACASA-N 1 2 353.182 2.799 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN[C@H](C(F)(F)F)C2)c1 ZINC001236997775 1038403038 /nfs/dbraw/zinc/40/30/38/1038403038.db2.gz VNTMDRCBXARGPH-NSHDSACASA-N 1 2 353.182 2.799 20 10 FFCDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237078580 1038438420 /nfs/dbraw/zinc/43/84/20/1038438420.db2.gz UWTVWZXBJSQNOU-MADCSZMMSA-N 1 2 360.159 2.559 20 10 FFCDLO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237078580 1038438421 /nfs/dbraw/zinc/43/84/21/1038438421.db2.gz UWTVWZXBJSQNOU-MADCSZMMSA-N 1 2 360.159 2.559 20 10 FFCDLO Oc1ccc(F)c(Cl)c1CN1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001237124807 1038451133 /nfs/dbraw/zinc/45/11/33/1038451133.db2.gz SLSBOQQWZZNYLV-UHFFFAOYSA-N 1 2 362.792 2.976 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]([NH3+])CC[S@](C)=O)n2)cc1 ZINC001249250396 1040652540 /nfs/dbraw/zinc/65/25/40/1040652540.db2.gz VQONRPOKPJSTDU-LMKMVOKYSA-N 1 2 358.467 2.913 20 10 FFCDLO COC1(CC(=O)N2CCC23C[NH+](Cc2ccc(Cl)cc2O)C3)CCC1 ZINC001278554155 1041130366 /nfs/dbraw/zinc/13/03/66/1041130366.db2.gz NVKUKPKPTLVYRQ-UHFFFAOYSA-N 1 2 364.873 2.792 20 10 FFCDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001276744026 1042069676 /nfs/dbraw/zinc/06/96/76/1042069676.db2.gz KQOSJGYTGUGJDR-LBPRGKRZSA-N 1 2 372.387 2.623 20 10 FFCDLO Oc1c(F)cc(Cl)cc1CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001237618722 1043275486 /nfs/dbraw/zinc/27/54/86/1043275486.db2.gz LDSOMZFBBGIMLO-UHFFFAOYSA-N 1 2 364.852 2.993 20 10 FFCDLO COc1cc(C[NH+]2CC(C)(NC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237677985 1043305692 /nfs/dbraw/zinc/30/56/92/1043305692.db2.gz IONHBLYWFLYIBN-UHFFFAOYSA-N 1 2 352.431 2.508 20 10 FFCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001279684285 1043463812 /nfs/dbraw/zinc/46/38/12/1043463812.db2.gz PGMPRCDUQWPRCH-WBVHZDCISA-N 1 2 365.836 2.598 20 10 FFCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001279684285 1043463815 /nfs/dbraw/zinc/46/38/15/1043463815.db2.gz PGMPRCDUQWPRCH-WBVHZDCISA-N 1 2 365.836 2.598 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(CC3CC3)c21 ZINC001238065705 1043512885 /nfs/dbraw/zinc/51/28/85/1043512885.db2.gz ZAHYBUVCTVKIMI-MRXNPFEDSA-N 1 2 374.460 2.977 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(CC3CC3)c21 ZINC001238065705 1043512895 /nfs/dbraw/zinc/51/28/95/1043512895.db2.gz ZAHYBUVCTVKIMI-MRXNPFEDSA-N 1 2 374.460 2.977 20 10 FFCDLO CN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cccc1F)C1CC(F)(F)C1 ZINC001280009581 1044083604 /nfs/dbraw/zinc/08/36/04/1044083604.db2.gz VATIBCIQFQGGST-ZMZPIMSZSA-N 1 2 354.372 2.752 20 10 FFCDLO CN(C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)cccc1F)C1CC(F)(F)C1 ZINC001280009581 1044083616 /nfs/dbraw/zinc/08/36/16/1044083616.db2.gz VATIBCIQFQGGST-ZMZPIMSZSA-N 1 2 354.372 2.752 20 10 FFCDLO CN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F)C1CC(F)(F)C1 ZINC001280009574 1044084980 /nfs/dbraw/zinc/08/49/80/1044084980.db2.gz VATIBCIQFQGGST-BBATYDOGSA-N 1 2 354.372 2.752 20 10 FFCDLO CN(C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cccc1F)C1CC(F)(F)C1 ZINC001280009574 1044084997 /nfs/dbraw/zinc/08/49/97/1044084997.db2.gz VATIBCIQFQGGST-BBATYDOGSA-N 1 2 354.372 2.752 20 10 FFCDLO CCN(C(=O)c1noc2c1C[N@H+](Cc1cc(O)ccc1O)CC2)C(C)C ZINC001280082912 1044184872 /nfs/dbraw/zinc/18/48/72/1044184872.db2.gz KMJNRQMBHJPNJK-UHFFFAOYSA-N 1 2 359.426 2.515 20 10 FFCDLO CCN(C(=O)c1noc2c1C[N@@H+](Cc1cc(O)ccc1O)CC2)C(C)C ZINC001280082912 1044184877 /nfs/dbraw/zinc/18/48/77/1044184877.db2.gz KMJNRQMBHJPNJK-UHFFFAOYSA-N 1 2 359.426 2.515 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001542430091 1071232645 /nfs/dbraw/zinc/23/26/45/1071232645.db2.gz FRQYURXENXHOEI-FQEVSTJZSA-N 1 2 371.456 2.791 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001542430091 1071232655 /nfs/dbraw/zinc/23/26/55/1071232655.db2.gz FRQYURXENXHOEI-FQEVSTJZSA-N 1 2 371.456 2.791 20 10 FFCDLO COc1cccc([C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[NH2+]2)c1 ZINC001454474489 1059545687 /nfs/dbraw/zinc/54/56/87/1059545687.db2.gz NRFMGZDSWSMHOP-QGZVFWFLSA-N 1 2 367.409 2.644 20 10 FFCDLO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)o1 ZINC001462203365 1061536549 /nfs/dbraw/zinc/53/65/49/1061536549.db2.gz WVZZXISLMRSHNI-UHFFFAOYSA-N 1 2 358.163 2.963 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2O)C[C@H]1C(F)(F)F ZINC001462553865 1061670449 /nfs/dbraw/zinc/67/04/49/1061670449.db2.gz FIMUQEXZLODMSB-NXEZZACHSA-N 1 2 353.287 2.844 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)C[C@H]1C(F)(F)F ZINC001462553865 1061670459 /nfs/dbraw/zinc/67/04/59/1061670459.db2.gz FIMUQEXZLODMSB-NXEZZACHSA-N 1 2 353.287 2.844 20 10 FFCDLO OC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001474116196 1065458281 /nfs/dbraw/zinc/45/82/81/1065458281.db2.gz LMAMIGJCHFPPPT-AWEZNQCLSA-N 1 2 354.219 2.987 20 10 FFCDLO CCc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(N)cc3)CC2)s1 ZINC001578259802 1078457273 /nfs/dbraw/zinc/45/72/73/1078457273.db2.gz JWSIFGXLZQYHAM-UHFFFAOYSA-N 1 2 358.511 2.920 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)c(Cl)c1 ZINC001581040181 1078908846 /nfs/dbraw/zinc/90/88/46/1078908846.db2.gz DFMIGMFZLMIWIN-UHFFFAOYSA-N 1 2 371.828 2.797 20 10 FFCDLO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC001560481580 1076275807 /nfs/dbraw/zinc/27/58/07/1076275807.db2.gz NQKVBSHJRQLGDZ-SNVBAGLBSA-N 1 2 361.255 2.936 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)Cn3cc[nH+]c3)ccc21 ZINC000264058578 509308697 /nfs/dbraw/zinc/30/86/97/509308697.db2.gz CFJFYAILPXDTIG-AWEZNQCLSA-N 1 2 354.454 2.920 20 10 FFCDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000193021161 509739905 /nfs/dbraw/zinc/73/99/05/509739905.db2.gz XUXVSCQEWJQNLF-AWEZNQCLSA-N 1 2 356.422 2.625 20 10 FFCDLO COc1cc(O)c(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1OC ZINC000180248853 509833531 /nfs/dbraw/zinc/83/35/31/509833531.db2.gz JZIMFIIWRCZVKP-HNNXBMFYSA-N 1 2 357.454 2.683 20 10 FFCDLO OCC1([NH2+]Cc2cc(Br)cc(Br)c2O)CCC1 ZINC000180935304 510190720 /nfs/dbraw/zinc/19/07/20/510190720.db2.gz OAFRCBFBBDICGK-UHFFFAOYSA-N 1 2 365.065 2.922 20 10 FFCDLO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(F)c(F)c3O)C2=O)n(C)n1 ZINC000187863608 510475575 /nfs/dbraw/zinc/47/55/75/510475575.db2.gz SESRUTHAUXTJHL-SMDDNHRTSA-N 1 2 364.396 2.559 20 10 FFCDLO CN(C)c1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c[nH+]1 ZINC000266561772 510660151 /nfs/dbraw/zinc/66/01/51/510660151.db2.gz VNMLRJKNHDEQEY-UHFFFAOYSA-N 1 2 354.454 2.731 20 10 FFCDLO O=C1/C(=C/c2cc(Cl)cs2)SC(=S)N1CC[NH+]1CCOCC1 ZINC000195220289 510722411 /nfs/dbraw/zinc/72/24/11/510722411.db2.gz XNFCOJNPUXYEFA-WQLSENKSSA-N 1 2 374.940 2.935 20 10 FFCDLO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(F)c(F)c1O ZINC000276988426 510951294 /nfs/dbraw/zinc/95/12/94/510951294.db2.gz XCLCXJNRXQXSFB-LBPRGKRZSA-N 1 2 355.406 2.936 20 10 FFCDLO NC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000270693135 510952756 /nfs/dbraw/zinc/95/27/56/510952756.db2.gz WQAFAFVHIJPRTG-LRDZBDLTSA-N 1 2 366.425 2.783 20 10 FFCDLO NC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000270693135 510952758 /nfs/dbraw/zinc/95/27/58/510952758.db2.gz WQAFAFVHIJPRTG-LRDZBDLTSA-N 1 2 366.425 2.783 20 10 FFCDLO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cccc(Cl)c2O)cc1O ZINC000289433734 511100552 /nfs/dbraw/zinc/10/05/52/511100552.db2.gz LEJIWNCDADQYCS-CYBMUJFWSA-N 1 2 351.830 2.701 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000290269719 511132374 /nfs/dbraw/zinc/13/23/74/511132374.db2.gz XTXPNINUGZWSDB-UHFFFAOYSA-N 1 2 358.350 2.682 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCC3(C2)Oc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000290269719 511132378 /nfs/dbraw/zinc/13/23/78/511132378.db2.gz XTXPNINUGZWSDB-UHFFFAOYSA-N 1 2 358.350 2.682 20 10 FFCDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(F)c1O ZINC000272252195 511480265 /nfs/dbraw/zinc/48/02/65/511480265.db2.gz IMGDMNBDZYSWRK-UHFFFAOYSA-N 1 2 359.401 2.950 20 10 FFCDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(F)c1O ZINC000272252195 511480266 /nfs/dbraw/zinc/48/02/66/511480266.db2.gz IMGDMNBDZYSWRK-UHFFFAOYSA-N 1 2 359.401 2.950 20 10 FFCDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272510406 511497072 /nfs/dbraw/zinc/49/70/72/511497072.db2.gz UOAZEVARPHIMKE-HWKANZROSA-N 1 2 355.316 2.528 20 10 FFCDLO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000376042016 512631408 /nfs/dbraw/zinc/63/14/08/512631408.db2.gz BOQXWQCHELUGCB-UHFFFAOYSA-N 1 2 364.833 2.720 20 10 FFCDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(Br)c3O)[C@@H]2C1 ZINC000092096451 728464709 /nfs/dbraw/zinc/46/47/09/728464709.db2.gz QSKRKSZIUWGZIG-YUELXQCFSA-N 1 2 356.260 2.923 20 10 FFCDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc(Br)c3O)[C@@H]2C1 ZINC000092096451 728464714 /nfs/dbraw/zinc/46/47/14/728464714.db2.gz QSKRKSZIUWGZIG-YUELXQCFSA-N 1 2 356.260 2.923 20 10 FFCDLO CC(C)OCC[NH+]1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093586649 728476640 /nfs/dbraw/zinc/47/66/40/728476640.db2.gz AOAFAQDFAMIRHS-UHFFFAOYSA-N 1 2 357.292 2.697 20 10 FFCDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000179552579 729188958 /nfs/dbraw/zinc/18/89/58/729188958.db2.gz IQVDZKOMKOEXQF-UHFFFAOYSA-N 1 2 360.479 2.516 20 10 FFCDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(Br)c3O)[C@H]2C1 ZINC000246799915 729590602 /nfs/dbraw/zinc/59/06/02/729590602.db2.gz QSKRKSZIUWGZIG-VHDGCEQUSA-N 1 2 356.260 2.923 20 10 FFCDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc(Br)c3O)[C@H]2C1 ZINC000246799915 729590605 /nfs/dbraw/zinc/59/06/05/729590605.db2.gz QSKRKSZIUWGZIG-VHDGCEQUSA-N 1 2 356.260 2.923 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1O ZINC000382456390 729834560 /nfs/dbraw/zinc/83/45/60/729834560.db2.gz COTZMJQYBUOGLQ-MRXNPFEDSA-N 1 2 352.862 2.545 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c1O ZINC000382456390 729834563 /nfs/dbraw/zinc/83/45/63/729834563.db2.gz COTZMJQYBUOGLQ-MRXNPFEDSA-N 1 2 352.862 2.545 20 10 FFCDLO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000857058506 730376835 /nfs/dbraw/zinc/37/68/35/730376835.db2.gz OMNSUUAULZSRQJ-CQSZACIVSA-N 1 2 355.818 2.944 20 10 FFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1c(O)cccc1Br ZINC000862338222 730689718 /nfs/dbraw/zinc/68/97/18/730689718.db2.gz MYUCPDFFDVPHND-ZETOZRRWSA-N 1 2 354.244 2.928 20 10 FFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1c(O)cccc1Br ZINC000862338222 730689719 /nfs/dbraw/zinc/68/97/19/730689719.db2.gz MYUCPDFFDVPHND-ZETOZRRWSA-N 1 2 354.244 2.928 20 10 FFCDLO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000877798922 732434168 /nfs/dbraw/zinc/43/41/68/732434168.db2.gz GDZXAOMESKDNMR-OAGGEKHMSA-N 1 2 366.889 2.677 20 10 FFCDLO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000877798922 732434170 /nfs/dbraw/zinc/43/41/70/732434170.db2.gz GDZXAOMESKDNMR-OAGGEKHMSA-N 1 2 366.889 2.677 20 10 FFCDLO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000877798923 732434640 /nfs/dbraw/zinc/43/46/40/732434640.db2.gz GDZXAOMESKDNMR-OWCLPIDISA-N 1 2 366.889 2.677 20 10 FFCDLO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000877798923 732434642 /nfs/dbraw/zinc/43/46/42/732434642.db2.gz GDZXAOMESKDNMR-OWCLPIDISA-N 1 2 366.889 2.677 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)c1O ZINC000878874073 732607339 /nfs/dbraw/zinc/60/73/39/732607339.db2.gz FKVXHADZLFKLNE-INIZCTEOSA-N 1 2 365.861 2.831 20 10 FFCDLO CO[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCSC1 ZINC000719258657 734377460 /nfs/dbraw/zinc/37/74/60/734377460.db2.gz HKNPQKRQPXLMEE-ZDUSSCGKSA-N 1 2 350.253 2.906 20 10 FFCDLO NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893981860 734781470 /nfs/dbraw/zinc/78/14/70/734781470.db2.gz XEHPZNBHZWPAQU-SNVBAGLBSA-N 1 2 359.239 2.771 20 10 FFCDLO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000893981860 734781476 /nfs/dbraw/zinc/78/14/76/734781476.db2.gz XEHPZNBHZWPAQU-SNVBAGLBSA-N 1 2 359.239 2.771 20 10 FFCDLO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894077113 734797459 /nfs/dbraw/zinc/79/74/59/734797459.db2.gz WXUAKBNXLOKYLX-VIFPVBQESA-N 1 2 361.667 2.896 20 10 FFCDLO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894077113 734797463 /nfs/dbraw/zinc/79/74/63/734797463.db2.gz WXUAKBNXLOKYLX-VIFPVBQESA-N 1 2 361.667 2.896 20 10 FFCDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000894747204 734909197 /nfs/dbraw/zinc/90/91/97/734909197.db2.gz IRWFWFNGGILBRF-RISCZKNCSA-N 1 2 373.266 2.589 20 10 FFCDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000894747204 734909201 /nfs/dbraw/zinc/90/92/01/734909201.db2.gz IRWFWFNGGILBRF-RISCZKNCSA-N 1 2 373.266 2.589 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000897692030 735265237 /nfs/dbraw/zinc/26/52/37/735265237.db2.gz MTJDCHTUYHGJHT-QGZVFWFLSA-N 1 2 356.850 2.507 20 10 FFCDLO CCOC(=O)N1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750043841 735767658 /nfs/dbraw/zinc/76/76/58/735767658.db2.gz HPGBMBWXSZJJFB-UHFFFAOYSA-N 1 2 354.834 2.912 20 10 FFCDLO CCOC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750043841 735767661 /nfs/dbraw/zinc/76/76/61/735767661.db2.gz HPGBMBWXSZJJFB-UHFFFAOYSA-N 1 2 354.834 2.912 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)C1CCCCC1 ZINC000789348117 739340535 /nfs/dbraw/zinc/34/05/35/739340535.db2.gz JUVIWFKEXSMLSQ-QGZVFWFLSA-N 1 2 355.862 2.962 20 10 FFCDLO COc1nn(C)cc1C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000903338900 736077386 /nfs/dbraw/zinc/07/73/86/736077386.db2.gz UOEPVOGATBGZQX-MRVPVSSYSA-N 1 2 358.211 2.887 20 10 FFCDLO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(Br)cc(F)c1O ZINC000903419766 736090140 /nfs/dbraw/zinc/09/01/40/736090140.db2.gz GQJJUVHZKRHSFZ-SECBINFHSA-N 1 2 370.222 2.871 20 10 FFCDLO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(Br)c(F)cc1O ZINC000756365181 736325390 /nfs/dbraw/zinc/32/53/90/736325390.db2.gz ZSPOVQQVDICERS-SNVBAGLBSA-N 1 2 359.239 2.957 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(F)cc(F)c1O ZINC000756469827 736334037 /nfs/dbraw/zinc/33/40/37/736334037.db2.gz KQWLQAWCKNCDED-SNVBAGLBSA-N 1 2 356.394 2.893 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Br)cc(F)c1O ZINC000756511151 736337674 /nfs/dbraw/zinc/33/76/74/736337674.db2.gz LXMVQYAZOYLUAJ-JOYOIKCWSA-N 1 2 362.239 2.732 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2n[nH]cc2Br)c1 ZINC000756583763 736344940 /nfs/dbraw/zinc/34/49/40/736344940.db2.gz BGQPUESOKKLYAF-QMMMGPOBSA-N 1 2 354.204 2.515 20 10 FFCDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756775708 736360680 /nfs/dbraw/zinc/36/06/80/736360680.db2.gz RLXXJEZYZLHZOA-PLMOITTCSA-N 1 2 359.239 2.859 20 10 FFCDLO O=C(C[N@H+](Cc1cccc(Cl)c1O)C[C@H]1CCCO1)N1CCCC1 ZINC000775719476 738117009 /nfs/dbraw/zinc/11/70/09/738117009.db2.gz UOEBZZMPPAOPOE-OAHLLOKOSA-N 1 2 352.862 2.649 20 10 FFCDLO O=C(C[N@@H+](Cc1cccc(Cl)c1O)C[C@H]1CCCO1)N1CCCC1 ZINC000775719476 738117011 /nfs/dbraw/zinc/11/70/11/738117011.db2.gz UOEBZZMPPAOPOE-OAHLLOKOSA-N 1 2 352.862 2.649 20 10 FFCDLO CCOCCOCC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000922944407 738222687 /nfs/dbraw/zinc/22/26/87/738222687.db2.gz LRTXCQHSRYEUJE-UHFFFAOYSA-N 1 2 352.656 2.951 20 10 FFCDLO COCC[N@H+](Cc1scnc1C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000787310673 739126076 /nfs/dbraw/zinc/12/60/76/739126076.db2.gz QOOKCQIGILJOEJ-UHFFFAOYSA-N 1 2 367.427 2.723 20 10 FFCDLO COCC[N@@H+](Cc1scnc1C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000787310673 739126080 /nfs/dbraw/zinc/12/60/80/739126080.db2.gz QOOKCQIGILJOEJ-UHFFFAOYSA-N 1 2 367.427 2.723 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000809708819 741334933 /nfs/dbraw/zinc/33/49/33/741334933.db2.gz HZXRSNLOOILSME-HUUCEWRRSA-N 1 2 368.861 2.915 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000809708819 741334936 /nfs/dbraw/zinc/33/49/36/741334936.db2.gz HZXRSNLOOILSME-HUUCEWRRSA-N 1 2 368.861 2.915 20 10 FFCDLO C[C@H]([NH2+]C1COCCOC1)c1cc(Br)cc(Cl)c1O ZINC000813881120 741770508 /nfs/dbraw/zinc/77/05/08/741770508.db2.gz TVYWJWBBFPZPGM-QMMMGPOBSA-N 1 2 350.640 2.874 20 10 FFCDLO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000824739534 743140069 /nfs/dbraw/zinc/14/00/69/743140069.db2.gz ZZEWVOVEMZXWSQ-UHFFFAOYSA-N 1 2 372.849 2.725 20 10 FFCDLO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000825327318 743249454 /nfs/dbraw/zinc/24/94/54/743249454.db2.gz SGSUSLIBVWLPBI-OCCSQVGLSA-N 1 2 366.259 2.898 20 10 FFCDLO COc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1-c1nn[nH]n1 ZINC000826202897 743372466 /nfs/dbraw/zinc/37/24/66/743372466.db2.gz RVZBEZXYMUUJPX-UHFFFAOYSA-N 1 2 363.780 2.663 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826510722 743389497 /nfs/dbraw/zinc/38/94/97/743389497.db2.gz HNYVUDVABZNOLY-UHFFFAOYSA-N 1 2 363.780 2.533 20 10 FFCDLO COC1CCN(c2ccc(C[N@@H+]3CC[S@@](=O)CC3(C)C)cc2)CC1 ZINC000829078252 745163590 /nfs/dbraw/zinc/16/35/90/745163590.db2.gz ZPSPISKUJAPWTD-XMMPIXPASA-N 1 2 350.528 2.645 20 10 FFCDLO COC1CCN(c2ccc(C[N@H+]3CC[S@@](=O)CC3(C)C)cc2)CC1 ZINC000829078252 745163593 /nfs/dbraw/zinc/16/35/93/745163593.db2.gz ZPSPISKUJAPWTD-XMMPIXPASA-N 1 2 350.528 2.645 20 10 FFCDLO OC[C@@H](CCF)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000846099794 748406941 /nfs/dbraw/zinc/40/69/41/748406941.db2.gz IYACEYIDFBSLBX-SECBINFHSA-N 1 2 371.044 2.727 20 10 FFCDLO COc1ccc(C[N@@H+]2CCc3nnn(C4CC(C)C4)c3C2)c(O)c1OC ZINC000895759037 970920148 /nfs/dbraw/zinc/92/01/48/970920148.db2.gz TWTQPRUKQOZJEH-UHFFFAOYSA-N 1 2 358.442 2.530 20 10 FFCDLO COc1ccc(C[N@H+]2CCc3nnn(C4CC(C)C4)c3C2)c(O)c1OC ZINC000895759037 970920157 /nfs/dbraw/zinc/92/01/57/970920157.db2.gz TWTQPRUKQOZJEH-UHFFFAOYSA-N 1 2 358.442 2.530 20 10 FFCDLO CN(C)c1ccc([C@H](CNC(=O)c2cc(F)c(O)c(F)c2)[NH+](C)C)cc1 ZINC000891249119 962591734 /nfs/dbraw/zinc/59/17/34/962591734.db2.gz QDWBJLKTYRCIFN-KRWDZBQOSA-N 1 2 363.408 2.769 20 10 FFCDLO CC[C@H](C)N1CC2(C[NH+](Cc3c(C)n(C)c4ccccc34)C2)OCC1=O ZINC001276095995 1013461499 /nfs/dbraw/zinc/46/14/99/1013461499.db2.gz NKIDPUIRGSARBW-HNNXBMFYSA-N 1 2 355.482 2.698 20 10 FFCDLO C[C@@H]1C(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 ZINC000021995218 979109482 /nfs/dbraw/zinc/10/94/82/979109482.db2.gz TZOXZQJRKWTROQ-MRXNPFEDSA-N 1 2 366.465 2.999 20 10 FFCDLO C[C@@H]1C(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 ZINC000021995218 979109484 /nfs/dbraw/zinc/10/94/84/979109484.db2.gz TZOXZQJRKWTROQ-MRXNPFEDSA-N 1 2 366.465 2.999 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)c(OC)c1 ZINC000877708227 1014692782 /nfs/dbraw/zinc/69/27/82/1014692782.db2.gz FMGRHFCJRQBQAL-UHFFFAOYSA-N 1 2 354.454 2.693 20 10 FFCDLO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1c(F)cncc1F ZINC000796625950 1014817940 /nfs/dbraw/zinc/81/79/40/1014817940.db2.gz LWRYHVZTHAHLLT-ZDUSSCGKSA-N 1 2 362.424 2.735 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC000057548033 984503581 /nfs/dbraw/zinc/50/35/81/984503581.db2.gz CPDZCVVICDUFBW-KRWDZBQOSA-N 1 2 353.466 2.522 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000916984567 990085899 /nfs/dbraw/zinc/08/58/99/990085899.db2.gz IRBTWMGSEKTSNY-FXAWDEMLSA-N 1 2 359.514 2.854 20 10 FFCDLO Oc1c(I)cccc1C[NH+]1CC(c2cccnc2)C1 ZINC001237782034 992716273 /nfs/dbraw/zinc/71/62/73/992716273.db2.gz CUTKLOVPHZKQLV-UHFFFAOYSA-N 1 2 366.202 2.991 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128327537 1015800878 /nfs/dbraw/zinc/80/08/78/1015800878.db2.gz YTTAZZMQGNCOSO-KRWDZBQOSA-N 1 2 353.470 2.534 20 10 FFCDLO O=C(Cc1cn2c([nH+]1)CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000845859147 998673349 /nfs/dbraw/zinc/67/33/49/998673349.db2.gz ABPJYZPRUMXSRN-GOSISDBHSA-N 1 2 369.465 2.675 20 10 FFCDLO CN(C)c1ccc(C[N@H+](CC(=O)NCC(=O)c2cccs2)C2CC2)cc1 ZINC000771792118 1001204242 /nfs/dbraw/zinc/20/42/42/1001204242.db2.gz WDSLCNUCRRVRIS-UHFFFAOYSA-N 1 2 371.506 2.778 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](CC(=O)NCC(=O)c2cccs2)C2CC2)cc1 ZINC000771792118 1001204247 /nfs/dbraw/zinc/20/42/47/1001204247.db2.gz WDSLCNUCRRVRIS-UHFFFAOYSA-N 1 2 371.506 2.778 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)C[C@H](Cc3ccccc3)C2=O)cc1 ZINC000788770371 1001860755 /nfs/dbraw/zinc/86/07/55/1001860755.db2.gz UEHJTSBOKKOVKE-IBGZPJMESA-N 1 2 365.477 2.760 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)C[C@H](Cc3ccccc3)C2=O)cc1 ZINC000788770371 1001860761 /nfs/dbraw/zinc/86/07/61/1001860761.db2.gz UEHJTSBOKKOVKE-IBGZPJMESA-N 1 2 365.477 2.760 20 10 FFCDLO COc1c(O)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000774820708 1002809232 /nfs/dbraw/zinc/80/92/32/1002809232.db2.gz MZUFKSCQNGDAEJ-UHFFFAOYSA-N 1 2 361.373 2.770 20 10 FFCDLO COc1c(O)c(C[N@H+](C)Cc2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774890066 1002967438 /nfs/dbraw/zinc/96/74/38/1002967438.db2.gz XOTYDRIMGPSIFW-UHFFFAOYSA-N 1 2 356.382 2.828 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)Cc2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774890066 1002967445 /nfs/dbraw/zinc/96/74/45/1002967445.db2.gz XOTYDRIMGPSIFW-UHFFFAOYSA-N 1 2 356.382 2.828 20 10 FFCDLO CN(C)C(=O)C[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237782112 1043356813 /nfs/dbraw/zinc/35/68/13/1043356813.db2.gz UROJCSIGKVSNIR-UHFFFAOYSA-N 1 2 369.181 2.694 20 10 FFCDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237782112 1043356821 /nfs/dbraw/zinc/35/68/21/1043356821.db2.gz UROJCSIGKVSNIR-UHFFFAOYSA-N 1 2 369.181 2.694 20 10 FFCDLO CCOc1cccc(C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c1O ZINC000816617550 1007139150 /nfs/dbraw/zinc/13/91/50/1007139150.db2.gz CMOUJTMVKNGMFQ-UHFFFAOYSA-N 1 2 350.422 2.930 20 10 FFCDLO CCOc1cccc(C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c1O ZINC000816617550 1007139156 /nfs/dbraw/zinc/13/91/56/1007139156.db2.gz CMOUJTMVKNGMFQ-UHFFFAOYSA-N 1 2 350.422 2.930 20 10 FFCDLO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Cl)c1O ZINC000858490581 1008368145 /nfs/dbraw/zinc/36/81/45/1008368145.db2.gz ZOTJJFTYTKLOOQ-IUODEOHRSA-N 1 2 372.860 2.803 20 10 FFCDLO CC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000773786003 1009203200 /nfs/dbraw/zinc/20/32/00/1009203200.db2.gz GFUDCEMJNMJMKF-PMACEKPBSA-N 1 2 359.514 2.792 20 10 FFCDLO CC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000773786003 1009203205 /nfs/dbraw/zinc/20/32/05/1009203205.db2.gz GFUDCEMJNMJMKF-PMACEKPBSA-N 1 2 359.514 2.792 20 10 FFCDLO CCC(CC)[C@H](C(=O)NCc1ccc2cccnc2c1O)[NH+]1CCOCC1 ZINC000862028014 1009669596 /nfs/dbraw/zinc/66/95/96/1009669596.db2.gz MXWUQUQGWLXIDQ-LJQANCHMSA-N 1 2 371.481 2.694 20 10 FFCDLO NC(=O)c1cccc2c1CC[N@H+](Cc1ccc(Br)cc1O)C2 ZINC001206799325 1032433130 /nfs/dbraw/zinc/43/31/30/1032433130.db2.gz DKKZIHGXNJYLMM-UHFFFAOYSA-N 1 2 361.239 2.812 20 10 FFCDLO NC(=O)c1cccc2c1CC[N@@H+](Cc1ccc(Br)cc1O)C2 ZINC001206799325 1032433135 /nfs/dbraw/zinc/43/31/35/1032433135.db2.gz DKKZIHGXNJYLMM-UHFFFAOYSA-N 1 2 361.239 2.812 20 10 FFCDLO C[C@@H](C(=O)N1Cc2cccc(O)c2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000871202711 1012782509 /nfs/dbraw/zinc/78/25/09/1012782509.db2.gz MARHTBZEPRBLER-HNNXBMFYSA-N 1 2 369.440 2.584 20 10 FFCDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC000827309257 1017544827 /nfs/dbraw/zinc/54/48/27/1017544827.db2.gz CLOWOSMAGHIZJL-UHFFFAOYSA-N 1 2 355.438 2.589 20 10 FFCDLO CCS(=O)(=O)N1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000726963970 1020559462 /nfs/dbraw/zinc/55/94/62/1020559462.db2.gz PSNUEPLWCLTSET-UHFFFAOYSA-N 1 2 374.462 2.759 20 10 FFCDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779020332 1022657797 /nfs/dbraw/zinc/65/77/97/1022657797.db2.gz QSOGUGWSSXKAHR-MRXNPFEDSA-N 1 2 372.440 2.951 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000755305883 1023589488 /nfs/dbraw/zinc/58/94/88/1023589488.db2.gz GNAAYIJKEQGKLX-NRFANRHFSA-N 1 2 373.541 2.992 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000755305883 1023589493 /nfs/dbraw/zinc/58/94/93/1023589493.db2.gz GNAAYIJKEQGKLX-NRFANRHFSA-N 1 2 373.541 2.992 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)c1 ZINC000756402816 1023704971 /nfs/dbraw/zinc/70/49/71/1023704971.db2.gz OPPFRIUNKZZKBG-CYBMUJFWSA-N 1 2 352.394 2.610 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C(=O)N(C)C)c3ccccc3)CC2)cc1F ZINC000084866890 1025152599 /nfs/dbraw/zinc/15/25/99/1025152599.db2.gz IEGPELXURLFIDU-HXUWFJFHSA-N 1 2 371.456 2.786 20 10 FFCDLO Cc1cc(C)c(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c(C)[nH+]1 ZINC000839475458 1026694165 /nfs/dbraw/zinc/69/41/65/1026694165.db2.gz VKPSSZCSZCJLBP-UHFFFAOYSA-N 1 2 366.465 2.644 20 10 FFCDLO CCOC(=O)c1nc2c(s1)C[N@H+](Cc1cccc(OCC)c1O)CC2 ZINC001203614297 1030787328 /nfs/dbraw/zinc/78/73/28/1030787328.db2.gz VDKBJJJGSSADKB-UHFFFAOYSA-N 1 2 362.451 2.982 20 10 FFCDLO CCOC(=O)c1nc2c(s1)C[N@@H+](Cc1cccc(OCC)c1O)CC2 ZINC001203614297 1030787346 /nfs/dbraw/zinc/78/73/46/1030787346.db2.gz VDKBJJJGSSADKB-UHFFFAOYSA-N 1 2 362.451 2.982 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2CC1CC1 ZINC001203877932 1030952725 /nfs/dbraw/zinc/95/27/25/1030952725.db2.gz LLHWAYPALQPSCB-INIZCTEOSA-N 1 2 357.454 2.840 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2CC1CC1 ZINC001203877932 1030952733 /nfs/dbraw/zinc/95/27/33/1030952733.db2.gz LLHWAYPALQPSCB-INIZCTEOSA-N 1 2 357.454 2.840 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968047 1033867633 /nfs/dbraw/zinc/86/76/33/1033867633.db2.gz XKHPPFVJJGVXTR-KPZWWZAWSA-N 1 2 370.852 2.787 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)Cc2nnn(C)c21 ZINC001138218324 1033970475 /nfs/dbraw/zinc/97/04/75/1033970475.db2.gz GTJFZJAAGSGKCC-SFHVURJKSA-N 1 2 369.513 2.941 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)Cc2nnn(C)c21 ZINC001138218324 1033970488 /nfs/dbraw/zinc/97/04/88/1033970488.db2.gz GTJFZJAAGSGKCC-SFHVURJKSA-N 1 2 369.513 2.941 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccnn3[C@H]3CCCCO3)CC2)cc1 ZINC001138774066 1034643715 /nfs/dbraw/zinc/64/37/15/1034643715.db2.gz XFSINOSGXHCKGC-HXUWFJFHSA-N 1 2 356.470 2.913 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC001139127584 1034959003 /nfs/dbraw/zinc/95/90/03/1034959003.db2.gz YFVFCPFYOAWNIF-UHFFFAOYSA-N 1 2 366.417 2.835 20 10 FFCDLO Oc1c(F)ccc(F)c1CN1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001139682211 1035197162 /nfs/dbraw/zinc/19/71/62/1035197162.db2.gz SLIXLMHBDJOLHP-UHFFFAOYSA-N 1 2 362.424 2.869 20 10 FFCDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198848 1035495347 /nfs/dbraw/zinc/49/53/47/1035495347.db2.gz KHFQSQWJOSELIU-SJPCQFCGSA-N 1 2 366.889 2.555 20 10 FFCDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198848 1035495350 /nfs/dbraw/zinc/49/53/50/1035495350.db2.gz KHFQSQWJOSELIU-SJPCQFCGSA-N 1 2 366.889 2.555 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)Cc2cn(C)nc21 ZINC001232259908 1035530787 /nfs/dbraw/zinc/53/07/87/1035530787.db2.gz MFHIAYBGMWLTRX-CYBMUJFWSA-N 1 2 351.834 2.621 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)Cc2cn(C)nc21 ZINC001232259908 1035530789 /nfs/dbraw/zinc/53/07/89/1035530789.db2.gz MFHIAYBGMWLTRX-CYBMUJFWSA-N 1 2 351.834 2.621 20 10 FFCDLO CCCCN1C(=O)COCC12C[NH+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001277212504 1035570609 /nfs/dbraw/zinc/57/06/09/1035570609.db2.gz JONDESSYEKQIBD-UHFFFAOYSA-N 1 2 352.862 2.567 20 10 FFCDLO C[N@H+](Cc1c(O)cc(F)cc1F)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001140585589 1035670157 /nfs/dbraw/zinc/67/01/57/1035670157.db2.gz PBIICRHTAGRNHN-ATCWAGBWSA-N 1 2 354.397 2.968 20 10 FFCDLO C[N@@H+](Cc1c(O)cc(F)cc1F)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001140585589 1035670169 /nfs/dbraw/zinc/67/01/69/1035670169.db2.gz PBIICRHTAGRNHN-ATCWAGBWSA-N 1 2 354.397 2.968 20 10 FFCDLO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232528 1035681531 /nfs/dbraw/zinc/68/15/31/1035681531.db2.gz SNHPJSQJOILWMP-IUODEOHRSA-N 1 2 364.873 2.741 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[NH+]3CC(OC)C3)c2)nc1C ZINC001232451761 1035697148 /nfs/dbraw/zinc/69/71/48/1035697148.db2.gz OOCXRLSQEACUDT-UHFFFAOYSA-N 1 2 362.451 2.831 20 10 FFCDLO COC(=O)C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCCC1 ZINC001140663386 1035815318 /nfs/dbraw/zinc/81/53/18/1035815318.db2.gz CIKCFSOPAGIWIR-UHFFFAOYSA-N 1 2 350.434 2.580 20 10 FFCDLO COC(=O)C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCCC1 ZINC001140663386 1035815335 /nfs/dbraw/zinc/81/53/35/1035815335.db2.gz CIKCFSOPAGIWIR-UHFFFAOYSA-N 1 2 350.434 2.580 20 10 FFCDLO Cc1c(O)ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c1O ZINC001140744334 1036033338 /nfs/dbraw/zinc/03/33/38/1036033338.db2.gz UHMMYEYDANHVMI-AWEZNQCLSA-N 1 2 354.422 2.797 20 10 FFCDLO Cc1c(O)ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c1O ZINC001140744334 1036033344 /nfs/dbraw/zinc/03/33/44/1036033344.db2.gz UHMMYEYDANHVMI-AWEZNQCLSA-N 1 2 354.422 2.797 20 10 FFCDLO Cc1cnc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)nc1 ZINC001233419681 1036613771 /nfs/dbraw/zinc/61/37/71/1036613771.db2.gz IKJVLCSXWMASNL-UHFFFAOYSA-N 1 2 352.360 2.832 20 10 FFCDLO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)c(F)cc1O)CC2 ZINC001276517864 1037285325 /nfs/dbraw/zinc/28/53/25/1037285325.db2.gz JQRMNEZVPSOJQR-LLVKDONJSA-N 1 2 371.250 2.642 20 10 FFCDLO OC[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)C[C@@H]1C(F)(F)F ZINC001235295790 1037457572 /nfs/dbraw/zinc/45/75/72/1037457572.db2.gz FTSOWCFRDAANBP-SCZZXKLOSA-N 1 2 372.156 2.896 20 10 FFCDLO OC[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)C[C@@H]1C(F)(F)F ZINC001235295790 1037457578 /nfs/dbraw/zinc/45/75/78/1037457578.db2.gz FTSOWCFRDAANBP-SCZZXKLOSA-N 1 2 372.156 2.896 20 10 FFCDLO COc1ccc(Br)c(C[N@H+](C)Cc2cnc(C)nc2)c1O ZINC001231558108 1037682787 /nfs/dbraw/zinc/68/27/87/1037682787.db2.gz XNLUKJJYRMYISO-UHFFFAOYSA-N 1 2 352.232 2.894 20 10 FFCDLO COc1ccc(Br)c(C[N@@H+](C)Cc2cnc(C)nc2)c1O ZINC001231558108 1037682802 /nfs/dbraw/zinc/68/28/02/1037682802.db2.gz XNLUKJJYRMYISO-UHFFFAOYSA-N 1 2 352.232 2.894 20 10 FFCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(CCOc2ccccc2)CC1 ZINC001231853515 1037952242 /nfs/dbraw/zinc/95/22/42/1037952242.db2.gz XLKUSUXEPWCXOG-UHFFFAOYSA-N 1 2 369.509 2.958 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231912730 1038007605 /nfs/dbraw/zinc/00/76/05/1038007605.db2.gz UXQAIMHLMYSZKA-AWEZNQCLSA-N 1 2 354.878 2.941 20 10 FFCDLO CS(=O)(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231913495 1038011977 /nfs/dbraw/zinc/01/19/77/1038011977.db2.gz KOZYBMUZBWKANU-UHFFFAOYSA-N 1 2 372.918 2.683 20 10 FFCDLO CCOc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3Cc2c[nH+]cn2C)cc1 ZINC001278000432 1038213598 /nfs/dbraw/zinc/21/35/98/1038213598.db2.gz HXJMZVMJIQZPRE-RTBURBONSA-N 1 2 354.454 2.589 20 10 FFCDLO COc1cc(O)c(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)c(Cl)c1 ZINC001236796376 1038275625 /nfs/dbraw/zinc/27/56/25/1038275625.db2.gz VECGXZJATBACJW-UHFFFAOYSA-N 1 2 374.828 2.845 20 10 FFCDLO COc1ccc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c(O)c1Cl ZINC001236804030 1038279749 /nfs/dbraw/zinc/27/97/49/1038279749.db2.gz LEKXPMJSRSHFEH-UKRRQHHQSA-N 1 2 374.872 2.803 20 10 FFCDLO COc1ccc(C[N@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c(O)c1Cl ZINC001236804030 1038279756 /nfs/dbraw/zinc/27/97/56/1038279756.db2.gz LEKXPMJSRSHFEH-UKRRQHHQSA-N 1 2 374.872 2.803 20 10 FFCDLO COc1cccc(N2CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)n1 ZINC001236807370 1038282495 /nfs/dbraw/zinc/28/24/95/1038282495.db2.gz OHPWGHLDLONJPP-UHFFFAOYSA-N 1 2 363.845 2.780 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(c3ncccc3OC)CC2)c(Cl)c1 ZINC001236810126 1038283159 /nfs/dbraw/zinc/28/31/59/1038283159.db2.gz ZXNNUMUZWVTRML-UHFFFAOYSA-N 1 2 363.845 2.780 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023144 1038329727 /nfs/dbraw/zinc/32/97/27/1038329727.db2.gz LXQZQSSEJIOKKX-SGTLLEGYSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023144 1038329740 /nfs/dbraw/zinc/32/97/40/1038329740.db2.gz LXQZQSSEJIOKKX-SGTLLEGYSA-N 1 2 370.852 2.787 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+]2CCN[C@H](C(F)(F)F)C2)c1O ZINC001236994926 1038401629 /nfs/dbraw/zinc/40/16/29/1038401629.db2.gz GLTXEQKCQXWIMH-NSHDSACASA-N 1 2 353.182 2.799 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+]2CCN[C@H](C(F)(F)F)C2)c1O ZINC001236994926 1038401633 /nfs/dbraw/zinc/40/16/33/1038401633.db2.gz GLTXEQKCQXWIMH-NSHDSACASA-N 1 2 353.182 2.799 20 10 FFCDLO CN1CC[NH+](C2CCN(Cc3c(O)ccc(Cl)c3Cl)CC2)CC1 ZINC001237082029 1038438835 /nfs/dbraw/zinc/43/88/35/1038438835.db2.gz PKIBYGOPPNIBQA-UHFFFAOYSA-N 1 2 358.313 2.911 20 10 FFCDLO Cc1cccc2c1C[N@H+](Cc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 ZINC001237201723 1038475061 /nfs/dbraw/zinc/47/50/61/1038475061.db2.gz ANZYBLYHBJSPDP-UHFFFAOYSA-N 1 2 356.491 2.746 20 10 FFCDLO Cc1cccc2c1C[N@@H+](Cc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 ZINC001237201723 1038475067 /nfs/dbraw/zinc/47/50/67/1038475067.db2.gz ANZYBLYHBJSPDP-UHFFFAOYSA-N 1 2 356.491 2.746 20 10 FFCDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256951609 1038662047 /nfs/dbraw/zinc/66/20/47/1038662047.db2.gz MTXYGONTGOINSQ-QGZVFWFLSA-N 1 2 362.393 2.670 20 10 FFCDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256951609 1038662051 /nfs/dbraw/zinc/66/20/51/1038662051.db2.gz MTXYGONTGOINSQ-QGZVFWFLSA-N 1 2 362.393 2.670 20 10 FFCDLO CC(C)=CCN1C[C@@]2(F)C[N@H+](Cc3cccc(C)c3O)C[C@@]2(F)C1=O ZINC001276683067 1039512623 /nfs/dbraw/zinc/51/26/23/1039512623.db2.gz GREWWUKSQHZAKN-RBUKOAKNSA-N 1 2 350.409 2.741 20 10 FFCDLO CC(C)=CCN1C[C@@]2(F)C[N@@H+](Cc3cccc(C)c3O)C[C@@]2(F)C1=O ZINC001276683067 1039512634 /nfs/dbraw/zinc/51/26/34/1039512634.db2.gz GREWWUKSQHZAKN-RBUKOAKNSA-N 1 2 350.409 2.741 20 10 FFCDLO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2c(F)ccc(F)c2O)c1 ZINC001237444908 1043169493 /nfs/dbraw/zinc/16/94/93/1043169493.db2.gz UAOBZEBOAXKFDS-KRWDZBQOSA-N 1 2 362.376 2.604 20 10 FFCDLO O=C(COC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)N1CCCC1 ZINC001237623873 1043280366 /nfs/dbraw/zinc/28/03/66/1043280366.db2.gz LVYKWUFRJTUXFE-UHFFFAOYSA-N 1 2 370.852 2.788 20 10 FFCDLO COc1cc(CN2CC[NH+](Cc3ccccc3OC)CC2)c(O)c(OC)c1 ZINC001237676902 1043305343 /nfs/dbraw/zinc/30/53/43/1043305343.db2.gz SJZFBRBASVSJBL-UHFFFAOYSA-N 1 2 372.465 2.736 20 10 FFCDLO OC[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237782594 1043356937 /nfs/dbraw/zinc/35/69/37/1043356937.db2.gz ZXVHLVIVXWFCHX-MRVPVSSYSA-N 1 2 354.166 2.988 20 10 FFCDLO OC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237782594 1043356946 /nfs/dbraw/zinc/35/69/46/1043356946.db2.gz ZXVHLVIVXWFCHX-MRVPVSSYSA-N 1 2 354.166 2.988 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1)C1CCOCC1 ZINC001237814364 1043375852 /nfs/dbraw/zinc/37/58/52/1043375852.db2.gz QNKFCFHXOJPEGZ-UHFFFAOYSA-N 1 2 370.852 2.692 20 10 FFCDLO COc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)nc1 ZINC001237939289 1043446765 /nfs/dbraw/zinc/44/67/65/1043446765.db2.gz AQAVZJAWQBKIFG-LLVKDONJSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1cccnc1N1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237949986 1043452347 /nfs/dbraw/zinc/45/23/47/1043452347.db2.gz QEWDOIWLBXQMDS-UHFFFAOYSA-N 1 2 351.809 2.911 20 10 FFCDLO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001279681208 1043457791 /nfs/dbraw/zinc/45/77/91/1043457791.db2.gz RVFCWDPAOREZDU-UHFFFAOYSA-N 1 2 373.375 2.526 20 10 FFCDLO COc1ccc(N2C[C@@H]3COC[C@H](C2)[N@@H+]3CCCC(F)(F)F)c(OC)c1 ZINC001279759210 1043598829 /nfs/dbraw/zinc/59/88/29/1043598829.db2.gz QVLGWNDJMKBTAV-OKILXGFUSA-N 1 2 374.403 2.936 20 10 FFCDLO COc1ccc(N2C[C@@H]3COC[C@H](C2)[N@H+]3CCCC(F)(F)F)c(OC)c1 ZINC001279759210 1043598837 /nfs/dbraw/zinc/59/88/37/1043598837.db2.gz QVLGWNDJMKBTAV-OKILXGFUSA-N 1 2 374.403 2.936 20 10 FFCDLO CC(C)(C)NC(=O)c1[nH]nc2c1C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001279982024 1044030821 /nfs/dbraw/zinc/03/08/21/1044030821.db2.gz MHQUHBFCXWRBEJ-UHFFFAOYSA-N 1 2 362.861 2.855 20 10 FFCDLO NC(=O)N=Nc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001290540509 1048211593 /nfs/dbraw/zinc/21/15/93/1048211593.db2.gz BMEBLEOLUYJJEV-UHFFFAOYSA-N 1 2 352.398 2.774 20 10 FFCDLO CNc1cc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc[nH+]1 ZINC001350891727 1055984885 /nfs/dbraw/zinc/98/48/85/1055984885.db2.gz CMRWFYYCMXFXFD-UHFFFAOYSA-N 1 2 369.469 2.600 20 10 FFCDLO O=C(CC[NH2+]Cc1cc(Br)cc(F)c1O)Nc1ccccn1 ZINC001461225559 1061257446 /nfs/dbraw/zinc/25/74/46/1061257446.db2.gz RJYUOIZPEZLIBM-UHFFFAOYSA-N 1 2 368.206 2.807 20 10 FFCDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1Cc2cccc(O)c2C1 ZINC001471355561 1064652783 /nfs/dbraw/zinc/65/27/83/1064652783.db2.gz LBURAYIKILHQLL-UHFFFAOYSA-N 1 2 350.334 2.642 20 10 FFCDLO COc1cc(C)c(C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c(O)c1 ZINC001560772921 1076298383 /nfs/dbraw/zinc/29/83/83/1076298383.db2.gz LHYGGRLQZGIYCI-UHFFFAOYSA-N 1 2 360.401 2.959 20 10 FFCDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC001587447715 1079793953 /nfs/dbraw/zinc/79/39/53/1079793953.db2.gz ZEHOEXRNLYQEGI-CVEARBPZSA-N 1 2 371.456 2.919 20 10 FFCDLO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)c1cnn(CC2CCC2)c1 ZINC001589953795 1080900528 /nfs/dbraw/zinc/90/05/28/1080900528.db2.gz VYCSSHGOQGWHHR-CHWSQXEVSA-N 1 2 367.457 2.981 20 10 FFCDLO C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589963332 1080906824 /nfs/dbraw/zinc/90/68/24/1080906824.db2.gz WHKQUMLNWXHJRX-CWSCBRNRSA-N 1 2 371.363 2.723 20 10 FFCDLO C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1cccc(-c2nn[nH]n2)c1O ZINC001589970443 1080912700 /nfs/dbraw/zinc/91/27/00/1080912700.db2.gz RSHSCYSKABLBTI-GFCCVEGCSA-N 1 2 368.441 2.995 20 10 FFCDLO COc1ccc(O)c(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000114591525 508328769 /nfs/dbraw/zinc/32/87/69/508328769.db2.gz JKJSFUJZCYGNHB-UHFFFAOYSA-N 1 2 352.394 2.586 20 10 FFCDLO COc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1O ZINC000105650804 508379699 /nfs/dbraw/zinc/37/96/99/508379699.db2.gz LTEMZEGBHYKJJE-GOSISDBHSA-N 1 2 372.490 2.807 20 10 FFCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193373896 509885472 /nfs/dbraw/zinc/88/54/72/509885472.db2.gz HIGCCKVKEYLHMC-FQEVSTJZSA-N 1 2 357.498 2.546 20 10 FFCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193373896 509885476 /nfs/dbraw/zinc/88/54/76/509885476.db2.gz HIGCCKVKEYLHMC-FQEVSTJZSA-N 1 2 357.498 2.546 20 10 FFCDLO CCc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)o1 ZINC000177641200 510173308 /nfs/dbraw/zinc/17/33/08/510173308.db2.gz IOXKSVMKGTYXHU-QINSGFPZSA-N 1 2 366.508 2.766 20 10 FFCDLO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187673022 510381873 /nfs/dbraw/zinc/38/18/73/510381873.db2.gz OAGNVYUSSXROQE-NSHDSACASA-N 1 2 350.365 2.760 20 10 FFCDLO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)nc(N2CCCC2)n1 ZINC000293863227 510878169 /nfs/dbraw/zinc/87/81/69/510878169.db2.gz XWVHJAFDXWOGMZ-CYBMUJFWSA-N 1 2 357.414 2.850 20 10 FFCDLO CC[C@H]([NH2+]CCCNS(C)(=O)=O)c1cc(Cl)cc(Cl)c1O ZINC000287544068 511053347 /nfs/dbraw/zinc/05/33/47/511053347.db2.gz FFNDUABBLIGILX-LBPRGKRZSA-N 1 2 355.287 2.679 20 10 FFCDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000290021006 511125756 /nfs/dbraw/zinc/12/57/56/511125756.db2.gz CIDNCVRUGQZNRD-GFCCVEGCSA-N 1 2 350.463 2.927 20 10 FFCDLO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273544147 511530411 /nfs/dbraw/zinc/53/04/11/511530411.db2.gz ZCZQLLRCPYXWOP-LBPRGKRZSA-N 1 2 360.366 2.703 20 10 FFCDLO O=C(NCc1c(O)ccc2c1CCCC2)C1CC[NH+](CC(F)F)CC1 ZINC000280762909 511593279 /nfs/dbraw/zinc/59/32/79/511593279.db2.gz LSABFFYSKRKHQA-UHFFFAOYSA-N 1 2 352.425 2.864 20 10 FFCDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC000285136768 512013819 /nfs/dbraw/zinc/01/38/19/512013819.db2.gz OJTVBTWUFRWJMZ-UHFFFAOYSA-N 1 2 366.870 2.512 20 10 FFCDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000285136768 512013825 /nfs/dbraw/zinc/01/38/25/512013825.db2.gz OJTVBTWUFRWJMZ-UHFFFAOYSA-N 1 2 366.870 2.512 20 10 FFCDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000372307742 512807371 /nfs/dbraw/zinc/80/73/71/512807371.db2.gz MULCLSGGVSYPRM-KRWDZBQOSA-N 1 2 353.470 2.719 20 10 FFCDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511075 608854750 /nfs/dbraw/zinc/85/47/50/608854750.db2.gz AZGHLUYDVLAPGO-KRWDZBQOSA-N 1 2 371.828 2.799 20 10 FFCDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511075 608854752 /nfs/dbraw/zinc/85/47/52/608854752.db2.gz AZGHLUYDVLAPGO-KRWDZBQOSA-N 1 2 371.828 2.799 20 10 FFCDLO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cccc(Cl)c3O)C2)c1Cl ZINC000898368115 735348608 /nfs/dbraw/zinc/34/86/08/735348608.db2.gz WWSQHHHKRAMEBO-SNVBAGLBSA-N 1 2 355.225 2.563 20 10 FFCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)Cc1ccccc1 ZINC000171938150 729015724 /nfs/dbraw/zinc/01/57/24/729015724.db2.gz SCHPCSAAXUXJME-KRWDZBQOSA-N 1 2 363.841 2.624 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)Cc1ccccc1 ZINC000171938150 729015729 /nfs/dbraw/zinc/01/57/29/729015729.db2.gz SCHPCSAAXUXJME-KRWDZBQOSA-N 1 2 363.841 2.624 20 10 FFCDLO O=C(NCc1cccc(Cl)c1O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000890759420 734336766 /nfs/dbraw/zinc/33/67/66/734336766.db2.gz AZDLADXVAVCHQE-QGZVFWFLSA-N 1 2 360.841 2.563 20 10 FFCDLO O=C(NCc1cccc(Cl)c1O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000890759420 734336769 /nfs/dbraw/zinc/33/67/69/734336769.db2.gz AZDLADXVAVCHQE-QGZVFWFLSA-N 1 2 360.841 2.563 20 10 FFCDLO COCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708124971 734362615 /nfs/dbraw/zinc/36/26/15/734362615.db2.gz KGFHCTKOIYIBCV-CYBMUJFWSA-N 1 2 352.656 2.685 20 10 FFCDLO Cc1nnc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 ZINC000892620779 734581671 /nfs/dbraw/zinc/58/16/71/734581671.db2.gz CUZLPYKJOIWZSD-VXGBXAGGSA-N 1 2 350.463 2.889 20 10 FFCDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000894747205 734909053 /nfs/dbraw/zinc/90/90/53/734909053.db2.gz IRWFWFNGGILBRF-SMDDNHRTSA-N 1 2 373.266 2.589 20 10 FFCDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000894747205 734909057 /nfs/dbraw/zinc/90/90/57/734909057.db2.gz IRWFWFNGGILBRF-SMDDNHRTSA-N 1 2 373.266 2.589 20 10 FFCDLO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000740900219 735097533 /nfs/dbraw/zinc/09/75/33/735097533.db2.gz MVYUSPMGVIFPQA-NEPJUHHUSA-N 1 2 362.289 2.600 20 10 FFCDLO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)c(F)cc1O ZINC000756533438 736339383 /nfs/dbraw/zinc/33/93/83/736339383.db2.gz HZVDSVDKZKIRJN-MNOVXSKESA-N 1 2 361.255 2.665 20 10 FFCDLO C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc(Br)c(F)cc1O ZINC000756539872 736339541 /nfs/dbraw/zinc/33/95/41/736339541.db2.gz UVTZPDDYSZZSLF-SECBINFHSA-N 1 2 361.211 2.787 20 10 FFCDLO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756537136 736339634 /nfs/dbraw/zinc/33/96/34/736339634.db2.gz WUXROMAQAPZMSV-MRVPVSSYSA-N 1 2 370.696 2.893 20 10 FFCDLO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000756546867 736341093 /nfs/dbraw/zinc/34/10/93/736341093.db2.gz TWCCTPREZOHBJL-MNOVXSKESA-N 1 2 361.255 2.665 20 10 FFCDLO COCCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756733435 736356814 /nfs/dbraw/zinc/35/68/14/736356814.db2.gz PNLMLDMZKBNOBO-VHSXEESVSA-N 1 2 350.228 2.996 20 10 FFCDLO COc1cc(Cl)cc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)c1O ZINC000761225267 736709605 /nfs/dbraw/zinc/70/96/05/736709605.db2.gz AYCRVMLJBDSOKF-UHFFFAOYSA-N 1 2 352.862 2.887 20 10 FFCDLO COc1cc(Cl)cc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)c1O ZINC000761225267 736709608 /nfs/dbraw/zinc/70/96/08/736709608.db2.gz AYCRVMLJBDSOKF-UHFFFAOYSA-N 1 2 352.862 2.887 20 10 FFCDLO CC(C)(C)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761984297 736779591 /nfs/dbraw/zinc/77/95/91/736779591.db2.gz YEZRTLOPMONFON-AWEZNQCLSA-N 1 2 352.862 2.741 20 10 FFCDLO CC(C)(C)C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761984297 736779595 /nfs/dbraw/zinc/77/95/95/736779595.db2.gz YEZRTLOPMONFON-AWEZNQCLSA-N 1 2 352.862 2.741 20 10 FFCDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000762633151 736848541 /nfs/dbraw/zinc/84/85/41/736848541.db2.gz JGJSMEZJCCFVCM-CYBMUJFWSA-N 1 2 357.859 2.729 20 10 FFCDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000762633151 736848545 /nfs/dbraw/zinc/84/85/45/736848545.db2.gz JGJSMEZJCCFVCM-CYBMUJFWSA-N 1 2 357.859 2.729 20 10 FFCDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000768532752 737430022 /nfs/dbraw/zinc/43/00/22/737430022.db2.gz POXZZYHNVQNHPW-UHFFFAOYSA-N 1 2 362.829 2.504 20 10 FFCDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000768532752 737430024 /nfs/dbraw/zinc/43/00/24/737430024.db2.gz POXZZYHNVQNHPW-UHFFFAOYSA-N 1 2 362.829 2.504 20 10 FFCDLO Fc1cc(C[NH2+]Cc2nccc(C(F)F)n2)ccc1N1CCOCC1 ZINC000808435863 741225510 /nfs/dbraw/zinc/22/55/10/741225510.db2.gz ZVHGOUZCZKJOAP-UHFFFAOYSA-N 1 2 352.360 2.680 20 10 FFCDLO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000809697806 741333051 /nfs/dbraw/zinc/33/30/51/741333051.db2.gz OUCZCVQYMJTXFL-CQSZACIVSA-N 1 2 355.841 2.955 20 10 FFCDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1CCOCC1 ZINC000825671131 743309124 /nfs/dbraw/zinc/30/91/24/743309124.db2.gz GDTOOIKTHSEBNS-HNNXBMFYSA-N 1 2 372.259 2.603 20 10 FFCDLO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)cc(F)c1O ZINC000834891610 745921291 /nfs/dbraw/zinc/92/12/91/745921291.db2.gz PLIUKKMIQMCAJO-WCFLWFBJSA-N 1 2 373.266 2.808 20 10 FFCDLO COCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@@H](O)C(F)(F)F ZINC000847030039 748601321 /nfs/dbraw/zinc/60/13/21/748601321.db2.gz UKERISINZXCGLK-CYBMUJFWSA-N 1 2 369.767 2.620 20 10 FFCDLO COCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@@H](O)C(F)(F)F ZINC000847030039 748601326 /nfs/dbraw/zinc/60/13/26/748601326.db2.gz UKERISINZXCGLK-CYBMUJFWSA-N 1 2 369.767 2.620 20 10 FFCDLO CO[C@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@@H]1CCOC1 ZINC000850484631 749371732 /nfs/dbraw/zinc/37/17/32/749371732.db2.gz NHACSQMKNZTPRB-GPCCPHFNSA-N 1 2 362.239 2.996 20 10 FFCDLO C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(N(C)C)cc1 ZINC000773421486 1013336552 /nfs/dbraw/zinc/33/65/52/1013336552.db2.gz DRWBSPAMLOACDE-WBVHZDCISA-N 1 2 353.470 2.787 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CCCO1 ZINC000894970466 967132343 /nfs/dbraw/zinc/13/23/43/967132343.db2.gz YXDPBBJSETWTDD-CQSZACIVSA-N 1 2 372.412 2.786 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CCCO1 ZINC000894970466 967132349 /nfs/dbraw/zinc/13/23/49/967132349.db2.gz YXDPBBJSETWTDD-CQSZACIVSA-N 1 2 372.412 2.786 20 10 FFCDLO Oc1cc(O)c(CC[NH2+]c2ccc3c(c2)C2(CN3)CCOCC2)cc1O ZINC001168010117 967796332 /nfs/dbraw/zinc/79/63/32/967796332.db2.gz QXRPETKRROMZOL-UHFFFAOYSA-N 1 2 356.422 2.932 20 10 FFCDLO [O-]c1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc(F)c1F ZINC000877060305 1014464148 /nfs/dbraw/zinc/46/41/48/1014464148.db2.gz IEWJTJGWWLYIGM-AEFFLSMTSA-N 1 2 362.420 2.643 20 10 FFCDLO [O-]c1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc(F)c1F ZINC000877060305 1014464156 /nfs/dbraw/zinc/46/41/56/1014464156.db2.gz IEWJTJGWWLYIGM-AEFFLSMTSA-N 1 2 362.420 2.643 20 10 FFCDLO Cc1cccc(NC(=O)CN2CC[NH+](Cc3cc(F)ccc3O)CC2)c1C ZINC000179887879 991370099 /nfs/dbraw/zinc/37/00/99/991370099.db2.gz FTBCPMJZCCXTMX-UHFFFAOYSA-N 1 2 371.456 2.904 20 10 FFCDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(O)c1O ZINC000182955608 992319536 /nfs/dbraw/zinc/31/95/36/992319536.db2.gz DSXMVMGLESFPDS-JKSUJKDBSA-N 1 2 362.376 2.860 20 10 FFCDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(O)c1O ZINC000182955608 992319548 /nfs/dbraw/zinc/31/95/48/992319548.db2.gz DSXMVMGLESFPDS-JKSUJKDBSA-N 1 2 362.376 2.860 20 10 FFCDLO Cc1cc(N2CC=C(CCNC(=O)[C@H]3OCC[C@H]3C)CC2)nc(C2CC2)[nH+]1 ZINC001089863920 992646480 /nfs/dbraw/zinc/64/64/80/992646480.db2.gz KCJHKKWNMAWORH-KUHUBIRLSA-N 1 2 370.497 2.730 20 10 FFCDLO Cc1cc(N2CC=C(CCNC(=O)[C@]34C[C@H]3COC4)CC2)nc(C(C)C)[nH+]1 ZINC001089866937 992682165 /nfs/dbraw/zinc/68/21/65/992682165.db2.gz VTLHGWAPSZUJBH-UWJYYQICSA-N 1 2 370.497 2.588 20 10 FFCDLO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C)cc1C ZINC001082525086 994822938 /nfs/dbraw/zinc/82/29/38/994822938.db2.gz YESVPEPIFQUFDJ-KYOSRNDESA-N 1 2 362.367 2.841 20 10 FFCDLO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C)cc1C ZINC001082525086 994822945 /nfs/dbraw/zinc/82/29/45/994822945.db2.gz YESVPEPIFQUFDJ-KYOSRNDESA-N 1 2 362.367 2.841 20 10 FFCDLO CCN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(OC)cc1 ZINC000747681601 995043581 /nfs/dbraw/zinc/04/35/81/995043581.db2.gz CJFCRQSTJCMXPO-UHFFFAOYSA-N 1 2 373.522 2.927 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1cccc(C)c1 ZINC000730228711 996995352 /nfs/dbraw/zinc/99/53/52/996995352.db2.gz WIUZJVLXROLDAI-KRWDZBQOSA-N 1 2 368.525 2.768 20 10 FFCDLO OC[C@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)C[C@@H]1C(F)(F)F ZINC001144298996 998284572 /nfs/dbraw/zinc/28/45/72/998284572.db2.gz OEDJGUZHRXEODV-BDAKNGLRSA-N 1 2 372.156 2.896 20 10 FFCDLO OC[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)C[C@@H]1C(F)(F)F ZINC001144298996 998284584 /nfs/dbraw/zinc/28/45/84/998284584.db2.gz OEDJGUZHRXEODV-BDAKNGLRSA-N 1 2 372.156 2.896 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144306889 998301687 /nfs/dbraw/zinc/30/16/87/998301687.db2.gz VRUQIGCREFWQRP-MWLCHTKSSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144306889 998301698 /nfs/dbraw/zinc/30/16/98/998301698.db2.gz VRUQIGCREFWQRP-MWLCHTKSSA-N 1 2 360.223 2.925 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000745655387 999924267 /nfs/dbraw/zinc/92/42/67/999924267.db2.gz JFMRTJMTLYJJEI-HXUWFJFHSA-N 1 2 374.529 2.539 20 10 FFCDLO CCCCNc1cc(N2CCCN(c3ccc(OC)cc3)CC2)nc(N)[nH+]1 ZINC000804364479 1000187335 /nfs/dbraw/zinc/18/73/35/1000187335.db2.gz RZQRONHDTSMGMQ-UHFFFAOYSA-N 1 2 370.501 2.996 20 10 FFCDLO CCCCNc1cc(N2CCCN(c3ccc(OC)cc3)CC2)[nH+]c(N)n1 ZINC000804364479 1000187337 /nfs/dbraw/zinc/18/73/37/1000187337.db2.gz RZQRONHDTSMGMQ-UHFFFAOYSA-N 1 2 370.501 2.996 20 10 FFCDLO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276191845 1016503042 /nfs/dbraw/zinc/50/30/42/1016503042.db2.gz BTBYTYRYXYTROT-LJQANCHMSA-N 1 2 368.424 2.521 20 10 FFCDLO CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276191845 1016503055 /nfs/dbraw/zinc/50/30/55/1016503055.db2.gz BTBYTYRYXYTROT-LJQANCHMSA-N 1 2 368.424 2.521 20 10 FFCDLO O=C(c1ccc(O)c(O)c1Cl)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001193231921 1004411089 /nfs/dbraw/zinc/41/10/89/1004411089.db2.gz BEBXIUCSIHWYNW-OAHLLOKOSA-N 1 2 358.825 2.806 20 10 FFCDLO O=C(c1ccc(O)c(O)c1Cl)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001193231921 1004411093 /nfs/dbraw/zinc/41/10/93/1004411093.db2.gz BEBXIUCSIHWYNW-OAHLLOKOSA-N 1 2 358.825 2.806 20 10 FFCDLO Cc1cc(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815093692 1006515725 /nfs/dbraw/zinc/51/57/25/1006515725.db2.gz QKUTYZJHALOPSF-QGZVFWFLSA-N 1 2 363.502 2.787 20 10 FFCDLO Cc1cc(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815093692 1006515732 /nfs/dbraw/zinc/51/57/32/1006515732.db2.gz QKUTYZJHALOPSF-QGZVFWFLSA-N 1 2 363.502 2.787 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000115521837 1008202488 /nfs/dbraw/zinc/20/24/88/1008202488.db2.gz MMQAMTAXPASAIZ-MRXNPFEDSA-N 1 2 355.486 2.672 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000115521837 1008202489 /nfs/dbraw/zinc/20/24/89/1008202489.db2.gz MMQAMTAXPASAIZ-MRXNPFEDSA-N 1 2 355.486 2.672 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cc(F)cc(F)c1O ZINC000858565693 1008383403 /nfs/dbraw/zinc/38/34/03/1008383403.db2.gz XICWHSUZGZQOMP-CJNGLKHVSA-N 1 2 363.408 2.617 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000859056481 1008470137 /nfs/dbraw/zinc/47/01/37/1008470137.db2.gz WVLNJEFBFLHPJB-HXUWFJFHSA-N 1 2 357.498 2.751 20 10 FFCDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000822525554 1008646917 /nfs/dbraw/zinc/64/69/17/1008646917.db2.gz IAGWUYPYEBWWIM-HXUWFJFHSA-N 1 2 355.457 2.955 20 10 FFCDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000822525554 1008646920 /nfs/dbraw/zinc/64/69/20/1008646920.db2.gz IAGWUYPYEBWWIM-HXUWFJFHSA-N 1 2 355.457 2.955 20 10 FFCDLO COc1ccc(N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cc1F ZINC000934405128 1021221874 /nfs/dbraw/zinc/22/18/74/1021221874.db2.gz RQULEQIFDMGFOS-UHFFFAOYSA-N 1 2 354.385 2.673 20 10 FFCDLO CCN(C(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CCCCC1 ZINC000039561514 1021652787 /nfs/dbraw/zinc/65/27/87/1021652787.db2.gz MMMRBHCTIOYTTC-UHFFFAOYSA-N 1 2 359.514 2.998 20 10 FFCDLO CCCN(CCC)c1ccc(C[NH+]2CC(n3cc(C(=O)OC)nn3)C2)cc1 ZINC000779614499 1024278184 /nfs/dbraw/zinc/27/81/84/1024278184.db2.gz VHQOWOLEXAQHAP-UHFFFAOYSA-N 1 2 371.485 2.748 20 10 FFCDLO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000759098164 1024465727 /nfs/dbraw/zinc/46/57/27/1024465727.db2.gz WDGOKZFYYLIFKF-FQEVSTJZSA-N 1 2 367.493 2.949 20 10 FFCDLO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000759097190 1024465989 /nfs/dbraw/zinc/46/59/89/1024465989.db2.gz LHPSELWZJCXFAU-IBGZPJMESA-N 1 2 371.456 2.780 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)Cc2nn(CC)cc21 ZINC001141142655 1025513265 /nfs/dbraw/zinc/51/32/65/1025513265.db2.gz VQHWFHHEWIAHPL-QGZVFWFLSA-N 1 2 370.497 2.868 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)Cc2nn(CC)cc21 ZINC001141142655 1025513277 /nfs/dbraw/zinc/51/32/77/1025513277.db2.gz VQHWFHHEWIAHPL-QGZVFWFLSA-N 1 2 370.497 2.868 20 10 FFCDLO CN1CCOc2cc(C[NH+]3CCN(C(=O)Nc4ccccc4)CC3)ccc21 ZINC001141143991 1025517773 /nfs/dbraw/zinc/51/77/73/1025517773.db2.gz RGYQDSFZTSRFNO-UHFFFAOYSA-N 1 2 366.465 2.865 20 10 FFCDLO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1occc1C ZINC000839660428 1026778699 /nfs/dbraw/zinc/77/86/99/1026778699.db2.gz FOTZZDWKVFRNMP-UHFFFAOYSA-N 1 2 371.481 2.767 20 10 FFCDLO CC[N@@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1occc1C ZINC000839660428 1026778709 /nfs/dbraw/zinc/77/87/09/1026778709.db2.gz FOTZZDWKVFRNMP-UHFFFAOYSA-N 1 2 371.481 2.767 20 10 FFCDLO Cn1cncc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001204389255 1027538189 /nfs/dbraw/zinc/53/81/89/1027538189.db2.gz OURFAGOHCCQOCY-UHFFFAOYSA-N 1 2 363.465 2.716 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2CC1CC1 ZINC001203877933 1030952218 /nfs/dbraw/zinc/95/22/18/1030952218.db2.gz LLHWAYPALQPSCB-MRXNPFEDSA-N 1 2 357.454 2.840 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2c1cnn2CC1CC1 ZINC001203877933 1030952229 /nfs/dbraw/zinc/95/22/29/1030952229.db2.gz LLHWAYPALQPSCB-MRXNPFEDSA-N 1 2 357.454 2.840 20 10 FFCDLO CS(=O)(=O)c1ccc(C2CC[NH+](Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001203882334 1030955350 /nfs/dbraw/zinc/95/53/50/1030955350.db2.gz BVZYMMHONSMQEJ-UHFFFAOYSA-N 1 2 361.463 2.881 20 10 FFCDLO CS(=O)(=O)c1cccc([C@H]2CCC[N@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203880813 1030956664 /nfs/dbraw/zinc/95/66/64/1030956664.db2.gz ISYUSBMXLSIISV-INIZCTEOSA-N 1 2 361.463 2.881 20 10 FFCDLO CS(=O)(=O)c1cccc([C@H]2CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203880813 1030956674 /nfs/dbraw/zinc/95/66/74/1030956674.db2.gz ISYUSBMXLSIISV-INIZCTEOSA-N 1 2 361.463 2.881 20 10 FFCDLO COc1ccc(O)c([C@H](C)NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)c1 ZINC001150542787 1031736141 /nfs/dbraw/zinc/73/61/41/1031736141.db2.gz FBMPMQAJFPHZHN-LBPRGKRZSA-N 1 2 353.378 2.783 20 10 FFCDLO COC(=O)c1cc(Br)c(O)c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205843971 1032030552 /nfs/dbraw/zinc/03/05/52/1032030552.db2.gz UXLSUIOQGYCCIO-GXFFZTMASA-N 1 2 371.275 2.501 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001138125333 1033804131 /nfs/dbraw/zinc/80/41/31/1033804131.db2.gz OHILDZIXYMSVFL-HNNXBMFYSA-N 1 2 368.412 2.834 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001138125333 1033804139 /nfs/dbraw/zinc/80/41/39/1033804139.db2.gz OHILDZIXYMSVFL-HNNXBMFYSA-N 1 2 368.412 2.834 20 10 FFCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001138220414 1033972246 /nfs/dbraw/zinc/97/22/46/1033972246.db2.gz BOOBYBPUZRAXNG-FNLKRUPLSA-N 1 2 358.482 2.829 20 10 FFCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001138220414 1033972255 /nfs/dbraw/zinc/97/22/55/1033972255.db2.gz BOOBYBPUZRAXNG-FNLKRUPLSA-N 1 2 358.482 2.829 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC001139134134 1034964760 /nfs/dbraw/zinc/96/47/60/1034964760.db2.gz XUYDWCFTYOWQGM-UHFFFAOYSA-N 1 2 353.422 2.920 20 10 FFCDLO Oc1cccc(Cl)c1C[N@@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001140338201 1035442902 /nfs/dbraw/zinc/44/29/02/1035442902.db2.gz AGYRZHJJVRBTCT-UHFFFAOYSA-N 1 2 362.861 2.970 20 10 FFCDLO Oc1cccc(Cl)c1C[N@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001140338201 1035442903 /nfs/dbraw/zinc/44/29/03/1035442903.db2.gz AGYRZHJJVRBTCT-UHFFFAOYSA-N 1 2 362.861 2.970 20 10 FFCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC001140478770 1035488456 /nfs/dbraw/zinc/48/84/56/1035488456.db2.gz BBFDMTLOQBQOJH-MOPGFXCFSA-N 1 2 373.497 2.717 20 10 FFCDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@H+]3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC001140478770 1035488458 /nfs/dbraw/zinc/48/84/58/1035488458.db2.gz BBFDMTLOQBQOJH-MOPGFXCFSA-N 1 2 373.497 2.717 20 10 FFCDLO Cc1cc(C)c(C[N@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277204562 1035528407 /nfs/dbraw/zinc/52/84/07/1035528407.db2.gz OVFGNKUGRJDTSQ-RBUKOAKNSA-N 1 2 352.425 2.739 20 10 FFCDLO Cc1cc(C)c(C[N@@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277204562 1035528418 /nfs/dbraw/zinc/52/84/18/1035528418.db2.gz OVFGNKUGRJDTSQ-RBUKOAKNSA-N 1 2 352.425 2.739 20 10 FFCDLO CC(C)(C)OC(=O)N1CC2(C1)C[NH+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232258660 1035529341 /nfs/dbraw/zinc/52/93/41/1035529341.db2.gz CALGXQPGNPJZIP-UHFFFAOYSA-N 1 2 354.834 2.804 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584260 1035668167 /nfs/dbraw/zinc/66/81/67/1035668167.db2.gz KUDGHXZYNMDGMD-ZDUSSCGKSA-N 1 2 356.413 2.566 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584260 1035668174 /nfs/dbraw/zinc/66/81/74/1035668174.db2.gz KUDGHXZYNMDGMD-ZDUSSCGKSA-N 1 2 356.413 2.566 20 10 FFCDLO O=C1N(Cc2cnoc2)CC[C@@]12CCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277231839 1035671629 /nfs/dbraw/zinc/67/16/29/1035671629.db2.gz GDYPLHZBJAYGDR-SFHVURJKSA-N 1 2 361.829 2.801 20 10 FFCDLO O=C1N(Cc2cnoc2)CC[C@@]12CCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277231839 1035671636 /nfs/dbraw/zinc/67/16/36/1035671636.db2.gz GDYPLHZBJAYGDR-SFHVURJKSA-N 1 2 361.829 2.801 20 10 FFCDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277232719 1035682208 /nfs/dbraw/zinc/68/22/08/1035682208.db2.gz XZSBUEGZBGFLAD-HZPDHXFCSA-N 1 2 352.862 2.647 20 10 FFCDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Cl)c1O ZINC001277232719 1035682215 /nfs/dbraw/zinc/68/22/15/1035682215.db2.gz XZSBUEGZBGFLAD-HZPDHXFCSA-N 1 2 352.862 2.647 20 10 FFCDLO CC[N@@H+]1CC[C@@H](Oc2cc(O)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)C1 ZINC001227994592 1035858575 /nfs/dbraw/zinc/85/85/75/1035858575.db2.gz NPAZPTZCWFZPBI-CYBMUJFWSA-N 1 2 367.401 2.655 20 10 FFCDLO CC[N@H+]1CC[C@@H](Oc2cc(O)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)C1 ZINC001227994592 1035858603 /nfs/dbraw/zinc/85/86/03/1035858603.db2.gz NPAZPTZCWFZPBI-CYBMUJFWSA-N 1 2 367.401 2.655 20 10 FFCDLO O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001228116168 1035941896 /nfs/dbraw/zinc/94/18/96/1035941896.db2.gz VFSCCJAMPFXJEW-QGZVFWFLSA-N 1 2 355.390 2.507 20 10 FFCDLO Cc1cc(Br)cc(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c1O ZINC001233110567 1036357399 /nfs/dbraw/zinc/35/73/99/1036357399.db2.gz FYLKTMYFZSPOBC-STQMWFEESA-N 1 2 369.303 2.757 20 10 FFCDLO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1cccc(C(F)(F)F)c1O)CCO2 ZINC001233418118 1036610460 /nfs/dbraw/zinc/61/04/60/1036610460.db2.gz UQNOPHQSONFGQS-QGZVFWFLSA-N 1 2 372.387 2.624 20 10 FFCDLO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1cccc(C(F)(F)F)c1O)CCO2 ZINC001233418118 1036610467 /nfs/dbraw/zinc/61/04/67/1036610467.db2.gz UQNOPHQSONFGQS-QGZVFWFLSA-N 1 2 372.387 2.624 20 10 FFCDLO Cc1cc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)ncn1 ZINC001233419508 1036613242 /nfs/dbraw/zinc/61/32/42/1036613242.db2.gz ABACXOWYCRHWNN-UHFFFAOYSA-N 1 2 352.360 2.832 20 10 FFCDLO COc1cnc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)nc1 ZINC001233419542 1036613277 /nfs/dbraw/zinc/61/32/77/1036613277.db2.gz BWLDJKSGZXHXPM-UHFFFAOYSA-N 1 2 368.359 2.532 20 10 FFCDLO COCCCN1CC[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388675 1036683852 /nfs/dbraw/zinc/68/38/52/1036683852.db2.gz ZDKQPRLTVUXROI-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO COCCCN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388675 1036683860 /nfs/dbraw/zinc/68/38/60/1036683860.db2.gz ZDKQPRLTVUXROI-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO CCc1ccc(C[N@H+]2C[C@]3(F)CN([C@@H](C)CC)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277825907 1036874611 /nfs/dbraw/zinc/87/46/11/1036874611.db2.gz GUVCYOTUZPLIJT-FASAQXTFSA-N 1 2 352.425 2.828 20 10 FFCDLO CCc1ccc(C[N@@H+]2C[C@]3(F)CN([C@@H](C)CC)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277825907 1036874629 /nfs/dbraw/zinc/87/46/29/1036874629.db2.gz GUVCYOTUZPLIJT-FASAQXTFSA-N 1 2 352.425 2.828 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078539 1036929700 /nfs/dbraw/zinc/92/97/00/1036929700.db2.gz ZWYFEAWQPBBRBI-OWZKRDHZSA-N 1 2 370.493 2.538 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078539 1036929713 /nfs/dbraw/zinc/92/97/13/1036929713.db2.gz ZWYFEAWQPBBRBI-OWZKRDHZSA-N 1 2 370.493 2.538 20 10 FFCDLO CC(C)=CCN1C(=O)COCC12C[NH+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001277426634 1036950805 /nfs/dbraw/zinc/95/08/05/1036950805.db2.gz JBOKQMKRGWPAQX-UHFFFAOYSA-N 1 2 364.873 2.733 20 10 FFCDLO CCOC(=O)c1cc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)c[nH]1 ZINC001234954122 1037260709 /nfs/dbraw/zinc/26/07/09/1037260709.db2.gz SBXGHKKTGXNGSE-UHFFFAOYSA-N 1 2 373.453 2.531 20 10 FFCDLO Cn1cnnc1C1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235303612 1037464650 /nfs/dbraw/zinc/46/46/50/1037464650.db2.gz PGWMGPZCMKLGNQ-UHFFFAOYSA-N 1 2 369.238 2.802 20 10 FFCDLO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)O1 ZINC001235305193 1037464785 /nfs/dbraw/zinc/46/47/85/1037464785.db2.gz KCHMNWMZPDUHOF-HNNXBMFYSA-N 1 2 358.207 2.965 20 10 FFCDLO O=C1CC[C@]2(CCC[N@H+](Cc3cc(F)cc(Br)c3O)C2)O1 ZINC001235305193 1037464794 /nfs/dbraw/zinc/46/47/94/1037464794.db2.gz KCHMNWMZPDUHOF-HNNXBMFYSA-N 1 2 358.207 2.965 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2OC)Cc2c1cnn2C ZINC001231851253 1037949022 /nfs/dbraw/zinc/94/90/22/1037949022.db2.gz BMLCTOIRVJDFNS-INIZCTEOSA-N 1 2 358.486 2.631 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)Cc2c1cnn2C ZINC001231851253 1037949024 /nfs/dbraw/zinc/94/90/24/1037949024.db2.gz BMLCTOIRVJDFNS-INIZCTEOSA-N 1 2 358.486 2.631 20 10 FFCDLO COCCN1CC[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001231909995 1038002732 /nfs/dbraw/zinc/00/27/32/1038002732.db2.gz ITLRXBQLZNVVMG-GOSISDBHSA-N 1 2 352.862 2.507 20 10 FFCDLO COCCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001231909995 1038002750 /nfs/dbraw/zinc/00/27/50/1038002750.db2.gz ITLRXBQLZNVVMG-GOSISDBHSA-N 1 2 352.862 2.507 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3cnc(F)cc3C)CC2)cc1 ZINC001231986154 1038083604 /nfs/dbraw/zinc/08/36/04/1038083604.db2.gz ZPVCDMLMBAWYOY-UHFFFAOYSA-N 1 2 359.445 2.877 20 10 FFCDLO O=C([C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(Cl)cc1O)N1CCOCC1 ZINC001236797257 1038277056 /nfs/dbraw/zinc/27/70/56/1038277056.db2.gz WYKSNAJMLLLQID-HNNXBMFYSA-N 1 2 373.280 2.912 20 10 FFCDLO O=C([C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(Cl)cc1O)N1CCOCC1 ZINC001236797257 1038277064 /nfs/dbraw/zinc/27/70/64/1038277064.db2.gz WYKSNAJMLLLQID-HNNXBMFYSA-N 1 2 373.280 2.912 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236925678 1038357975 /nfs/dbraw/zinc/35/79/75/1038357975.db2.gz GPDHGNOFDQXUFX-SKDZVZGDSA-N 1 2 364.873 2.703 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236925678 1038357988 /nfs/dbraw/zinc/35/79/88/1038357988.db2.gz GPDHGNOFDQXUFX-SKDZVZGDSA-N 1 2 364.873 2.703 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(OCC)cc2O)Cc2nnn(CC)c21 ZINC001237040344 1038418765 /nfs/dbraw/zinc/41/87/65/1038418765.db2.gz HLDKHMKEVKCITR-OAHLLOKOSA-N 1 2 360.458 2.538 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(OCC)cc2O)Cc2nnn(CC)c21 ZINC001237040344 1038418768 /nfs/dbraw/zinc/41/87/68/1038418768.db2.gz HLDKHMKEVKCITR-OAHLLOKOSA-N 1 2 360.458 2.538 20 10 FFCDLO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001278605690 1041392457 /nfs/dbraw/zinc/39/24/57/1041392457.db2.gz IGBOZYMOBRNQBZ-HIFRSBDPSA-N 1 2 362.424 2.593 20 10 FFCDLO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001278605690 1041392462 /nfs/dbraw/zinc/39/24/62/1041392462.db2.gz IGBOZYMOBRNQBZ-HIFRSBDPSA-N 1 2 362.424 2.593 20 10 FFCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279683764 1043464182 /nfs/dbraw/zinc/46/41/82/1043464182.db2.gz IQOGUSJKPFDMDQ-SWLSCSKDSA-N 1 2 350.825 2.614 20 10 FFCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279683764 1043464193 /nfs/dbraw/zinc/46/41/93/1043464193.db2.gz IQOGUSJKPFDMDQ-SWLSCSKDSA-N 1 2 350.825 2.614 20 10 FFCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001279683764 1043464197 /nfs/dbraw/zinc/46/41/97/1043464197.db2.gz IQOGUSJKPFDMDQ-SWLSCSKDSA-N 1 2 350.825 2.614 20 10 FFCDLO Oc1ccc(F)c(Cl)c1CN1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001279683764 1043464205 /nfs/dbraw/zinc/46/42/05/1043464205.db2.gz IQOGUSJKPFDMDQ-SWLSCSKDSA-N 1 2 350.825 2.614 20 10 FFCDLO [O-]c1c(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)ccc(F)c1F ZINC001279697567 1043488910 /nfs/dbraw/zinc/48/89/10/1043488910.db2.gz MQWQURGJIWMKQK-IBGZPJMESA-N 1 2 362.424 2.882 20 10 FFCDLO [O-]c1c(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)ccc(F)c1F ZINC001279697567 1043488918 /nfs/dbraw/zinc/48/89/18/1043488918.db2.gz MQWQURGJIWMKQK-IBGZPJMESA-N 1 2 362.424 2.882 20 10 FFCDLO [O-]c1c(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)ccc(F)c1F ZINC001279697567 1043488925 /nfs/dbraw/zinc/48/89/25/1043488925.db2.gz MQWQURGJIWMKQK-IBGZPJMESA-N 1 2 362.424 2.882 20 10 FFCDLO [O-]c1c(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)ccc(F)c1F ZINC001279697567 1043488931 /nfs/dbraw/zinc/48/89/31/1043488931.db2.gz MQWQURGJIWMKQK-IBGZPJMESA-N 1 2 362.424 2.882 20 10 FFCDLO COc1ccc(N2CCC[C@@]3(C2)C[N@H+](Cc2cn[nH]c2)CCO3)c(C)c1 ZINC001279769489 1043613350 /nfs/dbraw/zinc/61/33/50/1043613350.db2.gz XJAKDLQRIOFFEF-FQEVSTJZSA-N 1 2 356.470 2.598 20 10 FFCDLO COc1ccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cn[nH]c2)CCO3)c(C)c1 ZINC001279769489 1043613354 /nfs/dbraw/zinc/61/33/54/1043613354.db2.gz XJAKDLQRIOFFEF-FQEVSTJZSA-N 1 2 356.470 2.598 20 10 FFCDLO C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC001311912322 1044000482 /nfs/dbraw/zinc/00/04/82/1044000482.db2.gz AFMPIRWZLQLGLR-ROUUACIJSA-N 1 2 374.529 2.537 20 10 FFCDLO O=C(NCc1cnc[nH]1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001279983172 1044034266 /nfs/dbraw/zinc/03/42/66/1044034266.db2.gz FTHSPFLFZYLXDG-ZXYKHMISSA-N 1 2 374.872 2.589 20 10 FFCDLO CN(Cc1ccccc1O)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@H]1CCCO1 ZINC001343156191 1051779281 /nfs/dbraw/zinc/77/92/81/1051779281.db2.gz PTWLKWMTXYWXDR-SJORKVTESA-N 1 2 371.485 2.566 20 10 FFCDLO CN(Cc1ccccc1O)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@H]1CCCO1 ZINC001343156191 1051779294 /nfs/dbraw/zinc/77/92/94/1051779294.db2.gz PTWLKWMTXYWXDR-SJORKVTESA-N 1 2 371.485 2.566 20 10 FFCDLO Brc1cc(C[NH2+]Cc2nnc[nH]2)ccc1N1CCCCC1 ZINC001308558731 1052469893 /nfs/dbraw/zinc/46/98/93/1052469893.db2.gz OIPLZEDZUORNCG-UHFFFAOYSA-N 1 2 350.264 2.847 20 10 FFCDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)oc1C ZINC001308906735 1052517178 /nfs/dbraw/zinc/51/71/78/1052517178.db2.gz KBHLJMUQAOYGRR-UHFFFAOYSA-N 1 2 374.437 2.714 20 10 FFCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000847363320 1055603116 /nfs/dbraw/zinc/60/31/16/1055603116.db2.gz XQNWHOOJTLBNAL-RRFJBIMHSA-N 1 2 374.460 2.657 20 10 FFCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000847363320 1055603120 /nfs/dbraw/zinc/60/31/20/1055603120.db2.gz XQNWHOOJTLBNAL-RRFJBIMHSA-N 1 2 374.460 2.657 20 10 FFCDLO CN(C)c1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1F ZINC001544308561 1071626258 /nfs/dbraw/zinc/62/62/58/1071626258.db2.gz MUTIKGXXSBBDGQ-UHFFFAOYSA-N 1 2 366.440 2.995 20 10 FFCDLO CNc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc[nH+]1 ZINC001521342472 1060549131 /nfs/dbraw/zinc/54/91/31/1060549131.db2.gz IULZGYFSQRXRLA-KRWDZBQOSA-N 1 2 370.453 2.720 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001471335000 1064644137 /nfs/dbraw/zinc/64/41/37/1064644137.db2.gz ZZVQXPFJRTXIEJ-HNNXBMFYSA-N 1 2 372.856 2.804 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001471335000 1064644144 /nfs/dbraw/zinc/64/41/44/1064644144.db2.gz ZZVQXPFJRTXIEJ-HNNXBMFYSA-N 1 2 372.856 2.804 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC001585786881 1079500560 /nfs/dbraw/zinc/50/05/60/1079500560.db2.gz IFLNPCFOCHRGMG-OAQYLSRUSA-N 1 2 367.493 2.960 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC001585786881 1079500563 /nfs/dbraw/zinc/50/05/63/1079500563.db2.gz IFLNPCFOCHRGMG-OAQYLSRUSA-N 1 2 367.493 2.960 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3nnc(N)o3)CC2)c1O ZINC001559959962 1076207744 /nfs/dbraw/zinc/20/77/44/1076207744.db2.gz LXOSRWOGQZFBIH-UHFFFAOYSA-N 1 2 350.806 2.593 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@H](O)C1 ZINC001560565269 1076280341 /nfs/dbraw/zinc/28/03/41/1076280341.db2.gz YGTBEYUWISRPLB-ZIAGYGMSSA-N 1 2 374.840 2.645 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589964346 1080907310 /nfs/dbraw/zinc/90/73/10/1080907310.db2.gz QTXLTIPUJVOJPF-QWHCGFSZSA-N 1 2 351.410 2.789 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589964344 1080908074 /nfs/dbraw/zinc/90/80/74/1080908074.db2.gz QTXLTIPUJVOJPF-CHWSQXEVSA-N 1 2 351.410 2.789 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nc(CCOC)no2)cc1F ZINC000093587201 508150089 /nfs/dbraw/zinc/15/00/89/508150089.db2.gz BHEBAIHJXPDMOD-UHFFFAOYSA-N 1 2 350.438 2.876 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc(CCOC)no2)cc1F ZINC000093587201 508150091 /nfs/dbraw/zinc/15/00/91/508150091.db2.gz BHEBAIHJXPDMOD-UHFFFAOYSA-N 1 2 350.438 2.876 20 10 FFCDLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000120057285 508918670 /nfs/dbraw/zinc/91/86/70/508918670.db2.gz NSXHKDQCGXKWHE-CYBMUJFWSA-N 1 2 364.423 2.561 20 10 FFCDLO CN1CCCc2cc(CNC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc21 ZINC000263977420 509260701 /nfs/dbraw/zinc/26/07/01/509260701.db2.gz ZRKJTYQMUCZEQV-KRWDZBQOSA-N 1 2 353.470 2.881 20 10 FFCDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000184703091 510473560 /nfs/dbraw/zinc/47/35/60/510473560.db2.gz WGVOSELQIGMMGZ-GJZGRUSLSA-N 1 2 367.829 2.972 20 10 FFCDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000184703091 510473562 /nfs/dbraw/zinc/47/35/62/510473562.db2.gz WGVOSELQIGMMGZ-GJZGRUSLSA-N 1 2 367.829 2.972 20 10 FFCDLO COC(=O)CN(Cc1cc(OC)cc[nH+]1)Cc1cc(Cl)ccc1O ZINC000269624956 510488472 /nfs/dbraw/zinc/48/84/72/510488472.db2.gz JJKDMTCWLLCLGO-UHFFFAOYSA-N 1 2 350.802 2.624 20 10 FFCDLO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(Cl)c(Cl)c1O ZINC000282406094 510964242 /nfs/dbraw/zinc/96/42/42/510964242.db2.gz CBTMFLBOGOAQDI-LLVKDONJSA-N 1 2 364.269 2.908 20 10 FFCDLO COc1ccc(C[C@H](CO)C[NH2+]Cc2cccc(Cl)c2O)cc1O ZINC000289433737 511100938 /nfs/dbraw/zinc/10/09/38/511100938.db2.gz LEJIWNCDADQYCS-ZDUSSCGKSA-N 1 2 351.830 2.701 20 10 FFCDLO C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000365240034 511335857 /nfs/dbraw/zinc/33/58/57/511335857.db2.gz GUOXRHZAWCXHGH-XJKSGUPXSA-N 1 2 355.885 2.643 20 10 FFCDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cccc(F)c1O ZINC000272246351 511478610 /nfs/dbraw/zinc/47/86/10/511478610.db2.gz HLZLEIAUJKJCEH-UHFFFAOYSA-N 1 2 367.442 2.836 20 10 FFCDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cccc(F)c1O ZINC000272246351 511478616 /nfs/dbraw/zinc/47/86/16/511478616.db2.gz HLZLEIAUJKJCEH-UHFFFAOYSA-N 1 2 367.442 2.836 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370273445 512852902 /nfs/dbraw/zinc/85/29/02/512852902.db2.gz WHAPMVITQGYNDA-UHFFFAOYSA-N 1 2 351.454 2.875 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370273445 512852906 /nfs/dbraw/zinc/85/29/06/512852906.db2.gz WHAPMVITQGYNDA-UHFFFAOYSA-N 1 2 351.454 2.875 20 10 FFCDLO Cc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)s1 ZINC000028964228 727888674 /nfs/dbraw/zinc/88/86/74/727888674.db2.gz ZTZSJFCSLDHKPL-KAMYIIQDSA-N 1 2 368.549 2.980 20 10 FFCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cncc(O)c1 ZINC000134268447 728729368 /nfs/dbraw/zinc/72/93/68/728729368.db2.gz HAABVVIFGZQHPX-HNNXBMFYSA-N 1 2 361.829 2.541 20 10 FFCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cncc(O)c1 ZINC000134268447 728729369 /nfs/dbraw/zinc/72/93/69/728729369.db2.gz HAABVVIFGZQHPX-HNNXBMFYSA-N 1 2 361.829 2.541 20 10 FFCDLO CC[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cccc(Cl)c1O ZINC000858465913 730426506 /nfs/dbraw/zinc/42/65/06/730426506.db2.gz QGRITCHIIRMCOK-APWZRJJASA-N 1 2 368.905 2.702 20 10 FFCDLO Cc1nsc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)n1 ZINC000862247679 730681434 /nfs/dbraw/zinc/68/14/34/730681434.db2.gz ADCDFXLYOKTJJN-UHFFFAOYSA-N 1 2 369.288 2.637 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1F ZINC000874250004 732030872 /nfs/dbraw/zinc/03/08/72/732030872.db2.gz BRKISAKYKOILLN-CQSZACIVSA-N 1 2 358.339 2.898 20 10 FFCDLO CC[N@H+](Cc1cc(C)cc(Br)c1O)[C@@H](C)CS(C)(=O)=O ZINC000781914749 738672194 /nfs/dbraw/zinc/67/21/94/738672194.db2.gz ZLDGOLJQMREIJT-NSHDSACASA-N 1 2 364.305 2.718 20 10 FFCDLO CC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@@H](C)CS(C)(=O)=O ZINC000781914749 738672198 /nfs/dbraw/zinc/67/21/98/738672198.db2.gz ZLDGOLJQMREIJT-NSHDSACASA-N 1 2 364.305 2.718 20 10 FFCDLO O=C1[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C[C@H]2CCCCN12 ZINC000883140609 733340797 /nfs/dbraw/zinc/34/07/97/733340797.db2.gz ZEERPPHYEUCLSO-DGCLKSJQSA-N 1 2 357.223 2.537 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000883147242 733342347 /nfs/dbraw/zinc/34/23/47/733342347.db2.gz PEFAHISPJXNAQG-JTQLQIEISA-N 1 2 353.182 2.723 20 10 FFCDLO CC(=O)N(C)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893978921 734780906 /nfs/dbraw/zinc/78/09/06/734780906.db2.gz YHMTXTYAEZVHFO-UHFFFAOYSA-N 1 2 359.239 2.737 20 10 FFCDLO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2O)CN1 ZINC000894093573 734800185 /nfs/dbraw/zinc/80/01/85/734800185.db2.gz FTQUYTPXIIAGIV-IINYFYTJSA-N 1 2 371.250 2.784 20 10 FFCDLO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2O)CN1 ZINC000894093573 734800187 /nfs/dbraw/zinc/80/01/87/734800187.db2.gz FTQUYTPXIIAGIV-IINYFYTJSA-N 1 2 371.250 2.784 20 10 FFCDLO COCCOCCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756360702 736324959 /nfs/dbraw/zinc/32/49/59/736324959.db2.gz VJQJSLSXDSQZRP-JTQLQIEISA-N 1 2 350.228 2.998 20 10 FFCDLO C[C@H]([NH2+]CCS(C)(=O)=O)c1cc(Br)cc(Cl)c1O ZINC000756503874 736336914 /nfs/dbraw/zinc/33/69/14/736336914.db2.gz NQSFWLGACASICZ-ZETCQYMHSA-N 1 2 356.669 2.503 20 10 FFCDLO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)cc(F)c1O ZINC000756563246 736343660 /nfs/dbraw/zinc/34/36/60/736343660.db2.gz MKYCPEDGMGJEJP-WDEREUQCSA-N 1 2 362.239 2.998 20 10 FFCDLO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cc(Br)cc(F)c1O ZINC000756761767 736359626 /nfs/dbraw/zinc/35/96/26/736359626.db2.gz VCSHDKDPICMFNM-PKFCDNJMSA-N 1 2 361.255 2.664 20 10 FFCDLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cc(Br)cc(Cl)c1O ZINC000757631155 736414523 /nfs/dbraw/zinc/41/45/23/736414523.db2.gz BXZFHEXQXSYVFP-MRVPVSSYSA-N 1 2 361.667 2.985 20 10 FFCDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000757956077 736439608 /nfs/dbraw/zinc/43/96/08/736439608.db2.gz IGICIQBQORYDJU-UHFFFAOYSA-N 1 2 370.814 2.517 20 10 FFCDLO CS(=O)(=O)N1CC[N@H+](Cc2c(O)cccc2Cl)Cc2ccccc21 ZINC000770380633 737620785 /nfs/dbraw/zinc/62/07/85/737620785.db2.gz PWSFDTOCWHMSJB-UHFFFAOYSA-N 1 2 366.870 2.827 20 10 FFCDLO CS(=O)(=O)N1CC[N@@H+](Cc2c(O)cccc2Cl)Cc2ccccc21 ZINC000770380633 737620788 /nfs/dbraw/zinc/62/07/88/737620788.db2.gz PWSFDTOCWHMSJB-UHFFFAOYSA-N 1 2 366.870 2.827 20 10 FFCDLO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775741738 738120326 /nfs/dbraw/zinc/12/03/26/738120326.db2.gz PZANGJMADPRIBT-MEDUHNTESA-N 1 2 353.825 2.864 20 10 FFCDLO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775741738 738120329 /nfs/dbraw/zinc/12/03/29/738120329.db2.gz PZANGJMADPRIBT-MEDUHNTESA-N 1 2 353.825 2.864 20 10 FFCDLO CC(C)O[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOC1 ZINC000922609356 738173372 /nfs/dbraw/zinc/17/33/72/738173372.db2.gz ITZXKRKIYPVACR-OAHLLOKOSA-N 1 2 362.239 2.968 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+]Cc1nc2c(s1)COCC2 ZINC000922964572 738225601 /nfs/dbraw/zinc/22/56/01/738225601.db2.gz JERGMNXVEXCUGH-UHFFFAOYSA-N 1 2 355.257 2.974 20 10 FFCDLO C[N@H+](CCO)Cc1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1Cl ZINC000808411846 741223480 /nfs/dbraw/zinc/22/34/80/741223480.db2.gz MKHKMOUYUWLSHX-UHFFFAOYSA-N 1 2 365.817 2.990 20 10 FFCDLO C[N@@H+](CCO)Cc1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1Cl ZINC000808411846 741223481 /nfs/dbraw/zinc/22/34/81/741223481.db2.gz MKHKMOUYUWLSHX-UHFFFAOYSA-N 1 2 365.817 2.990 20 10 FFCDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)cn1 ZINC000816485971 742033562 /nfs/dbraw/zinc/03/35/62/742033562.db2.gz ILMBOXGTNYLGHT-UHFFFAOYSA-N 1 2 366.780 2.810 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c1 ZINC000824576820 743110610 /nfs/dbraw/zinc/11/06/10/743110610.db2.gz UMYBXVOPXJSQFD-LBPRGKRZSA-N 1 2 357.248 2.736 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c1 ZINC000824576820 743110615 /nfs/dbraw/zinc/11/06/15/743110615.db2.gz UMYBXVOPXJSQFD-LBPRGKRZSA-N 1 2 357.248 2.736 20 10 FFCDLO Oc1cc(Br)ccc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000826539463 743392781 /nfs/dbraw/zinc/39/27/81/743392781.db2.gz ULDCSUCEYMMBEO-INIZCTEOSA-N 1 2 369.303 2.841 20 10 FFCDLO COc1cc(Br)cc(C[NH+]2CC(C(=O)OC(C)(C)C)C2)c1O ZINC000839132898 746784025 /nfs/dbraw/zinc/78/40/25/746784025.db2.gz HACJFNYQKGRXDO-UHFFFAOYSA-N 1 2 372.259 2.937 20 10 FFCDLO COc1ccc(N(C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000844352822 748009945 /nfs/dbraw/zinc/00/99/45/748009945.db2.gz JSAVPFVCESUPLR-UHFFFAOYSA-N 1 2 359.495 2.537 20 10 FFCDLO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)cc(F)c1O ZINC000846212162 748431778 /nfs/dbraw/zinc/43/17/78/748431778.db2.gz LAFZUYZTXUQCFW-BONVTDFDSA-N 1 2 362.239 2.876 20 10 FFCDLO COCc1n[nH]c(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000850514672 749378788 /nfs/dbraw/zinc/37/87/88/749378788.db2.gz OYOXTEIDOBPNGC-VIFPVBQESA-N 1 2 355.236 2.578 20 10 FFCDLO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000397453647 845868518 /nfs/dbraw/zinc/86/85/18/845868518.db2.gz QUMXSSOOFXGCLX-ZDUSSCGKSA-N 1 2 356.850 2.771 20 10 FFCDLO O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000025474454 971730152 /nfs/dbraw/zinc/73/01/52/971730152.db2.gz GCJCAQNNSKHEAZ-UHFFFAOYSA-N 1 2 374.824 2.732 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC(CC(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000124876029 972375641 /nfs/dbraw/zinc/37/56/41/972375641.db2.gz IWSPKELTJAWYTJ-UHFFFAOYSA-N 1 2 353.466 2.864 20 10 FFCDLO CCCCN1CC2(C[NH+](Cc3c(C)n(C)c4ccccc34)C2)OCC1=O ZINC001276097686 1013458090 /nfs/dbraw/zinc/45/80/90/1013458090.db2.gz WISWEFCHAMOVFA-UHFFFAOYSA-N 1 2 355.482 2.700 20 10 FFCDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)nc1 ZINC000828031624 965942807 /nfs/dbraw/zinc/94/28/07/965942807.db2.gz OHPWQWSLAACLIL-UHFFFAOYSA-N 1 2 373.428 2.728 20 10 FFCDLO CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000895023880 967170835 /nfs/dbraw/zinc/17/08/35/967170835.db2.gz ABOLMRGJGFQGQL-UHFFFAOYSA-N 1 2 372.412 2.522 20 10 FFCDLO CC1CC(n2nnc3c2C[N@H+](Cc2ccc(N4CCOCC4)cc2)CC3)C1 ZINC000877692574 1014688820 /nfs/dbraw/zinc/68/88/20/1014688820.db2.gz JJDVWUUZGWTHAX-UHFFFAOYSA-N 1 2 367.497 2.644 20 10 FFCDLO CC1CC(n2nnc3c2C[N@@H+](Cc2ccc(N4CCOCC4)cc2)CC3)C1 ZINC000877692574 1014688829 /nfs/dbraw/zinc/68/88/29/1014688829.db2.gz JJDVWUUZGWTHAX-UHFFFAOYSA-N 1 2 367.497 2.644 20 10 FFCDLO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142530363 982612352 /nfs/dbraw/zinc/61/23/52/982612352.db2.gz GIFUVEPONSKYEH-GFCCVEGCSA-N 1 2 351.353 2.512 20 10 FFCDLO COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142530363 982612357 /nfs/dbraw/zinc/61/23/57/982612357.db2.gz GIFUVEPONSKYEH-GFCCVEGCSA-N 1 2 351.353 2.512 20 10 FFCDLO COc1c(O)c(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000898167710 982633276 /nfs/dbraw/zinc/63/32/76/982633276.db2.gz MUCZWECMHVGIQM-AWEZNQCLSA-N 1 2 370.409 2.689 20 10 FFCDLO COc1c(O)c(C[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000898167710 982633279 /nfs/dbraw/zinc/63/32/79/982633279.db2.gz MUCZWECMHVGIQM-AWEZNQCLSA-N 1 2 370.409 2.689 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000057548275 984503453 /nfs/dbraw/zinc/50/34/53/984503453.db2.gz IZHYIQWHEVUPRG-QKLQHJQFSA-N 1 2 359.514 2.901 20 10 FFCDLO CN1CCCc2cc(CNC(=O)NCc3nc(C[NH+](C)C)cs3)ccc21 ZINC000915390930 988505504 /nfs/dbraw/zinc/50/55/04/988505504.db2.gz VNPPAKRGMHSJNU-UHFFFAOYSA-N 1 2 373.526 2.587 20 10 FFCDLO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128196779 1015751529 /nfs/dbraw/zinc/75/15/29/1015751529.db2.gz AEUNJBGMDSKGGF-INIZCTEOSA-N 1 2 366.465 2.744 20 10 FFCDLO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128197060 1015750840 /nfs/dbraw/zinc/75/08/40/1015750840.db2.gz AEUNJBGMDSKGGF-MRXNPFEDSA-N 1 2 366.465 2.744 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnnn3-c3ccccc3)CC2)cc1F ZINC000808732008 994246929 /nfs/dbraw/zinc/24/69/29/994246929.db2.gz IZUYEDLMVIEITD-UHFFFAOYSA-N 1 2 367.428 2.737 20 10 FFCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC000809567346 994539776 /nfs/dbraw/zinc/53/97/76/994539776.db2.gz BJRWZNSFLJIEFU-NRFANRHFSA-N 1 2 366.461 2.623 20 10 FFCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC000809567346 994539788 /nfs/dbraw/zinc/53/97/88/994539788.db2.gz BJRWZNSFLJIEFU-NRFANRHFSA-N 1 2 366.461 2.623 20 10 FFCDLO CC[NH+]1CCN(c2ccc(CNc3ncnc4[nH]ccc43)cc2F)CC1 ZINC000730108026 996835473 /nfs/dbraw/zinc/83/54/73/996835473.db2.gz CAWXPCUGZCSRAJ-UHFFFAOYSA-N 1 2 354.433 2.851 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc4c(C)cccn34)CC2)c(OC)c1 ZINC001136966321 997152769 /nfs/dbraw/zinc/15/27/69/997152769.db2.gz ZISKLTPXZCBWEG-UHFFFAOYSA-N 1 2 366.465 2.982 20 10 FFCDLO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000844257707 997764221 /nfs/dbraw/zinc/76/42/21/997764221.db2.gz PLJAUZOYRHFCFN-UHFFFAOYSA-N 1 2 361.486 2.729 20 10 FFCDLO Oc1cc(F)c(Br)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001144299938 998286527 /nfs/dbraw/zinc/28/65/27/998286527.db2.gz MWHGWBXNWVKKIJ-CYBMUJFWSA-N 1 2 373.266 2.590 20 10 FFCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000768249586 1000200638 /nfs/dbraw/zinc/20/06/38/1000200638.db2.gz UKRGHENTIHIYNF-UHFFFAOYSA-N 1 2 356.422 2.855 20 10 FFCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(F)c(F)c3)C1)[C@@H](O)CO2 ZINC000768448546 1000250479 /nfs/dbraw/zinc/25/04/79/1000250479.db2.gz CVLRBNAREVSWRX-HKUYNNGSSA-N 1 2 363.360 2.670 20 10 FFCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(F)c(F)c3)C1)[C@@H](O)CO2 ZINC000768448546 1000250483 /nfs/dbraw/zinc/25/04/83/1000250483.db2.gz CVLRBNAREVSWRX-HKUYNNGSSA-N 1 2 363.360 2.670 20 10 FFCDLO CCCCNc1cc(NCc2ccc(N3CCOCC3)cc2)nc(N)[nH+]1 ZINC000786581880 1001601275 /nfs/dbraw/zinc/60/12/75/1001601275.db2.gz DTPNUUJRSRKLHI-UHFFFAOYSA-N 1 2 356.474 2.720 20 10 FFCDLO CCCCNc1cc(NCc2ccc(N3CCOCC3)cc2)[nH+]c(N)n1 ZINC000786581880 1001601280 /nfs/dbraw/zinc/60/12/80/1001601280.db2.gz DTPNUUJRSRKLHI-UHFFFAOYSA-N 1 2 356.474 2.720 20 10 FFCDLO Nc1ccc(CCC(=O)NCc2cc(Cl)c3cccnc3c2O)c[nH+]1 ZINC001183936935 1002433014 /nfs/dbraw/zinc/43/30/14/1002433014.db2.gz XHROCLXQGGXORO-UHFFFAOYSA-N 1 2 356.813 2.820 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775052533 1003433510 /nfs/dbraw/zinc/43/35/10/1003433510.db2.gz UYWJJGMDBBAMGH-MRXNPFEDSA-N 1 2 358.394 2.753 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775052533 1003433517 /nfs/dbraw/zinc/43/35/17/1003433517.db2.gz UYWJJGMDBBAMGH-MRXNPFEDSA-N 1 2 358.394 2.753 20 10 FFCDLO CC(C)COC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC001199721785 1005012982 /nfs/dbraw/zinc/01/29/82/1005012982.db2.gz LDNLRTFLIZQEPH-GFCCVEGCSA-N 1 2 366.683 2.931 20 10 FFCDLO C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])c2ccccc2)CC1 ZINC000882968559 1006581636 /nfs/dbraw/zinc/58/16/36/1006581636.db2.gz RRGRLMIXUDQCMC-LJQANCHMSA-N 1 2 361.436 2.749 20 10 FFCDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000777205900 1009494954 /nfs/dbraw/zinc/49/49/54/1009494954.db2.gz JTCYZLQERSXWEP-HNNXBMFYSA-N 1 2 374.460 2.659 20 10 FFCDLO Oc1cccc(Br)c1C[NH2+]Cc1nc(-c2ccccn2)n[nH]1 ZINC001181776676 1010241808 /nfs/dbraw/zinc/24/18/08/1010241808.db2.gz UJEIZZAODFZPGU-UHFFFAOYSA-N 1 2 360.215 2.625 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(F)cc(F)c1O ZINC000866492112 1011003044 /nfs/dbraw/zinc/00/30/44/1011003044.db2.gz DLLYDBIYKYWPER-LKTVYLICSA-N 1 2 372.412 2.691 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)cc1F ZINC000122106146 1011240495 /nfs/dbraw/zinc/24/04/95/1011240495.db2.gz LSDPBJPERZAGNS-UHFFFAOYSA-N 1 2 363.477 2.747 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708243 1011986096 /nfs/dbraw/zinc/98/60/96/1011986096.db2.gz VGMMTCZHACFDDY-HOTGVXAUSA-N 1 2 361.825 2.592 20 10 FFCDLO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001275229935 1012112126 /nfs/dbraw/zinc/11/21/26/1012112126.db2.gz SNZHQBOQEXMKHN-HZPDHXFCSA-N 1 2 368.424 2.661 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cc(CO)on1 ZINC000924714029 1017441855 /nfs/dbraw/zinc/44/18/55/1017441855.db2.gz HQTQLEXVTPJRDE-MJBXVCDLSA-N 1 2 363.433 2.770 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNc3nc(C(C)=O)c(C)s3)CC2)cc1 ZINC000827486253 1018235986 /nfs/dbraw/zinc/23/59/86/1018235986.db2.gz GKCVVHZCVWMTDZ-UHFFFAOYSA-N 1 2 374.510 2.897 20 10 FFCDLO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000777669049 1018777948 /nfs/dbraw/zinc/77/79/48/1018777948.db2.gz DBQGLOFHWMTXKF-QGZVFWFLSA-N 1 2 355.486 2.886 20 10 FFCDLO C/C(=C\C(=O)N(Cc1ccco1)Cc1ccccc1O)C[NH+]1CCOCC1 ZINC000901054168 1020793431 /nfs/dbraw/zinc/79/34/31/1020793431.db2.gz BXJSRIWPYBLQCQ-GHRIWEEISA-N 1 2 370.449 2.793 20 10 FFCDLO NC(=O)c1coc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000778201493 1021099539 /nfs/dbraw/zinc/09/95/39/1021099539.db2.gz IYRBUPQWPFEKNG-UHFFFAOYSA-N 1 2 358.398 2.567 20 10 FFCDLO COc1ccc(O)c(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000155989820 1022311596 /nfs/dbraw/zinc/31/15/96/1022311596.db2.gz RJYUPEGMWCXZNP-UHFFFAOYSA-N 1 2 371.462 2.907 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000750746852 1022463169 /nfs/dbraw/zinc/46/31/69/1022463169.db2.gz NAGXFMYMVPXHAG-HNNXBMFYSA-N 1 2 359.445 2.684 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000750746852 1022463173 /nfs/dbraw/zinc/46/31/73/1022463173.db2.gz NAGXFMYMVPXHAG-HNNXBMFYSA-N 1 2 359.445 2.684 20 10 FFCDLO COc1cc(C)cc(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c1O ZINC001119513433 1022826616 /nfs/dbraw/zinc/82/66/16/1022826616.db2.gz QYOYNBCHOBRQOI-UHFFFAOYSA-N 1 2 356.401 2.778 20 10 FFCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356984 1024091991 /nfs/dbraw/zinc/09/19/91/1024091991.db2.gz UVQMCHPPSVJLMX-LJQANCHMSA-N 1 2 371.437 2.681 20 10 FFCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356984 1024092003 /nfs/dbraw/zinc/09/20/03/1024092003.db2.gz UVQMCHPPSVJLMX-LJQANCHMSA-N 1 2 371.437 2.681 20 10 FFCDLO COCC1(O)CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000759315517 1024559998 /nfs/dbraw/zinc/55/99/98/1024559998.db2.gz FZJHWJYAEHDEDV-UHFFFAOYSA-N 1 2 356.466 2.750 20 10 FFCDLO Cc1cc(CCNC(=O)NCCc2cn(C)c[nH+]2)c(C)n1-c1ccccc1 ZINC000837404844 1025781073 /nfs/dbraw/zinc/78/10/73/1025781073.db2.gz OCLYDUIKNVXCHW-UHFFFAOYSA-N 1 2 365.481 2.912 20 10 FFCDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839554176 1026730153 /nfs/dbraw/zinc/73/01/53/1026730153.db2.gz ZDXUBOTWXTVRGG-MRXNPFEDSA-N 1 2 353.466 2.652 20 10 FFCDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839554176 1026730165 /nfs/dbraw/zinc/73/01/65/1026730165.db2.gz ZDXUBOTWXTVRGG-MRXNPFEDSA-N 1 2 353.466 2.652 20 10 FFCDLO C[NH+](C)[C@]1(C(=O)NCc2cccc(Cl)c2O)COc2ccccc2C1 ZINC001159041597 1027242314 /nfs/dbraw/zinc/24/23/14/1027242314.db2.gz UABVBJVYRSVBCN-IBGZPJMESA-N 1 2 360.841 2.597 20 10 FFCDLO COc1cnc(OC2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)nc1 ZINC001142530269 1030579767 /nfs/dbraw/zinc/57/97/67/1030579767.db2.gz BJXIFWNNWUEMLA-UHFFFAOYSA-N 1 2 351.353 2.512 20 10 FFCDLO Nc1ccc(Cc2noc(-c3ccccc3C[NH+]3CCOCC3)n2)cc1 ZINC000843161959 1031216537 /nfs/dbraw/zinc/21/65/37/1031216537.db2.gz RSTBCLYLJFQWPH-UHFFFAOYSA-N 1 2 350.422 2.742 20 10 FFCDLO COc1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc(O)c1O ZINC001204344439 1031239869 /nfs/dbraw/zinc/23/98/69/1031239869.db2.gz HJHGLFVUBFKXNI-UHFFFAOYSA-N 1 2 360.429 2.953 20 10 FFCDLO COc1cc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc(O)c1O ZINC001204344439 1031239884 /nfs/dbraw/zinc/23/98/84/1031239884.db2.gz HJHGLFVUBFKXNI-UHFFFAOYSA-N 1 2 360.429 2.953 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc(O)c(O)c(OC)c3)CC2)c(C)c1 ZINC001204348865 1031245584 /nfs/dbraw/zinc/24/55/84/1031245584.db2.gz KBIVRNINSOAYSE-UHFFFAOYSA-N 1 2 358.438 2.746 20 10 FFCDLO Oc1c(F)cccc1C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001138127792 1033811441 /nfs/dbraw/zinc/81/14/41/1033811441.db2.gz QLYCKIIJGHQVLH-UHFFFAOYSA-N 1 2 356.323 2.662 20 10 FFCDLO CC(C)NC(=O)c1noc2c1C[N@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138357184 1034192819 /nfs/dbraw/zinc/19/28/19/1034192819.db2.gz DRSHBYGKDKHAJS-UHFFFAOYSA-N 1 2 368.481 2.754 20 10 FFCDLO CC(C)NC(=O)c1noc2c1C[N@@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138357184 1034192827 /nfs/dbraw/zinc/19/28/27/1034192827.db2.gz DRSHBYGKDKHAJS-UHFFFAOYSA-N 1 2 368.481 2.754 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)C3CCC3)CC2)c(OC)c1 ZINC001138390469 1034225260 /nfs/dbraw/zinc/22/52/60/1034225260.db2.gz YEYUSWFATWUSSX-UHFFFAOYSA-N 1 2 359.514 2.986 20 10 FFCDLO Cc1cnc(O[C@H]2CC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)nc1 ZINC001139129919 1034958284 /nfs/dbraw/zinc/95/82/84/1034958284.db2.gz KGEITHDVHJRHRK-AWEZNQCLSA-N 1 2 367.405 2.559 20 10 FFCDLO Cc1cnc(O[C@H]2CC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)nc1 ZINC001139129919 1034958292 /nfs/dbraw/zinc/95/82/92/1034958292.db2.gz KGEITHDVHJRHRK-AWEZNQCLSA-N 1 2 367.405 2.559 20 10 FFCDLO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c(F)ccc(F)c1O)C2 ZINC001139682126 1035197268 /nfs/dbraw/zinc/19/72/68/1035197268.db2.gz PRRYDAKGHJHNNT-UHFFFAOYSA-N 1 2 350.413 2.723 20 10 FFCDLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1c(F)ccc(F)c1O)C2 ZINC001139682126 1035197271 /nfs/dbraw/zinc/19/72/71/1035197271.db2.gz PRRYDAKGHJHNNT-UHFFFAOYSA-N 1 2 350.413 2.723 20 10 FFCDLO Cc1ccnc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)n1 ZINC001140102670 1035342787 /nfs/dbraw/zinc/34/27/87/1035342787.db2.gz VYMDXRYFQROOEQ-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140338923 1035443897 /nfs/dbraw/zinc/44/38/97/1035443897.db2.gz BCOIJTZWCCDFRK-IBGZPJMESA-N 1 2 366.889 2.895 20 10 FFCDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1c(O)cccc1Cl)CCO2 ZINC001140338923 1035443901 /nfs/dbraw/zinc/44/39/01/1035443901.db2.gz BCOIJTZWCCDFRK-IBGZPJMESA-N 1 2 366.889 2.895 20 10 FFCDLO CN(C)c1ccc(/C=C/C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000835026176 1035488997 /nfs/dbraw/zinc/48/89/97/1035488997.db2.gz ROJRKDMDGLBMCE-AATRIKPKSA-N 1 2 350.466 2.619 20 10 FFCDLO O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581064 1035661191 /nfs/dbraw/zinc/66/11/91/1035661191.db2.gz PKNTYUIWSUCKEM-OXQOHEQNSA-N 1 2 358.388 2.776 20 10 FFCDLO O=C1NC[C@H](c2ccccc2)[C@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581064 1035661195 /nfs/dbraw/zinc/66/11/95/1035661195.db2.gz PKNTYUIWSUCKEM-OXQOHEQNSA-N 1 2 358.388 2.776 20 10 FFCDLO Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H](C)C[NH+](C)C)c1C2=O ZINC001227995034 1035859965 /nfs/dbraw/zinc/85/99/65/1035859965.db2.gz QZLHNVNPRDVAKO-LLVKDONJSA-N 1 2 355.390 2.511 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c(O)c1 ZINC001232836005 1036087924 /nfs/dbraw/zinc/08/79/24/1036087924.db2.gz JQRDJLTXRUZYEQ-HNNXBMFYSA-N 1 2 367.465 2.849 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c(O)c1 ZINC001232836005 1036087939 /nfs/dbraw/zinc/08/79/39/1036087939.db2.gz JQRDJLTXRUZYEQ-HNNXBMFYSA-N 1 2 367.465 2.849 20 10 FFCDLO CC(C)[N@@H+]1CC[C@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)C1 ZINC001228520096 1036157528 /nfs/dbraw/zinc/15/75/28/1036157528.db2.gz VKQHKPWXRZLSTP-AWEZNQCLSA-N 1 2 373.405 2.602 20 10 FFCDLO CC(C)[N@H+]1CC[C@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)C1 ZINC001228520096 1036157534 /nfs/dbraw/zinc/15/75/34/1036157534.db2.gz VKQHKPWXRZLSTP-AWEZNQCLSA-N 1 2 373.405 2.602 20 10 FFCDLO COc1ccc(C(=O)C2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)cc1 ZINC001233011579 1036245436 /nfs/dbraw/zinc/24/54/36/1036245436.db2.gz DPANVVMFXFOQML-UHFFFAOYSA-N 1 2 357.406 2.907 20 10 FFCDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC001233015204 1036252643 /nfs/dbraw/zinc/25/26/43/1036252643.db2.gz ILWBFOFRIXSBTF-HOTGVXAUSA-N 1 2 357.406 2.930 20 10 FFCDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC001233015204 1036252659 /nfs/dbraw/zinc/25/26/59/1036252659.db2.gz ILWBFOFRIXSBTF-HOTGVXAUSA-N 1 2 357.406 2.930 20 10 FFCDLO O=C1CCC[C@]2(CCC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)N1 ZINC001233029868 1036267418 /nfs/dbraw/zinc/26/74/18/1036267418.db2.gz RECYVKXZNTUYRV-MRXNPFEDSA-N 1 2 371.250 2.929 20 10 FFCDLO O=C1CCC[C@]2(CCC[N@H+](Cc3c(O)cc(Br)cc3F)C2)N1 ZINC001233029868 1036267435 /nfs/dbraw/zinc/26/74/35/1036267435.db2.gz RECYVKXZNTUYRV-MRXNPFEDSA-N 1 2 371.250 2.929 20 10 FFCDLO Oc1ccc(F)c(F)c1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001233333363 1036538534 /nfs/dbraw/zinc/53/85/34/1036538534.db2.gz SVOWUPRSIKQZEM-ALKREAHSSA-N 1 2 362.376 2.876 20 10 FFCDLO Oc1ccc(F)c(F)c1C[N@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001233333363 1036538543 /nfs/dbraw/zinc/53/85/43/1036538543.db2.gz SVOWUPRSIKQZEM-ALKREAHSSA-N 1 2 362.376 2.876 20 10 FFCDLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(O)ccc(F)c1F ZINC001233334200 1036541363 /nfs/dbraw/zinc/54/13/63/1036541363.db2.gz XLIVJAXXLAMBRG-KGLIPLIRSA-N 1 2 365.405 2.616 20 10 FFCDLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001233334200 1036541369 /nfs/dbraw/zinc/54/13/69/1036541369.db2.gz XLIVJAXXLAMBRG-KGLIPLIRSA-N 1 2 365.405 2.616 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001235298734 1037459351 /nfs/dbraw/zinc/45/93/51/1037459351.db2.gz TUPDBYOTSJSSPV-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001235298734 1037459357 /nfs/dbraw/zinc/45/93/57/1037459357.db2.gz TUPDBYOTSJSSPV-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1c(Br)cc(F)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001235302074 1037461335 /nfs/dbraw/zinc/46/13/35/1037461335.db2.gz LUCMGQPIKMUHNC-CQSZACIVSA-N 1 2 373.266 2.590 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(C)cnc3F)CC2)cc1 ZINC001235347001 1037492588 /nfs/dbraw/zinc/49/25/88/1037492588.db2.gz ZAZDTJBCHLBAFW-UHFFFAOYSA-N 1 2 359.445 2.877 20 10 FFCDLO CCCCN1C[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277506657 1037534456 /nfs/dbraw/zinc/53/44/56/1037534456.db2.gz JHBWEYXIKFZKJH-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO CCCCN1C[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001277506657 1037534462 /nfs/dbraw/zinc/53/44/62/1037534462.db2.gz JHBWEYXIKFZKJH-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001231851460 1037949068 /nfs/dbraw/zinc/94/90/68/1037949068.db2.gz CIJVFYJAWCQDST-UHFFFAOYSA-N 1 2 367.453 2.552 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001231851460 1037949079 /nfs/dbraw/zinc/94/90/79/1037949079.db2.gz CIJVFYJAWCQDST-UHFFFAOYSA-N 1 2 367.453 2.552 20 10 FFCDLO CO[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001231912912 1038011836 /nfs/dbraw/zinc/01/18/36/1038011836.db2.gz AIHIQGFJQCLUEL-UONOGXRCSA-N 1 2 356.850 2.770 20 10 FFCDLO CO[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001231912912 1038011816 /nfs/dbraw/zinc/01/18/16/1038011816.db2.gz AIHIQGFJQCLUEL-UONOGXRCSA-N 1 2 356.850 2.770 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1 ZINC001236663673 1038179093 /nfs/dbraw/zinc/17/90/93/1038179093.db2.gz OXIPRIWXYGCRGO-JSGCOSHPSA-N 1 2 350.203 2.708 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1 ZINC001236663673 1038179102 /nfs/dbraw/zinc/17/91/02/1038179102.db2.gz OXIPRIWXYGCRGO-JSGCOSHPSA-N 1 2 350.203 2.708 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023142 1038330843 /nfs/dbraw/zinc/33/08/43/1038330843.db2.gz LXQZQSSEJIOKKX-KPZWWZAWSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023142 1038330855 /nfs/dbraw/zinc/33/08/55/1038330855.db2.gz LXQZQSSEJIOKKX-KPZWWZAWSA-N 1 2 370.852 2.787 20 10 FFCDLO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2c(O)ccc(F)c2Cl)C1=O ZINC001278025736 1038344370 /nfs/dbraw/zinc/34/43/70/1038344370.db2.gz ZDLDAZREPXWSSF-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO COCCCN1CC[C@]2(CCC[N@H+]2Cc2c(O)ccc(F)c2Cl)C1=O ZINC001278025736 1038344380 /nfs/dbraw/zinc/34/43/80/1038344380.db2.gz ZDLDAZREPXWSSF-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256782307 1038620065 /nfs/dbraw/zinc/62/00/65/1038620065.db2.gz MHCDXPTVGZTOGZ-ABSDTBQOSA-N 1 2 371.433 2.692 20 10 FFCDLO C[N@@H+]1CCO[C@@]2(CCCN(Cc3cc(Br)c(F)cc3O)C2)C1 ZINC001278391230 1038811952 /nfs/dbraw/zinc/81/19/52/1038811952.db2.gz OEOTUKXGJXEPFJ-INIZCTEOSA-N 1 2 373.266 2.590 20 10 FFCDLO C[N@H+]1CCO[C@@]2(CCCN(Cc3cc(Br)c(F)cc3O)C2)C1 ZINC001278391230 1038811983 /nfs/dbraw/zinc/81/19/83/1038811983.db2.gz OEOTUKXGJXEPFJ-INIZCTEOSA-N 1 2 373.266 2.590 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCSCC2)cc1I ZINC001248461946 1040281050 /nfs/dbraw/zinc/28/10/50/1040281050.db2.gz IEXUMNAQJGSBCN-UHFFFAOYSA-N 1 2 365.236 2.554 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)cc1I ZINC001248462114 1040285189 /nfs/dbraw/zinc/28/51/89/1040285189.db2.gz NRFIUJITFBMJBO-SCZZXKLOSA-N 1 2 365.186 2.795 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@@H](C)[C@@H](F)C2)cc1I ZINC001248462114 1040285196 /nfs/dbraw/zinc/28/51/96/1040285196.db2.gz NRFIUJITFBMJBO-SCZZXKLOSA-N 1 2 365.186 2.795 20 10 FFCDLO COc1cc(O)c(C[N@H+](C)Cc2ccon2)cc1I ZINC001248472018 1040291146 /nfs/dbraw/zinc/29/11/46/1040291146.db2.gz KLYFPEWDWPDQGM-UHFFFAOYSA-N 1 2 374.178 2.625 20 10 FFCDLO COc1cc(O)c(C[N@@H+](C)Cc2ccon2)cc1I ZINC001248472018 1040291159 /nfs/dbraw/zinc/29/11/59/1040291159.db2.gz KLYFPEWDWPDQGM-UHFFFAOYSA-N 1 2 374.178 2.625 20 10 FFCDLO CCOC(=O)c1cc2n(n1)C[C@@H](C)[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC001262056165 1041534506 /nfs/dbraw/zinc/53/45/06/1041534506.db2.gz GVKFYZBWVPJBDT-CYBMUJFWSA-N 1 2 366.421 2.718 20 10 FFCDLO CCOC(=O)c1cc2n(n1)C[C@@H](C)[N@@H+](Cc1c(O)ccc3ccncc31)C2 ZINC001262056165 1041534513 /nfs/dbraw/zinc/53/45/13/1041534513.db2.gz GVKFYZBWVPJBDT-CYBMUJFWSA-N 1 2 366.421 2.718 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)cc1Br ZINC001237683602 1043309628 /nfs/dbraw/zinc/30/96/28/1043309628.db2.gz CWXQOCQWLNORAP-CHWSQXEVSA-N 1 2 369.303 2.757 20 10 FFCDLO Cc1cc(O)c(CN2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)cc1Br ZINC001237683602 1043309634 /nfs/dbraw/zinc/30/96/34/1043309634.db2.gz CWXQOCQWLNORAP-CHWSQXEVSA-N 1 2 369.303 2.757 20 10 FFCDLO COc1cc(O)c(CN2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)c(Cl)c1 ZINC001279665868 1043430177 /nfs/dbraw/zinc/43/01/77/1043430177.db2.gz RKRXYUZLZAEQJY-HKUYNNGSSA-N 1 2 366.889 2.882 20 10 FFCDLO COc1cc(O)c(CN2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)c(Cl)c1 ZINC001279665868 1043430181 /nfs/dbraw/zinc/43/01/81/1043430181.db2.gz RKRXYUZLZAEQJY-HKUYNNGSSA-N 1 2 366.889 2.882 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c(Cl)c1 ZINC001279665868 1043430185 /nfs/dbraw/zinc/43/01/85/1043430185.db2.gz RKRXYUZLZAEQJY-HKUYNNGSSA-N 1 2 366.889 2.882 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c(Cl)c1 ZINC001279665868 1043430189 /nfs/dbraw/zinc/43/01/89/1043430189.db2.gz RKRXYUZLZAEQJY-HKUYNNGSSA-N 1 2 366.889 2.882 20 10 FFCDLO O=C(c1cccc(O)c1)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319815616 1045277279 /nfs/dbraw/zinc/27/72/79/1045277279.db2.gz YPUBBZXQKMRGAN-UHFFFAOYSA-N 1 2 365.477 2.950 20 10 FFCDLO C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001325700978 1046615677 /nfs/dbraw/zinc/61/56/77/1046615677.db2.gz LEBXMISWGGHGTC-DFNIBXOVSA-N 1 2 360.521 2.635 20 10 FFCDLO C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001325700978 1046615682 /nfs/dbraw/zinc/61/56/82/1046615682.db2.gz LEBXMISWGGHGTC-DFNIBXOVSA-N 1 2 360.521 2.635 20 10 FFCDLO C[NH+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001325700978 1046615688 /nfs/dbraw/zinc/61/56/88/1046615688.db2.gz LEBXMISWGGHGTC-DFNIBXOVSA-N 1 2 360.521 2.635 20 10 FFCDLO C[NH+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001325700978 1046615697 /nfs/dbraw/zinc/61/56/97/1046615697.db2.gz LEBXMISWGGHGTC-DFNIBXOVSA-N 1 2 360.521 2.635 20 10 FFCDLO CN1CCN(c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2F)CC1 ZINC001336912034 1054333318 /nfs/dbraw/zinc/33/33/18/1054333318.db2.gz QONGFLLLFUOBHD-UHFFFAOYSA-N 1 2 368.500 2.900 20 10 FFCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000847407601 1055723011 /nfs/dbraw/zinc/72/30/11/1055723011.db2.gz LRIRPYWLQDDOIW-JXFKEZNVSA-N 1 2 370.497 2.862 20 10 FFCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000847407601 1055723024 /nfs/dbraw/zinc/72/30/24/1055723024.db2.gz LRIRPYWLQDDOIW-JXFKEZNVSA-N 1 2 370.497 2.862 20 10 FFCDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000763410379 1061246577 /nfs/dbraw/zinc/24/65/77/1061246577.db2.gz KJTAXDCIXFUHNS-AWEZNQCLSA-N 1 2 357.410 2.988 20 10 FFCDLO CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)c1 ZINC001462422665 1061616274 /nfs/dbraw/zinc/61/62/74/1061616274.db2.gz VXKZSOAVWDIXKX-UKRRQHHQSA-N 1 2 365.417 2.923 20 10 FFCDLO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)c1 ZINC001462422665 1061616283 /nfs/dbraw/zinc/61/62/83/1061616283.db2.gz VXKZSOAVWDIXKX-UKRRQHHQSA-N 1 2 365.417 2.923 20 10 FFCDLO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)CCC1 ZINC001462610944 1061691147 /nfs/dbraw/zinc/69/11/47/1061691147.db2.gz IJJXNLXOAITSSC-SFHVURJKSA-N 1 2 371.836 2.855 20 10 FFCDLO COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)CCC1 ZINC001462610944 1061691155 /nfs/dbraw/zinc/69/11/55/1061691155.db2.gz IJJXNLXOAITSSC-SFHVURJKSA-N 1 2 371.836 2.855 20 10 FFCDLO CN(c1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC001442450420 1063535159 /nfs/dbraw/zinc/53/51/59/1063535159.db2.gz QHOZBGNZOHYEDW-VMPITWQZSA-N 1 2 371.525 2.960 20 10 FFCDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC001560693475 1076291894 /nfs/dbraw/zinc/29/18/94/1076291894.db2.gz JDZKQBNGXPGGHP-RKDXNWHRSA-N 1 2 361.667 2.894 20 10 FFCDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC001560693475 1076291896 /nfs/dbraw/zinc/29/18/96/1076291896.db2.gz JDZKQBNGXPGGHP-RKDXNWHRSA-N 1 2 361.667 2.894 20 10 FFCDLO C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc(-c2nn[nH]n2)c1O ZINC001589960953 1080904617 /nfs/dbraw/zinc/90/46/17/1080904617.db2.gz LHPRKQCAEMRBFJ-GFCCVEGCSA-N 1 2 363.425 2.732 20 10 FFCDLO CN(Cc1ccccc1O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000046802169 507197197 /nfs/dbraw/zinc/19/71/97/507197197.db2.gz HLKILEVMPCJQAH-LJQANCHMSA-N 1 2 369.465 2.607 20 10 FFCDLO Nc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000168590633 509648482 /nfs/dbraw/zinc/64/84/82/509648482.db2.gz ZYULACBEKDYYOZ-INIZCTEOSA-N 1 2 359.420 2.870 20 10 FFCDLO Nc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000168590633 509648484 /nfs/dbraw/zinc/64/84/84/509648484.db2.gz ZYULACBEKDYYOZ-INIZCTEOSA-N 1 2 359.420 2.870 20 10 FFCDLO COc1ccc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000242790374 509848015 /nfs/dbraw/zinc/84/80/15/509848015.db2.gz DZHZVAKERRWSEP-UHFFFAOYSA-N 1 2 353.470 2.802 20 10 FFCDLO COc1ccc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000242790374 509848022 /nfs/dbraw/zinc/84/80/22/509848022.db2.gz DZHZVAKERRWSEP-UHFFFAOYSA-N 1 2 353.470 2.802 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3nccc(OC)c3OC)CC2)cc1F ZINC000190672065 510274978 /nfs/dbraw/zinc/27/49/78/510274978.db2.gz NJOPTYRJLWBYND-UHFFFAOYSA-N 1 2 361.417 2.569 20 10 FFCDLO COc1ccc(N2CCN(Cc3[nH+]ccc(OC)c3OC)CC2)cc1F ZINC000190672065 510274986 /nfs/dbraw/zinc/27/49/86/510274986.db2.gz NJOPTYRJLWBYND-UHFFFAOYSA-N 1 2 361.417 2.569 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1O ZINC000187800870 510444509 /nfs/dbraw/zinc/44/45/09/510444509.db2.gz PJZUSPOQENYBDL-GZMMTYOYSA-N 1 2 352.303 2.874 20 10 FFCDLO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(F)c(F)c3O)C2=O)n(C)n1 ZINC000187863665 510475626 /nfs/dbraw/zinc/47/56/26/510475626.db2.gz SESRUTHAUXTJHL-BXUZGUMPSA-N 1 2 364.396 2.559 20 10 FFCDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)oc1C ZINC000278159594 510983735 /nfs/dbraw/zinc/98/37/35/510983735.db2.gz DGNULKWPJUXIJA-UHFFFAOYSA-N 1 2 364.354 2.629 20 10 FFCDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)oc1C ZINC000278159594 510983738 /nfs/dbraw/zinc/98/37/38/510983738.db2.gz DGNULKWPJUXIJA-UHFFFAOYSA-N 1 2 364.354 2.629 20 10 FFCDLO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000283001586 511195124 /nfs/dbraw/zinc/19/51/24/511195124.db2.gz KURIBEOGXGJXEP-HNNXBMFYSA-N 1 2 360.841 2.815 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273391079 511524868 /nfs/dbraw/zinc/52/48/68/511524868.db2.gz KREFCONVZLMBOB-LBPRGKRZSA-N 1 2 364.423 2.696 20 10 FFCDLO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273394984 511525121 /nfs/dbraw/zinc/52/51/21/511525121.db2.gz LSGCOJJBQZABNZ-CYBMUJFWSA-N 1 2 373.409 2.666 20 10 FFCDLO COc1ccc(N2CCCN(c3nc(C(C)C)[nH+]c(N(C)C)n3)CC2)cc1 ZINC000302017454 511704897 /nfs/dbraw/zinc/70/48/97/511704897.db2.gz ZBZYIWWSCXENEY-UHFFFAOYSA-N 1 2 370.501 2.786 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3cncc(F)c3)CC2)cc(OC)c1OC ZINC000275111214 512044454 /nfs/dbraw/zinc/04/44/54/512044454.db2.gz GMDSNRMNCYMFAW-UHFFFAOYSA-N 1 2 361.417 2.569 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000359995312 512060745 /nfs/dbraw/zinc/06/07/45/512060745.db2.gz CVVZSURYGSISHW-KBPBESRZSA-N 1 2 372.259 2.616 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000359995312 512060750 /nfs/dbraw/zinc/06/07/50/512060750.db2.gz CVVZSURYGSISHW-KBPBESRZSA-N 1 2 372.259 2.616 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366559557 512085794 /nfs/dbraw/zinc/08/57/94/512085794.db2.gz UIWVCSNBNSVTKO-MRXNPFEDSA-N 1 2 359.495 2.702 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000374012754 512620744 /nfs/dbraw/zinc/62/07/44/512620744.db2.gz FZORDWLJABVZGE-NQCMUKECSA-N 1 2 351.418 2.892 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(Br)cc(Cl)c1O ZINC000527958389 518012340 /nfs/dbraw/zinc/01/23/40/518012340.db2.gz VPUJVFOIYLXJTQ-ZEGGKSINSA-N 1 2 364.667 2.999 20 10 FFCDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000153994265 728793585 /nfs/dbraw/zinc/79/35/85/728793585.db2.gz LFDCZUAKZVRMJS-GFCCVEGCSA-N 1 2 357.248 2.865 20 10 FFCDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000153994265 728793586 /nfs/dbraw/zinc/79/35/86/728793586.db2.gz LFDCZUAKZVRMJS-GFCCVEGCSA-N 1 2 357.248 2.865 20 10 FFCDLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000898400118 735356073 /nfs/dbraw/zinc/35/60/73/735356073.db2.gz WRXHVNQVUZZXPE-HSZRJFAPSA-N 1 2 359.923 2.832 20 10 FFCDLO O=C(C1CC1)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000119056787 728587131 /nfs/dbraw/zinc/58/71/31/728587131.db2.gz RPHPJKHLDIIYET-UHFFFAOYSA-N 1 2 353.260 2.599 20 10 FFCDLO O=C(C1CC1)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000119056787 728587133 /nfs/dbraw/zinc/58/71/33/728587133.db2.gz RPHPJKHLDIIYET-UHFFFAOYSA-N 1 2 353.260 2.599 20 10 FFCDLO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(N2CCOCC2)cc1Cl ZINC000779068894 738433748 /nfs/dbraw/zinc/43/37/48/738433748.db2.gz FQCQFYSIEGCCFB-LBPRGKRZSA-N 1 2 363.845 2.719 20 10 FFCDLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000856595181 730346558 /nfs/dbraw/zinc/34/65/58/730346558.db2.gz PSESZXAMRITKGS-KRWDZBQOSA-N 1 2 369.824 2.700 20 10 FFCDLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000856595181 730346561 /nfs/dbraw/zinc/34/65/61/730346561.db2.gz PSESZXAMRITKGS-KRWDZBQOSA-N 1 2 369.824 2.700 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1F ZINC000877789824 732432155 /nfs/dbraw/zinc/43/21/55/732432155.db2.gz CSLYRWMOWJQAPG-CVEARBPZSA-N 1 2 354.491 2.538 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1F ZINC000877789824 732432158 /nfs/dbraw/zinc/43/21/58/732432158.db2.gz CSLYRWMOWJQAPG-CVEARBPZSA-N 1 2 354.491 2.538 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1F ZINC000877789828 732432339 /nfs/dbraw/zinc/43/23/39/732432339.db2.gz CSLYRWMOWJQAPG-HZPDHXFCSA-N 1 2 354.491 2.538 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1F ZINC000877789828 732432343 /nfs/dbraw/zinc/43/23/43/732432343.db2.gz CSLYRWMOWJQAPG-HZPDHXFCSA-N 1 2 354.491 2.538 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)c1 ZINC000781907185 738670988 /nfs/dbraw/zinc/67/09/88/738670988.db2.gz FXNPEJPGLIWGRG-UHFFFAOYSA-N 1 2 364.305 2.718 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+](C)CC(C)(C)S(C)(=O)=O)c1 ZINC000781907185 738670990 /nfs/dbraw/zinc/67/09/90/738670990.db2.gz FXNPEJPGLIWGRG-UHFFFAOYSA-N 1 2 364.305 2.718 20 10 FFCDLO COC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883029000 733323768 /nfs/dbraw/zinc/32/37/68/733323768.db2.gz ARGOBSVSBPXUOP-CYBMUJFWSA-N 1 2 352.656 2.685 20 10 FFCDLO O=C1N[C@H](C2CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)CO1 ZINC000897019203 735192107 /nfs/dbraw/zinc/19/21/07/735192107.db2.gz LQRKUAIXOGGZPY-ZDUSSCGKSA-N 1 2 373.222 2.614 20 10 FFCDLO CC(C)c1nnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000756130651 736309623 /nfs/dbraw/zinc/30/96/23/736309623.db2.gz DSILDOQUTOPJSQ-UHFFFAOYSA-N 1 2 350.463 2.927 20 10 FFCDLO COC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756595003 736345888 /nfs/dbraw/zinc/34/58/88/736345888.db2.gz SSNZBKQITJYIGZ-PSASIEDQSA-N 1 2 352.656 2.856 20 10 FFCDLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775663581 738110276 /nfs/dbraw/zinc/11/02/76/738110276.db2.gz OGYWIASKKRUXPV-NEPJUHHUSA-N 1 2 358.841 2.548 20 10 FFCDLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775663581 738110278 /nfs/dbraw/zinc/11/02/78/738110278.db2.gz OGYWIASKKRUXPV-NEPJUHHUSA-N 1 2 358.841 2.548 20 10 FFCDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775878339 738134821 /nfs/dbraw/zinc/13/48/21/738134821.db2.gz AQXDNHZROVYOTA-LSDHHAIUSA-N 1 2 369.845 2.791 20 10 FFCDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775878339 738134826 /nfs/dbraw/zinc/13/48/26/738134826.db2.gz AQXDNHZROVYOTA-LSDHHAIUSA-N 1 2 369.845 2.791 20 10 FFCDLO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776174453 738167922 /nfs/dbraw/zinc/16/79/22/738167922.db2.gz PAGMCAALJNZVNX-ZDUSSCGKSA-N 1 2 363.820 2.652 20 10 FFCDLO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc(Br)cc(F)c1O ZINC000795830282 740068591 /nfs/dbraw/zinc/06/85/91/740068591.db2.gz VAZSDUWONNHXHV-GARJFASQSA-N 1 2 362.239 2.589 20 10 FFCDLO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)c(F)cc1O ZINC000799727767 740445868 /nfs/dbraw/zinc/44/58/68/740445868.db2.gz YFJWJKJXJPRDHP-YLVJLNSGSA-N 1 2 350.253 2.856 20 10 FFCDLO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cccc(Cl)c1O ZINC000840781115 747181937 /nfs/dbraw/zinc/18/19/37/747181937.db2.gz QVHMMKKLALDYFV-QGZVFWFLSA-N 1 2 368.905 2.968 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000840953732 747241699 /nfs/dbraw/zinc/24/16/99/747241699.db2.gz XUHGQVHQWBXUQU-UHFFFAOYSA-N 1 2 362.817 2.979 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000840478854 971360415 /nfs/dbraw/zinc/36/04/15/971360415.db2.gz CAWCWNIOXCAHKB-SJLPKXTDSA-N 1 2 369.513 2.925 20 10 FFCDLO O=C1COCC2(C[NH+](Cc3ccc(Cl)cc3O)C2)N1CC1CCCC1 ZINC001275895440 1013154657 /nfs/dbraw/zinc/15/46/57/1013154657.db2.gz JBJGTMMGXJTBOP-UHFFFAOYSA-N 1 2 364.873 2.649 20 10 FFCDLO C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245257 962559801 /nfs/dbraw/zinc/55/98/01/962559801.db2.gz BHEJIGJNKPZDBW-VOBQZIQPSA-N 1 2 369.513 2.561 20 10 FFCDLO COc1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(O)c1OC ZINC000894836955 965849409 /nfs/dbraw/zinc/84/94/09/965849409.db2.gz SVMBODWCXIVSCB-UHFFFAOYSA-N 1 2 360.366 2.581 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1F ZINC000124704116 1013670097 /nfs/dbraw/zinc/67/00/97/1013670097.db2.gz VLHPHCNMKNIURD-UHFFFAOYSA-N 1 2 370.472 2.648 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000796581198 1014407272 /nfs/dbraw/zinc/40/72/72/1014407272.db2.gz VMVYPTYSJYKHIB-XLIONFOSSA-N 1 2 356.466 2.749 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000796581198 1014407276 /nfs/dbraw/zinc/40/72/76/1014407276.db2.gz VMVYPTYSJYKHIB-XLIONFOSSA-N 1 2 356.466 2.749 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)Cc1cccn(C(F)F)c1=O ZINC000877598301 1014640148 /nfs/dbraw/zinc/64/01/48/1014640148.db2.gz DCAQBLZBABJQPC-UHFFFAOYSA-N 1 2 366.364 2.514 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)Cc1cccn(C(F)F)c1=O ZINC000877598301 1014640154 /nfs/dbraw/zinc/64/01/54/1014640154.db2.gz DCAQBLZBABJQPC-UHFFFAOYSA-N 1 2 366.364 2.514 20 10 FFCDLO Cc1cc(C)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)[nH+]1 ZINC000906317380 980618987 /nfs/dbraw/zinc/61/89/87/980618987.db2.gz NKKRSYGGZOYUEB-UHFFFAOYSA-N 1 2 357.429 2.913 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(C)c3F)CC2)cc1 ZINC000760469997 982417940 /nfs/dbraw/zinc/41/79/40/982417940.db2.gz KLZIPRGREBYEGK-UHFFFAOYSA-N 1 2 371.456 2.695 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000912583899 984069431 /nfs/dbraw/zinc/06/94/31/984069431.db2.gz DPADROFTFNMTIW-LJQANCHMSA-N 1 2 362.433 2.907 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913470102 984274642 /nfs/dbraw/zinc/27/46/42/984274642.db2.gz XNFZDXOMUFSZLH-MRXNPFEDSA-N 1 2 369.494 2.676 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000158096255 984769575 /nfs/dbraw/zinc/76/95/75/984769575.db2.gz YLWOMLMEQGMESJ-UHFFFAOYSA-N 1 2 355.457 2.908 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000158096255 984769580 /nfs/dbraw/zinc/76/95/80/984769580.db2.gz YLWOMLMEQGMESJ-UHFFFAOYSA-N 1 2 355.457 2.908 20 10 FFCDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(C2)OCCO3)ccc1N1CCCCC1 ZINC000761215938 984914736 /nfs/dbraw/zinc/91/47/36/984914736.db2.gz WLEWITSLQFOAHL-UHFFFAOYSA-N 1 2 361.442 2.924 20 10 FFCDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC3(C2)OCCO3)ccc1N1CCCCC1 ZINC000761215938 984914749 /nfs/dbraw/zinc/91/47/49/984914749.db2.gz WLEWITSLQFOAHL-UHFFFAOYSA-N 1 2 361.442 2.924 20 10 FFCDLO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)c1 ZINC000179885557 991370038 /nfs/dbraw/zinc/37/00/38/991370038.db2.gz PFBTVSPBTNVFGC-UHFFFAOYSA-N 1 2 362.376 2.637 20 10 FFCDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000179907069 991372544 /nfs/dbraw/zinc/37/25/44/991372544.db2.gz QZDRAWVARXLHBO-CQSZACIVSA-N 1 2 359.445 2.867 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 ZINC000068678594 991492085 /nfs/dbraw/zinc/49/20/85/991492085.db2.gz PZOXKXMYQBATDC-UHFFFAOYSA-N 1 2 357.410 2.934 20 10 FFCDLO C[C@@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)n1cc[nH+]c1 ZINC000844340696 997795310 /nfs/dbraw/zinc/79/53/10/997795310.db2.gz BSSRTFZOZXMZGK-HRCADAONSA-N 1 2 374.460 2.903 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)Cc2ncnn2-c2ccccc2)cc1 ZINC000844400420 997863144 /nfs/dbraw/zinc/86/31/44/997863144.db2.gz BMVXHFSAROOMTB-UHFFFAOYSA-N 1 2 351.454 2.844 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2ncnn2-c2ccccc2)cc1 ZINC000844400420 997863155 /nfs/dbraw/zinc/86/31/55/997863155.db2.gz BMVXHFSAROOMTB-UHFFFAOYSA-N 1 2 351.454 2.844 20 10 FFCDLO CC(=O)N(C)C1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144306438 998301329 /nfs/dbraw/zinc/30/13/29/998301329.db2.gz BROHWRKYZCHRCB-UHFFFAOYSA-N 1 2 359.239 2.737 20 10 FFCDLO Cc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc(C2CC2)[nH+]1 ZINC000734835365 999345694 /nfs/dbraw/zinc/34/56/94/999345694.db2.gz UJRGXMCJWLWYOQ-KRWDZBQOSA-N 1 2 365.481 2.976 20 10 FFCDLO CCc1ccc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000742927651 1000189530 /nfs/dbraw/zinc/18/95/30/1000189530.db2.gz WULOYTVENYSARS-UHFFFAOYSA-N 1 2 373.522 2.871 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC(C)(C)C3CC3)cc12 ZINC001184362272 1002567312 /nfs/dbraw/zinc/56/73/12/1002567312.db2.gz OJYDFQNTUDMUOJ-UHFFFAOYSA-N 1 2 358.438 2.544 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC(C)(C)C3CC3)cc12 ZINC001184362272 1002567322 /nfs/dbraw/zinc/56/73/22/1002567322.db2.gz OJYDFQNTUDMUOJ-UHFFFAOYSA-N 1 2 358.438 2.544 20 10 FFCDLO COCCn1c[nH+]cc1CNC(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186850828 1003436740 /nfs/dbraw/zinc/43/67/40/1003436740.db2.gz YRTLJSSNSFVYEI-UHFFFAOYSA-N 1 2 368.437 2.573 20 10 FFCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NCc1ccccn1 ZINC000111232830 1006360775 /nfs/dbraw/zinc/36/07/75/1006360775.db2.gz RISLZMRJJKXTNM-UHFFFAOYSA-N 1 2 351.406 2.699 20 10 FFCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NCc1ccccn1 ZINC000111232830 1006360786 /nfs/dbraw/zinc/36/07/86/1006360786.db2.gz RISLZMRJJKXTNM-UHFFFAOYSA-N 1 2 351.406 2.699 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCn4c[nH+]cc43)ccc21 ZINC000857984829 1008268406 /nfs/dbraw/zinc/26/84/06/1008268406.db2.gz MEHKKUOHEQGXRM-QGZVFWFLSA-N 1 2 352.438 2.976 20 10 FFCDLO CCN(C)c1ccc(CN2CCC[N@H+](CC(=O)N(CC)CC)CC2)cc1 ZINC000773732777 1008919928 /nfs/dbraw/zinc/91/99/28/1008919928.db2.gz SOJSKYXZOVJLFO-UHFFFAOYSA-N 1 2 360.546 2.519 20 10 FFCDLO CCN(C)c1ccc(CN2CCC[N@@H+](CC(=O)N(CC)CC)CC2)cc1 ZINC000773732777 1008919950 /nfs/dbraw/zinc/91/99/50/1008919950.db2.gz SOJSKYXZOVJLFO-UHFFFAOYSA-N 1 2 360.546 2.519 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1F ZINC000823581984 1009118186 /nfs/dbraw/zinc/11/81/86/1009118186.db2.gz VOWNHYTYHJZZQQ-GOSISDBHSA-N 1 2 365.376 2.769 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1F ZINC000823581984 1009118193 /nfs/dbraw/zinc/11/81/93/1009118193.db2.gz VOWNHYTYHJZZQQ-GOSISDBHSA-N 1 2 365.376 2.769 20 10 FFCDLO Cc1ccc(O)c(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000862760495 1009962662 /nfs/dbraw/zinc/96/26/62/1009962662.db2.gz SJHPDYSPSAAVKP-INIZCTEOSA-N 1 2 371.456 2.667 20 10 FFCDLO O=C(c1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1)N1CCOCC1 ZINC001181125297 1009983689 /nfs/dbraw/zinc/98/36/89/1009983689.db2.gz LHHPMAIHKVTWGB-UHFFFAOYSA-N 1 2 360.841 2.808 20 10 FFCDLO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(N(C)C)cc1 ZINC000773181568 1010243678 /nfs/dbraw/zinc/24/36/78/1010243678.db2.gz ZBQPJQTXLOBWJE-HNNXBMFYSA-N 1 2 355.486 2.888 20 10 FFCDLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)c1ccccc1O ZINC000868952594 1011545732 /nfs/dbraw/zinc/54/57/32/1011545732.db2.gz JWGLLDFPIXAGEC-CQSZACIVSA-N 1 2 372.494 2.901 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cc(CO)on1 ZINC000924714027 1017442133 /nfs/dbraw/zinc/44/21/33/1017442133.db2.gz HQTQLEXVTPJRDE-MGPQQGTHSA-N 1 2 363.433 2.770 20 10 FFCDLO C/C(=C\C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C[NH+]1CCOCC1 ZINC000900293110 1020337196 /nfs/dbraw/zinc/33/71/96/1020337196.db2.gz VJJYDGYAWWOWIW-NBVRZTHBSA-N 1 2 359.514 2.768 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000750747276 1022463277 /nfs/dbraw/zinc/46/32/77/1022463277.db2.gz QRUKMJNPWCCEQE-KRWDZBQOSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000750747276 1022463286 /nfs/dbraw/zinc/46/32/86/1022463286.db2.gz QRUKMJNPWCCEQE-KRWDZBQOSA-N 1 2 355.482 2.853 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392311 1023704182 /nfs/dbraw/zinc/70/41/82/1023704182.db2.gz NJQZXICEZJTHNK-QWHCGFSZSA-N 1 2 358.442 2.909 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c1 ZINC000756866817 1023760957 /nfs/dbraw/zinc/76/09/57/1023760957.db2.gz DTCRXXFQFKUTAY-GFCCVEGCSA-N 1 2 352.394 2.815 20 10 FFCDLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000759098166 1024465678 /nfs/dbraw/zinc/46/56/78/1024465678.db2.gz WDGOKZFYYLIFKF-HXUWFJFHSA-N 1 2 367.493 2.949 20 10 FFCDLO Cc1cc(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)c(C)n1-c1ccccc1 ZINC001137857082 1033225738 /nfs/dbraw/zinc/22/57/38/1033225738.db2.gz ACYVHYZBLDEAHE-UHFFFAOYSA-N 1 2 367.493 2.917 20 10 FFCDLO Cc1cc(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)c(C)n1-c1ccccc1 ZINC001137857082 1033225751 /nfs/dbraw/zinc/22/57/51/1033225751.db2.gz ACYVHYZBLDEAHE-UHFFFAOYSA-N 1 2 367.493 2.917 20 10 FFCDLO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cc(F)c(F)cc4O)C[C@H]3O2)n1 ZINC001142512925 1030562916 /nfs/dbraw/zinc/56/29/16/1030562916.db2.gz PXCIIXJCFSCHPZ-CIISACIHSA-N 1 2 351.353 2.714 20 10 FFCDLO COc1cc(C)nc(OC2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)n1 ZINC001142530167 1030578542 /nfs/dbraw/zinc/57/85/42/1030578542.db2.gz AAMYLGVAPNRULW-UHFFFAOYSA-N 1 2 365.380 2.821 20 10 FFCDLO O=C(c1ccncc1)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328903 1031229171 /nfs/dbraw/zinc/22/91/71/1031229171.db2.gz SFVXGYUJXJASRE-UHFFFAOYSA-N 1 2 350.466 2.640 20 10 FFCDLO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001204423287 1031281647 /nfs/dbraw/zinc/28/16/47/1031281647.db2.gz ZDZZEMVCSRIGFY-HUUCEWRRSA-N 1 2 353.457 2.661 20 10 FFCDLO COC(=O)c1cccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000843430453 1031401038 /nfs/dbraw/zinc/40/10/38/1031401038.db2.gz VQBSINDNPMRALR-UHFFFAOYSA-N 1 2 372.377 2.654 20 10 FFCDLO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000843430453 1031401043 /nfs/dbraw/zinc/40/10/43/1031401043.db2.gz VQBSINDNPMRALR-UHFFFAOYSA-N 1 2 372.377 2.654 20 10 FFCDLO O=C(c1cccs1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000119102685 1034884951 /nfs/dbraw/zinc/88/49/51/1034884951.db2.gz OYBIDLCUCQSOMI-UHFFFAOYSA-N 1 2 371.506 2.543 20 10 FFCDLO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139126820 1034956761 /nfs/dbraw/zinc/95/67/61/1034956761.db2.gz REOBXKSXOFCPCH-HNNXBMFYSA-N 1 2 372.465 2.887 20 10 FFCDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139126820 1034956768 /nfs/dbraw/zinc/95/67/68/1034956768.db2.gz REOBXKSXOFCPCH-HNNXBMFYSA-N 1 2 372.465 2.887 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001139126278 1034956804 /nfs/dbraw/zinc/95/68/04/1034956804.db2.gz DGHNCYXZOKBAGQ-MRXNPFEDSA-N 1 2 357.328 2.554 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001139126278 1034956808 /nfs/dbraw/zinc/95/68/08/1034956808.db2.gz DGHNCYXZOKBAGQ-MRXNPFEDSA-N 1 2 357.328 2.554 20 10 FFCDLO CCOC(=O)C1(F)CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139128397 1034958023 /nfs/dbraw/zinc/95/80/23/1034958023.db2.gz SWZQZSQXYMQQCK-UHFFFAOYSA-N 1 2 363.385 2.674 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001139128880 1034958894 /nfs/dbraw/zinc/95/88/94/1034958894.db2.gz HPCKPHXDSQCIGV-CYBMUJFWSA-N 1 2 359.422 2.971 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001139128880 1034958899 /nfs/dbraw/zinc/95/88/99/1034958899.db2.gz HPCKPHXDSQCIGV-CYBMUJFWSA-N 1 2 359.422 2.971 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001139128972 1034958954 /nfs/dbraw/zinc/95/89/54/1034958954.db2.gz JGDOGBUELGXJCL-UHFFFAOYSA-N 1 2 358.438 2.544 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001139132258 1034960168 /nfs/dbraw/zinc/96/01/68/1034960168.db2.gz VCJCTDFNSBRREJ-UHFFFAOYSA-N 1 2 374.437 2.858 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001139132258 1034960176 /nfs/dbraw/zinc/96/01/76/1034960176.db2.gz VCJCTDFNSBRREJ-UHFFFAOYSA-N 1 2 374.437 2.858 20 10 FFCDLO Cc1cncnc1O[C@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139130259 1034960536 /nfs/dbraw/zinc/96/05/36/1034960536.db2.gz WDZANSLVXDVELH-AWEZNQCLSA-N 1 2 367.405 2.559 20 10 FFCDLO Cc1cncnc1O[C@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139130259 1034960541 /nfs/dbraw/zinc/96/05/41/1034960541.db2.gz WDZANSLVXDVELH-AWEZNQCLSA-N 1 2 367.405 2.559 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001139134173 1034964456 /nfs/dbraw/zinc/96/44/56/1034964456.db2.gz YLHHYNXXMBINPV-OAHLLOKOSA-N 1 2 370.449 2.688 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001139134173 1034964461 /nfs/dbraw/zinc/96/44/61/1034964461.db2.gz YLHHYNXXMBINPV-OAHLLOKOSA-N 1 2 370.449 2.688 20 10 FFCDLO CSc1ncc2c(n1)C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC001140288546 1035419980 /nfs/dbraw/zinc/41/99/80/1035419980.db2.gz VYCZOMPHTXPUDS-UHFFFAOYSA-N 1 2 370.522 2.718 20 10 FFCDLO CSc1ncc2c(n1)C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC001140288546 1035419983 /nfs/dbraw/zinc/41/99/83/1035419983.db2.gz VYCZOMPHTXPUDS-UHFFFAOYSA-N 1 2 370.522 2.718 20 10 FFCDLO Oc1cc(Cl)ccc1C[N@@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001140467540 1035486218 /nfs/dbraw/zinc/48/62/18/1035486218.db2.gz SLOQLGNHSBYJTF-UHFFFAOYSA-N 1 2 362.861 2.970 20 10 FFCDLO Oc1cc(Cl)ccc1C[N@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001140467540 1035486222 /nfs/dbraw/zinc/48/62/22/1035486222.db2.gz SLOQLGNHSBYJTF-UHFFFAOYSA-N 1 2 362.861 2.970 20 10 FFCDLO Cc1cc(C(=O)N2CC[N@H+](C/C=C\c3ccc(N(C)C)cc3)[C@H](C)C2)[nH]n1 ZINC000835075119 1035514497 /nfs/dbraw/zinc/51/44/97/1035514497.db2.gz YWYPPEXXCIRUIR-KEGWNNHHSA-N 1 2 367.497 2.644 20 10 FFCDLO Cc1cc(C(=O)N2CC[N@@H+](C/C=C\c3ccc(N(C)C)cc3)[C@H](C)C2)[nH]n1 ZINC000835075119 1035514505 /nfs/dbraw/zinc/51/45/05/1035514505.db2.gz YWYPPEXXCIRUIR-KEGWNNHHSA-N 1 2 367.497 2.644 20 10 FFCDLO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580934 1035661541 /nfs/dbraw/zinc/66/15/41/1035661541.db2.gz MLWCKMRFFVWUDP-IBGZPJMESA-N 1 2 350.409 2.895 20 10 FFCDLO O=C1N(CC2CC2)CC[C@]12CCC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140580934 1035661555 /nfs/dbraw/zinc/66/15/55/1035661555.db2.gz MLWCKMRFFVWUDP-IBGZPJMESA-N 1 2 350.409 2.895 20 10 FFCDLO NC(=O)c1ccc(OC2CC[NH+](Cc3c(O)cc(F)cc3F)CC2)cc1 ZINC001140584305 1035668660 /nfs/dbraw/zinc/66/86/60/1035668660.db2.gz MQNOGRYOAFBCSW-UHFFFAOYSA-N 1 2 362.376 2.813 20 10 FFCDLO CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277231793 1035671156 /nfs/dbraw/zinc/67/11/56/1035671156.db2.gz GCUVVSDOOBKOSM-LJQANCHMSA-N 1 2 366.889 2.753 20 10 FFCDLO CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277231793 1035671166 /nfs/dbraw/zinc/67/11/66/1035671166.db2.gz GCUVVSDOOBKOSM-LJQANCHMSA-N 1 2 366.889 2.753 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc(C(C)(C)O)nc3)CC2)c(OC)c1 ZINC001232827502 1036080694 /nfs/dbraw/zinc/08/06/94/1036080694.db2.gz GCXINCIGPVXNKW-UHFFFAOYSA-N 1 2 371.481 2.648 20 10 FFCDLO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4cc(O)c(O)c(O)c4)C[C@H]3O2)n1 ZINC001233012807 1036246006 /nfs/dbraw/zinc/24/60/06/1036246006.db2.gz SGUMSNDFWPFFMP-APHBMKBZSA-N 1 2 362.451 2.920 20 10 FFCDLO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4cc(O)c(O)c(O)c4)C[C@H]3O2)n1 ZINC001233012807 1036246020 /nfs/dbraw/zinc/24/60/20/1036246020.db2.gz SGUMSNDFWPFFMP-APHBMKBZSA-N 1 2 362.451 2.920 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001233033871 1036273126 /nfs/dbraw/zinc/27/31/26/1036273126.db2.gz VNWXTOQSZYPVKH-NSHDSACASA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001233033871 1036273144 /nfs/dbraw/zinc/27/31/44/1036273144.db2.gz VNWXTOQSZYPVKH-NSHDSACASA-N 1 2 368.206 2.737 20 10 FFCDLO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1)N1CCCCC1 ZINC001233080654 1036331420 /nfs/dbraw/zinc/33/14/20/1036331420.db2.gz ZHIRNWCRQYOOPT-UHFFFAOYSA-N 1 2 353.413 2.830 20 10 FFCDLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233288417 1036494542 /nfs/dbraw/zinc/49/45/42/1036494542.db2.gz KJGGBIOZCFWMCF-GFCCVEGCSA-N 1 2 351.834 2.529 20 10 FFCDLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233288417 1036494550 /nfs/dbraw/zinc/49/45/50/1036494550.db2.gz KJGGBIOZCFWMCF-GFCCVEGCSA-N 1 2 351.834 2.529 20 10 FFCDLO COC[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418202 1036610281 /nfs/dbraw/zinc/61/02/81/1036610281.db2.gz XMMHPIDAHWMBLU-LBPRGKRZSA-N 1 2 355.360 2.886 20 10 FFCDLO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418202 1036610291 /nfs/dbraw/zinc/61/02/91/1036610291.db2.gz XMMHPIDAHWMBLU-LBPRGKRZSA-N 1 2 355.360 2.886 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001235074460 1037342641 /nfs/dbraw/zinc/34/26/41/1037342641.db2.gz HXCNUBXGZHKEEB-LBPRGKRZSA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001235074460 1037342662 /nfs/dbraw/zinc/34/26/62/1037342662.db2.gz HXCNUBXGZHKEEB-LBPRGKRZSA-N 1 2 368.206 2.737 20 10 FFCDLO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300923 1037462149 /nfs/dbraw/zinc/46/21/49/1037462149.db2.gz AVJLJUIWBOUHOI-ONGXEEELSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235300923 1037462155 /nfs/dbraw/zinc/46/21/55/1037462155.db2.gz AVJLJUIWBOUHOI-ONGXEEELSA-N 1 2 360.223 2.925 20 10 FFCDLO O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001235306162 1037463087 /nfs/dbraw/zinc/46/30/87/1037463087.db2.gz RDRSLWPTLZNMDM-UHFFFAOYSA-N 1 2 367.218 2.995 20 10 FFCDLO O=c1ccc2c([nH]1)CC[N@H+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001235306162 1037463098 /nfs/dbraw/zinc/46/30/98/1037463098.db2.gz RDRSLWPTLZNMDM-UHFFFAOYSA-N 1 2 367.218 2.995 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(F)cc(Br)c3O)CC[C@H]21 ZINC001235306448 1037463259 /nfs/dbraw/zinc/46/32/59/1037463259.db2.gz FQIPEKKVOABUNY-IINYFYTJSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(F)cc(Br)c3O)CC[C@H]21 ZINC001235306448 1037463261 /nfs/dbraw/zinc/46/32/61/1037463261.db2.gz FQIPEKKVOABUNY-IINYFYTJSA-N 1 2 371.250 2.737 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c1 ZINC001277540379 1037717245 /nfs/dbraw/zinc/71/72/45/1037717245.db2.gz KWTFOXFAYLDVEH-INIZCTEOSA-N 1 2 353.260 2.660 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)c1 ZINC001277540379 1037717265 /nfs/dbraw/zinc/71/72/65/1037717265.db2.gz KWTFOXFAYLDVEH-INIZCTEOSA-N 1 2 353.260 2.660 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CC(N3CCN(c4ccccn4)CC3)C2)cc1Cl ZINC001231870402 1037968173 /nfs/dbraw/zinc/96/81/73/1037968173.db2.gz YQBABFAOVPXNQV-UHFFFAOYSA-N 1 2 372.900 2.755 20 10 FFCDLO O=C1[C@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]2CN1Cc1ccncc1 ZINC001231912380 1038008250 /nfs/dbraw/zinc/00/82/50/1038008250.db2.gz ZUXYMFRDXPXIII-HOTGVXAUSA-N 1 2 357.841 2.531 20 10 FFCDLO O=C1[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]2CN1Cc1ccncc1 ZINC001231912380 1038008273 /nfs/dbraw/zinc/00/82/73/1038008273.db2.gz ZUXYMFRDXPXIII-HOTGVXAUSA-N 1 2 357.841 2.531 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)cc1OC ZINC001236756813 1038242220 /nfs/dbraw/zinc/24/22/20/1038242220.db2.gz SNCCIOOPMOGYDC-UHFFFAOYSA-N 1 2 370.449 2.676 20 10 FFCDLO COC(=O)c1cc(F)cc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001236773934 1038256097 /nfs/dbraw/zinc/25/60/97/1038256097.db2.gz NHTUBCOXPXIFPH-UHFFFAOYSA-N 1 2 358.413 2.943 20 10 FFCDLO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4c(O)ccc(F)c4Cl)C[C@H]3O2)n1 ZINC001237124178 1038450385 /nfs/dbraw/zinc/45/03/85/1038450385.db2.gz KIKROEMPYDQXMM-FIXISWKDSA-N 1 2 367.808 2.708 20 10 FFCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001251142138 1038965227 /nfs/dbraw/zinc/96/52/27/1038965227.db2.gz GJJUAYPRJKUCPP-IBGZPJMESA-N 1 2 374.529 2.539 20 10 FFCDLO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC001237624240 1043279885 /nfs/dbraw/zinc/27/98/85/1043279885.db2.gz QQSAHDGRDAYCPA-LBPRGKRZSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC001237624240 1043279890 /nfs/dbraw/zinc/27/98/90/1043279890.db2.gz QQSAHDGRDAYCPA-LBPRGKRZSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c(O)c(OC)c1 ZINC001237675234 1043302825 /nfs/dbraw/zinc/30/28/25/1043302825.db2.gz COLWIMQBUNIKQB-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO COc1cc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c(O)c(OC)c1 ZINC001237676433 1043305521 /nfs/dbraw/zinc/30/55/21/1043305521.db2.gz OBWGOUZPDWZLEM-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO COCCN1CC[C@]2(CCC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001237798924 1043366636 /nfs/dbraw/zinc/36/66/36/1043366636.db2.gz DDENBRBQUHHUHR-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO COCCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001237798924 1043366641 /nfs/dbraw/zinc/36/66/41/1043366641.db2.gz DDENBRBQUHHUHR-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1)N1CCCC1 ZINC001237941141 1043446115 /nfs/dbraw/zinc/44/61/15/1043446115.db2.gz QIPVFUPANNHZGY-CYBMUJFWSA-N 1 2 355.841 2.955 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1)N1CCCC1 ZINC001237941141 1043446120 /nfs/dbraw/zinc/44/61/20/1043446120.db2.gz QIPVFUPANNHZGY-CYBMUJFWSA-N 1 2 355.841 2.955 20 10 FFCDLO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)n1 ZINC001237944818 1043449075 /nfs/dbraw/zinc/44/90/75/1043449075.db2.gz WMZFKHRKKKUEIJ-NSHDSACASA-N 1 2 353.781 2.637 20 10 FFCDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)n1 ZINC001237944818 1043449082 /nfs/dbraw/zinc/44/90/82/1043449082.db2.gz WMZFKHRKKKUEIJ-NSHDSACASA-N 1 2 353.781 2.637 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2onc(C)c2C)c(O)c1 ZINC001279980862 1044028264 /nfs/dbraw/zinc/02/82/64/1044028264.db2.gz RTUCYDXHBWTLTH-KUHUBIRLSA-N 1 2 357.410 2.609 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2onc(C)c2C)c(O)c1 ZINC001279980862 1044028276 /nfs/dbraw/zinc/02/82/76/1044028276.db2.gz RTUCYDXHBWTLTH-KUHUBIRLSA-N 1 2 357.410 2.609 20 10 FFCDLO Cc1ccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2C(=O)NC(C)(C)C)c(O)c1 ZINC001280046016 1044132888 /nfs/dbraw/zinc/13/28/88/1044132888.db2.gz FODGNZWARGBNGL-QGZVFWFLSA-N 1 2 356.470 2.586 20 10 FFCDLO Cc1ccc(C[N@H+]2Cc3ccnn3CC[C@@H]2C(=O)NC(C)(C)C)c(O)c1 ZINC001280046016 1044132892 /nfs/dbraw/zinc/13/28/92/1044132892.db2.gz FODGNZWARGBNGL-QGZVFWFLSA-N 1 2 356.470 2.586 20 10 FFCDLO C[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)n1cc[nH+]c1 ZINC001318167510 1045233455 /nfs/dbraw/zinc/23/34/55/1045233455.db2.gz HRPKESHFUPIWQR-CYBMUJFWSA-N 1 2 364.396 2.831 20 10 FFCDLO O=C(Nc1c2nonc2ccc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001324139430 1045886238 /nfs/dbraw/zinc/88/62/38/1045886238.db2.gz BSKXYAUHSDYVRL-OAHLLOKOSA-N 1 2 372.812 2.716 20 10 FFCDLO O=C(Nc1c2nonc2ccc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001324139430 1045886247 /nfs/dbraw/zinc/88/62/47/1045886247.db2.gz BSKXYAUHSDYVRL-OAHLLOKOSA-N 1 2 372.812 2.716 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3c(C)cccc3F)CC2)cc1 ZINC001332162738 1048276819 /nfs/dbraw/zinc/27/68/19/1048276819.db2.gz XYZCNCVKZXXYEC-UHFFFAOYSA-N 1 2 371.456 2.695 20 10 FFCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848232078 1059430076 /nfs/dbraw/zinc/43/00/76/1059430076.db2.gz VYSVMUWKELIBOB-UHFFFAOYSA-N 1 2 367.405 2.554 20 10 FFCDLO COc1c(N)[nH+]cnc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000848669607 1060426391 /nfs/dbraw/zinc/42/63/91/1060426391.db2.gz GSJQXYBOZVEUEC-LLVKDONJSA-N 1 2 365.384 2.750 20 10 FFCDLO COc1c(N)nc[nH+]c1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000848669607 1060426393 /nfs/dbraw/zinc/42/63/93/1060426393.db2.gz GSJQXYBOZVEUEC-LLVKDONJSA-N 1 2 365.384 2.750 20 10 FFCDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC001471195539 1064597234 /nfs/dbraw/zinc/59/72/34/1064597234.db2.gz ZEHOEXRNLYQEGI-HOTGVXAUSA-N 1 2 371.456 2.919 20 10 FFCDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001546185314 1064601313 /nfs/dbraw/zinc/60/13/13/1064601313.db2.gz PWKYXDJOYNNJSK-UHFFFAOYSA-N 1 2 364.396 2.647 20 10 FFCDLO Cc1nc(NCc2cccc(C(=O)NCc3cccc(O)c3O)c2)cc[nH+]1 ZINC001471642237 1064743390 /nfs/dbraw/zinc/74/33/90/1064743390.db2.gz OXTKJDQWECGTEK-UHFFFAOYSA-N 1 2 364.405 2.738 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001473574416 1065286800 /nfs/dbraw/zinc/28/68/00/1065286800.db2.gz XGKJVQASHWQUQG-HIFRSBDPSA-N 1 2 361.360 2.867 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001473574416 1065286809 /nfs/dbraw/zinc/28/68/09/1065286809.db2.gz XGKJVQASHWQUQG-HIFRSBDPSA-N 1 2 361.360 2.867 20 10 FFCDLO COc1cc(NC(=O)C[N@H+](C)Cc2cc(F)c(F)cc2O)cc(OC)c1 ZINC001560649971 1076288279 /nfs/dbraw/zinc/28/82/79/1076288279.db2.gz BLVAALVGZJVPOQ-UHFFFAOYSA-N 1 2 366.364 2.758 20 10 FFCDLO COc1cc(NC(=O)C[N@@H+](C)Cc2cc(F)c(F)cc2O)cc(OC)c1 ZINC001560649971 1076288284 /nfs/dbraw/zinc/28/82/84/1076288284.db2.gz BLVAALVGZJVPOQ-UHFFFAOYSA-N 1 2 366.364 2.758 20 10 FFCDLO CNc1cc(CNC(=O)NCc2cccc(Br)c2O)cc[nH+]1 ZINC001565484945 1076734976 /nfs/dbraw/zinc/73/49/76/1076734976.db2.gz LGBJKDFLYLYRHB-UHFFFAOYSA-N 1 2 365.231 2.591 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589969255 1080910940 /nfs/dbraw/zinc/91/09/40/1080910940.db2.gz BUSJWJSBZDZWDB-GFCCVEGCSA-N 1 2 353.426 2.651 20 10 FFCDLO COc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1O ZINC000105650807 508379740 /nfs/dbraw/zinc/37/97/40/508379740.db2.gz LTEMZEGBHYKJJE-SFHVURJKSA-N 1 2 372.490 2.807 20 10 FFCDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000237666326 509705316 /nfs/dbraw/zinc/70/53/16/509705316.db2.gz BAVXLXLOGBAVPI-GOSISDBHSA-N 1 2 367.493 2.561 20 10 FFCDLO CCCN(Cc1ccccc1O)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000170731846 509742866 /nfs/dbraw/zinc/74/28/66/509742866.db2.gz NTDFWSXXSVQCRT-UHFFFAOYSA-N 1 2 370.497 2.777 20 10 FFCDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(O)c1O ZINC000187153340 510091257 /nfs/dbraw/zinc/09/12/57/510091257.db2.gz DSGOZTFSJARFBX-UHFFFAOYSA-N 1 2 355.438 2.872 20 10 FFCDLO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(F)c(F)c3O)C2=O)n(C)n1 ZINC000187863636 510476026 /nfs/dbraw/zinc/47/60/26/510476026.db2.gz SESRUTHAUXTJHL-RISCZKNCSA-N 1 2 364.396 2.559 20 10 FFCDLO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)CC2 ZINC000185317828 510803693 /nfs/dbraw/zinc/80/36/93/510803693.db2.gz CESANXCONMCAOL-LDYMZIIASA-N 1 2 369.238 2.859 20 10 FFCDLO CC[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc(Cl)c1O ZINC000286976136 511036755 /nfs/dbraw/zinc/03/67/55/511036755.db2.gz ITBCCSQVRSTMEG-ABAIWWIYSA-N 1 2 362.861 2.644 20 10 FFCDLO CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cccc(Cl)c1O ZINC000287592331 511053135 /nfs/dbraw/zinc/05/31/35/511053135.db2.gz ICUFSDJINLTEOV-BXUZGUMPSA-N 1 2 350.850 2.839 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)N3CCn4c[nH+]cc4C3)cc2)CC1 ZINC000290823436 511151535 /nfs/dbraw/zinc/15/15/35/511151535.db2.gz ADQGLBDVFNXKOO-UHFFFAOYSA-N 1 2 353.470 2.845 20 10 FFCDLO COC1CCN(c2ccc(C[N@@H+]3CC[S@](=O)[C@H](C)[C@H]3C)cc2)CC1 ZINC000294869689 511203982 /nfs/dbraw/zinc/20/39/82/511203982.db2.gz DQYRRGQWRDBQQC-JOWJHRDDSA-N 1 2 350.528 2.643 20 10 FFCDLO COC1CCN(c2ccc(C[N@H+]3CC[S@](=O)[C@H](C)[C@H]3C)cc2)CC1 ZINC000294869689 511203987 /nfs/dbraw/zinc/20/39/87/511203987.db2.gz DQYRRGQWRDBQQC-JOWJHRDDSA-N 1 2 350.528 2.643 20 10 FFCDLO COc1ccc([NH+]2CCC(Nc3c(C)c(C)nc4ncnn43)CC2)cc1 ZINC000301283702 511692964 /nfs/dbraw/zinc/69/29/64/511692964.db2.gz LPFHTVVJLSQHEJ-UHFFFAOYSA-N 1 2 352.442 2.831 20 10 FFCDLO CN(Cc1ccc(N2CCOCC2)cc1)c1cc(NCC2CC2)[nH+]cn1 ZINC000301824967 511701570 /nfs/dbraw/zinc/70/15/70/511701570.db2.gz MBDRCTAZVWBBOS-UHFFFAOYSA-N 1 2 353.470 2.772 20 10 FFCDLO CN(Cc1ccc(N2CCOCC2)cc1)c1cc(NCC2CC2)nc[nH+]1 ZINC000301824967 511701578 /nfs/dbraw/zinc/70/15/78/511701578.db2.gz MBDRCTAZVWBBOS-UHFFFAOYSA-N 1 2 353.470 2.772 20 10 FFCDLO COc1ccccc1[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1[nH+]ccn1C ZINC000376843314 513012895 /nfs/dbraw/zinc/01/28/95/513012895.db2.gz FQMZAOBETBJOAY-MRXNPFEDSA-N 1 2 367.405 2.668 20 10 FFCDLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(O)cccc1Cl ZINC000826159282 608567443 /nfs/dbraw/zinc/56/74/43/608567443.db2.gz ZZAXUGXUPOOLIY-UHFFFAOYSA-N 1 2 373.844 2.874 20 10 FFCDLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(O)cccc1Cl ZINC000826159282 608567445 /nfs/dbraw/zinc/56/74/45/608567445.db2.gz ZZAXUGXUPOOLIY-UHFFFAOYSA-N 1 2 373.844 2.874 20 10 FFCDLO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccccc3F)c2)CC1 ZINC000185157003 729343113 /nfs/dbraw/zinc/34/31/13/729343113.db2.gz ZEKKUHLVEPNLOX-UHFFFAOYSA-N 1 2 363.458 2.768 20 10 FFCDLO OC[C@H]1CCCCN1c1cc(NCCCSc2nccs2)[nH+]cn1 ZINC000192311951 729423683 /nfs/dbraw/zinc/42/36/83/729423683.db2.gz WPGQVDQNMSWVBA-CYBMUJFWSA-N 1 2 365.528 2.879 20 10 FFCDLO OC[C@H]1CCCCN1c1cc(NCCCSc2nccs2)nc[nH+]1 ZINC000192311951 729423684 /nfs/dbraw/zinc/42/36/84/729423684.db2.gz WPGQVDQNMSWVBA-CYBMUJFWSA-N 1 2 365.528 2.879 20 10 FFCDLO CN(C)c1cc(F)c(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1F ZINC000862245263 730680974 /nfs/dbraw/zinc/68/09/74/730680974.db2.gz LMPCRLIICDYAQA-CYBMUJFWSA-N 1 2 365.346 2.626 20 10 FFCDLO CN(C)c1cc(F)c(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1F ZINC000862245263 730680976 /nfs/dbraw/zinc/68/09/76/730680976.db2.gz LMPCRLIICDYAQA-CYBMUJFWSA-N 1 2 365.346 2.626 20 10 FFCDLO [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C(F)(F)F ZINC000873227503 731893642 /nfs/dbraw/zinc/89/36/42/731893642.db2.gz KTLFRKIQJIEDBY-SCZZXKLOSA-N 1 2 353.728 2.523 20 10 FFCDLO [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C(F)(F)F ZINC000873227503 731893645 /nfs/dbraw/zinc/89/36/45/731893645.db2.gz KTLFRKIQJIEDBY-SCZZXKLOSA-N 1 2 353.728 2.523 20 10 FFCDLO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2cccc3nonc32)c1 ZINC000780753000 738573664 /nfs/dbraw/zinc/57/36/64/738573664.db2.gz SYJBBTPDIYONLK-UHFFFAOYSA-N 1 2 360.439 2.865 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000781910349 738671501 /nfs/dbraw/zinc/67/15/01/738671501.db2.gz UPZNCTKCGAIAEC-CABCVRRESA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000781910349 738671504 /nfs/dbraw/zinc/67/15/04/738671504.db2.gz UPZNCTKCGAIAEC-CABCVRRESA-N 1 2 356.260 2.843 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000882991334 733319079 /nfs/dbraw/zinc/31/90/79/733319079.db2.gz WCZPTNHHSLMIPY-SNVBAGLBSA-N 1 2 364.667 2.951 20 10 FFCDLO COC1([C@@H](C)[NH2+]Cc2cc(Br)cc(F)c2O)CCOCC1 ZINC000883148007 733342310 /nfs/dbraw/zinc/34/23/10/733342310.db2.gz QLBGLNUYBGFQNH-SNVBAGLBSA-N 1 2 362.239 2.968 20 10 FFCDLO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1cc(Br)cc(F)c1O ZINC000886669708 733814843 /nfs/dbraw/zinc/81/48/43/733814843.db2.gz CKLXNBMXFFQGSE-ZMLRMANQSA-N 1 2 362.239 2.874 20 10 FFCDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000894747202 734909312 /nfs/dbraw/zinc/90/93/12/734909312.db2.gz IRWFWFNGGILBRF-BXUZGUMPSA-N 1 2 373.266 2.589 20 10 FFCDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000894747202 734909314 /nfs/dbraw/zinc/90/93/14/734909314.db2.gz IRWFWFNGGILBRF-BXUZGUMPSA-N 1 2 373.266 2.589 20 10 FFCDLO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894991778 734949373 /nfs/dbraw/zinc/94/93/73/734949373.db2.gz GBEYDWFNXJIHPX-VIFPVBQESA-N 1 2 361.667 2.718 20 10 FFCDLO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894991778 734949375 /nfs/dbraw/zinc/94/93/75/734949375.db2.gz GBEYDWFNXJIHPX-VIFPVBQESA-N 1 2 361.667 2.718 20 10 FFCDLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912109592 737266305 /nfs/dbraw/zinc/26/63/05/737266305.db2.gz HGTJLYWHKJYFMR-UHFFFAOYSA-N 1 2 354.376 2.918 20 10 FFCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ncccc1O ZINC000771060764 737690448 /nfs/dbraw/zinc/69/04/48/737690448.db2.gz YOTLGOFMFBGKDL-AWEZNQCLSA-N 1 2 361.829 2.541 20 10 FFCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ncccc1O ZINC000771060764 737690450 /nfs/dbraw/zinc/69/04/50/737690450.db2.gz YOTLGOFMFBGKDL-AWEZNQCLSA-N 1 2 361.829 2.541 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CCO)c(C)n1-c1ccc(Br)cc1 ZINC000916644910 737717376 /nfs/dbraw/zinc/71/73/76/737717376.db2.gz BXMOTWYNWHOWRG-UHFFFAOYSA-N 1 2 365.271 2.963 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CCO)c(C)n1-c1ccc(Br)cc1 ZINC000916644910 737717377 /nfs/dbraw/zinc/71/73/77/737717377.db2.gz BXMOTWYNWHOWRG-UHFFFAOYSA-N 1 2 365.271 2.963 20 10 FFCDLO CCOC1CC(O)(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000774488442 737993957 /nfs/dbraw/zinc/99/39/57/737993957.db2.gz PJAOJJQIKSAPSC-IWPPJYEWSA-N 1 2 362.239 2.874 20 10 FFCDLO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)cc(F)c1O ZINC000797033425 740205306 /nfs/dbraw/zinc/20/53/06/740205306.db2.gz VZGKVSZMZNZNHX-SNVBAGLBSA-N 1 2 362.239 2.876 20 10 FFCDLO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)c(F)cc1O ZINC000799727764 740445703 /nfs/dbraw/zinc/44/57/03/740445703.db2.gz YFJWJKJXJPRDHP-LILOVNGRSA-N 1 2 350.253 2.856 20 10 FFCDLO C[NH+](C)CCN(Cc1cccc(Br)c1O)C[C@H]1CCCO1 ZINC000809738416 741338386 /nfs/dbraw/zinc/33/83/86/741338386.db2.gz XAJOWSQWAMEOSI-CQSZACIVSA-N 1 2 357.292 2.697 20 10 FFCDLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)n1 ZINC000818345248 742265586 /nfs/dbraw/zinc/26/55/86/742265586.db2.gz SMYQCEHMCZCISK-CYBMUJFWSA-N 1 2 363.893 2.947 20 10 FFCDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825514092 743285705 /nfs/dbraw/zinc/28/57/05/743285705.db2.gz LQVIXJBBXULFHJ-UHFFFAOYSA-N 1 2 367.287 2.988 20 10 FFCDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(Br)cc1O ZINC000825514092 743285709 /nfs/dbraw/zinc/28/57/09/743285709.db2.gz LQVIXJBBXULFHJ-UHFFFAOYSA-N 1 2 367.287 2.988 20 10 FFCDLO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1O ZINC000827851235 744990638 /nfs/dbraw/zinc/99/06/38/744990638.db2.gz ROJJIAXUZSETEL-YPMHNXCESA-N 1 2 360.376 2.680 20 10 FFCDLO CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1O ZINC000827851235 744990639 /nfs/dbraw/zinc/99/06/39/744990639.db2.gz ROJJIAXUZSETEL-YPMHNXCESA-N 1 2 360.376 2.680 20 10 FFCDLO COC[C@](C)(O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000834845187 745913435 /nfs/dbraw/zinc/91/34/35/745913435.db2.gz XWIBZEFXOLAUBB-YMTOWFKASA-N 1 2 350.228 2.732 20 10 FFCDLO CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000840888807 747213483 /nfs/dbraw/zinc/21/34/83/747213483.db2.gz ONTKERGKCAVCQN-SECBINFHSA-N 1 2 368.268 2.769 20 10 FFCDLO CC[NH2+]CC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841034777 747258991 /nfs/dbraw/zinc/25/89/91/747258991.db2.gz DJDQCUOEAVFHTO-UHFFFAOYSA-N 1 2 352.070 2.616 20 10 FFCDLO CCOc1cccc(C[NH2+][C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c1O ZINC000846110011 748409005 /nfs/dbraw/zinc/40/90/05/748409005.db2.gz WFCIJLKKLDYJEZ-QRTARXTBSA-N 1 2 351.443 2.627 20 10 FFCDLO CCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1=O ZINC000846208825 748431137 /nfs/dbraw/zinc/43/11/37/748431137.db2.gz MEBXEQKSMAFUFC-UWVGGRQHSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Br)cc(F)c1O ZINC000848573402 748963541 /nfs/dbraw/zinc/96/35/41/748963541.db2.gz ZMPUOXFBQHYJTP-KWQFWETISA-N 1 2 373.222 2.928 20 10 FFCDLO CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OC)cn3)cc2F)CC1 ZINC000892904884 970362995 /nfs/dbraw/zinc/36/29/95/970362995.db2.gz FYKQLBKIZRUIFE-UHFFFAOYSA-N 1 2 358.461 2.661 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000896980108 973114454 /nfs/dbraw/zinc/11/44/54/973114454.db2.gz NRCKHLFOIORMBS-SFHVURJKSA-N 1 2 372.412 2.522 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000896980108 973114464 /nfs/dbraw/zinc/11/44/64/973114464.db2.gz NRCKHLFOIORMBS-SFHVURJKSA-N 1 2 372.412 2.522 20 10 FFCDLO CCON(CC)C(=O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC001203144365 977504832 /nfs/dbraw/zinc/50/48/32/977504832.db2.gz LVNNWCCTLCIFCQ-UHFFFAOYSA-N 1 2 365.655 2.698 20 10 FFCDLO CO[C@@H]1C[C@H]2C[N@H+](Cc3ccc(F)c(F)c3O)Cc3cccnc3N2C1 ZINC000877690779 1014684223 /nfs/dbraw/zinc/68/42/23/1014684223.db2.gz HJULJWJMMHBNFN-LSDHHAIUSA-N 1 2 361.392 2.675 20 10 FFCDLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3O)Cc3cccnc3N2C1 ZINC000877690779 1014684225 /nfs/dbraw/zinc/68/42/25/1014684225.db2.gz HJULJWJMMHBNFN-LSDHHAIUSA-N 1 2 361.392 2.675 20 10 FFCDLO COc1ccccc1[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000877756218 1014714662 /nfs/dbraw/zinc/71/46/62/1014714662.db2.gz SSEGFPYXZMSJRT-QGZVFWFLSA-N 1 2 374.393 2.891 20 10 FFCDLO COc1ccccc1[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000877756218 1014714672 /nfs/dbraw/zinc/71/46/72/1014714672.db2.gz SSEGFPYXZMSJRT-QGZVFWFLSA-N 1 2 374.393 2.891 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000916984569 990085844 /nfs/dbraw/zinc/08/58/44/990085844.db2.gz IRBTWMGSEKTSNY-XLIONFOSSA-N 1 2 359.514 2.854 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144306887 998301482 /nfs/dbraw/zinc/30/14/82/998301482.db2.gz VRUQIGCREFWQRP-GXSJLCMTSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144306887 998301495 /nfs/dbraw/zinc/30/14/95/998301495.db2.gz VRUQIGCREFWQRP-GXSJLCMTSA-N 1 2 360.223 2.925 20 10 FFCDLO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(Br)c(F)cc3O)C2)O1 ZINC001144307741 998305086 /nfs/dbraw/zinc/30/50/86/998305086.db2.gz HDQDMPUPRHLNCL-HNNXBMFYSA-N 1 2 358.207 2.965 20 10 FFCDLO O=C1CC[C@]2(CCC[N@H+](Cc3cc(Br)c(F)cc3O)C2)O1 ZINC001144307741 998305096 /nfs/dbraw/zinc/30/50/96/998305096.db2.gz HDQDMPUPRHLNCL-HNNXBMFYSA-N 1 2 358.207 2.965 20 10 FFCDLO Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c[nH+]1 ZINC000767943773 1000163106 /nfs/dbraw/zinc/16/31/06/1000163106.db2.gz QQBHGAJGRLXSON-MRXNPFEDSA-N 1 2 354.454 2.840 20 10 FFCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(F)c(F)c3)C1)[C@H](O)CO2 ZINC000768448552 1000251179 /nfs/dbraw/zinc/25/11/79/1000251179.db2.gz CVLRBNAREVSWRX-MJGOQNOKSA-N 1 2 363.360 2.670 20 10 FFCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(F)c(F)c3)C1)[C@H](O)CO2 ZINC000768448552 1000251187 /nfs/dbraw/zinc/25/11/87/1000251187.db2.gz CVLRBNAREVSWRX-MJGOQNOKSA-N 1 2 363.360 2.670 20 10 FFCDLO O=C1OCC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CCN12 ZINC000770394318 1000768165 /nfs/dbraw/zinc/76/81/65/1000768165.db2.gz YROQODHDNWBZJU-MRXNPFEDSA-N 1 2 374.441 2.612 20 10 FFCDLO O=C1OCC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CCN12 ZINC000770394318 1000768169 /nfs/dbraw/zinc/76/81/69/1000768169.db2.gz YROQODHDNWBZJU-MRXNPFEDSA-N 1 2 374.441 2.612 20 10 FFCDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000787119651 1001664447 /nfs/dbraw/zinc/66/44/47/1001664447.db2.gz CZJJDIRJXVRRPF-MRXNPFEDSA-N 1 2 351.406 2.973 20 10 FFCDLO CC(C)COC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC001199721786 1005013433 /nfs/dbraw/zinc/01/34/33/1005013433.db2.gz LDNLRTFLIZQEPH-LBPRGKRZSA-N 1 2 366.683 2.931 20 10 FFCDLO O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1CCc2[nH+]ccn2C1 ZINC000776427495 1005665472 /nfs/dbraw/zinc/66/54/72/1005665472.db2.gz PHAATEVBHULYER-CQSZACIVSA-N 1 2 358.405 2.794 20 10 FFCDLO CCOC(=O)C[N@H+](CCC(=O)N(C)c1ccccc1)Cc1ccccc1O ZINC000823575775 1009117026 /nfs/dbraw/zinc/11/70/26/1009117026.db2.gz BNDORMCAOOCUBR-UHFFFAOYSA-N 1 2 370.449 2.810 20 10 FFCDLO CCOC(=O)C[N@@H+](CCC(=O)N(C)c1ccccc1)Cc1ccccc1O ZINC000823575775 1009117031 /nfs/dbraw/zinc/11/70/31/1009117031.db2.gz BNDORMCAOOCUBR-UHFFFAOYSA-N 1 2 370.449 2.810 20 10 FFCDLO Cc1ccc(O)c(CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000860799070 1009154762 /nfs/dbraw/zinc/15/47/62/1009154762.db2.gz PZYZIEVHTAFXJA-UHFFFAOYSA-N 1 2 356.426 2.562 20 10 FFCDLO CCN(C)c1ccc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC000773817277 1009362703 /nfs/dbraw/zinc/36/27/03/1009362703.db2.gz NSLVQANVIJIOPU-UHFFFAOYSA-N 1 2 373.522 2.925 20 10 FFCDLO CCN(C)c1ccc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC000773817277 1009362714 /nfs/dbraw/zinc/36/27/14/1009362714.db2.gz NSLVQANVIJIOPU-UHFFFAOYSA-N 1 2 373.522 2.925 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000869101569 1011610200 /nfs/dbraw/zinc/61/02/00/1011610200.db2.gz ONDJPEZOWVQWLE-KRWDZBQOSA-N 1 2 362.433 2.848 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1F ZINC000828100212 1032599570 /nfs/dbraw/zinc/59/95/70/1032599570.db2.gz JPLBXBZNVMPJBC-UHFFFAOYSA-N 1 2 355.461 2.840 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1F ZINC000828100212 1032599574 /nfs/dbraw/zinc/59/95/74/1032599574.db2.gz JPLBXBZNVMPJBC-UHFFFAOYSA-N 1 2 355.461 2.840 20 10 FFCDLO CC1(C)CN(C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000929969530 1019782267 /nfs/dbraw/zinc/78/22/67/1019782267.db2.gz CJCFHLRRGQXIQG-UHFFFAOYSA-N 1 2 358.438 2.625 20 10 FFCDLO CC1(C)CN(C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000929969530 1019782283 /nfs/dbraw/zinc/78/22/83/1019782283.db2.gz CJCFHLRRGQXIQG-UHFFFAOYSA-N 1 2 358.438 2.625 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000725718032 1020248258 /nfs/dbraw/zinc/24/82/58/1020248258.db2.gz UILKSDXKOFNBTM-GOSISDBHSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000725718032 1020248263 /nfs/dbraw/zinc/24/82/63/1020248263.db2.gz UILKSDXKOFNBTM-GOSISDBHSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000750747278 1022463388 /nfs/dbraw/zinc/46/33/88/1022463388.db2.gz QRUKMJNPWCCEQE-QGZVFWFLSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000750747278 1022463403 /nfs/dbraw/zinc/46/34/03/1022463403.db2.gz QRUKMJNPWCCEQE-QGZVFWFLSA-N 1 2 355.482 2.853 20 10 FFCDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000754347439 1023458273 /nfs/dbraw/zinc/45/82/73/1023458273.db2.gz LATRGMXCKONJQK-IBGZPJMESA-N 1 2 373.497 2.844 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000839668297 1026785839 /nfs/dbraw/zinc/78/58/39/1026785839.db2.gz YDDOMAAAXDGSHB-GHTZIAJQSA-N 1 2 370.493 2.569 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000839668297 1026785848 /nfs/dbraw/zinc/78/58/48/1026785848.db2.gz YDDOMAAAXDGSHB-GHTZIAJQSA-N 1 2 370.493 2.569 20 10 FFCDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N(C)C)c(F)c3)[nH+]cn2)C1 ZINC000840251974 1027021226 /nfs/dbraw/zinc/02/12/26/1027021226.db2.gz SHXBJTITDATUNC-DZGCQCFKSA-N 1 2 359.449 2.501 20 10 FFCDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(N(C)C)c(F)c3)nc[nH+]2)C1 ZINC000840251974 1027021234 /nfs/dbraw/zinc/02/12/34/1027021234.db2.gz SHXBJTITDATUNC-DZGCQCFKSA-N 1 2 359.449 2.501 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC3(CNC(=O)O3)CC2)c(C)n1-c1ccccc1 ZINC000781996218 1029514977 /nfs/dbraw/zinc/51/49/77/1029514977.db2.gz LGVFNJVTUFGDFN-UHFFFAOYSA-N 1 2 367.449 2.851 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cccc(OCC)c2O)Cc2nnn(CC)c21 ZINC001203608336 1030784556 /nfs/dbraw/zinc/78/45/56/1030784556.db2.gz MGABILLXZLQVMV-OAHLLOKOSA-N 1 2 360.458 2.538 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cccc(OCC)c2O)Cc2nnn(CC)c21 ZINC001203608336 1030784559 /nfs/dbraw/zinc/78/45/59/1030784559.db2.gz MGABILLXZLQVMV-OAHLLOKOSA-N 1 2 360.458 2.538 20 10 FFCDLO COc1cc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)cc(O)c1O ZINC001204349851 1031245324 /nfs/dbraw/zinc/24/53/24/1031245324.db2.gz YEFSLFVZKAGDFW-UHFFFAOYSA-N 1 2 362.470 2.721 20 10 FFCDLO COc1cc(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)cc(O)c1O ZINC001204349851 1031245334 /nfs/dbraw/zinc/24/53/34/1031245334.db2.gz YEFSLFVZKAGDFW-UHFFFAOYSA-N 1 2 362.470 2.721 20 10 FFCDLO c1nocc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001205763172 1031981101 /nfs/dbraw/zinc/98/11/01/1031981101.db2.gz QNINRGLBRGGWNR-UHFFFAOYSA-N 1 2 350.422 2.971 20 10 FFCDLO Cc1ccccc1N=Nc1ccc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c(C)c1 ZINC001219203539 1033554168 /nfs/dbraw/zinc/55/41/68/1033554168.db2.gz IXEFOKRWIXUBQC-OXBTWTFQSA-N 1 2 364.413 2.740 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000830535538 1033660062 /nfs/dbraw/zinc/66/00/62/1033660062.db2.gz SYJPAAQCPQLZJH-UHFFFAOYSA-N 1 2 356.397 2.997 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000830535538 1033660074 /nfs/dbraw/zinc/66/00/74/1033660074.db2.gz SYJPAAQCPQLZJH-UHFFFAOYSA-N 1 2 356.397 2.997 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC001138122589 1033796310 /nfs/dbraw/zinc/79/63/10/1033796310.db2.gz OSTGIFNNWCVOBD-CQSZACIVSA-N 1 2 354.422 2.647 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC001138122589 1033796324 /nfs/dbraw/zinc/79/63/24/1033796324.db2.gz OSTGIFNNWCVOBD-CQSZACIVSA-N 1 2 354.422 2.647 20 10 FFCDLO CC[C@H](C)N1CC2(C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)OCC1=O ZINC001277055286 1034311652 /nfs/dbraw/zinc/31/16/52/1034311652.db2.gz RFFFBNFDJAJYJD-HNNXBMFYSA-N 1 2 360.498 2.901 20 10 FFCDLO Cc1nc([C@@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)no1 ZINC001139126373 1034955901 /nfs/dbraw/zinc/95/59/01/1034955901.db2.gz FDWFKHNHQDEEKC-CYBMUJFWSA-N 1 2 355.394 2.878 20 10 FFCDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)no1 ZINC001139126373 1034955907 /nfs/dbraw/zinc/95/59/07/1034955907.db2.gz FDWFKHNHQDEEKC-CYBMUJFWSA-N 1 2 355.394 2.878 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001139126423 1034956363 /nfs/dbraw/zinc/95/63/63/1034956363.db2.gz GNODEHNQSWVIBX-GTNSWQLSSA-N 1 2 371.355 2.942 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001139126423 1034956370 /nfs/dbraw/zinc/95/63/70/1034956370.db2.gz GNODEHNQSWVIBX-GTNSWQLSSA-N 1 2 371.355 2.942 20 10 FFCDLO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139129952 1034959283 /nfs/dbraw/zinc/95/92/83/1034959283.db2.gz LMAJGWQKVFBJRI-CQSZACIVSA-N 1 2 367.405 2.559 20 10 FFCDLO Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139129952 1034959295 /nfs/dbraw/zinc/95/92/95/1034959295.db2.gz LMAJGWQKVFBJRI-CQSZACIVSA-N 1 2 367.405 2.559 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001139133537 1034963184 /nfs/dbraw/zinc/96/31/84/1034963184.db2.gz HSMCODRCCRXQPT-CQSZACIVSA-N 1 2 358.438 2.544 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001139133537 1034963195 /nfs/dbraw/zinc/96/31/95/1034963195.db2.gz HSMCODRCCRXQPT-CQSZACIVSA-N 1 2 358.438 2.544 20 10 FFCDLO Cn1ncc2c1C[N@H+](Cc1cc(F)ccc1O)C[C@@H]2COc1cccnc1 ZINC001140063690 1035327443 /nfs/dbraw/zinc/32/74/43/1035327443.db2.gz WBGYOMXJGRDBOZ-OAHLLOKOSA-N 1 2 368.412 2.838 20 10 FFCDLO Cn1ncc2c1C[N@@H+](Cc1cc(F)ccc1O)C[C@@H]2COc1cccnc1 ZINC001140063690 1035327449 /nfs/dbraw/zinc/32/74/49/1035327449.db2.gz WBGYOMXJGRDBOZ-OAHLLOKOSA-N 1 2 368.412 2.838 20 10 FFCDLO O=C(Cc1ccsc1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140342454 1035445675 /nfs/dbraw/zinc/44/56/75/1035445675.db2.gz JSIDHHJSJCWHLJ-UHFFFAOYSA-N 1 2 350.871 2.994 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(CC(=O)OC(C)(C)C)CC2)cc1Cl ZINC001232263885 1035536549 /nfs/dbraw/zinc/53/65/49/1035536549.db2.gz BMPVIWWIFVUPPC-UHFFFAOYSA-N 1 2 370.877 2.514 20 10 FFCDLO O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581061 1035661359 /nfs/dbraw/zinc/66/13/59/1035661359.db2.gz PKNTYUIWSUCKEM-JXFKEZNVSA-N 1 2 358.388 2.776 20 10 FFCDLO O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581061 1035661367 /nfs/dbraw/zinc/66/13/67/1035661367.db2.gz PKNTYUIWSUCKEM-JXFKEZNVSA-N 1 2 358.388 2.776 20 10 FFCDLO O=C1CO[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)CN1C1CCCC1 ZINC001277231902 1035673457 /nfs/dbraw/zinc/67/34/57/1035673457.db2.gz HNOPEWZXKCGMRC-LJQANCHMSA-N 1 2 364.873 2.792 20 10 FFCDLO O=C1CO[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)CN1C1CCCC1 ZINC001277231902 1035673458 /nfs/dbraw/zinc/67/34/58/1035673458.db2.gz HNOPEWZXKCGMRC-LJQANCHMSA-N 1 2 364.873 2.792 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3ccnc(C(=O)OC)c3)CC2)cc1 ZINC001232775676 1036013118 /nfs/dbraw/zinc/01/31/18/1036013118.db2.gz LWZUMUGPYKRMSV-UHFFFAOYSA-N 1 2 355.438 2.589 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cccc(O)c3OC)CC2)c(OC)c1 ZINC001233257861 1036468461 /nfs/dbraw/zinc/46/84/61/1036468461.db2.gz FLALZBFVDDGEBO-UHFFFAOYSA-N 1 2 358.438 2.740 20 10 FFCDLO CCOCc1nnn2c1C[N@H+](Cc1cc(Cl)cc(OC)c1O)CCC2 ZINC001233289014 1036495393 /nfs/dbraw/zinc/49/53/93/1036495393.db2.gz GTBSQJHXVCUEOA-UHFFFAOYSA-N 1 2 366.849 2.588 20 10 FFCDLO CCOCc1nnn2c1C[N@@H+](Cc1cc(Cl)cc(OC)c1O)CCC2 ZINC001233289014 1036495403 /nfs/dbraw/zinc/49/54/03/1036495403.db2.gz GTBSQJHXVCUEOA-UHFFFAOYSA-N 1 2 366.849 2.588 20 10 FFCDLO Cc1cc(O[C@@H]2C[NH+]3CCC2CC3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001229543151 1036731492 /nfs/dbraw/zinc/73/14/92/1036731492.db2.gz WDEMHGWJWFZILT-GOSISDBHSA-N 1 2 363.413 2.949 20 10 FFCDLO O=C(c1ccco1)N1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233727892 1036737796 /nfs/dbraw/zinc/73/77/96/1036737796.db2.gz QUSZRYDTKDTHBH-UHFFFAOYSA-N 1 2 370.327 2.842 20 10 FFCDLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC001235066299 1037337139 /nfs/dbraw/zinc/33/71/39/1037337139.db2.gz GMVLSLSTXIPJIM-ZDUSSCGKSA-N 1 2 359.239 2.737 20 10 FFCDLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC001235066299 1037337155 /nfs/dbraw/zinc/33/71/55/1037337155.db2.gz GMVLSLSTXIPJIM-ZDUSSCGKSA-N 1 2 359.239 2.737 20 10 FFCDLO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235302364 1037462069 /nfs/dbraw/zinc/46/20/69/1037462069.db2.gz PKNACSFTLDCIFU-SNVBAGLBSA-N 1 2 359.239 2.594 20 10 FFCDLO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235302364 1037462078 /nfs/dbraw/zinc/46/20/78/1037462078.db2.gz PKNACSFTLDCIFU-SNVBAGLBSA-N 1 2 359.239 2.594 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001235309823 1037465748 /nfs/dbraw/zinc/46/57/48/1037465748.db2.gz XRQDUOXZYYRRBM-GFCCVEGCSA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001235309823 1037465750 /nfs/dbraw/zinc/46/57/50/1037465750.db2.gz XRQDUOXZYYRRBM-GFCCVEGCSA-N 1 2 355.211 2.722 20 10 FFCDLO O=C1CCC2(CC[NH+](Cc3cc(F)cc(Br)c3O)CC2)N1 ZINC001235309896 1037466071 /nfs/dbraw/zinc/46/60/71/1037466071.db2.gz YNEWARPAXNCMCS-UHFFFAOYSA-N 1 2 357.223 2.538 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3cccc(C(=O)OC)n3)CC2)cc1 ZINC001231428069 1037575098 /nfs/dbraw/zinc/57/50/98/1037575098.db2.gz QGDVBHNZBAACSU-UHFFFAOYSA-N 1 2 355.438 2.589 20 10 FFCDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1cc(Cl)c(C)cc1O ZINC001231870843 1037967149 /nfs/dbraw/zinc/96/71/49/1037967149.db2.gz VFSODBJQTMCGDG-UHFFFAOYSA-N 1 2 357.834 2.672 20 10 FFCDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1cc(Cl)c(C)cc1O ZINC001231870843 1037967160 /nfs/dbraw/zinc/96/71/60/1037967160.db2.gz VFSODBJQTMCGDG-UHFFFAOYSA-N 1 2 357.834 2.672 20 10 FFCDLO CN(C1C[NH+](Cc2cc(OCc3ccccc3)ccc2O)C1)[C@@H]1CCOC1 ZINC001236789283 1038272194 /nfs/dbraw/zinc/27/21/94/1038272194.db2.gz NPWTTWNQBNDZMW-LJQANCHMSA-N 1 2 368.477 2.876 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236795404 1038274452 /nfs/dbraw/zinc/27/44/52/1038274452.db2.gz KNFPJRGABWZXCF-ZDUSSCGKSA-N 1 2 365.861 2.924 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cn(C)nc21 ZINC001236795404 1038274464 /nfs/dbraw/zinc/27/44/64/1038274464.db2.gz KNFPJRGABWZXCF-ZDUSSCGKSA-N 1 2 365.861 2.924 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC001236803569 1038279323 /nfs/dbraw/zinc/27/93/23/1038279323.db2.gz OZDPQWLNIYJCMM-UHFFFAOYSA-N 1 2 364.829 2.995 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC001236803569 1038279328 /nfs/dbraw/zinc/27/93/28/1038279328.db2.gz OZDPQWLNIYJCMM-UHFFFAOYSA-N 1 2 364.829 2.995 20 10 FFCDLO CCNc1cc(CNC(=O)N(C)CCN(C)c2ccc(OC)cc2)cc[nH+]1 ZINC001251146697 1038966959 /nfs/dbraw/zinc/96/69/59/1038966959.db2.gz ANFKYESBVOYONG-UHFFFAOYSA-N 1 2 371.485 2.800 20 10 FFCDLO Oc1cccc(F)c1C[NH+]1CC2(CCN2Cc2nc3ccccc3[nH]2)C1 ZINC001279421833 1043093756 /nfs/dbraw/zinc/09/37/56/1043093756.db2.gz PZJGXFFHJKBIOJ-UHFFFAOYSA-N 1 2 352.413 2.868 20 10 FFCDLO COc1ccc(N2CCC[C@]23CCN(Cc2c[nH+]cn2C)C3=O)c(C)c1 ZINC001278092544 1043137367 /nfs/dbraw/zinc/13/73/67/1043137367.db2.gz LYJNGGBILJZPFR-HXUWFJFHSA-N 1 2 354.454 2.509 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1)C1CCOCC1 ZINC001237623284 1043278977 /nfs/dbraw/zinc/27/89/77/1043278977.db2.gz LOKZOLAIOKOCQG-OAHLLOKOSA-N 1 2 370.852 2.692 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)C1CCOCC1 ZINC001237623284 1043278984 /nfs/dbraw/zinc/27/89/84/1043278984.db2.gz LOKZOLAIOKOCQG-OAHLLOKOSA-N 1 2 370.852 2.692 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1)c1cccnc1 ZINC001237941282 1043445746 /nfs/dbraw/zinc/44/57/46/1043445746.db2.gz UYGLQTANHHEFFD-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO OC[C@H](C[NH2+]Cc1cccc(Br)c1O)CC1CCOCC1 ZINC001320889062 1045489059 /nfs/dbraw/zinc/48/90/59/1045489059.db2.gz SKSSGOZYSQSJBP-ZDUSSCGKSA-N 1 2 358.276 2.670 20 10 FFCDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)no1 ZINC001324553537 1046098304 /nfs/dbraw/zinc/09/83/04/1046098304.db2.gz RCXUPWWWMYDZAR-UHFFFAOYSA-N 1 2 367.808 2.876 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC001322873213 1046255591 /nfs/dbraw/zinc/25/55/91/1046255591.db2.gz ZOGXKFOIQORBQQ-XLIONFOSSA-N 1 2 359.514 2.902 20 10 FFCDLO O=C(NCc1c(O)cccc1F)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001303877745 1051465235 /nfs/dbraw/zinc/46/52/35/1051465235.db2.gz FTAZHIUVMXHHEB-SFHVURJKSA-N 1 2 360.454 2.938 20 10 FFCDLO CCOc1ccc(N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001336482461 1054019971 /nfs/dbraw/zinc/01/99/71/1054019971.db2.gz IEMWHDHAGFFOOO-UHFFFAOYSA-N 1 2 350.422 2.924 20 10 FFCDLO COC(=O)[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCC[C@H](OC)C1 ZINC001338272981 1055378123 /nfs/dbraw/zinc/37/81/23/1055378123.db2.gz DCTYMAZHPMUMNR-JLJPHGGASA-N 1 2 351.443 2.546 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001300610063 1058986405 /nfs/dbraw/zinc/98/64/05/1058986405.db2.gz DZBNTWLSITYMTP-HZPDHXFCSA-N 1 2 361.511 2.995 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001300610063 1058986423 /nfs/dbraw/zinc/98/64/23/1058986423.db2.gz DZBNTWLSITYMTP-HZPDHXFCSA-N 1 2 361.511 2.995 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc(CO)ccc3F)CC2)c(OC)c1 ZINC001460660911 1061053153 /nfs/dbraw/zinc/05/31/53/1061053153.db2.gz BDSNRZMUMQFVBO-UHFFFAOYSA-N 1 2 360.429 2.657 20 10 FFCDLO CCc1ccc(C[NH+]2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC001472613992 1065111165 /nfs/dbraw/zinc/11/11/65/1065111165.db2.gz PDJRNWOVOVFSSA-UHFFFAOYSA-N 1 2 358.413 2.757 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nc(C(F)(F)F)n[nH]1 ZINC001474724566 1065591568 /nfs/dbraw/zinc/59/15/68/1065591568.db2.gz SRCYWJZSXLBNFE-NSHDSACASA-N 1 2 369.391 2.635 20 10 FFCDLO Cc1cc(CC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC001586487992 1079638019 /nfs/dbraw/zinc/63/80/19/1079638019.db2.gz OIDNURFIXKJQPJ-GOSISDBHSA-N 1 2 369.509 2.816 20 10 FFCDLO Oc1ccc2c(c1CNc1[nH+]cnc3c1cnn3-c1ncccn1)CCCC2 ZINC000119655103 508836999 /nfs/dbraw/zinc/83/69/99/508836999.db2.gz RNKGSIVWSAHFKW-UHFFFAOYSA-N 1 2 373.420 2.802 20 10 FFCDLO CCOc1ccc(O)c(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000185762787 509343621 /nfs/dbraw/zinc/34/36/21/509343621.db2.gz CDBPMYWJPCLDLI-UHFFFAOYSA-N 1 2 354.410 2.778 20 10 FFCDLO CCOc1ccc(O)c(C[NH2+]Cc2nnc(COc3ccccc3)[nH]2)c1 ZINC000185762787 509343630 /nfs/dbraw/zinc/34/36/30/509343630.db2.gz CDBPMYWJPCLDLI-UHFFFAOYSA-N 1 2 354.410 2.778 20 10 FFCDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1ccc(N)cc1 ZINC000237010711 509551241 /nfs/dbraw/zinc/55/12/41/509551241.db2.gz FEKACFFRCULGDF-UHFFFAOYSA-N 1 2 352.482 2.971 20 10 FFCDLO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCN(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000263777353 510836752 /nfs/dbraw/zinc/83/67/52/510836752.db2.gz NZWNYGSAEZOIRL-INIZCTEOSA-N 1 2 372.488 2.599 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285507804 510935505 /nfs/dbraw/zinc/93/55/05/510935505.db2.gz YBABGYXHZLNONL-IBGZPJMESA-N 1 2 355.486 2.661 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285507804 510935507 /nfs/dbraw/zinc/93/55/07/510935507.db2.gz YBABGYXHZLNONL-IBGZPJMESA-N 1 2 355.486 2.661 20 10 FFCDLO C[C@H](c1cc([N+](=O)[O-])ccc1O)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296427245 511738775 /nfs/dbraw/zinc/73/87/75/511738775.db2.gz LRUBOJMVMBLFTK-HZSPNIEDSA-N 1 2 355.394 2.642 20 10 FFCDLO C[C@H](c1cc([N+](=O)[O-])ccc1O)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296427245 511738780 /nfs/dbraw/zinc/73/87/80/511738780.db2.gz LRUBOJMVMBLFTK-HZSPNIEDSA-N 1 2 355.394 2.642 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000292899515 511763758 /nfs/dbraw/zinc/76/37/58/511763758.db2.gz ZSTXFFRBDMSBMQ-LBPRGKRZSA-N 1 2 364.433 2.638 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000292899515 511763762 /nfs/dbraw/zinc/76/37/62/511763762.db2.gz ZSTXFFRBDMSBMQ-LBPRGKRZSA-N 1 2 364.433 2.638 20 10 FFCDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000366196265 511893223 /nfs/dbraw/zinc/89/32/23/511893223.db2.gz LKDAGIDIVFDZRP-UHFFFAOYSA-N 1 2 352.394 2.863 20 10 FFCDLO O=C(NCCCSc1nccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000154651200 728809243 /nfs/dbraw/zinc/80/92/43/728809243.db2.gz QVTAFJOPEQIKPW-UHFFFAOYSA-N 1 2 363.512 2.552 20 10 FFCDLO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2)c1Cl ZINC000898367589 735348043 /nfs/dbraw/zinc/34/80/43/735348043.db2.gz RSEQDVPCQORNTL-JTQLQIEISA-N 1 2 373.215 2.702 20 10 FFCDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866399 728426556 /nfs/dbraw/zinc/42/65/56/728426556.db2.gz DBFCMIDQKSMUFB-CABCVRRESA-N 1 2 351.466 2.650 20 10 FFCDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000131635426 728722737 /nfs/dbraw/zinc/72/27/37/728722737.db2.gz SWVWYSQOQSYVJY-CQSZACIVSA-N 1 2 365.905 2.611 20 10 FFCDLO CN(C)c1cc(F)c(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1F ZINC000862325086 730687346 /nfs/dbraw/zinc/68/73/46/730687346.db2.gz BOQIKIQTMAGKLE-KRWDZBQOSA-N 1 2 368.449 2.906 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000877811010 732438592 /nfs/dbraw/zinc/43/85/92/732438592.db2.gz CQNBLRZKDGJXQO-GVJMRKKJSA-N 1 2 365.065 2.778 20 10 FFCDLO CCOCCOCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000927085597 738689499 /nfs/dbraw/zinc/68/94/99/738689499.db2.gz AUZSWMBENWDNQG-SNVBAGLBSA-N 1 2 350.228 2.998 20 10 FFCDLO COCCOCCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715714157 734371890 /nfs/dbraw/zinc/37/18/90/734371890.db2.gz WGGFPAYPQAWPGN-UHFFFAOYSA-N 1 2 350.228 2.827 20 10 FFCDLO Cc1nnc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000892606680 734579830 /nfs/dbraw/zinc/57/98/30/734579830.db2.gz KTLDBQVNQBPDOX-UHFFFAOYSA-N 1 2 372.416 2.992 20 10 FFCDLO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894021716 734788082 /nfs/dbraw/zinc/78/80/82/734788082.db2.gz YSXICRAYKPUOCE-SECBINFHSA-N 1 2 361.667 2.766 20 10 FFCDLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894021716 734788083 /nfs/dbraw/zinc/78/80/83/734788083.db2.gz YSXICRAYKPUOCE-SECBINFHSA-N 1 2 361.667 2.766 20 10 FFCDLO CCc1nnc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000894843786 734926431 /nfs/dbraw/zinc/92/64/31/734926431.db2.gz QWHKOHUTGYKACD-UHFFFAOYSA-N 1 2 354.426 2.505 20 10 FFCDLO COC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894930716 734938809 /nfs/dbraw/zinc/93/88/09/734938809.db2.gz VOZZQXOURFDTFT-AWEZNQCLSA-N 1 2 364.667 2.639 20 10 FFCDLO COC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894930716 734938811 /nfs/dbraw/zinc/93/88/11/734938811.db2.gz VOZZQXOURFDTFT-AWEZNQCLSA-N 1 2 364.667 2.639 20 10 FFCDLO CC(C)[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@@H]1CCC(=O)N1 ZINC000895014994 734952509 /nfs/dbraw/zinc/95/25/09/734952509.db2.gz QWYOVRYXZMTECU-LBPRGKRZSA-N 1 2 359.239 2.783 20 10 FFCDLO CC(C)[N@H+](Cc1cc(Br)cc(F)c1O)C[C@@H]1CCC(=O)N1 ZINC000895014994 734952510 /nfs/dbraw/zinc/95/25/10/734952510.db2.gz QWYOVRYXZMTECU-LBPRGKRZSA-N 1 2 359.239 2.783 20 10 FFCDLO CCCN(CCC)c1ccc(C[NH+]2CC(C3CS(=O)(=O)C3)C2)cc1 ZINC000895431285 735005577 /nfs/dbraw/zinc/00/55/77/735005577.db2.gz NWLREUWYVAPIOM-UHFFFAOYSA-N 1 2 350.528 2.789 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(Br)c(F)cc1O ZINC000756448285 736332228 /nfs/dbraw/zinc/33/22/28/736332228.db2.gz BDBBJGJDQOPPCM-VHSXEESVSA-N 1 2 359.239 2.955 20 10 FFCDLO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756481192 736335210 /nfs/dbraw/zinc/33/52/10/736335210.db2.gz VUKGJWXPDGWVEU-LLVKDONJSA-N 1 2 350.365 2.760 20 10 FFCDLO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756578933 736344716 /nfs/dbraw/zinc/34/47/16/736344716.db2.gz YORYVNGCTKQBNN-OQPBUACISA-N 1 2 352.656 2.856 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)cc(F)c1O ZINC000756641895 736349186 /nfs/dbraw/zinc/34/91/86/736349186.db2.gz ZFLLCZDFEWUWPU-MRVPVSSYSA-N 1 2 368.206 2.639 20 10 FFCDLO CCn1cnnc1CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756734587 736356696 /nfs/dbraw/zinc/35/66/96/736356696.db2.gz XXTDVRPVOWEEFI-VIFPVBQESA-N 1 2 357.227 2.799 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000756739163 736357119 /nfs/dbraw/zinc/35/71/19/736357119.db2.gz UAEWKUPQWOOYGC-YMTOWFKASA-N 1 2 362.239 2.732 20 10 FFCDLO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000756739161 736357281 /nfs/dbraw/zinc/35/72/81/736357281.db2.gz UAEWKUPQWOOYGC-OTYXRUKQSA-N 1 2 362.239 2.732 20 10 FFCDLO O=C(NCc1cccc(Br)c1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000765746213 737152540 /nfs/dbraw/zinc/15/25/40/737152540.db2.gz DWSOZEJDXGQDDI-UHFFFAOYSA-N 1 2 373.210 2.665 20 10 FFCDLO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000769315425 737517153 /nfs/dbraw/zinc/51/71/53/737517153.db2.gz BMNFTZILLQOFTM-UHFFFAOYSA-N 1 2 374.312 2.685 20 10 FFCDLO COc1cc(Br)cc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c1O ZINC000814180460 741801336 /nfs/dbraw/zinc/80/13/36/741801336.db2.gz OOKNECCOWGZIAQ-NSHDSACASA-N 1 2 358.232 2.689 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c1O ZINC000814180460 741801339 /nfs/dbraw/zinc/80/13/39/741801339.db2.gz OOKNECCOWGZIAQ-NSHDSACASA-N 1 2 358.232 2.689 20 10 FFCDLO COc1c(O)c(CNC[C@@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000774980449 738047866 /nfs/dbraw/zinc/04/78/66/738047866.db2.gz WIJVWKQXZKUSSU-INIZCTEOSA-N 1 2 351.447 2.909 20 10 FFCDLO COc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c1O ZINC000787288924 739123631 /nfs/dbraw/zinc/12/36/31/739123631.db2.gz QONFWVFDXVIMBZ-OAHLLOKOSA-N 1 2 367.877 2.632 20 10 FFCDLO COc1cc(Cl)cc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c1O ZINC000787288924 739123634 /nfs/dbraw/zinc/12/36/34/739123634.db2.gz QONFWVFDXVIMBZ-OAHLLOKOSA-N 1 2 367.877 2.632 20 10 FFCDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1c(O)ccc(Cl)c1F ZINC000792170328 739645835 /nfs/dbraw/zinc/64/58/35/739645835.db2.gz RYYAUMHBKNDQMV-UHFFFAOYSA-N 1 2 362.788 2.913 20 10 FFCDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1c(O)ccc(Cl)c1F ZINC000792170328 739645840 /nfs/dbraw/zinc/64/58/40/739645840.db2.gz RYYAUMHBKNDQMV-UHFFFAOYSA-N 1 2 362.788 2.913 20 10 FFCDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC000816630509 742049301 /nfs/dbraw/zinc/04/93/01/742049301.db2.gz GRZAIWGUNFDDJQ-UHFFFAOYSA-N 1 2 368.861 2.867 20 10 FFCDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC000816630509 742049305 /nfs/dbraw/zinc/04/93/05/742049305.db2.gz GRZAIWGUNFDDJQ-UHFFFAOYSA-N 1 2 368.861 2.867 20 10 FFCDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCCSc3nccs3)[nH+]cn2)C1 ZINC000840259420 747050477 /nfs/dbraw/zinc/05/04/77/747050477.db2.gz DPAXTSACUGCSPF-OLZOCXBDSA-N 1 2 365.528 2.735 20 10 FFCDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCCSc3nccs3)nc[nH+]2)C1 ZINC000840259420 747050486 /nfs/dbraw/zinc/05/04/86/747050486.db2.gz DPAXTSACUGCSPF-OLZOCXBDSA-N 1 2 365.528 2.735 20 10 FFCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H]1CCC[C@H](OC)C1 ZINC000846108584 748409114 /nfs/dbraw/zinc/40/91/14/748409114.db2.gz PCWKDDUMVRPTBC-HZUKXOBISA-N 1 2 371.861 2.891 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)c(F)cc1O ZINC000846205657 748429890 /nfs/dbraw/zinc/42/98/90/748429890.db2.gz JGNWMKIHTSABRE-VHSXEESVSA-N 1 2 371.250 2.955 20 10 FFCDLO CCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1=O ZINC000846208824 748431301 /nfs/dbraw/zinc/43/13/01/748431301.db2.gz MEBXEQKSMAFUFC-NXEZZACHSA-N 1 2 359.239 2.813 20 10 FFCDLO COC(=O)C[N@H+](CC[C@@H]1COC(C)(C)O1)Cc1cc(Cl)ccc1O ZINC000851841401 749699404 /nfs/dbraw/zinc/69/94/04/749699404.db2.gz QVGUFAQAEGATKL-CQSZACIVSA-N 1 2 357.834 2.562 20 10 FFCDLO COC(=O)C[N@@H+](CC[C@@H]1COC(C)(C)O1)Cc1cc(Cl)ccc1O ZINC000851841401 749699410 /nfs/dbraw/zinc/69/94/10/749699410.db2.gz QVGUFAQAEGATKL-CQSZACIVSA-N 1 2 357.834 2.562 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc4ccccn34)CC2)c(OC)c1 ZINC001203160192 971274791 /nfs/dbraw/zinc/27/47/91/971274791.db2.gz WRABNAICMYSIJF-UHFFFAOYSA-N 1 2 352.438 2.674 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)cc1 ZINC000066863675 972527528 /nfs/dbraw/zinc/52/75/28/972527528.db2.gz GYNHTUCWSSCCME-NQIIRXRSSA-N 1 2 371.525 2.998 20 10 FFCDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)c(F)cc1O ZINC001279107245 962135503 /nfs/dbraw/zinc/13/55/03/962135503.db2.gz KWDURHMMTVCMIF-GASCZTMLSA-N 1 2 362.424 2.736 20 10 FFCDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001279107245 962135510 /nfs/dbraw/zinc/13/55/10/962135510.db2.gz KWDURHMMTVCMIF-GASCZTMLSA-N 1 2 362.424 2.736 20 10 FFCDLO C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245256 962559843 /nfs/dbraw/zinc/55/98/43/962559843.db2.gz BHEJIGJNKPZDBW-UAOJZALGSA-N 1 2 369.513 2.561 20 10 FFCDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000160968851 964005186 /nfs/dbraw/zinc/00/51/86/964005186.db2.gz UMIUQNWUQANAQG-FQEVSTJZSA-N 1 2 357.498 2.500 20 10 FFCDLO O=C(c1cccc(Cl)c1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000025472491 978087556 /nfs/dbraw/zinc/08/75/56/978087556.db2.gz GTGYQIBTGCRMMR-UHFFFAOYSA-N 1 2 374.824 2.732 20 10 FFCDLO C[C@H](C(=O)N(C)c1ccc(N)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000877077828 1014468822 /nfs/dbraw/zinc/46/88/22/1014468822.db2.gz VWXBZHGXLJBATE-OAHLLOKOSA-N 1 2 356.445 2.581 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000729385154 978269579 /nfs/dbraw/zinc/26/95/79/978269579.db2.gz AJBYWALRWDVFBK-GOSISDBHSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000729385154 978269587 /nfs/dbraw/zinc/26/95/87/978269587.db2.gz AJBYWALRWDVFBK-GOSISDBHSA-N 1 2 355.482 2.853 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877519119 1014609825 /nfs/dbraw/zinc/60/98/25/1014609825.db2.gz IDZIUKMQKJLOIS-KBPBESRZSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877519119 1014609829 /nfs/dbraw/zinc/60/98/29/1014609829.db2.gz IDZIUKMQKJLOIS-KBPBESRZSA-N 1 2 370.396 2.540 20 10 FFCDLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000921574815 985408868 /nfs/dbraw/zinc/40/88/68/985408868.db2.gz NADHFTOGDNLGJR-MRXNPFEDSA-N 1 2 370.497 2.964 20 10 FFCDLO COC(=O)c1n[nH]c2c1C[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)CC2 ZINC000826083201 1015322114 /nfs/dbraw/zinc/32/21/14/1015322114.db2.gz AWQYUYDFXUHKAP-UHFFFAOYSA-N 1 2 373.453 2.766 20 10 FFCDLO COC(=O)c1n[nH]c2c1C[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)CC2 ZINC000826083201 1015322124 /nfs/dbraw/zinc/32/21/24/1015322124.db2.gz AWQYUYDFXUHKAP-UHFFFAOYSA-N 1 2 373.453 2.766 20 10 FFCDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000809772847 994598482 /nfs/dbraw/zinc/59/84/82/994598482.db2.gz AZQGZFIWPHKWTC-SFHVURJKSA-N 1 2 371.433 2.735 20 10 FFCDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000809772847 994598492 /nfs/dbraw/zinc/59/84/92/994598492.db2.gz AZQGZFIWPHKWTC-SFHVURJKSA-N 1 2 371.433 2.735 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)C3(F)CCCCC3)CC2)cc1 ZINC000810395289 994772273 /nfs/dbraw/zinc/77/22/73/994772273.db2.gz OLERDXSGLUPHCW-UHFFFAOYSA-N 1 2 363.477 2.606 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCn4c[nH+]cc4C3)c2C)cc1 ZINC000811934056 995294292 /nfs/dbraw/zinc/29/42/92/995294292.db2.gz QUPVTFRGCRWBHY-UHFFFAOYSA-N 1 2 350.422 2.955 20 10 FFCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824231601 996848251 /nfs/dbraw/zinc/84/82/51/996848251.db2.gz PNIQOXBDPZZGBF-OALUTQOASA-N 1 2 374.506 2.883 20 10 FFCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824231601 996848259 /nfs/dbraw/zinc/84/82/59/996848259.db2.gz PNIQOXBDPZZGBF-OALUTQOASA-N 1 2 374.506 2.883 20 10 FFCDLO COc1ccc(N2CC[C@H](CNC(=O)Nc3cc(C)[nH+]cc3C)C2)cc1 ZINC000824253213 996864965 /nfs/dbraw/zinc/86/49/65/996864965.db2.gz SMNNTHBMILYLFJ-MRXNPFEDSA-N 1 2 354.454 2.777 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)cc1 ZINC000824374702 996919214 /nfs/dbraw/zinc/91/92/14/996919214.db2.gz YHRFAQQGLFGPDF-LPHOPBHVSA-N 1 2 356.470 2.874 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCCOCC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000746386506 999985231 /nfs/dbraw/zinc/98/52/31/999985231.db2.gz ROBHOUDTJXZBLK-UHFFFAOYSA-N 1 2 370.449 2.770 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCCOCC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000746386506 999985232 /nfs/dbraw/zinc/98/52/32/999985232.db2.gz ROBHOUDTJXZBLK-UHFFFAOYSA-N 1 2 370.449 2.770 20 10 FFCDLO Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c[nH+]1 ZINC000767949870 1000164192 /nfs/dbraw/zinc/16/41/92/1000164192.db2.gz OJUJEMHSFYRKQG-UHFFFAOYSA-N 1 2 354.454 2.621 20 10 FFCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000770352506 1000766288 /nfs/dbraw/zinc/76/62/88/1000766288.db2.gz OAMIMFBKZVWPTH-CXAGYDPISA-N 1 2 366.458 2.515 20 10 FFCDLO COc1cccc(O)c1C[N@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000770352506 1000766296 /nfs/dbraw/zinc/76/62/96/1000766296.db2.gz OAMIMFBKZVWPTH-CXAGYDPISA-N 1 2 366.458 2.515 20 10 FFCDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001276193307 1016507986 /nfs/dbraw/zinc/50/79/86/1016507986.db2.gz YTHKJJQWERHNDH-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001276193307 1016508001 /nfs/dbraw/zinc/50/80/01/1016508001.db2.gz YTHKJJQWERHNDH-IBGZPJMESA-N 1 2 368.424 2.664 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000787334090 1001682425 /nfs/dbraw/zinc/68/24/25/1001682425.db2.gz GCFSSUDMJPNQLW-YRISNDGFSA-N 1 2 365.477 2.863 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000787334090 1001682428 /nfs/dbraw/zinc/68/24/28/1001682428.db2.gz GCFSSUDMJPNQLW-YRISNDGFSA-N 1 2 365.477 2.863 20 10 FFCDLO COC(=O)[C@]1(OC)CC[N@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000859561832 1008561675 /nfs/dbraw/zinc/56/16/75/1008561675.db2.gz OWBMIBVJPKWPSJ-NRFANRHFSA-N 1 2 370.449 2.541 20 10 FFCDLO COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000859561832 1008561688 /nfs/dbraw/zinc/56/16/88/1008561688.db2.gz OWBMIBVJPKWPSJ-NRFANRHFSA-N 1 2 370.449 2.541 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000860980180 1009220582 /nfs/dbraw/zinc/22/05/82/1009220582.db2.gz OFGYTHVMYKHWPM-SFHVURJKSA-N 1 2 362.433 2.848 20 10 FFCDLO Cc1cc(NCCNC(=O)NCc2ccc(N(C)C)cc2)nc(C(C)C)[nH+]1 ZINC000863501858 1010229233 /nfs/dbraw/zinc/22/92/33/1010229233.db2.gz PCKXGIXOARSACL-UHFFFAOYSA-N 1 2 370.501 2.886 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccoc3C(C)C)CC2)cc1 ZINC000795094486 1011907826 /nfs/dbraw/zinc/90/78/26/1011907826.db2.gz ITYCUXKSEPKNRR-UHFFFAOYSA-N 1 2 371.481 2.964 20 10 FFCDLO Cc1cnccc1-c1noc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC001217056838 1032598729 /nfs/dbraw/zinc/59/87/29/1032598729.db2.gz SSFHGHNJZNPOLR-UHFFFAOYSA-N 1 2 352.394 2.645 20 10 FFCDLO CCN(CC)c1ccc(CN(C)C(=O)/C=C(\C)C[NH+]2CCOCC2)cc1 ZINC000900028212 1020147571 /nfs/dbraw/zinc/14/75/71/1020147571.db2.gz XQPYHRKLXCBIQK-OBGWFSINSA-N 1 2 359.514 2.770 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000802609973 1020254211 /nfs/dbraw/zinc/25/42/11/1020254211.db2.gz OGHVBFPJFVZDDB-UHFFFAOYSA-N 1 2 366.421 2.807 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC001116417057 1021206296 /nfs/dbraw/zinc/20/62/96/1021206296.db2.gz CYAMFHPWZMVWEL-UHFFFAOYSA-N 1 2 367.493 2.866 20 10 FFCDLO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778999610 1022627377 /nfs/dbraw/zinc/62/73/77/1022627377.db2.gz IPSYTJGGPRLJBR-UHFFFAOYSA-N 1 2 357.429 2.901 20 10 FFCDLO CC[C@@H](NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccn(C)n1 ZINC000756555428 1023728345 /nfs/dbraw/zinc/72/83/45/1023728345.db2.gz VFEYWJCUIMEDBI-GOSISDBHSA-N 1 2 359.493 2.942 20 10 FFCDLO CN1CCOc2cc(CN3CC[NH+](Cc4cccc(F)c4)CC3)ccc21 ZINC001141142885 1025515050 /nfs/dbraw/zinc/51/50/50/1025515050.db2.gz FEMNHEFNXQDBKY-UHFFFAOYSA-N 1 2 355.457 2.972 20 10 FFCDLO O=C(C[N@@H+]1CC[C@@H](O)[C@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839664518 1026781575 /nfs/dbraw/zinc/78/15/75/1026781575.db2.gz AXBXMPMPMCRMLE-HNAYVOBHSA-N 1 2 368.437 2.716 20 10 FFCDLO O=C(C[N@H+]1CC[C@@H](O)[C@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839664518 1026781580 /nfs/dbraw/zinc/78/15/80/1026781580.db2.gz AXBXMPMPMCRMLE-HNAYVOBHSA-N 1 2 368.437 2.716 20 10 FFCDLO COc1ccc2c(c1)[nH+]ccc2N(C)S(=O)(=O)CCc1ccc(N)cc1 ZINC001203526445 1030746616 /nfs/dbraw/zinc/74/66/16/1030746616.db2.gz XNOAKAVRUZRQFS-UHFFFAOYSA-N 1 2 371.462 2.834 20 10 FFCDLO CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001203879001 1030956192 /nfs/dbraw/zinc/95/61/92/1030956192.db2.gz ZCVXKWAQBPXLJM-UHFFFAOYSA-N 1 2 357.454 2.799 20 10 FFCDLO CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001203879001 1030956205 /nfs/dbraw/zinc/95/62/05/1030956205.db2.gz ZCVXKWAQBPXLJM-UHFFFAOYSA-N 1 2 357.454 2.799 20 10 FFCDLO Nc1ccc(Cc2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000843160794 1031216770 /nfs/dbraw/zinc/21/67/70/1031216770.db2.gz JCGRFIKEDFBGRQ-GOSISDBHSA-N 1 2 350.422 2.816 20 10 FFCDLO Nc1ccc(Cc2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000843160794 1031216786 /nfs/dbraw/zinc/21/67/86/1031216786.db2.gz JCGRFIKEDFBGRQ-GOSISDBHSA-N 1 2 350.422 2.816 20 10 FFCDLO CC(C)NC(=O)c1noc2c1C[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204326448 1031228564 /nfs/dbraw/zinc/22/85/64/1031228564.db2.gz HSUPSTDLDMTYGI-UHFFFAOYSA-N 1 2 368.481 2.971 20 10 FFCDLO CC(C)NC(=O)c1noc2c1C[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204326448 1031228571 /nfs/dbraw/zinc/22/85/71/1031228571.db2.gz HSUPSTDLDMTYGI-UHFFFAOYSA-N 1 2 368.481 2.971 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)Cc2nnn(C)c21 ZINC001204322350 1031228825 /nfs/dbraw/zinc/22/88/25/1031228825.db2.gz JZEDBHRHFZWFLG-QGZVFWFLSA-N 1 2 355.486 2.551 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)Cc2nnn(C)c21 ZINC001204322350 1031228844 /nfs/dbraw/zinc/22/88/44/1031228844.db2.gz JZEDBHRHFZWFLG-QGZVFWFLSA-N 1 2 355.486 2.551 20 10 FFCDLO COc1cc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)cc(O)c1O ZINC001204343478 1031237822 /nfs/dbraw/zinc/23/78/22/1031237822.db2.gz RRNVHPRZCGPKGG-UHFFFAOYSA-N 1 2 368.437 2.559 20 10 FFCDLO COc1cc(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)cc(O)c1O ZINC001204343478 1031237836 /nfs/dbraw/zinc/23/78/36/1031237836.db2.gz RRNVHPRZCGPKGG-UHFFFAOYSA-N 1 2 368.437 2.559 20 10 FFCDLO [NH3+]Cc1cccc(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)c1 ZINC001218919387 1033408568 /nfs/dbraw/zinc/40/85/68/1033408568.db2.gz KVVMKEFDXXHOGF-UHFFFAOYSA-N 1 2 372.380 2.879 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001138388950 1034225715 /nfs/dbraw/zinc/22/57/15/1034225715.db2.gz BWGOSQVWBCBQGN-QGZVFWFLSA-N 1 2 354.516 2.550 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001138388950 1034225726 /nfs/dbraw/zinc/22/57/26/1034225726.db2.gz BWGOSQVWBCBQGN-QGZVFWFLSA-N 1 2 354.516 2.550 20 10 FFCDLO CCN1CC[C@]2(CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)C1=O ZINC001139127521 1034956236 /nfs/dbraw/zinc/95/62/36/1034956236.db2.gz KZPZUVBVCHOVBA-NRFANRHFSA-N 1 2 370.449 2.641 20 10 FFCDLO CCN1CC[C@]2(CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)C1=O ZINC001139127521 1034956246 /nfs/dbraw/zinc/95/62/46/1034956246.db2.gz KZPZUVBVCHOVBA-NRFANRHFSA-N 1 2 370.449 2.641 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(Cc2cccnc2)CC1 ZINC001139126737 1034957350 /nfs/dbraw/zinc/95/73/50/1034957350.db2.gz OMUCMLJIOGXQCX-UHFFFAOYSA-N 1 2 365.433 2.520 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001139127588 1034958661 /nfs/dbraw/zinc/95/86/61/1034958661.db2.gz YLQLHUKUBGQCLV-UHFFFAOYSA-N 1 2 365.433 2.914 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCN(c2ccccn2)CC1 ZINC001139127588 1034958668 /nfs/dbraw/zinc/95/86/68/1034958668.db2.gz YLQLHUKUBGQCLV-UHFFFAOYSA-N 1 2 365.433 2.914 20 10 FFCDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(C(=O)c3cccn3C)CC2)cc1 ZINC000835025993 1035488962 /nfs/dbraw/zinc/48/89/62/1035488962.db2.gz PQYPKLPXJRHFHH-XQRVVYSFSA-N 1 2 352.482 2.562 20 10 FFCDLO O=C1N(Cc2cnoc2)CC[C@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232351 1035677361 /nfs/dbraw/zinc/67/73/61/1035677361.db2.gz PBZFAAHCYNGHSD-SFHVURJKSA-N 1 2 361.829 2.658 20 10 FFCDLO O=C1N(Cc2cnoc2)CC[C@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232351 1035677365 /nfs/dbraw/zinc/67/73/65/1035677365.db2.gz PBZFAAHCYNGHSD-SFHVURJKSA-N 1 2 361.829 2.658 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232679 1035681770 /nfs/dbraw/zinc/68/17/70/1035681770.db2.gz WXOGCUIWNBYXIU-KUHUBIRLSA-N 1 2 366.889 2.895 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232679 1035681775 /nfs/dbraw/zinc/68/17/75/1035681775.db2.gz WXOGCUIWNBYXIU-KUHUBIRLSA-N 1 2 366.889 2.895 20 10 FFCDLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015823 1036252819 /nfs/dbraw/zinc/25/28/19/1036252819.db2.gz BROISHIQWZVTPY-AAEUAGOBSA-N 1 2 352.431 2.681 20 10 FFCDLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015823 1036252838 /nfs/dbraw/zinc/25/28/38/1036252838.db2.gz BROISHIQWZVTPY-AAEUAGOBSA-N 1 2 352.431 2.681 20 10 FFCDLO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031793 1036270023 /nfs/dbraw/zinc/27/00/23/1036270023.db2.gz MKSRRAGYTURCJO-JTQLQIEISA-N 1 2 359.239 2.594 20 10 FFCDLO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031793 1036270049 /nfs/dbraw/zinc/27/00/49/1036270049.db2.gz MKSRRAGYTURCJO-JTQLQIEISA-N 1 2 359.239 2.594 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c(O)cc(Br)cc3F)CC[C@H]21 ZINC001233033943 1036274469 /nfs/dbraw/zinc/27/44/69/1036274469.db2.gz YWDAKUXNRVSMOU-IINYFYTJSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3c(O)cc(Br)cc3F)CC[C@H]21 ZINC001233033943 1036274479 /nfs/dbraw/zinc/27/44/79/1036274479.db2.gz YWDAKUXNRVSMOU-IINYFYTJSA-N 1 2 371.250 2.737 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3cccc(O)c3F)CC2)cc1 ZINC001233054768 1036301214 /nfs/dbraw/zinc/30/12/14/1036301214.db2.gz XYEDEENEHIIXKS-UHFFFAOYSA-N 1 2 360.429 2.879 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc(N(C)C)nc3F)CC2)c(C)c1 ZINC001233120685 1036370579 /nfs/dbraw/zinc/37/05/79/1036370579.db2.gz VQVDWESYUKAGET-UHFFFAOYSA-N 1 2 358.461 2.926 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCCC3(C2)OCCO3)cc1Br ZINC001233140478 1036389200 /nfs/dbraw/zinc/38/92/00/1036389200.db2.gz IUXJLWLDLYCNLC-UHFFFAOYSA-N 1 2 358.232 2.502 20 10 FFCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3onc(Cn4cccn4)c3C2)c1O ZINC001233288884 1036495550 /nfs/dbraw/zinc/49/55/50/1036495550.db2.gz BAJOOCXLYUMDBS-UHFFFAOYSA-N 1 2 374.828 2.845 20 10 FFCDLO COc1cc(Cl)cc(C[N@H+]2CCc3onc(Cn4cccn4)c3C2)c1O ZINC001233288884 1036495553 /nfs/dbraw/zinc/49/55/53/1036495553.db2.gz BAJOOCXLYUMDBS-UHFFFAOYSA-N 1 2 374.828 2.845 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)c(OC)c1 ZINC001141028158 1036765761 /nfs/dbraw/zinc/76/57/61/1036765761.db2.gz DEHMJKXHUYVMMO-UHFFFAOYSA-N 1 2 371.437 2.759 20 10 FFCDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078600 1036928535 /nfs/dbraw/zinc/92/85/35/1036928535.db2.gz ANXTVKHGWGKBLH-IBGZPJMESA-N 1 2 358.482 2.539 20 10 FFCDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078600 1036928542 /nfs/dbraw/zinc/92/85/42/1036928542.db2.gz ANXTVKHGWGKBLH-IBGZPJMESA-N 1 2 358.482 2.539 20 10 FFCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078538 1036929937 /nfs/dbraw/zinc/92/99/37/1036929937.db2.gz ZWYFEAWQPBBRBI-ACDBMABISA-N 1 2 370.493 2.538 20 10 FFCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078538 1036929950 /nfs/dbraw/zinc/92/99/50/1036929950.db2.gz ZWYFEAWQPBBRBI-ACDBMABISA-N 1 2 370.493 2.538 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(F)C[N@H+](Cc3c(C)cc(OC)cc3O)C[C@@]2(F)C1=O ZINC001277833247 1036930378 /nfs/dbraw/zinc/93/03/78/1036930378.db2.gz FIQPQQZVPANOFJ-ZNZDAUKMSA-N 1 2 368.424 2.582 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(F)C[N@@H+](Cc3c(C)cc(OC)cc3O)C[C@@]2(F)C1=O ZINC001277833247 1036930388 /nfs/dbraw/zinc/93/03/88/1036930388.db2.gz FIQPQQZVPANOFJ-ZNZDAUKMSA-N 1 2 368.424 2.582 20 10 FFCDLO O=C1CCCC2(CC[NH+](Cc3cc(F)cc(Br)c3O)CC2)N1 ZINC001235299459 1037459380 /nfs/dbraw/zinc/45/93/80/1037459380.db2.gz UTQNLOMQWGZSIO-UHFFFAOYSA-N 1 2 371.250 2.929 20 10 FFCDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)cc(Cl)c2O)C1=O ZINC001277508193 1037541667 /nfs/dbraw/zinc/54/16/67/1037541667.db2.gz VEKDGXDUIUGJLP-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)cc(Cl)c2O)C1=O ZINC001277508193 1037541674 /nfs/dbraw/zinc/54/16/74/1037541674.db2.gz VEKDGXDUIUGJLP-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCN1CC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)[C@@H](COC)C1=O ZINC001231911297 1038007136 /nfs/dbraw/zinc/00/71/36/1038007136.db2.gz IZCVRUJFDUZUSM-HNNXBMFYSA-N 1 2 366.889 2.753 20 10 FFCDLO COc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(O)cc1Br ZINC001236748168 1038232221 /nfs/dbraw/zinc/23/22/21/1038232221.db2.gz MCDUEAZEDMQFFA-LBPRGKRZSA-N 1 2 370.165 2.662 20 10 FFCDLO COc1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c(O)cc1Br ZINC001236748168 1038232232 /nfs/dbraw/zinc/23/22/32/1038232232.db2.gz MCDUEAZEDMQFFA-LBPRGKRZSA-N 1 2 370.165 2.662 20 10 FFCDLO COc1cc(C[N@@H+]2CCOC3(CCOCC3)C2)c(O)cc1Br ZINC001236749313 1038232893 /nfs/dbraw/zinc/23/28/93/1038232893.db2.gz BCGRILDYQFCYAG-UHFFFAOYSA-N 1 2 372.259 2.545 20 10 FFCDLO COc1cc(C[N@H+]2CCOC3(CCOCC3)C2)c(O)cc1Br ZINC001236749313 1038232902 /nfs/dbraw/zinc/23/29/02/1038232902.db2.gz BCGRILDYQFCYAG-UHFFFAOYSA-N 1 2 372.259 2.545 20 10 FFCDLO CCC[N@H+](CC(=O)OCC)Cc1cc(OC)c(Br)cc1O ZINC001236755462 1038243595 /nfs/dbraw/zinc/24/35/95/1038243595.db2.gz DEJRTHFHFGPLDI-UHFFFAOYSA-N 1 2 360.248 2.938 20 10 FFCDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(OC)c(Br)cc1O ZINC001236755462 1038243606 /nfs/dbraw/zinc/24/36/06/1038243606.db2.gz DEJRTHFHFGPLDI-UHFFFAOYSA-N 1 2 360.248 2.938 20 10 FFCDLO CCC1=NC2(CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)C(=O)N1C ZINC001236810688 1038285243 /nfs/dbraw/zinc/28/52/43/1038285243.db2.gz XQELOMMUVJIKTO-UHFFFAOYSA-N 1 2 365.861 2.669 20 10 FFCDLO CNC(=O)[C@H]1CC12CC[NH+](Cc1c(O)cc(Br)cc1F)CC2 ZINC001278043990 1038439623 /nfs/dbraw/zinc/43/96/23/1038439623.db2.gz AFRQTEAQQQOING-GFCCVEGCSA-N 1 2 371.250 2.642 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256782330 1038620233 /nfs/dbraw/zinc/62/02/33/1038620233.db2.gz MHCDXPTVGZTOGZ-UWVAXJGDSA-N 1 2 371.433 2.692 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1CCC12C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001278491520 1039885541 /nfs/dbraw/zinc/88/55/41/1039885541.db2.gz XAUSKPJHDXKCGK-UHFFFAOYSA-N 1 2 359.857 2.793 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(C)n3)CC2)c(OC)c1 ZINC001249914787 1041057346 /nfs/dbraw/zinc/05/73/46/1041057346.db2.gz WZORSUPEYAYOHD-UHFFFAOYSA-N 1 2 357.454 2.738 20 10 FFCDLO Oc1cccc(Br)c1C[NH+]1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001279219530 1042949453 /nfs/dbraw/zinc/94/94/53/1042949453.db2.gz FVVBVFANCMELNA-UHFFFAOYSA-N 1 2 362.271 2.943 20 10 FFCDLO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(F)c(F)c2O)c1 ZINC001237453322 1043175523 /nfs/dbraw/zinc/17/55/23/1043175523.db2.gz RNDINCAJMXVCMW-INIZCTEOSA-N 1 2 362.376 2.604 20 10 FFCDLO [NH3+]CCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1c(F)cccc1F ZINC001237676755 1043305050 /nfs/dbraw/zinc/30/50/50/1043305050.db2.gz SBZRHFRGMRQTNO-UHFFFAOYSA-N 1 2 374.796 2.550 20 10 FFCDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c(O)c(OC)c1 ZINC001237680630 1043307064 /nfs/dbraw/zinc/30/70/64/1043307064.db2.gz LERSEPHFEPQJGU-UHFFFAOYSA-N 1 2 370.449 2.676 20 10 FFCDLO CCNC(=O)C[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237784912 1043355793 /nfs/dbraw/zinc/35/57/93/1043355793.db2.gz ZGZLINJWMCRGSS-UHFFFAOYSA-N 1 2 369.181 2.741 20 10 FFCDLO CCNC(=O)C[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237784912 1043355803 /nfs/dbraw/zinc/35/58/03/1043355803.db2.gz ZGZLINJWMCRGSS-UHFFFAOYSA-N 1 2 369.181 2.741 20 10 FFCDLO COc1cnc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)nc1 ZINC001237802739 1043368903 /nfs/dbraw/zinc/36/89/03/1043368903.db2.gz OHKZWSANMGURHD-GFCCVEGCSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)nc1 ZINC001237802739 1043368906 /nfs/dbraw/zinc/36/89/06/1043368906.db2.gz OHKZWSANMGURHD-GFCCVEGCSA-N 1 2 353.781 2.637 20 10 FFCDLO CCn1ccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc(OC)cc1OC ZINC001279759432 1043599049 /nfs/dbraw/zinc/59/90/49/1043599049.db2.gz RBSGSSPGMIYVHF-IYBDPMFKSA-N 1 2 356.470 2.773 20 10 FFCDLO CCn1ccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc(OC)cc1OC ZINC001279759432 1043599060 /nfs/dbraw/zinc/59/90/60/1043599060.db2.gz RBSGSSPGMIYVHF-IYBDPMFKSA-N 1 2 356.470 2.773 20 10 FFCDLO O=C(Nc1ccc(O)cc1O)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001280006780 1044077845 /nfs/dbraw/zinc/07/78/45/1044077845.db2.gz POIYAVHJWYBTKT-WYRIXSBYSA-N 1 2 358.369 2.546 20 10 FFCDLO O=C(Nc1ccc(O)cc1O)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001280006780 1044077859 /nfs/dbraw/zinc/07/78/59/1044077859.db2.gz POIYAVHJWYBTKT-WYRIXSBYSA-N 1 2 358.369 2.546 20 10 FFCDLO COC(=O)c1cc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)cc2n1C ZINC001239589074 1044135185 /nfs/dbraw/zinc/13/51/85/1044135185.db2.gz NLJSIGRJFNUPSM-UHFFFAOYSA-N 1 2 365.433 2.859 20 10 FFCDLO OCC1CCN(c2ccc(C[NH2+]Cc3nnc(C4CC4)s3)cc2)CC1 ZINC001333669601 1049042169 /nfs/dbraw/zinc/04/21/69/1049042169.db2.gz YFWMBSVZCKSMDW-UHFFFAOYSA-N 1 2 358.511 2.914 20 10 FFCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1F ZINC001308788056 1052500130 /nfs/dbraw/zinc/50/01/30/1052500130.db2.gz OXAQBPLUWHRDNA-HXUWFJFHSA-N 1 2 373.447 2.964 20 10 FFCDLO CN(C)c1cc(F)c(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1F ZINC001308788056 1052500137 /nfs/dbraw/zinc/50/01/37/1052500137.db2.gz OXAQBPLUWHRDNA-HXUWFJFHSA-N 1 2 373.447 2.964 20 10 FFCDLO COc1cc(N2CCN(c3cc(F)cc(C)[nH+]3)CC2)cc(OC)c1OC ZINC001339657989 1056683148 /nfs/dbraw/zinc/68/31/48/1056683148.db2.gz CCTVGOMQCNLFSZ-UHFFFAOYSA-N 1 2 361.417 2.882 20 10 FFCDLO COC(=O)N1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC001461143824 1061222050 /nfs/dbraw/zinc/22/20/50/1061222050.db2.gz QGIQJHLDYLVANR-NSHDSACASA-N 1 2 361.211 2.614 20 10 FFCDLO Cc1cc(C[NH+]2CCN([S@](C)(=N)=O)CC2)ccc1N1CCCCC1 ZINC001473776203 1065357663 /nfs/dbraw/zinc/35/76/63/1065357663.db2.gz CLDROKBIJVTXMX-DEOSSOPVSA-N 1 2 350.532 2.694 20 10 FFCDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1cccc(-c2nn[nH]n2)n1 ZINC001582816758 1079114756 /nfs/dbraw/zinc/11/47/56/1079114756.db2.gz SBWUASILRVQASH-UHFFFAOYSA-N 1 2 362.393 2.763 20 10 FFCDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1cccc(-c2nn[nH]n2)n1 ZINC001582816758 1079114757 /nfs/dbraw/zinc/11/47/57/1079114757.db2.gz SBWUASILRVQASH-UHFFFAOYSA-N 1 2 362.393 2.763 20 10 FFCDLO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001560314047 1076263079 /nfs/dbraw/zinc/26/30/79/1076263079.db2.gz ILFIJTCMAXYGEE-UHFFFAOYSA-N 1 2 373.833 2.757 20 10 FFCDLO Cc1cc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c(C)n1-c1ccc(Cl)cc1 ZINC001587874892 1079883538 /nfs/dbraw/zinc/88/35/38/1079883538.db2.gz JVLMXSQSFTWLCG-INIZCTEOSA-N 1 2 372.856 2.804 20 10 FFCDLO Cc1cc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC001587874892 1079883546 /nfs/dbraw/zinc/88/35/46/1079883546.db2.gz JVLMXSQSFTWLCG-INIZCTEOSA-N 1 2 372.856 2.804 20 10 FFCDLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589981172 1080920052 /nfs/dbraw/zinc/92/00/52/1080920052.db2.gz JYLFNBFDPLSDSZ-LBPRGKRZSA-N 1 2 351.414 2.741 20 10 FFCDLO CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c[nH+]1 ZINC000049155628 507598417 /nfs/dbraw/zinc/59/84/17/507598417.db2.gz FUKIIEYOEBMIFE-UHFFFAOYSA-N 1 2 353.470 2.747 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000137988006 508768293 /nfs/dbraw/zinc/76/82/93/508768293.db2.gz PHCICKUEWBOQFL-INIZCTEOSA-N 1 2 373.476 2.790 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000180561676 509985657 /nfs/dbraw/zinc/98/56/57/509985657.db2.gz GXEBLBJAQIQIPJ-CYBMUJFWSA-N 1 2 351.248 2.929 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000180561676 509985661 /nfs/dbraw/zinc/98/56/61/509985661.db2.gz GXEBLBJAQIQIPJ-CYBMUJFWSA-N 1 2 351.248 2.929 20 10 FFCDLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187694012 510389560 /nfs/dbraw/zinc/38/95/60/510389560.db2.gz NABXYNQFAGXHLV-QWRGUYRKSA-N 1 2 370.421 2.990 20 10 FFCDLO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(F)c(F)c1O ZINC000191209134 510548325 /nfs/dbraw/zinc/54/83/25/510548325.db2.gz AJUIJIOQWZCWKD-GFCCVEGCSA-N 1 2 364.392 2.988 20 10 FFCDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC000276778967 510946516 /nfs/dbraw/zinc/94/65/16/510946516.db2.gz ZFGANKHEODUIIR-UHFFFAOYSA-N 1 2 374.412 2.594 20 10 FFCDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC000276778967 510946522 /nfs/dbraw/zinc/94/65/22/510946522.db2.gz ZFGANKHEODUIIR-UHFFFAOYSA-N 1 2 374.412 2.594 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1O ZINC000276998721 510951829 /nfs/dbraw/zinc/95/18/29/510951829.db2.gz YXIZGGINQUBULF-MLGOLLRUSA-N 1 2 361.392 2.907 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000285850166 511014620 /nfs/dbraw/zinc/01/46/20/511014620.db2.gz ZCPFPAWGUKRPPT-BXKDBHETSA-N 1 2 354.319 2.584 20 10 FFCDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000271080820 511076869 /nfs/dbraw/zinc/07/68/69/511076869.db2.gz ZUFGKDHDDLHTTO-WMZOPIPTSA-N 1 2 361.392 2.915 20 10 FFCDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000271080820 511076877 /nfs/dbraw/zinc/07/68/77/511076877.db2.gz ZUFGKDHDDLHTTO-WMZOPIPTSA-N 1 2 361.392 2.915 20 10 FFCDLO C[C@@H](CO)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000289477629 511101565 /nfs/dbraw/zinc/10/15/65/511101565.db2.gz QDGUIBHDQRJYEI-ZETCQYMHSA-N 1 2 353.054 2.730 20 10 FFCDLO C[C@@H](CO)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000289477629 511101570 /nfs/dbraw/zinc/10/15/70/511101570.db2.gz QDGUIBHDQRJYEI-ZETCQYMHSA-N 1 2 353.054 2.730 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000362178232 511144181 /nfs/dbraw/zinc/14/41/81/511144181.db2.gz NEKNFDRYZKGUPA-KRWDZBQOSA-N 1 2 355.486 2.965 20 10 FFCDLO COCc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)no1 ZINC000298351890 511254407 /nfs/dbraw/zinc/25/44/07/511254407.db2.gz JUIFEQXNCDHEFB-OKILXGFUSA-N 1 2 363.433 2.864 20 10 FFCDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280104446 511336818 /nfs/dbraw/zinc/33/68/18/511336818.db2.gz BPMOTKCRYPLZQH-UHFFFAOYSA-N 1 2 352.422 2.638 20 10 FFCDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280104446 511336824 /nfs/dbraw/zinc/33/68/24/511336824.db2.gz BPMOTKCRYPLZQH-UHFFFAOYSA-N 1 2 352.422 2.638 20 10 FFCDLO COc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)ccc1OCCO ZINC000273386000 511525061 /nfs/dbraw/zinc/52/50/61/511525061.db2.gz JLNJCYFRPDANMC-LBPRGKRZSA-N 1 2 362.382 2.531 20 10 FFCDLO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273464213 511527457 /nfs/dbraw/zinc/52/74/57/511527457.db2.gz DHXBOKXDYFITHT-GFCCVEGCSA-N 1 2 364.423 2.696 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000376009287 512613941 /nfs/dbraw/zinc/61/39/41/512613941.db2.gz WNBTYBGXBRXQSF-BDJLRTHQSA-N 1 2 372.259 2.543 20 10 FFCDLO O=C(NCCCSc1nccs1)NCCc1cn2c([nH+]1)CCCC2 ZINC000152376551 728757066 /nfs/dbraw/zinc/75/70/66/728757066.db2.gz QXBBBQSNNDJLBK-UHFFFAOYSA-N 1 2 365.528 2.700 20 10 FFCDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000092510380 728468109 /nfs/dbraw/zinc/46/81/09/728468109.db2.gz XHXQFRIPHHBIOH-CQSZACIVSA-N 1 2 355.276 2.988 20 10 FFCDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cccc(Br)c1O ZINC000092510380 728468110 /nfs/dbraw/zinc/46/81/10/728468110.db2.gz XHXQFRIPHHBIOH-CQSZACIVSA-N 1 2 355.276 2.988 20 10 FFCDLO CC[N@H+](Cc1cccc(Br)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000093414062 728475854 /nfs/dbraw/zinc/47/58/54/728475854.db2.gz GTAPOPJHVRGWAL-NSHDSACASA-N 1 2 364.305 2.800 20 10 FFCDLO CC[N@@H+](Cc1cccc(Br)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000093414062 728475855 /nfs/dbraw/zinc/47/58/55/728475855.db2.gz GTAPOPJHVRGWAL-NSHDSACASA-N 1 2 364.305 2.800 20 10 FFCDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000133727100 728727640 /nfs/dbraw/zinc/72/76/40/728727640.db2.gz NBCMIIMJMZBKPS-OAHLLOKOSA-N 1 2 365.905 2.564 20 10 FFCDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1c(O)cccc1Br ZINC000862351618 730691081 /nfs/dbraw/zinc/69/10/81/730691081.db2.gz NSTJPITXZMIBDG-UHFFFAOYSA-N 1 2 357.292 2.697 20 10 FFCDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1c(O)cccc1Br ZINC000862351618 730691084 /nfs/dbraw/zinc/69/10/84/730691084.db2.gz NSTJPITXZMIBDG-UHFFFAOYSA-N 1 2 357.292 2.697 20 10 FFCDLO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1c(O)cccc1Br ZINC000862351618 730691085 /nfs/dbraw/zinc/69/10/85/730691085.db2.gz NSTJPITXZMIBDG-UHFFFAOYSA-N 1 2 357.292 2.697 20 10 FFCDLO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1c(O)cccc1Br ZINC000862351618 730691087 /nfs/dbraw/zinc/69/10/87/730691087.db2.gz NSTJPITXZMIBDG-UHFFFAOYSA-N 1 2 357.292 2.697 20 10 FFCDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862387243 730695520 /nfs/dbraw/zinc/69/55/20/730695520.db2.gz IQTBQICYZUTNMA-LLVKDONJSA-N 1 2 362.289 2.554 20 10 FFCDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC000862387243 730695521 /nfs/dbraw/zinc/69/55/21/730695521.db2.gz IQTBQICYZUTNMA-LLVKDONJSA-N 1 2 362.289 2.554 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000781907061 738670932 /nfs/dbraw/zinc/67/09/32/738670932.db2.gz CUDYAWFRZJHRDZ-GHMZBOCLSA-N 1 2 364.305 2.717 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000781907061 738670934 /nfs/dbraw/zinc/67/09/34/738670934.db2.gz CUDYAWFRZJHRDZ-GHMZBOCLSA-N 1 2 364.305 2.717 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000883082078 733329289 /nfs/dbraw/zinc/32/92/89/733329289.db2.gz VZCZIZVWAYEMFB-SWLSCSKDSA-N 1 2 360.223 2.722 20 10 FFCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCCOC1 ZINC000883146440 733342439 /nfs/dbraw/zinc/34/24/39/733342439.db2.gz NDKJNXQUYDEYSQ-NOZJJQNGSA-N 1 2 364.667 2.685 20 10 FFCDLO CO[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCOC1 ZINC000883164361 733344951 /nfs/dbraw/zinc/34/49/51/733344951.db2.gz CJQPTWPBYYMVEW-NOZJJQNGSA-N 1 2 364.667 2.949 20 10 FFCDLO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1cc(Br)cc(F)c1O ZINC000886669705 733814929 /nfs/dbraw/zinc/81/49/29/733814929.db2.gz CKLXNBMXFFQGSE-DLOVCJGASA-N 1 2 362.239 2.874 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000725724078 734388383 /nfs/dbraw/zinc/38/83/83/734388383.db2.gz HWAHIAIJBRSKBG-UHFFFAOYSA-N 1 2 361.511 2.996 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000725724078 734388387 /nfs/dbraw/zinc/38/83/87/734388387.db2.gz HWAHIAIJBRSKBG-UHFFFAOYSA-N 1 2 361.511 2.996 20 10 FFCDLO O=C1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Br)c3O)C2)CN1 ZINC000894591652 734883855 /nfs/dbraw/zinc/88/38/55/734883855.db2.gz FPFCJLXVMRPRQQ-CQSZACIVSA-N 1 2 359.651 2.520 20 10 FFCDLO O=C1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(Br)c3O)C2)CN1 ZINC000894591652 734883857 /nfs/dbraw/zinc/88/38/57/734883857.db2.gz FPFCJLXVMRPRQQ-CQSZACIVSA-N 1 2 359.651 2.520 20 10 FFCDLO O=C(N1C[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3O)CC[C@@H]2C1)C(F)(F)F ZINC000894899722 734933883 /nfs/dbraw/zinc/93/38/83/734933883.db2.gz ACNWBUXBZBJVKJ-KOLCDFICSA-N 1 2 364.314 2.513 20 10 FFCDLO O=C(N1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3O)CC[C@@H]2C1)C(F)(F)F ZINC000894899722 734933885 /nfs/dbraw/zinc/93/38/85/734933885.db2.gz ACNWBUXBZBJVKJ-KOLCDFICSA-N 1 2 364.314 2.513 20 10 FFCDLO C[C@H]([NH2+]CCN1CCSCC1)c1cc(Br)c(F)cc1O ZINC000756576125 736344577 /nfs/dbraw/zinc/34/45/77/736344577.db2.gz JRYXVHYPUJUPRG-JTQLQIEISA-N 1 2 363.296 2.993 20 10 FFCDLO C[C@H]([NH2+]CCNc1cnccn1)c1cc(Br)cc(F)c1O ZINC000756645690 736349623 /nfs/dbraw/zinc/34/96/23/736349623.db2.gz INZUZTRHLJMHGP-VIFPVBQESA-N 1 2 355.211 2.847 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000774841222 738031443 /nfs/dbraw/zinc/03/14/43/738031443.db2.gz XHOCUUGOBOWQID-LLVKDONJSA-N 1 2 364.320 2.852 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000774841222 738031446 /nfs/dbraw/zinc/03/14/46/738031446.db2.gz XHOCUUGOBOWQID-LLVKDONJSA-N 1 2 364.320 2.852 20 10 FFCDLO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)cc(F)c3O)C2)n(C)n1 ZINC000775176067 738069666 /nfs/dbraw/zinc/06/96/66/738069666.db2.gz JJHZWYKWEKSEEC-CQSZACIVSA-N 1 2 352.841 2.985 20 10 FFCDLO CCC[N@H+](Cc1cc(Br)ccc1O)[C@@H](COC)C(=O)OCC ZINC000792185992 739648689 /nfs/dbraw/zinc/64/86/89/739648689.db2.gz NKNYDZRHMBLKIO-AWEZNQCLSA-N 1 2 374.275 2.945 20 10 FFCDLO CCC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](COC)C(=O)OCC ZINC000792185992 739648692 /nfs/dbraw/zinc/64/86/92/739648692.db2.gz NKNYDZRHMBLKIO-AWEZNQCLSA-N 1 2 374.275 2.945 20 10 FFCDLO NC(=O)c1ccc(N2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC000816514330 742037047 /nfs/dbraw/zinc/03/70/47/742037047.db2.gz UCPHLGILPHMDSD-UHFFFAOYSA-N 1 2 363.820 2.606 20 10 FFCDLO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2)n(C)n1 ZINC000816592883 742045227 /nfs/dbraw/zinc/04/52/27/742045227.db2.gz XILGJPFSIHFGAE-CYBMUJFWSA-N 1 2 352.841 2.985 20 10 FFCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000817298610 742120633 /nfs/dbraw/zinc/12/06/33/742120633.db2.gz NDADFJBKJJEBSW-RDJZCZTQSA-N 1 2 366.527 2.611 20 10 FFCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000817298610 742120636 /nfs/dbraw/zinc/12/06/36/742120636.db2.gz NDADFJBKJJEBSW-RDJZCZTQSA-N 1 2 366.527 2.611 20 10 FFCDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)s1 ZINC000818358305 742266893 /nfs/dbraw/zinc/26/68/93/742266893.db2.gz TYLNEYSDMFZKIH-ZJUUUORDSA-N 1 2 364.423 2.834 20 10 FFCDLO Oc1cccc(Cl)c1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825305220 743245272 /nfs/dbraw/zinc/24/52/72/743245272.db2.gz DPVLYVDAFRGQRS-UHFFFAOYSA-N 1 2 350.846 2.973 20 10 FFCDLO Oc1cccc(Cl)c1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825305220 743245275 /nfs/dbraw/zinc/24/52/75/743245275.db2.gz DPVLYVDAFRGQRS-UHFFFAOYSA-N 1 2 350.846 2.973 20 10 FFCDLO CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000841043954 747259973 /nfs/dbraw/zinc/25/99/73/747259973.db2.gz RTFADWOERZXMKU-HNNXBMFYSA-N 1 2 364.833 2.809 20 10 FFCDLO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000397453645 845868791 /nfs/dbraw/zinc/86/87/91/845868791.db2.gz QUMXSSOOFXGCLX-CYBMUJFWSA-N 1 2 356.850 2.771 20 10 FFCDLO O=C(NCc1cccc(Cl)c1O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000890760128 960321470 /nfs/dbraw/zinc/32/14/70/960321470.db2.gz JAIQHYUBDOXFBT-SFHVURJKSA-N 1 2 374.868 2.860 20 10 FFCDLO Cc1c(C[NH+]2CC3(C2)CN(CC(C)C)C(=O)CO3)c2ccccc2n1C ZINC001276097744 1013458216 /nfs/dbraw/zinc/45/82/16/1013458216.db2.gz XLQQVJHPAUYUHE-UHFFFAOYSA-N 1 2 355.482 2.556 20 10 FFCDLO COc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c(O)c1OC ZINC000891467085 964357602 /nfs/dbraw/zinc/35/76/02/964357602.db2.gz CLSFGNALMADMOL-UHFFFAOYSA-N 1 2 355.394 2.690 20 10 FFCDLO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c(O)c1OC ZINC000891467085 964357611 /nfs/dbraw/zinc/35/76/11/964357611.db2.gz CLSFGNALMADMOL-UHFFFAOYSA-N 1 2 355.394 2.690 20 10 FFCDLO COCCOc1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)o1 ZINC000892222897 966325032 /nfs/dbraw/zinc/32/50/32/966325032.db2.gz YZNVBSVTGHZNQJ-UHFFFAOYSA-N 1 2 364.417 2.775 20 10 FFCDLO O=C(NCCCn1cc[nH+]c1)N(Cc1ccco1)Cc1ccccc1O ZINC000060063934 968147786 /nfs/dbraw/zinc/14/77/86/968147786.db2.gz FMXPXMXPSCFVEG-UHFFFAOYSA-N 1 2 354.410 2.984 20 10 FFCDLO CCc1cc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nc(CC)[nH+]1 ZINC000895217926 968492465 /nfs/dbraw/zinc/49/24/65/968492465.db2.gz DAPPWYPLCJSGAU-UHFFFAOYSA-N 1 2 367.497 2.915 20 10 FFCDLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1O ZINC000874996906 1013943103 /nfs/dbraw/zinc/94/31/03/1013943103.db2.gz JDKACZKSCSXOAR-FUHWJXTLSA-N 1 2 369.465 2.653 20 10 FFCDLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1O ZINC000874996906 1013943115 /nfs/dbraw/zinc/94/31/15/1013943115.db2.gz JDKACZKSCSXOAR-FUHWJXTLSA-N 1 2 369.465 2.653 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000729385155 978269898 /nfs/dbraw/zinc/26/98/98/978269898.db2.gz AJBYWALRWDVFBK-SFHVURJKSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729385155 978269907 /nfs/dbraw/zinc/26/99/07/978269907.db2.gz AJBYWALRWDVFBK-SFHVURJKSA-N 1 2 355.482 2.853 20 10 FFCDLO CN1c2ccccc2C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000877654490 1014662633 /nfs/dbraw/zinc/66/26/33/1014662633.db2.gz PJJSZKHWQGKLTH-UHFFFAOYSA-N 1 2 365.477 2.626 20 10 FFCDLO CN1c2ccccc2C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000877654490 1014662639 /nfs/dbraw/zinc/66/26/39/1014662639.db2.gz PJJSZKHWQGKLTH-UHFFFAOYSA-N 1 2 365.477 2.626 20 10 FFCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001142525122 982565454 /nfs/dbraw/zinc/56/54/54/982565454.db2.gz YLLPEBJILUQRMR-UHFFFAOYSA-N 1 2 374.313 2.801 20 10 FFCDLO Cn1c2ccncc2n(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1=O ZINC000156638243 984358266 /nfs/dbraw/zinc/35/82/66/984358266.db2.gz DWJBDHHTACMHDZ-UHFFFAOYSA-N 1 2 365.481 2.815 20 10 FFCDLO Cn1c2ccncc2n(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1=O ZINC000156638243 984358272 /nfs/dbraw/zinc/35/82/72/984358272.db2.gz DWJBDHHTACMHDZ-UHFFFAOYSA-N 1 2 365.481 2.815 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)NCc2[nH]c[nH+]c2C)CCCC1 ZINC000651427250 1015156327 /nfs/dbraw/zinc/15/63/27/1015156327.db2.gz PQUGCYRIJORUGJ-UHFFFAOYSA-N 1 2 352.438 2.877 20 10 FFCDLO Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c(O)c1O ZINC000179449123 991256527 /nfs/dbraw/zinc/25/65/27/991256527.db2.gz VMYGEGRZHLCADX-UHFFFAOYSA-N 1 2 353.378 2.934 20 10 FFCDLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000068549117 991467319 /nfs/dbraw/zinc/46/73/19/991467319.db2.gz ZVDZWGIZKBVZBE-KRWDZBQOSA-N 1 2 371.485 2.560 20 10 FFCDLO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)C(F)(F)F ZINC000810851812 994957639 /nfs/dbraw/zinc/95/76/39/994957639.db2.gz BGDAPQQOMRZCEG-MRXNPFEDSA-N 1 2 373.394 2.735 20 10 FFCDLO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H](F)C(F)(F)F ZINC000810851812 994957648 /nfs/dbraw/zinc/95/76/48/994957648.db2.gz BGDAPQQOMRZCEG-MRXNPFEDSA-N 1 2 373.394 2.735 20 10 FFCDLO COc1ccc(N2CCC(NC(=O)Cc3cn4c([nH+]3)CCCC4)CC2)cc1 ZINC000845389147 998527400 /nfs/dbraw/zinc/52/74/00/998527400.db2.gz UDTKQDAYDRGWJV-UHFFFAOYSA-N 1 2 368.481 2.556 20 10 FFCDLO COc1ccc(N2CCN(C(=O)Nc3cc(C)[nH+]cc3C)CC2)cc1F ZINC000767947315 1000163462 /nfs/dbraw/zinc/16/34/62/1000163462.db2.gz LWFAPWKDAOYNFV-UHFFFAOYSA-N 1 2 358.417 2.622 20 10 FFCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(F)c(F)c3)C1)[C@@H](O)CO2 ZINC000768448555 1000250220 /nfs/dbraw/zinc/25/02/20/1000250220.db2.gz CVLRBNAREVSWRX-PKOBYXMFSA-N 1 2 363.360 2.670 20 10 FFCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(F)c(F)c3)C1)[C@@H](O)CO2 ZINC000768448555 1000250231 /nfs/dbraw/zinc/25/02/31/1000250231.db2.gz CVLRBNAREVSWRX-PKOBYXMFSA-N 1 2 363.360 2.670 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CCC34CCCC4)cc12 ZINC001184358836 1002566875 /nfs/dbraw/zinc/56/68/75/1002566875.db2.gz CSTSOWAHJYXHML-UHFFFAOYSA-N 1 2 370.449 2.784 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CCC34CCCC4)cc12 ZINC001184358836 1002566880 /nfs/dbraw/zinc/56/68/80/1002566880.db2.gz CSTSOWAHJYXHML-UHFFFAOYSA-N 1 2 370.449 2.784 20 10 FFCDLO COc1ccc(N2CC[C@H](Nc3cc(N4CCSCC4)nc[nH+]3)C2)cc1 ZINC000853758596 1006527406 /nfs/dbraw/zinc/52/74/06/1006527406.db2.gz HZYZNHGFAWRGFZ-HNNXBMFYSA-N 1 2 371.510 2.729 20 10 FFCDLO COc1ccc(N2CC[C@H](Nc3cc(N4CCSCC4)[nH+]cn3)C2)cc1 ZINC000853758596 1006527416 /nfs/dbraw/zinc/52/74/16/1006527416.db2.gz HZYZNHGFAWRGFZ-HNNXBMFYSA-N 1 2 371.510 2.729 20 10 FFCDLO Cc1c[nH+]c2cc(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)ccn12 ZINC000856209675 1007725177 /nfs/dbraw/zinc/72/51/77/1007725177.db2.gz XJQBDPXVXVSDPI-UHFFFAOYSA-N 1 2 364.449 2.534 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCn4c[nH+]cc43)ccc21 ZINC000857984825 1008268541 /nfs/dbraw/zinc/26/85/41/1008268541.db2.gz MEHKKUOHEQGXRM-KRWDZBQOSA-N 1 2 352.438 2.976 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000858102637 1008302035 /nfs/dbraw/zinc/30/20/35/1008302035.db2.gz CDZCBVLHKKFQCC-UHFFFAOYSA-N 1 2 350.422 2.923 20 10 FFCDLO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3n[nH]c4ccccc43)cc2)CC1 ZINC000886325073 1008637845 /nfs/dbraw/zinc/63/78/45/1008637845.db2.gz SFKNOOOBXFGODP-UHFFFAOYSA-N 1 2 363.465 2.554 20 10 FFCDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000129710106 1009298853 /nfs/dbraw/zinc/29/88/53/1009298853.db2.gz PPXGHVSLSAXKKM-UHFFFAOYSA-N 1 2 369.469 2.614 20 10 FFCDLO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)Cc2ccccc21 ZINC000862537703 1009872348 /nfs/dbraw/zinc/87/23/48/1009872348.db2.gz FMDJHEQGUSKBSB-HNNXBMFYSA-N 1 2 372.377 2.581 20 10 FFCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)Cc2ccccc21 ZINC000862537703 1009872367 /nfs/dbraw/zinc/87/23/67/1009872367.db2.gz FMDJHEQGUSKBSB-HNNXBMFYSA-N 1 2 372.377 2.581 20 10 FFCDLO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1O ZINC000867977186 1011136901 /nfs/dbraw/zinc/13/69/01/1011136901.db2.gz ATHGFMMZTGIJKR-INIZCTEOSA-N 1 2 369.465 2.785 20 10 FFCDLO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229347 1012108807 /nfs/dbraw/zinc/10/88/07/1012108807.db2.gz KBOAQFQNAKYAHY-LJQANCHMSA-N 1 2 366.408 2.812 20 10 FFCDLO CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229347 1012108821 /nfs/dbraw/zinc/10/88/21/1012108821.db2.gz KBOAQFQNAKYAHY-LJQANCHMSA-N 1 2 366.408 2.812 20 10 FFCDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2ncnn21 ZINC000924713532 1017439236 /nfs/dbraw/zinc/43/92/36/1017439236.db2.gz FEWCZBGKFGHXPI-ZOMKSWQUSA-N 1 2 359.449 2.826 20 10 FFCDLO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000777669048 1018778660 /nfs/dbraw/zinc/77/86/60/1018778660.db2.gz DBQGLOFHWMTXKF-KRWDZBQOSA-N 1 2 355.486 2.886 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000725723615 1020249074 /nfs/dbraw/zinc/24/90/74/1020249074.db2.gz DRVXCDDHRVYQOY-UHFFFAOYSA-N 1 2 355.482 2.935 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000725723615 1020249082 /nfs/dbraw/zinc/24/90/82/1020249082.db2.gz DRVXCDDHRVYQOY-UHFFFAOYSA-N 1 2 355.482 2.935 20 10 FFCDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000802659289 1020301625 /nfs/dbraw/zinc/30/16/25/1020301625.db2.gz IGFOIUKXEODTRZ-UHFFFAOYSA-N 1 2 360.366 2.712 20 10 FFCDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000802659289 1020301636 /nfs/dbraw/zinc/30/16/36/1020301636.db2.gz IGFOIUKXEODTRZ-UHFFFAOYSA-N 1 2 360.366 2.712 20 10 FFCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC000933139900 1020962394 /nfs/dbraw/zinc/96/23/94/1020962394.db2.gz WRAZVOUCNAGYEF-UHFFFAOYSA-N 1 2 364.449 2.702 20 10 FFCDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000779019386 1022656840 /nfs/dbraw/zinc/65/68/40/1022656840.db2.gz KZUCQPKIAONAIX-MRXNPFEDSA-N 1 2 372.440 2.951 20 10 FFCDLO CN(C)C(=O)COC1C[NH+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000751944166 1022989648 /nfs/dbraw/zinc/98/96/48/1022989648.db2.gz ARRYVHQSDYWVSP-UHFFFAOYSA-N 1 2 354.406 2.581 20 10 FFCDLO CCc1ncc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)o1 ZINC001119815682 1023110536 /nfs/dbraw/zinc/11/05/36/1023110536.db2.gz CHLWNSXJIAOFBO-UHFFFAOYSA-N 1 2 361.442 2.585 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3ccc(F)nc3)CC2)cc(OC)c1OC ZINC000189575524 1023307271 /nfs/dbraw/zinc/30/72/71/1023307271.db2.gz CLFAITPWVLXJBI-UHFFFAOYSA-N 1 2 361.417 2.569 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NCc3ccccc3)CC2)cc1F ZINC000084865995 1025151217 /nfs/dbraw/zinc/15/12/17/1025151217.db2.gz DBOQEGQFKNSLFF-MRXNPFEDSA-N 1 2 371.456 2.661 20 10 FFCDLO Oc1ccc(O)c(C[N@@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001141160112 1025543288 /nfs/dbraw/zinc/54/32/88/1025543288.db2.gz QDDBENDSVYHZNU-VQIMIIECSA-N 1 2 358.413 2.574 20 10 FFCDLO Oc1ccc(O)c(C[N@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001141160112 1025543295 /nfs/dbraw/zinc/54/32/95/1025543295.db2.gz QDDBENDSVYHZNU-VQIMIIECSA-N 1 2 358.413 2.574 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000840265984 1027026142 /nfs/dbraw/zinc/02/61/42/1027026142.db2.gz CRZFTJXVYRFVSR-KRWDZBQOSA-N 1 2 357.502 2.968 20 10 FFCDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc2cccnc2c1O ZINC001142731279 1030773296 /nfs/dbraw/zinc/77/32/96/1030773296.db2.gz RNQYMPICESRXFP-CYBMUJFWSA-N 1 2 364.327 2.947 20 10 FFCDLO COc1cccc(C[N@@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)c1O ZINC001203601599 1030780391 /nfs/dbraw/zinc/78/03/91/1030780391.db2.gz CGWNZJUAEIQJMY-HNNXBMFYSA-N 1 2 351.443 2.724 20 10 FFCDLO COc1cccc(C[N@H+]2CCOC[C@@H]2CCC(=O)OC(C)(C)C)c1O ZINC001203601599 1030780410 /nfs/dbraw/zinc/78/04/10/1030780410.db2.gz CGWNZJUAEIQJMY-HNNXBMFYSA-N 1 2 351.443 2.724 20 10 FFCDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c1O ZINC001203610207 1030787193 /nfs/dbraw/zinc/78/71/93/1030787193.db2.gz ZDSONHNCBHQAFZ-UHFFFAOYSA-N 1 2 358.413 2.888 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)cc1 ZINC001203933835 1030992406 /nfs/dbraw/zinc/99/24/06/1030992406.db2.gz SHMJQNMHDMDHFG-UHFFFAOYSA-N 1 2 350.470 2.600 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)cc1 ZINC001203933835 1030992417 /nfs/dbraw/zinc/99/24/17/1030992417.db2.gz SHMJQNMHDMDHFG-UHFFFAOYSA-N 1 2 350.470 2.600 20 10 FFCDLO COc1cc(C[NH+]2CCN(c3nccc4occc43)CC2)cc(O)c1O ZINC001204345229 1031241266 /nfs/dbraw/zinc/24/12/66/1031241266.db2.gz PJLBBVPJCYRKIW-UHFFFAOYSA-N 1 2 355.394 2.570 20 10 FFCDLO Nc1ccc(N(C(=O)[C@@H]2COCC[NH2+]2)c2ccc3ccccc3c2N)cc1 ZINC001219473453 1033661204 /nfs/dbraw/zinc/66/12/04/1033661204.db2.gz ADHUVGQPVYRFPH-SFHVURJKSA-N 1 2 362.433 2.657 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001138123998 1033801540 /nfs/dbraw/zinc/80/15/40/1033801540.db2.gz VHSRXDPQJAHVAI-FQEVSTJZSA-N 1 2 357.429 2.798 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001138123998 1033801544 /nfs/dbraw/zinc/80/15/44/1033801544.db2.gz VHSRXDPQJAHVAI-FQEVSTJZSA-N 1 2 357.429 2.798 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968048 1033866340 /nfs/dbraw/zinc/86/63/40/1033866340.db2.gz XKHPPFVJJGVXTR-KZULUSFZSA-N 1 2 370.852 2.787 20 10 FFCDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)[C@@H]1C ZINC001139127056 1034956100 /nfs/dbraw/zinc/95/61/00/1034956100.db2.gz CWCBTGSFVHOCFK-HIFRSBDPSA-N 1 2 359.422 2.971 20 10 FFCDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)[C@@H]1C ZINC001139127056 1034956102 /nfs/dbraw/zinc/95/61/02/1034956102.db2.gz CWCBTGSFVHOCFK-HIFRSBDPSA-N 1 2 359.422 2.971 20 10 FFCDLO CCN1CC2(CC1=O)CC[NH+](Cc1c(O)ccc3c(C)cc(=O)oc31)CC2 ZINC001139133266 1034962760 /nfs/dbraw/zinc/96/27/60/1034962760.db2.gz GSKCENYQRFPGGN-UHFFFAOYSA-N 1 2 370.449 2.641 20 10 FFCDLO COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3c(F)ccc(F)c3O)CC2)C1 ZINC001139686891 1035197941 /nfs/dbraw/zinc/19/79/41/1035197941.db2.gz IAJLAXCFKAXRRZ-ZDUSSCGKSA-N 1 2 368.424 2.520 20 10 FFCDLO COC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3c(F)ccc(F)c3O)CC2)C1 ZINC001139686891 1035197945 /nfs/dbraw/zinc/19/79/45/1035197945.db2.gz IAJLAXCFKAXRRZ-ZDUSSCGKSA-N 1 2 368.424 2.520 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3ccc(OC)nc3OC)CC2)cc1 ZINC001139924188 1035277632 /nfs/dbraw/zinc/27/76/32/1035277632.db2.gz MQFUIBWTCHUNCE-UHFFFAOYSA-N 1 2 357.454 2.820 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)nc3OC)CC2)c(C)c1 ZINC001139924037 1035278030 /nfs/dbraw/zinc/27/80/30/1035278030.db2.gz KRMICADZCUFKFW-UHFFFAOYSA-N 1 2 357.454 2.738 20 10 FFCDLO Oc1cccc(Cl)c1C[N@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001140340529 1035444528 /nfs/dbraw/zinc/44/45/28/1035444528.db2.gz XYWJMLCIFMRRLF-CQSZACIVSA-N 1 2 357.845 2.771 20 10 FFCDLO Oc1cccc(Cl)c1C[N@@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001140340529 1035444531 /nfs/dbraw/zinc/44/45/31/1035444531.db2.gz XYWJMLCIFMRRLF-CQSZACIVSA-N 1 2 357.845 2.771 20 10 FFCDLO CCOCc1ncn2c1C[N@H+](Cc1cc(Cl)c(O)cc1O)CCC2 ZINC001232259592 1035531588 /nfs/dbraw/zinc/53/15/88/1035531588.db2.gz GATRCUFPDONYAX-UHFFFAOYSA-N 1 2 351.834 2.890 20 10 FFCDLO CCOCc1ncn2c1C[N@@H+](Cc1cc(Cl)c(O)cc1O)CCC2 ZINC001232259592 1035531602 /nfs/dbraw/zinc/53/16/02/1035531602.db2.gz GATRCUFPDONYAX-UHFFFAOYSA-N 1 2 351.834 2.890 20 10 FFCDLO Oc1cc(O)c(CN2CC[NH+](CCOc3ccccc3)CC2)cc1Cl ZINC001232261777 1035533654 /nfs/dbraw/zinc/53/36/54/1035533654.db2.gz PCMAAPYDJLRIFE-UHFFFAOYSA-N 1 2 362.857 2.948 20 10 FFCDLO O=c1ccc2c(n1CC1CC1)CC[N@H+](Cc1c(O)cc(F)cc1F)CC2 ZINC001140581191 1035662164 /nfs/dbraw/zinc/66/21/64/1035662164.db2.gz RQGXVMBTUPGPQL-UHFFFAOYSA-N 1 2 360.404 2.843 20 10 FFCDLO O=c1ccc2c(n1CC1CC1)CC[N@@H+](Cc1c(O)cc(F)cc1F)CC2 ZINC001140581191 1035662172 /nfs/dbraw/zinc/66/21/72/1035662172.db2.gz RQGXVMBTUPGPQL-UHFFFAOYSA-N 1 2 360.404 2.843 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232705 1035681261 /nfs/dbraw/zinc/68/12/61/1035681261.db2.gz XNKQDVKOEHETRS-SCLBCKFNSA-N 1 2 352.862 2.647 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232705 1035681268 /nfs/dbraw/zinc/68/12/68/1035681268.db2.gz XNKQDVKOEHETRS-SCLBCKFNSA-N 1 2 352.862 2.647 20 10 FFCDLO CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001277232749 1035681868 /nfs/dbraw/zinc/68/18/68/1035681868.db2.gz ZCYIWNRNPMJAAE-ZDUSSCGKSA-N 1 2 364.873 2.838 20 10 FFCDLO COc1cncc(OC)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001232504371 1035753349 /nfs/dbraw/zinc/75/33/49/1035753349.db2.gz NDVCWZCYVCLEDH-UHFFFAOYSA-N 1 2 357.454 2.567 20 10 FFCDLO COc1cncc(OC)c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001232504371 1035753359 /nfs/dbraw/zinc/75/33/59/1035753359.db2.gz NDVCWZCYVCLEDH-UHFFFAOYSA-N 1 2 357.454 2.567 20 10 FFCDLO CC(=O)N(C)C1CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233030371 1036269777 /nfs/dbraw/zinc/26/97/77/1036269777.db2.gz QTIHJYNIIXDAGJ-UHFFFAOYSA-N 1 2 359.239 2.737 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+]2CC(=O)NC3(CCCC3)C2)c1O ZINC001233110668 1036354507 /nfs/dbraw/zinc/35/45/07/1036354507.db2.gz HUQOKVODWBJIFF-UHFFFAOYSA-N 1 2 353.260 2.708 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+]2CC(=O)NC3(CCCC3)C2)c1O ZINC001233110668 1036354525 /nfs/dbraw/zinc/35/45/25/1036354525.db2.gz HUQOKVODWBJIFF-UHFFFAOYSA-N 1 2 353.260 2.708 20 10 FFCDLO CCCCN1C[C@@]2(F)C[N@H+](Cc3ccc(CC)cc3O)C[C@@]2(F)C1=O ZINC001277827679 1036893453 /nfs/dbraw/zinc/89/34/53/1036893453.db2.gz XVTMATHUICYJDG-RBUKOAKNSA-N 1 2 352.425 2.829 20 10 FFCDLO CCCCN1C[C@@]2(F)C[N@@H+](Cc3ccc(CC)cc3O)C[C@@]2(F)C1=O ZINC001277827679 1036893474 /nfs/dbraw/zinc/89/34/74/1036893474.db2.gz XVTMATHUICYJDG-RBUKOAKNSA-N 1 2 352.425 2.829 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(F)C[N@H+](Cc3c(C)cc(OC)cc3O)C[C@@]2(F)C1=O ZINC001277833246 1036930687 /nfs/dbraw/zinc/93/06/87/1036930687.db2.gz FIQPQQZVPANOFJ-FASAQXTFSA-N 1 2 368.424 2.582 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(F)C[N@@H+](Cc3c(C)cc(OC)cc3O)C[C@@]2(F)C1=O ZINC001277833246 1036930696 /nfs/dbraw/zinc/93/06/96/1036930696.db2.gz FIQPQQZVPANOFJ-FASAQXTFSA-N 1 2 368.424 2.582 20 10 FFCDLO Oc1c(Br)cc(F)cc1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001235301741 1037461521 /nfs/dbraw/zinc/46/15/21/1037461521.db2.gz GOKJBWBFXFJHJS-UHFFFAOYSA-N 1 2 361.230 2.912 20 10 FFCDLO CN(C)C(=O)CN1CCC2(CCC[N@@H+]2Cc2cccc(Cl)c2O)CC1 ZINC001231911773 1038005920 /nfs/dbraw/zinc/00/59/20/1038005920.db2.gz PWHCYHITGVEAGC-UHFFFAOYSA-N 1 2 365.905 2.564 20 10 FFCDLO CN(C)C(=O)CN1CCC2(CCC[N@H+]2Cc2cccc(Cl)c2O)CC1 ZINC001231911773 1038005942 /nfs/dbraw/zinc/00/59/42/1038005942.db2.gz PWHCYHITGVEAGC-UHFFFAOYSA-N 1 2 365.905 2.564 20 10 FFCDLO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1cccc(Cl)c1O ZINC001231914893 1038012709 /nfs/dbraw/zinc/01/27/09/1038012709.db2.gz VMNMUSSVWCSNKE-UHFFFAOYSA-N 1 2 357.834 2.754 20 10 FFCDLO CCOc1ccc(N2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)cc1 ZINC001277996967 1038188759 /nfs/dbraw/zinc/18/87/59/1038188759.db2.gz QOCBQWQKPOLSON-HXUWFJFHSA-N 1 2 354.454 2.553 20 10 FFCDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c(O)c1Cl ZINC001236804906 1038279521 /nfs/dbraw/zinc/27/95/21/1038279521.db2.gz SVWOKEJQYWNXNW-ZSOGYDGISA-N 1 2 364.873 2.791 20 10 FFCDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c(O)c1Cl ZINC001236804906 1038279534 /nfs/dbraw/zinc/27/95/34/1038279534.db2.gz SVWOKEJQYWNXNW-ZSOGYDGISA-N 1 2 364.873 2.791 20 10 FFCDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1Cl ZINC001236922709 1038356153 /nfs/dbraw/zinc/35/61/53/1038356153.db2.gz RYUVVZBISHAXGI-JWTNVVGKSA-N 1 2 366.889 2.555 20 10 FFCDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1Cl ZINC001236922709 1038356167 /nfs/dbraw/zinc/35/61/67/1038356167.db2.gz RYUVVZBISHAXGI-JWTNVVGKSA-N 1 2 366.889 2.555 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)Cc2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC001236966330 1038386960 /nfs/dbraw/zinc/38/69/60/1038386960.db2.gz KVEYFLSTSVNPAM-UHFFFAOYSA-N 1 2 350.459 2.927 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC001236966330 1038386972 /nfs/dbraw/zinc/38/69/72/1038386972.db2.gz KVEYFLSTSVNPAM-UHFFFAOYSA-N 1 2 350.459 2.927 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1)C1CCOCC1 ZINC001237125346 1038450937 /nfs/dbraw/zinc/45/09/37/1038450937.db2.gz CTDJKYHETWJKJR-CYBMUJFWSA-N 1 2 370.852 2.692 20 10 FFCDLO COc1cccc(-c2nnc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)o2)c1 ZINC001253356487 1040129242 /nfs/dbraw/zinc/12/92/42/1040129242.db2.gz LXNNUHSOVUMCNU-UHFFFAOYSA-N 1 2 367.405 2.950 20 10 FFCDLO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001249214683 1040629270 /nfs/dbraw/zinc/62/92/70/1040629270.db2.gz QFTSBNFOYLJDSK-INIZCTEOSA-N 1 2 364.442 2.506 20 10 FFCDLO COC(=O)Cc1ccc(C[N@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001249214683 1040629277 /nfs/dbraw/zinc/62/92/77/1040629277.db2.gz QFTSBNFOYLJDSK-INIZCTEOSA-N 1 2 364.442 2.506 20 10 FFCDLO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1O ZINC001278568606 1041202873 /nfs/dbraw/zinc/20/28/73/1041202873.db2.gz BVUXWWAQAGYIKO-TXEJJXNPSA-N 1 2 363.767 2.576 20 10 FFCDLO COc1ccc(O)c(CN2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1 ZINC001278571038 1041214194 /nfs/dbraw/zinc/21/41/94/1041214194.db2.gz OFPLUNGYBAZGQO-IYBDPMFKSA-N 1 2 374.403 2.628 20 10 FFCDLO COc1ccc(O)c(CN2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)c1 ZINC001278571038 1041214212 /nfs/dbraw/zinc/21/42/12/1041214212.db2.gz OFPLUNGYBAZGQO-IYBDPMFKSA-N 1 2 374.403 2.628 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3n[nH]c4cc(OC)ccc43)CC2)cc1 ZINC001237395272 1043136573 /nfs/dbraw/zinc/13/65/73/1043136573.db2.gz GIECKDXOHRZQJE-UHFFFAOYSA-N 1 2 352.438 2.902 20 10 FFCDLO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4cc(Cl)cc(F)c4O)C[C@H]3O2)n1 ZINC001237618180 1043275297 /nfs/dbraw/zinc/27/52/97/1043275297.db2.gz GDFNDDSNJQOJHF-VZJVUDMVSA-N 1 2 367.808 2.708 20 10 FFCDLO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)cc(F)c4O)C[C@H]3O2)n1 ZINC001237618180 1043275303 /nfs/dbraw/zinc/27/53/03/1043275303.db2.gz GDFNDDSNJQOJHF-VZJVUDMVSA-N 1 2 367.808 2.708 20 10 FFCDLO COc1cc(C[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)c(O)c(OC)c1 ZINC001237676421 1043305830 /nfs/dbraw/zinc/30/58/30/1043305830.db2.gz NPNRRGJOCDFJSX-UHFFFAOYSA-N 1 2 370.449 2.676 20 10 FFCDLO COCC[N@H+](Cc1cc(F)cc(Cl)c1O)C1CCN(C(C)=O)CC1 ZINC001237813566 1043375647 /nfs/dbraw/zinc/37/56/47/1043375647.db2.gz LTCJBHYSUNHRHN-UHFFFAOYSA-N 1 2 358.841 2.644 20 10 FFCDLO COCC[N@@H+](Cc1cc(F)cc(Cl)c1O)C1CCN(C(C)=O)CC1 ZINC001237813566 1043375654 /nfs/dbraw/zinc/37/56/54/1043375654.db2.gz LTCJBHYSUNHRHN-UHFFFAOYSA-N 1 2 358.841 2.644 20 10 FFCDLO Oc1cc(Cl)c(Cl)cc1CN1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001279665492 1043430256 /nfs/dbraw/zinc/43/02/56/1043430256.db2.gz OUEVHESCHLXFFZ-UHFFFAOYSA-N 1 2 367.280 2.713 20 10 FFCDLO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)n1 ZINC001237941447 1043446658 /nfs/dbraw/zinc/44/66/58/1043446658.db2.gz WBFPIGQGPKKWMX-LBPRGKRZSA-N 1 2 367.808 2.945 20 10 FFCDLO COc1cc(C)nc(O[C@H]2CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)n1 ZINC001237941447 1043446659 /nfs/dbraw/zinc/44/66/59/1043446659.db2.gz WBFPIGQGPKKWMX-LBPRGKRZSA-N 1 2 367.808 2.945 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237949336 1043450836 /nfs/dbraw/zinc/45/08/36/1043450836.db2.gz JZIXUDSTTJPKHF-ZIAGYGMSSA-N 1 2 374.840 2.645 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001237949336 1043450840 /nfs/dbraw/zinc/45/08/40/1043450840.db2.gz JZIXUDSTTJPKHF-ZIAGYGMSSA-N 1 2 374.840 2.645 20 10 FFCDLO C[C@H]([C@H](C)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[NH+]1CCOCC1 ZINC001311912323 1044001452 /nfs/dbraw/zinc/00/14/52/1044001452.db2.gz AFMPIRWZLQLGLR-ZWKOTPCHSA-N 1 2 374.529 2.537 20 10 FFCDLO NC(=O)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000725845002 1044672874 /nfs/dbraw/zinc/67/28/74/1044672874.db2.gz FWDUIYSNNLNPQR-IBGZPJMESA-N 1 2 368.437 2.901 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC001322873214 1046256567 /nfs/dbraw/zinc/25/65/67/1046256567.db2.gz ZOGXKFOIQORBQQ-YLJYHZDGSA-N 1 2 359.514 2.902 20 10 FFCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1cccc(F)c1 ZINC001340930526 1051260589 /nfs/dbraw/zinc/26/05/89/1051260589.db2.gz SFAPOEASQNTTGZ-KRWDZBQOSA-N 1 2 367.804 2.893 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1cccc(F)c1 ZINC001340930526 1051260601 /nfs/dbraw/zinc/26/06/01/1051260601.db2.gz SFAPOEASQNTTGZ-KRWDZBQOSA-N 1 2 367.804 2.893 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001300610065 1058988561 /nfs/dbraw/zinc/98/85/61/1058988561.db2.gz DZBNTWLSITYMTP-JKSUJKDBSA-N 1 2 361.511 2.995 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001300610065 1058988586 /nfs/dbraw/zinc/98/85/86/1058988586.db2.gz DZBNTWLSITYMTP-JKSUJKDBSA-N 1 2 361.511 2.995 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCc3cccc(NC(C)=O)c3C2)ccc1[N+](=O)[O-] ZINC001462507890 1061650815 /nfs/dbraw/zinc/65/08/15/1061650815.db2.gz WEPVAHPPIBMPNM-UHFFFAOYSA-N 1 2 371.393 2.826 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCc3cccc(NC(C)=O)c3C2)ccc1[N+](=O)[O-] ZINC001462507890 1061650825 /nfs/dbraw/zinc/65/08/25/1061650825.db2.gz WEPVAHPPIBMPNM-UHFFFAOYSA-N 1 2 371.393 2.826 20 10 FFCDLO NS(=O)(=O)c1cc2c(s1)CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC001560939881 1076312096 /nfs/dbraw/zinc/31/20/96/1076312096.db2.gz UZAWXENQKLBWAW-UHFFFAOYSA-N 1 2 374.487 2.813 20 10 FFCDLO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001560939881 1076312099 /nfs/dbraw/zinc/31/20/99/1076312099.db2.gz UZAWXENQKLBWAW-UHFFFAOYSA-N 1 2 374.487 2.813 20 10 FFCDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000368911679 512132220 /nfs/dbraw/zinc/13/22/20/512132220.db2.gz ALUXSYYXFOFTBY-GOSISDBHSA-N 1 2 365.481 2.886 20 10 FFCDLO CN(Cc1ccccc1O)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000045184164 506928025 /nfs/dbraw/zinc/92/80/25/506928025.db2.gz WLIYZMZPGTUXKO-LJQANCHMSA-N 1 2 369.465 2.607 20 10 FFCDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)C1CCN(S(C)(=O)=O)CC1 ZINC000091963877 508028331 /nfs/dbraw/zinc/02/83/31/508028331.db2.gz PQLQYNDCDOLJBY-UHFFFAOYSA-N 1 2 367.298 2.555 20 10 FFCDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1O)C1CCN(S(C)(=O)=O)CC1 ZINC000091963877 508028328 /nfs/dbraw/zinc/02/83/28/508028328.db2.gz PQLQYNDCDOLJBY-UHFFFAOYSA-N 1 2 367.298 2.555 20 10 FFCDLO Cc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C)n1-c1ccccn1 ZINC000152668696 508490465 /nfs/dbraw/zinc/49/04/65/508490465.db2.gz MHQKTZKRFBPLTE-QGZVFWFLSA-N 1 2 361.449 2.893 20 10 FFCDLO COc1ccc([NH+]2CCC(Nc3ccc(CNC(N)=O)cc3)CC2)cc1 ZINC000364675603 511013098 /nfs/dbraw/zinc/01/30/98/511013098.db2.gz LAVPIUDSUIYDPO-UHFFFAOYSA-N 1 2 354.454 2.944 20 10 FFCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000279289453 511032747 /nfs/dbraw/zinc/03/27/47/511032747.db2.gz XWWZBOMAWYHOBQ-GOSISDBHSA-N 1 2 356.470 2.616 20 10 FFCDLO CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cc(Cl)cc(Cl)c1O ZINC000287544064 511053091 /nfs/dbraw/zinc/05/30/91/511053091.db2.gz FFNDUABBLIGILX-GFCCVEGCSA-N 1 2 355.287 2.679 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc(C4OCCO4)s3)CC2)cc1 ZINC000289062818 511093014 /nfs/dbraw/zinc/09/30/14/511093014.db2.gz JGWBGGSZIYSLTN-UHFFFAOYSA-N 1 2 361.467 2.519 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1F ZINC000271180159 511109926 /nfs/dbraw/zinc/10/99/26/511109926.db2.gz HLTDTWWQRUNXDL-UHFFFAOYSA-N 1 2 350.459 2.927 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1F ZINC000271180159 511109931 /nfs/dbraw/zinc/10/99/31/511109931.db2.gz HLTDTWWQRUNXDL-UHFFFAOYSA-N 1 2 350.459 2.927 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000283179726 511266603 /nfs/dbraw/zinc/26/66/03/511266603.db2.gz JSSADWAGWAAMKB-UHFFFAOYSA-N 1 2 361.486 2.569 20 10 FFCDLO C[N@H+](CCCO)Cc1cc(Br)cc(Br)c1O ZINC000281800457 511972201 /nfs/dbraw/zinc/97/22/01/511972201.db2.gz OZBAFCUOHSZJET-UHFFFAOYSA-N 1 2 353.054 2.731 20 10 FFCDLO C[N@@H+](CCCO)Cc1cc(Br)cc(Br)c1O ZINC000281800457 511972208 /nfs/dbraw/zinc/97/22/08/511972208.db2.gz OZBAFCUOHSZJET-UHFFFAOYSA-N 1 2 353.054 2.731 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1O ZINC000367660171 512604422 /nfs/dbraw/zinc/60/44/22/512604422.db2.gz YOVPSLVJHAZKIX-MRXNPFEDSA-N 1 2 372.259 2.545 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1O ZINC000367660171 512604424 /nfs/dbraw/zinc/60/44/24/512604424.db2.gz YOVPSLVJHAZKIX-MRXNPFEDSA-N 1 2 372.259 2.545 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000527452256 517685002 /nfs/dbraw/zinc/68/50/02/517685002.db2.gz PYXWKGOYHBMTBQ-MRXNPFEDSA-N 1 2 363.465 2.960 20 10 FFCDLO Cc1c[nH+]c(C)nc1N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000572662218 518299535 /nfs/dbraw/zinc/29/95/35/518299535.db2.gz CLKASKHLAFGDQW-UHFFFAOYSA-N 1 2 362.433 2.916 20 10 FFCDLO C[C@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)[NH+]1CCSCC1 ZINC000124157395 728667369 /nfs/dbraw/zinc/66/73/69/728667369.db2.gz OYVBSHOFRFUTTL-OAHLLOKOSA-N 1 2 360.479 2.951 20 10 FFCDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC000876753078 732276860 /nfs/dbraw/zinc/27/68/60/732276860.db2.gz IDJUTOYTICGQCL-NSHDSACASA-N 1 2 350.325 2.660 20 10 FFCDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC000876753078 732276863 /nfs/dbraw/zinc/27/68/63/732276863.db2.gz IDJUTOYTICGQCL-NSHDSACASA-N 1 2 350.325 2.660 20 10 FFCDLO CCOC(=O)[C@]1(C[NH2+]Cc2cccc(Br)c2O)CCCOC1 ZINC000877698996 732416276 /nfs/dbraw/zinc/41/62/76/732416276.db2.gz UFTVXHQTZXNDDX-INIZCTEOSA-N 1 2 372.259 2.604 20 10 FFCDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781908414 738670545 /nfs/dbraw/zinc/67/05/45/738670545.db2.gz ISKNRTDUTLDHEG-NSHDSACASA-N 1 2 364.305 2.718 20 10 FFCDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781908414 738670549 /nfs/dbraw/zinc/67/05/49/738670549.db2.gz ISKNRTDUTLDHEG-NSHDSACASA-N 1 2 364.305 2.718 20 10 FFCDLO Cc1nn(C)c(C)c1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882883681 733307419 /nfs/dbraw/zinc/30/74/19/733307419.db2.gz HZHPLADKRCXEOG-UHFFFAOYSA-N 1 2 356.239 2.976 20 10 FFCDLO COC(=O)N1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882920140 733311151 /nfs/dbraw/zinc/31/11/51/733311151.db2.gz BMIWWUQFGVGBIN-UHFFFAOYSA-N 1 2 361.211 2.614 20 10 FFCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@@H]1CN(C)CCO1 ZINC000883051439 733326346 /nfs/dbraw/zinc/32/63/46/733326346.db2.gz BKRVFMHHUINEHS-ZANVPECISA-N 1 2 363.683 2.617 20 10 FFCDLO CNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708211649 734362865 /nfs/dbraw/zinc/36/28/65/734362865.db2.gz OBRQLZPGRDNMRP-UHFFFAOYSA-N 1 2 361.667 2.766 20 10 FFCDLO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCn2cc[nH+]c2)cc1 ZINC000731989902 734711192 /nfs/dbraw/zinc/71/11/92/734711192.db2.gz ZYQJMUHOBRVUKH-UHFFFAOYSA-N 1 2 354.376 2.930 20 10 FFCDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCCSc2nccs2)[nH]n1 ZINC000896334336 735140326 /nfs/dbraw/zinc/14/03/26/735140326.db2.gz MCRLPXSTVVCJMR-ZDUSSCGKSA-N 1 2 351.501 2.545 20 10 FFCDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCCSc2nccs2)[nH]n1 ZINC000896334336 735140329 /nfs/dbraw/zinc/14/03/29/735140329.db2.gz MCRLPXSTVVCJMR-ZDUSSCGKSA-N 1 2 351.501 2.545 20 10 FFCDLO COCCCN(C)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756613012 736347115 /nfs/dbraw/zinc/34/71/15/736347115.db2.gz NGNUVXAWFSANAU-LLVKDONJSA-N 1 2 363.271 2.913 20 10 FFCDLO CCc1nncn1CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756620552 736347801 /nfs/dbraw/zinc/34/78/01/736347801.db2.gz KWTLBSFWKOCSKX-SECBINFHSA-N 1 2 357.227 2.799 20 10 FFCDLO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756654619 736349995 /nfs/dbraw/zinc/34/99/95/736349995.db2.gz LJZYLQHSYBRHFC-ZJUUUORDSA-N 1 2 359.239 2.955 20 10 FFCDLO CC(C)N1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000756739808 736357203 /nfs/dbraw/zinc/35/72/03/736357203.db2.gz ZEEOUTPMACHOHN-MWLCHTKSSA-N 1 2 359.239 2.954 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000767188401 737299933 /nfs/dbraw/zinc/29/99/33/737299933.db2.gz JBSUFQJIQMZUQX-UHFFFAOYSA-N 1 2 354.273 2.789 20 10 FFCDLO c1cc(C[NH+]2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cs1 ZINC000768208179 737406819 /nfs/dbraw/zinc/40/68/19/737406819.db2.gz OUOWURBXHKYTNC-UHFFFAOYSA-N 1 2 357.523 2.903 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ncccc1O ZINC000771060766 737690468 /nfs/dbraw/zinc/69/04/68/737690468.db2.gz YOTLGOFMFBGKDL-CQSZACIVSA-N 1 2 361.829 2.541 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ncccc1O ZINC000771060766 737690469 /nfs/dbraw/zinc/69/04/69/737690469.db2.gz YOTLGOFMFBGKDL-CQSZACIVSA-N 1 2 361.829 2.541 20 10 FFCDLO COc1c(O)c(C[NH2+]Cc2cn3cc(Cl)ccc3n2)ccc1[N+](=O)[O-] ZINC000774966198 738045866 /nfs/dbraw/zinc/04/58/66/738045866.db2.gz XEUUTCANGPRXKF-UHFFFAOYSA-N 1 2 362.773 2.900 20 10 FFCDLO COc1c(O)c(C[NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974120 738046887 /nfs/dbraw/zinc/04/68/87/738046887.db2.gz JCZJDKRUMBNBJC-HZSPNIEDSA-N 1 2 351.447 2.765 20 10 FFCDLO COc1c(O)c(CN[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974120 738046891 /nfs/dbraw/zinc/04/68/91/738046891.db2.gz JCZJDKRUMBNBJC-HZSPNIEDSA-N 1 2 351.447 2.765 20 10 FFCDLO COc1c(O)c(CN[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974120 738046895 /nfs/dbraw/zinc/04/68/95/738046895.db2.gz JCZJDKRUMBNBJC-HZSPNIEDSA-N 1 2 351.447 2.765 20 10 FFCDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775740012 738120043 /nfs/dbraw/zinc/12/00/43/738120043.db2.gz JJQOWPQIROAVBC-AWEZNQCLSA-N 1 2 374.275 2.862 20 10 FFCDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000775740012 738120045 /nfs/dbraw/zinc/12/00/45/738120045.db2.gz JJQOWPQIROAVBC-AWEZNQCLSA-N 1 2 374.275 2.862 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc(Br)c(F)cc1O ZINC000795826915 740068142 /nfs/dbraw/zinc/06/81/42/740068142.db2.gz CQDQMTDHRMFVST-DCAQKATOSA-N 1 2 362.239 2.589 20 10 FFCDLO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000798963600 740377858 /nfs/dbraw/zinc/37/78/58/740377858.db2.gz HVTLREPMCBQBPH-KRWDZBQOSA-N 1 2 359.825 2.976 20 10 FFCDLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000798963600 740377866 /nfs/dbraw/zinc/37/78/66/740377866.db2.gz HVTLREPMCBQBPH-KRWDZBQOSA-N 1 2 359.825 2.976 20 10 FFCDLO C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cc(F)cc(F)c1O ZINC000800504966 740529508 /nfs/dbraw/zinc/52/95/08/740529508.db2.gz QUTVLQKQQAKOBG-ZDUSSCGKSA-N 1 2 369.433 2.979 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000809711105 741335358 /nfs/dbraw/zinc/33/53/58/741335358.db2.gz JWEQWYVWGMBTMU-LBPRGKRZSA-N 1 2 356.747 2.537 20 10 FFCDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000820361281 742496093 /nfs/dbraw/zinc/49/60/93/742496093.db2.gz LFVQQFYWXVPQRS-UHFFFAOYSA-N 1 2 353.373 2.651 20 10 FFCDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000820361281 742496095 /nfs/dbraw/zinc/49/60/95/742496095.db2.gz LFVQQFYWXVPQRS-UHFFFAOYSA-N 1 2 353.373 2.651 20 10 FFCDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1cc(Br)ccc1O ZINC000822534712 742749453 /nfs/dbraw/zinc/74/94/53/742749453.db2.gz UPSZRLHCMLLSMO-UHFFFAOYSA-N 1 2 369.215 2.954 20 10 FFCDLO Cc1nccnc1N1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000825773790 743325713 /nfs/dbraw/zinc/32/57/13/743325713.db2.gz PMFMLQWCZJODBV-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO COc1cccc(O)c1C[NH+]1CC(O)(c2ccc(Br)cc2)C1 ZINC000827757536 744972300 /nfs/dbraw/zinc/97/23/00/744972300.db2.gz DIBXUKFKKGTJCA-UHFFFAOYSA-N 1 2 364.239 2.867 20 10 FFCDLO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000834880979 745918232 /nfs/dbraw/zinc/91/82/32/745918232.db2.gz WNIOAXNJOPYRAP-FEUHOPSXSA-N 1 2 362.239 2.996 20 10 FFCDLO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000834880981 745918684 /nfs/dbraw/zinc/91/86/84/745918684.db2.gz WNIOAXNJOPYRAP-IQMDTDKHSA-N 1 2 362.239 2.996 20 10 FFCDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCCSc3nccs3)[nH+]cn2)C1 ZINC000840259424 747050723 /nfs/dbraw/zinc/05/07/23/747050723.db2.gz DPAXTSACUGCSPF-QWHCGFSZSA-N 1 2 365.528 2.735 20 10 FFCDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCCSc3nccs3)nc[nH+]2)C1 ZINC000840259424 747050731 /nfs/dbraw/zinc/05/07/31/747050731.db2.gz DPAXTSACUGCSPF-QWHCGFSZSA-N 1 2 365.528 2.735 20 10 FFCDLO C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)C1 ZINC000841890944 747482721 /nfs/dbraw/zinc/48/27/21/747482721.db2.gz HCRDUUCHPMZIBP-WVSHTKLVSA-N 1 2 365.065 2.920 20 10 FFCDLO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cc(Br)cc(F)c1O ZINC000842903521 747717033 /nfs/dbraw/zinc/71/70/33/747717033.db2.gz QLMJXSBIFPYZQK-SECBINFHSA-N 1 2 357.227 2.706 20 10 FFCDLO CCOc1ccc(O)c(C[NH2+][C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c1 ZINC000846110680 748408836 /nfs/dbraw/zinc/40/88/36/748408836.db2.gz YYDRUPKGZVVXEZ-SIIHOXLZSA-N 1 2 351.443 2.627 20 10 FFCDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H]1CCC[C@@H](OC)C1 ZINC000846108585 748409074 /nfs/dbraw/zinc/40/90/74/748409074.db2.gz PCWKDDUMVRPTBC-SGIREYDYSA-N 1 2 371.861 2.891 20 10 FFCDLO CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1=O ZINC000846208826 748430998 /nfs/dbraw/zinc/43/09/98/748430998.db2.gz MEBXEQKSMAFUFC-VHSXEESVSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)cc(F)c1O ZINC000846212156 748431654 /nfs/dbraw/zinc/43/16/54/748431654.db2.gz LAFZUYZTXUQCFW-BMIGLBTASA-N 1 2 362.239 2.876 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)c(F)cc1O ZINC000848564227 748961395 /nfs/dbraw/zinc/96/13/95/748961395.db2.gz JYYANMHMDLCFMI-DTWKUNHWSA-N 1 2 369.238 2.630 20 10 FFCDLO COC[C@@H](CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O)OC ZINC000850485632 749372166 /nfs/dbraw/zinc/37/21/66/749372166.db2.gz MFHNZLGRYBWHFF-NXEZZACHSA-N 1 2 350.228 2.996 20 10 FFCDLO COc1cc(Cl)cc(C[NH2+]Cc2nn(C)cc2Br)c1O ZINC000393356051 845858664 /nfs/dbraw/zinc/85/86/64/845858664.db2.gz TVUXWPGYJFSUNJ-UHFFFAOYSA-N 1 2 360.639 2.840 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+]3CCC[C@H](O)C3)c2C)cc1 ZINC000066862978 972529396 /nfs/dbraw/zinc/52/93/96/972529396.db2.gz QFZZMLGWALWVHF-SFHVURJKSA-N 1 2 370.449 2.520 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+]3CCC[C@H](O)C3)c2C)cc1 ZINC000066862978 972529401 /nfs/dbraw/zinc/52/94/01/972529401.db2.gz QFZZMLGWALWVHF-SFHVURJKSA-N 1 2 370.449 2.520 20 10 FFCDLO CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)c(O)c(F)c2)[NH+](C)C)cc1 ZINC000891249121 962592879 /nfs/dbraw/zinc/59/28/79/962592879.db2.gz QDWBJLKTYRCIFN-QGZVFWFLSA-N 1 2 363.408 2.769 20 10 FFCDLO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c1OC ZINC000891584752 964518480 /nfs/dbraw/zinc/51/84/80/964518480.db2.gz VCJJZXIMPUJHFW-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)C2=CCC[N@@H+](C)C2)cc1 ZINC001175578329 1013515164 /nfs/dbraw/zinc/51/51/64/1013515164.db2.gz DFFVWXXPVBHGHV-UHFFFAOYSA-N 1 2 357.479 2.992 20 10 FFCDLO Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)C2=CCC[N@H+](C)C2)cc1 ZINC001175578329 1013515169 /nfs/dbraw/zinc/51/51/69/1013515169.db2.gz DFFVWXXPVBHGHV-UHFFFAOYSA-N 1 2 357.479 2.992 20 10 FFCDLO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(O)[nH]c(=O)c1)C2 ZINC001271799907 974343593 /nfs/dbraw/zinc/34/35/93/974343593.db2.gz YZJFHAOUDAUPGI-INMHGKMJSA-N 1 2 361.486 2.856 20 10 FFCDLO CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(O)[nH]c(=O)c1)C2 ZINC001271799907 974343597 /nfs/dbraw/zinc/34/35/97/974343597.db2.gz YZJFHAOUDAUPGI-INMHGKMJSA-N 1 2 361.486 2.856 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CCn3c[nH+]cc3C2)CCCC1 ZINC000652243649 974742089 /nfs/dbraw/zinc/74/20/89/974742089.db2.gz BTPCWIQEOVRPDF-UHFFFAOYSA-N 1 2 364.449 2.768 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000091898437 976837107 /nfs/dbraw/zinc/83/71/07/976837107.db2.gz FEGIQOTWGNMDQG-UHFFFAOYSA-N 1 2 355.457 2.908 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000091898437 976837115 /nfs/dbraw/zinc/83/71/15/976837115.db2.gz FEGIQOTWGNMDQG-UHFFFAOYSA-N 1 2 355.457 2.908 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000729385045 978269449 /nfs/dbraw/zinc/26/94/49/978269449.db2.gz LSRYSBBODNUFKF-QGZVFWFLSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000729385045 978269454 /nfs/dbraw/zinc/26/94/54/978269454.db2.gz LSRYSBBODNUFKF-QGZVFWFLSA-N 1 2 355.482 2.853 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccc2nccnc2c1)Cc1ccccc1O ZINC000877599077 1014639707 /nfs/dbraw/zinc/63/97/07/1014639707.db2.gz PFJJCOORRVCEPZ-UHFFFAOYSA-N 1 2 351.406 2.901 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccc2nccnc2c1)Cc1ccccc1O ZINC000877599077 1014639711 /nfs/dbraw/zinc/63/97/11/1014639711.db2.gz PFJJCOORRVCEPZ-UHFFFAOYSA-N 1 2 351.406 2.901 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CC[C@H](C)O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000173570871 985896729 /nfs/dbraw/zinc/89/67/29/985896729.db2.gz SRRJAROSMGRBAH-HNNXBMFYSA-N 1 2 372.465 2.751 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CC[C@H](C)O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000173570871 985896744 /nfs/dbraw/zinc/89/67/44/985896744.db2.gz SRRJAROSMGRBAH-HNNXBMFYSA-N 1 2 372.465 2.751 20 10 FFCDLO C[NH+](C)Cc1csc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000919909638 990760734 /nfs/dbraw/zinc/76/07/34/990760734.db2.gz ULYUSXKWPLBNDA-UHFFFAOYSA-N 1 2 371.510 2.580 20 10 FFCDLO O=C1OCCN1C1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144306426 998301300 /nfs/dbraw/zinc/30/13/00/998301300.db2.gz BGUCTXIQDNJCPY-UHFFFAOYSA-N 1 2 373.222 2.710 20 10 FFCDLO Oc1cc(O)c(C[N@@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)c(O)c1 ZINC001144515397 998627092 /nfs/dbraw/zinc/62/70/92/998627092.db2.gz NAKCJWOMJUPGCG-UHFFFAOYSA-N 1 2 353.353 2.915 20 10 FFCDLO Oc1cc(O)c(C[N@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)c(O)c1 ZINC001144515397 998627097 /nfs/dbraw/zinc/62/70/97/998627097.db2.gz NAKCJWOMJUPGCG-UHFFFAOYSA-N 1 2 353.353 2.915 20 10 FFCDLO Cc1nc(N(C)C)nc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH+]1 ZINC000768521599 1000280853 /nfs/dbraw/zinc/28/08/53/1000280853.db2.gz AAKZUSAGKQEWQV-CHWSQXEVSA-N 1 2 374.464 2.611 20 10 FFCDLO COc1ccc(N2CCC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000768997343 1000414058 /nfs/dbraw/zinc/41/40/58/1000414058.db2.gz DLZXFAAJGJSCMN-UHFFFAOYSA-N 1 2 374.506 2.811 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000768997343 1000414061 /nfs/dbraw/zinc/41/40/61/1000414061.db2.gz DLZXFAAJGJSCMN-UHFFFAOYSA-N 1 2 374.506 2.811 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276192776 1016506766 /nfs/dbraw/zinc/50/67/66/1016506766.db2.gz SCWDUUQTSILJAY-YJYMSZOUSA-N 1 2 368.424 2.520 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276192776 1016506777 /nfs/dbraw/zinc/50/67/77/1016506777.db2.gz SCWDUUQTSILJAY-YJYMSZOUSA-N 1 2 368.424 2.520 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)Nc3ccsc3)cc12 ZINC001184356259 1002565185 /nfs/dbraw/zinc/56/51/85/1002565185.db2.gz DTCOVJFBXSOZMT-UHFFFAOYSA-N 1 2 358.419 2.939 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)Nc3ccsc3)cc12 ZINC001184356259 1002565198 /nfs/dbraw/zinc/56/51/98/1002565198.db2.gz DTCOVJFBXSOZMT-UHFFFAOYSA-N 1 2 358.419 2.939 20 10 FFCDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775051125 1003419440 /nfs/dbraw/zinc/41/94/40/1003419440.db2.gz MQBWOUQPFATBAK-UHFFFAOYSA-N 1 2 374.393 2.527 20 10 FFCDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775051125 1003419446 /nfs/dbraw/zinc/41/94/46/1003419446.db2.gz MQBWOUQPFATBAK-UHFFFAOYSA-N 1 2 374.393 2.527 20 10 FFCDLO COc1c(O)c(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000793620903 1003446720 /nfs/dbraw/zinc/44/67/20/1003446720.db2.gz SVUUQBQPRNOKND-QGZVFWFLSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000793620903 1003446730 /nfs/dbraw/zinc/44/67/30/1003446730.db2.gz SVUUQBQPRNOKND-QGZVFWFLSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000793620903 1003446739 /nfs/dbraw/zinc/44/67/39/1003446739.db2.gz SVUUQBQPRNOKND-QGZVFWFLSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000793620903 1003446746 /nfs/dbraw/zinc/44/67/46/1003446746.db2.gz SVUUQBQPRNOKND-QGZVFWFLSA-N 1 2 371.437 2.668 20 10 FFCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000775057891 1003465944 /nfs/dbraw/zinc/46/59/44/1003465944.db2.gz PUAXTZWNZICILE-UHFFFAOYSA-N 1 2 372.377 2.654 20 10 FFCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000775057891 1003465949 /nfs/dbraw/zinc/46/59/49/1003465949.db2.gz PUAXTZWNZICILE-UHFFFAOYSA-N 1 2 372.377 2.654 20 10 FFCDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000775638944 1004897985 /nfs/dbraw/zinc/89/79/85/1004897985.db2.gz MCMPKQVBSXMJKK-UHFFFAOYSA-N 1 2 374.506 2.824 20 10 FFCDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCCN1CC(F)(F)F ZINC001201542038 1005227858 /nfs/dbraw/zinc/22/78/58/1005227858.db2.gz MLUKSNOMKFAZPD-NSHDSACASA-N 1 2 354.731 2.828 20 10 FFCDLO O=C(C[NH+]1CCC(O)(CO)CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852499260 1006058130 /nfs/dbraw/zinc/05/81/30/1006058130.db2.gz DZGGXHKILGISDC-UHFFFAOYSA-N 1 2 368.437 2.860 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+](C)[C@@H]3CCOC3)c2C)cc1 ZINC000131553440 1006753769 /nfs/dbraw/zinc/75/37/69/1006753769.db2.gz IOWCSGKIVWBJCZ-GOSISDBHSA-N 1 2 370.449 2.784 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+](C)[C@@H]3CCOC3)c2C)cc1 ZINC000131553440 1006753773 /nfs/dbraw/zinc/75/37/73/1006753773.db2.gz IOWCSGKIVWBJCZ-GOSISDBHSA-N 1 2 370.449 2.784 20 10 FFCDLO COCCn1nnc2c1CC[N@H+](Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000816637132 1007142362 /nfs/dbraw/zinc/14/23/62/1007142362.db2.gz TWXKZIXALYKIOM-UHFFFAOYSA-N 1 2 364.449 2.855 20 10 FFCDLO COCCn1nnc2c1CC[N@@H+](Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000816637132 1007142367 /nfs/dbraw/zinc/14/23/67/1007142367.db2.gz TWXKZIXALYKIOM-UHFFFAOYSA-N 1 2 364.449 2.855 20 10 FFCDLO Cc1cc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nc(C2CC2)[nH+]1 ZINC000884693951 1007510639 /nfs/dbraw/zinc/51/06/39/1007510639.db2.gz UUHUBIFEWBFGAH-UHFFFAOYSA-N 1 2 365.481 2.976 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000114470004 1007914824 /nfs/dbraw/zinc/91/48/24/1007914824.db2.gz JROYDZAICVVAFM-HNNXBMFYSA-N 1 2 364.392 2.945 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000114470004 1007914828 /nfs/dbraw/zinc/91/48/28/1007914828.db2.gz JROYDZAICVVAFM-HNNXBMFYSA-N 1 2 364.392 2.945 20 10 FFCDLO COc1ccc(N2CC[C@@H](CNC(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC000819586412 1008184026 /nfs/dbraw/zinc/18/40/26/1008184026.db2.gz PBHNUNKBSSPUPR-HNNXBMFYSA-N 1 2 350.422 2.599 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000858513662 1008372235 /nfs/dbraw/zinc/37/22/35/1008372235.db2.gz MYJDALMKICXFDX-CQSZACIVSA-N 1 2 350.422 2.922 20 10 FFCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000823793777 1009240133 /nfs/dbraw/zinc/24/01/33/1009240133.db2.gz KCRYRRGHXWAODM-KRWDZBQOSA-N 1 2 373.453 2.768 20 10 FFCDLO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229508 1012108867 /nfs/dbraw/zinc/10/88/67/1012108867.db2.gz MTEXHHGSJTUUTE-BUXKBTBVSA-N 1 2 366.408 2.810 20 10 FFCDLO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229508 1012108882 /nfs/dbraw/zinc/10/88/82/1012108882.db2.gz MTEXHHGSJTUUTE-BUXKBTBVSA-N 1 2 366.408 2.810 20 10 FFCDLO Oc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000827657805 1018599378 /nfs/dbraw/zinc/59/93/78/1018599378.db2.gz QVRXXVFPLRNJBS-UHFFFAOYSA-N 1 2 358.413 2.763 20 10 FFCDLO Oc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000827657805 1018599382 /nfs/dbraw/zinc/59/93/82/1018599382.db2.gz QVRXXVFPLRNJBS-UHFFFAOYSA-N 1 2 358.413 2.763 20 10 FFCDLO COc1ccc(N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)c(OC)c1 ZINC000827950596 1019463850 /nfs/dbraw/zinc/46/38/50/1019463850.db2.gz RHTSQPCVWSZWKQ-UHFFFAOYSA-N 1 2 366.421 2.543 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)N[C@@](C)(C3CCCC3)C2=O)cc1 ZINC000802723838 1020350846 /nfs/dbraw/zinc/35/08/46/1020350846.db2.gz HEHTULKXJCCOIU-FQEVSTJZSA-N 1 2 358.486 2.643 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)N[C@@](C)(C3CCCC3)C2=O)cc1 ZINC000802723838 1020350857 /nfs/dbraw/zinc/35/08/57/1020350857.db2.gz HEHTULKXJCCOIU-FQEVSTJZSA-N 1 2 358.486 2.643 20 10 FFCDLO COC(=O)c1ccccc1C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001137791724 1033088164 /nfs/dbraw/zinc/08/81/64/1033088164.db2.gz UBJJALKWVOCMTJ-UHFFFAOYSA-N 1 2 370.449 2.813 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cc(O)ccc2O)Cc2ncn(CC3CC3)c21 ZINC001141157229 1025537656 /nfs/dbraw/zinc/53/76/56/1025537656.db2.gz DRXAZZAZFUMRJM-INIZCTEOSA-N 1 2 357.454 2.840 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)Cc2ncn(CC3CC3)c21 ZINC001141157229 1025537675 /nfs/dbraw/zinc/53/76/75/1025537675.db2.gz DRXAZZAZFUMRJM-INIZCTEOSA-N 1 2 357.454 2.840 20 10 FFCDLO CN(C)c1cc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)nc[nH+]1 ZINC001158869934 1027166432 /nfs/dbraw/zinc/16/64/32/1027166432.db2.gz GFFWMNKQHOCCKV-UHFFFAOYSA-N 1 2 367.375 2.768 20 10 FFCDLO CN(C)c1cc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)[nH+]cn1 ZINC001158869934 1027166440 /nfs/dbraw/zinc/16/64/40/1027166440.db2.gz GFFWMNKQHOCCKV-UHFFFAOYSA-N 1 2 367.375 2.768 20 10 FFCDLO Cc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(O)c1O ZINC000780950366 1028891746 /nfs/dbraw/zinc/89/17/46/1028891746.db2.gz AAGVUIATPZZGRK-INIZCTEOSA-N 1 2 351.406 2.854 20 10 FFCDLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328444 1031229536 /nfs/dbraw/zinc/22/95/36/1031229536.db2.gz VWMOHHLNBJKINB-QGZVFWFLSA-N 1 2 355.486 2.644 20 10 FFCDLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328444 1031229547 /nfs/dbraw/zinc/22/95/47/1031229547.db2.gz VWMOHHLNBJKINB-QGZVFWFLSA-N 1 2 355.486 2.644 20 10 FFCDLO COc1cc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc(O)c1O ZINC001204347876 1031243780 /nfs/dbraw/zinc/24/37/80/1031243780.db2.gz ZPSVBTNWOFHYFF-UHFFFAOYSA-N 1 2 369.421 2.999 20 10 FFCDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(F)c1O ZINC001276945856 1033715980 /nfs/dbraw/zinc/71/59/80/1033715980.db2.gz UVLBPWACOJZCBF-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)c(F)c1O ZINC001276945856 1033715992 /nfs/dbraw/zinc/71/59/92/1033715992.db2.gz UVLBPWACOJZCBF-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001139126421 1034957201 /nfs/dbraw/zinc/95/72/01/1034957201.db2.gz GNODEHNQSWVIBX-APPDUMDISA-N 1 2 371.355 2.942 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001139126421 1034957208 /nfs/dbraw/zinc/95/72/08/1034957208.db2.gz GNODEHNQSWVIBX-APPDUMDISA-N 1 2 371.355 2.942 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001139129332 1034958519 /nfs/dbraw/zinc/95/85/19/1034958519.db2.gz WGNPLLCHRUOOHS-HNNXBMFYSA-N 1 2 352.390 2.855 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001139129332 1034958527 /nfs/dbraw/zinc/95/85/27/1034958527.db2.gz WGNPLLCHRUOOHS-HNNXBMFYSA-N 1 2 352.390 2.855 20 10 FFCDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001140058203 1035326088 /nfs/dbraw/zinc/32/60/88/1035326088.db2.gz UDQROSSTGNXLEK-OAHLLOKOSA-N 1 2 354.422 2.599 20 10 FFCDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1O ZINC001140058203 1035326089 /nfs/dbraw/zinc/32/60/89/1035326089.db2.gz UDQROSSTGNXLEK-OAHLLOKOSA-N 1 2 354.422 2.599 20 10 FFCDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001140339314 1035443925 /nfs/dbraw/zinc/44/39/25/1035443925.db2.gz HURABGSGJIEJPT-LJQANCHMSA-N 1 2 374.872 2.707 20 10 FFCDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001140339314 1035443927 /nfs/dbraw/zinc/44/39/27/1035443927.db2.gz HURABGSGJIEJPT-LJQANCHMSA-N 1 2 374.872 2.707 20 10 FFCDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140464968 1035485104 /nfs/dbraw/zinc/48/51/04/1035485104.db2.gz GGCHDZKRBOFEPR-IBGZPJMESA-N 1 2 366.889 2.895 20 10 FFCDLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140464968 1035485109 /nfs/dbraw/zinc/48/51/09/1035485109.db2.gz GGCHDZKRBOFEPR-IBGZPJMESA-N 1 2 366.889 2.895 20 10 FFCDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464631 1035485266 /nfs/dbraw/zinc/48/52/66/1035485266.db2.gz YBCSXSBXIYKIJJ-GXTWGEPZSA-N 1 2 363.845 2.998 20 10 FFCDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464631 1035485268 /nfs/dbraw/zinc/48/52/68/1035485268.db2.gz YBCSXSBXIYKIJJ-GXTWGEPZSA-N 1 2 363.845 2.998 20 10 FFCDLO NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)cc1 ZINC001140585999 1035670815 /nfs/dbraw/zinc/67/08/15/1035670815.db2.gz ZBOONCAIUKJWJS-HNNXBMFYSA-N 1 2 362.376 2.813 20 10 FFCDLO NC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)cc1 ZINC001140585999 1035670817 /nfs/dbraw/zinc/67/08/17/1035670817.db2.gz ZBOONCAIUKJWJS-HNNXBMFYSA-N 1 2 362.376 2.813 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232677 1035681687 /nfs/dbraw/zinc/68/16/87/1035681687.db2.gz WXOGCUIWNBYXIU-AUUYWEPGSA-N 1 2 366.889 2.895 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232677 1035681693 /nfs/dbraw/zinc/68/16/93/1035681693.db2.gz WXOGCUIWNBYXIU-AUUYWEPGSA-N 1 2 366.889 2.895 20 10 FFCDLO COCCCN1CCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001277232582 1035681731 /nfs/dbraw/zinc/68/17/31/1035681731.db2.gz UURMDIDTEJGTEP-UHFFFAOYSA-N 1 2 366.889 2.897 20 10 FFCDLO NC(=O)c1ccc(OC2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)cc1 ZINC001233078625 1036325608 /nfs/dbraw/zinc/32/56/08/1036325608.db2.gz BIGJXBVYOBWODJ-UHFFFAOYSA-N 1 2 362.376 2.813 20 10 FFCDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1ccc(F)c(F)c1O ZINC001233079900 1036327753 /nfs/dbraw/zinc/32/77/53/1036327753.db2.gz MXMFMQTWGLYAHJ-KBPBESRZSA-N 1 2 372.412 2.737 20 10 FFCDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC001233079900 1036327768 /nfs/dbraw/zinc/32/77/68/1036327768.db2.gz MXMFMQTWGLYAHJ-KBPBESRZSA-N 1 2 372.412 2.737 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1O ZINC001233106391 1036354036 /nfs/dbraw/zinc/35/40/36/1036354036.db2.gz GDRRUVRVKKOIGA-JSGCOSHPSA-N 1 2 350.203 2.708 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1O ZINC001233106391 1036354054 /nfs/dbraw/zinc/35/40/54/1036354054.db2.gz GDRRUVRVKKOIGA-JSGCOSHPSA-N 1 2 350.203 2.708 20 10 FFCDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(Br)c(OC)cc1O ZINC001233142847 1036396250 /nfs/dbraw/zinc/39/62/50/1036396250.db2.gz ZFAMRBKZQHABKO-UHFFFAOYSA-N 1 2 360.248 2.938 20 10 FFCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233482991 1036651616 /nfs/dbraw/zinc/65/16/16/1036651616.db2.gz KDPJQWLHXPAYSY-TXEJJXNPSA-N 1 2 352.431 2.633 20 10 FFCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482991 1036651626 /nfs/dbraw/zinc/65/16/26/1036651626.db2.gz KDPJQWLHXPAYSY-TXEJJXNPSA-N 1 2 352.431 2.633 20 10 FFCDLO COc1cc(O)c(C[NH+]2CC3(CCN3Cc3ccccc3)C2)c(OC)c1 ZINC001141028653 1036767787 /nfs/dbraw/zinc/76/77/87/1036767787.db2.gz YRULVEYXJBKGIL-UHFFFAOYSA-N 1 2 354.450 2.870 20 10 FFCDLO COC(=O)c1oc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)cc1C ZINC001207218855 1037257989 /nfs/dbraw/zinc/25/79/89/1037257989.db2.gz SUWKKVHXHNWKSE-UHFFFAOYSA-N 1 2 374.437 2.714 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001235075052 1037344896 /nfs/dbraw/zinc/34/48/96/1037344896.db2.gz IQDUPCQEFGWYPG-LBPRGKRZSA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001235075052 1037344914 /nfs/dbraw/zinc/34/49/14/1037344914.db2.gz IQDUPCQEFGWYPG-LBPRGKRZSA-N 1 2 368.206 2.737 20 10 FFCDLO COc1ccc(Br)c(C[N@@H+]2CCOC3(CCOCC3)C2)c1O ZINC001231557478 1037679750 /nfs/dbraw/zinc/67/97/50/1037679750.db2.gz SJUQVZZIQZPXTF-UHFFFAOYSA-N 1 2 372.259 2.545 20 10 FFCDLO COc1ccc(Br)c(C[N@H+]2CCOC3(CCOCC3)C2)c1O ZINC001231557478 1037679759 /nfs/dbraw/zinc/67/97/59/1037679759.db2.gz SJUQVZZIQZPXTF-UHFFFAOYSA-N 1 2 372.259 2.545 20 10 FFCDLO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4cccc(Cl)c4O)C3)C2=O)cn1 ZINC001231911535 1038009226 /nfs/dbraw/zinc/00/92/26/1038009226.db2.gz NHPDKXRQNSEQRD-LJQANCHMSA-N 1 2 374.872 2.798 20 10 FFCDLO Cn1cc(N2CC[C@@]3(CCC[N@@H+](Cc4cccc(Cl)c4O)C3)C2=O)cn1 ZINC001231911535 1038009242 /nfs/dbraw/zinc/00/92/42/1038009242.db2.gz NHPDKXRQNSEQRD-LJQANCHMSA-N 1 2 374.872 2.798 20 10 FFCDLO Cc1cc(Br)c(O)c(CN2CCC([NH+]3CCOCC3)CC2)c1 ZINC001236673741 1038184924 /nfs/dbraw/zinc/18/49/24/1038184924.db2.gz ONWCCHBGLROSPA-UHFFFAOYSA-N 1 2 369.303 2.760 20 10 FFCDLO CCc1ccc(C[N@@H+]2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001236785135 1038265383 /nfs/dbraw/zinc/26/53/83/1038265383.db2.gz FVSODGCCMGVURR-SJLPKXTDSA-N 1 2 362.470 2.775 20 10 FFCDLO CCc1ccc(C[N@H+]2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001236785135 1038265399 /nfs/dbraw/zinc/26/53/99/1038265399.db2.gz FVSODGCCMGVURR-SJLPKXTDSA-N 1 2 362.470 2.775 20 10 FFCDLO CCOC(=O)N1CC[C@@H]([N@@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)C1 ZINC001256039760 1038334796 /nfs/dbraw/zinc/33/47/96/1038334796.db2.gz MYGPFKMMNLFTPM-CQSZACIVSA-N 1 2 357.454 2.776 20 10 FFCDLO CCOC(=O)N1CC[C@@H]([N@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)C1 ZINC001256039760 1038334809 /nfs/dbraw/zinc/33/48/09/1038334809.db2.gz MYGPFKMMNLFTPM-CQSZACIVSA-N 1 2 357.454 2.776 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCOC3(CCOCC3)C2)c(Br)c1 ZINC001237071700 1038434496 /nfs/dbraw/zinc/43/44/96/1038434496.db2.gz WOKDHFCJJYIUCC-UHFFFAOYSA-N 1 2 372.259 2.545 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCOC3(CCOCC3)C2)c(Br)c1 ZINC001237071700 1038434505 /nfs/dbraw/zinc/43/45/05/1038434505.db2.gz WOKDHFCJJYIUCC-UHFFFAOYSA-N 1 2 372.259 2.545 20 10 FFCDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2ccc(N(C)C)c(C)c2)n(C)n1 ZINC001278686062 1039765631 /nfs/dbraw/zinc/76/56/31/1039765631.db2.gz IKXFZXGBEAMSHH-BGYRXZFFSA-N 1 2 353.514 2.562 20 10 FFCDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2ccc(N(C)C)c(C)c2)n(C)n1 ZINC001278686062 1039765645 /nfs/dbraw/zinc/76/56/45/1039765645.db2.gz IKXFZXGBEAMSHH-BGYRXZFFSA-N 1 2 353.514 2.562 20 10 FFCDLO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001249214686 1040628092 /nfs/dbraw/zinc/62/80/92/1040628092.db2.gz QFTSBNFOYLJDSK-MRXNPFEDSA-N 1 2 364.442 2.506 20 10 FFCDLO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001249214686 1040628100 /nfs/dbraw/zinc/62/81/00/1040628100.db2.gz QFTSBNFOYLJDSK-MRXNPFEDSA-N 1 2 364.442 2.506 20 10 FFCDLO O=C(Nc1cccnc1)N1CCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001278569200 1041209002 /nfs/dbraw/zinc/20/90/02/1041209002.db2.gz RIRMFHCOYLEECW-UHFFFAOYSA-N 1 2 358.829 2.933 20 10 FFCDLO CCOC(=O)c1snnc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001214859622 1041598007 /nfs/dbraw/zinc/59/80/07/1041598007.db2.gz OGQDBNTYFQMREU-UHFFFAOYSA-N 1 2 368.378 2.618 20 10 FFCDLO CC(=O)[C@@H]1CCC[N@H+](Cc2cccc(I)c2O)C1 ZINC001237783844 1043357011 /nfs/dbraw/zinc/35/70/11/1043357011.db2.gz OYSQNAXDUZFUKT-LLVKDONJSA-N 1 2 359.207 2.798 20 10 FFCDLO CC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(I)c2O)C1 ZINC001237783844 1043357022 /nfs/dbraw/zinc/35/70/22/1043357022.db2.gz OYSQNAXDUZFUKT-LLVKDONJSA-N 1 2 359.207 2.798 20 10 FFCDLO O=S(=O)(Nc1ccc(CC2CC[NH2+]CC2)cc1)c1cccc2nonc21 ZINC001237828547 1043386101 /nfs/dbraw/zinc/38/61/01/1043386101.db2.gz MWHRJKWIDKTMRR-UHFFFAOYSA-N 1 2 372.450 2.566 20 10 FFCDLO COc1ccc(C[NH+]2CC3(C2)CCN(C(=O)NC(C)C)C3)c(O)c1Cl ZINC001279666263 1043431948 /nfs/dbraw/zinc/43/19/48/1043431948.db2.gz YYLYKFGMGRLJIN-UHFFFAOYSA-N 1 2 367.877 2.680 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935193 1043441661 /nfs/dbraw/zinc/44/16/61/1043441661.db2.gz RCFUMVXKQYSJNO-NEPJUHHUSA-N 1 2 374.840 2.645 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935193 1043441670 /nfs/dbraw/zinc/44/16/70/1043441670.db2.gz RCFUMVXKQYSJNO-NEPJUHHUSA-N 1 2 374.840 2.645 20 10 FFCDLO CC(C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3c(O)ccc(F)c3Cl)[C@@H]2C1 ZINC001279684275 1043463609 /nfs/dbraw/zinc/46/36/09/1043463609.db2.gz OUKCINRQEOROCP-SMDDNHRTSA-N 1 2 355.841 2.809 20 10 FFCDLO CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3c(O)ccc(F)c3Cl)[C@@H]2C1 ZINC001279684275 1043463614 /nfs/dbraw/zinc/46/36/14/1043463614.db2.gz OUKCINRQEOROCP-SMDDNHRTSA-N 1 2 355.841 2.809 20 10 FFCDLO Cc1cc(CN2CC3(C2)C[NH+](Cc2c(O)ccc(F)c2Cl)C3)n(C)n1 ZINC001279684742 1043465952 /nfs/dbraw/zinc/46/59/52/1043465952.db2.gz RTNFIYCRRFPUHW-UHFFFAOYSA-N 1 2 364.852 2.544 20 10 FFCDLO COc1ccc(N2C[C@@H]3C[N@@H+](Cc4scnc4C)C[C@H](C2)O3)c(C)c1 ZINC001279768848 1043612712 /nfs/dbraw/zinc/61/27/12/1043612712.db2.gz OWURWXCYFZEWJU-CALCHBBNSA-N 1 2 359.495 2.858 20 10 FFCDLO COc1ccc(N2C[C@@H]3C[N@H+](Cc4scnc4C)C[C@H](C2)O3)c(C)c1 ZINC001279768848 1043612714 /nfs/dbraw/zinc/61/27/14/1043612714.db2.gz OWURWXCYFZEWJU-CALCHBBNSA-N 1 2 359.495 2.858 20 10 FFCDLO O=C(NC1CCC(F)CC1)[C@@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1 ZINC001279968545 1044002753 /nfs/dbraw/zinc/00/27/53/1044002753.db2.gz LXWOLBFHDRUDKM-HTWSVDAQSA-N 1 2 362.445 2.523 20 10 FFCDLO O=C(NC1CCC(F)CC1)[C@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001280009087 1044082538 /nfs/dbraw/zinc/08/25/38/1044082538.db2.gz PMULFDHARWAOEP-SSDMNJCBSA-N 1 2 350.409 2.750 20 10 FFCDLO NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001280109714 1044224006 /nfs/dbraw/zinc/22/40/06/1044224006.db2.gz KJOJGTOBIUMMLS-YFKFIEJBSA-N 1 2 373.678 2.751 20 10 FFCDLO NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001280109714 1044224010 /nfs/dbraw/zinc/22/40/10/1044224010.db2.gz KJOJGTOBIUMMLS-YFKFIEJBSA-N 1 2 373.678 2.751 20 10 FFCDLO O=C(c1cc2c([nH]1)C[N@H+](Cc1cc(F)ccc1O)CC2)N1CCCCO1 ZINC001280298327 1044565709 /nfs/dbraw/zinc/56/57/09/1044565709.db2.gz KDTGYKYBJVSUGY-UHFFFAOYSA-N 1 2 359.401 2.585 20 10 FFCDLO O=C(c1cc2c([nH]1)C[N@@H+](Cc1cc(F)ccc1O)CC2)N1CCCCO1 ZINC001280298327 1044565719 /nfs/dbraw/zinc/56/57/19/1044565719.db2.gz KDTGYKYBJVSUGY-UHFFFAOYSA-N 1 2 359.401 2.585 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001322836017 1046241377 /nfs/dbraw/zinc/24/13/77/1046241377.db2.gz RJNZVEUMHVCQLW-UHFFFAOYSA-N 1 2 350.466 2.982 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001322836017 1046241388 /nfs/dbraw/zinc/24/13/88/1046241388.db2.gz RJNZVEUMHVCQLW-UHFFFAOYSA-N 1 2 350.466 2.982 20 10 FFCDLO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001338235851 1055347204 /nfs/dbraw/zinc/34/72/04/1055347204.db2.gz VHJXOVCPFDOBSG-JTQLQIEISA-N 1 2 371.250 2.784 20 10 FFCDLO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001338235851 1055347216 /nfs/dbraw/zinc/34/72/16/1055347216.db2.gz VHJXOVCPFDOBSG-JTQLQIEISA-N 1 2 371.250 2.784 20 10 FFCDLO COc1ccc(N2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC2)cc1 ZINC000847286135 1055385676 /nfs/dbraw/zinc/38/56/76/1055385676.db2.gz GGUCUQKGHMLVCW-UHFFFAOYSA-N 1 2 350.422 2.614 20 10 FFCDLO OC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1c(F)cccc1F ZINC001200422772 1056657466 /nfs/dbraw/zinc/65/74/66/1056657466.db2.gz FEUMFEHMDNKODI-QGZVFWFLSA-N 1 2 366.383 2.764 20 10 FFCDLO COCCn1c2ccccc2[nH+]c1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC001462656173 1061711775 /nfs/dbraw/zinc/71/17/75/1061711775.db2.gz QGPNKZXGMDHBTL-UHFFFAOYSA-N 1 2 372.381 2.917 20 10 FFCDLO O=C1COc2ccccc2CN1CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001474266467 1065481910 /nfs/dbraw/zinc/48/19/10/1065481910.db2.gz QNQNRVCPTLKTOY-UHFFFAOYSA-N 1 2 364.804 2.696 20 10 FFCDLO OCC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cc(F)cc(F)c1O ZINC001474311540 1065492165 /nfs/dbraw/zinc/49/21/65/1065492165.db2.gz NPYMPUHBEYDYIX-UHFFFAOYSA-N 1 2 373.403 2.910 20 10 FFCDLO OCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cc(F)cc(F)c1O ZINC001474311540 1065492173 /nfs/dbraw/zinc/49/21/73/1065492173.db2.gz NPYMPUHBEYDYIX-UHFFFAOYSA-N 1 2 373.403 2.910 20 10 FFCDLO Oc1c(F)cc(F)cc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC001474580602 1065554573 /nfs/dbraw/zinc/55/45/73/1065554573.db2.gz ZJJPZYUDGJKRBA-UHFFFAOYSA-N 1 2 352.381 2.598 20 10 FFCDLO Oc1c(F)cc(F)cc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC001474580602 1065554585 /nfs/dbraw/zinc/55/45/85/1065554585.db2.gz ZJJPZYUDGJKRBA-UHFFFAOYSA-N 1 2 352.381 2.598 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCCO1 ZINC001560874413 1076305686 /nfs/dbraw/zinc/30/56/86/1076305686.db2.gz YARAEWBKLUAQRH-CYBMUJFWSA-N 1 2 372.412 2.786 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCCO1 ZINC001560874413 1076305688 /nfs/dbraw/zinc/30/56/88/1076305688.db2.gz YARAEWBKLUAQRH-CYBMUJFWSA-N 1 2 372.412 2.786 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cccc(-c2nn[nH]n2)c1O ZINC001589965882 1080908820 /nfs/dbraw/zinc/90/88/20/1080908820.db2.gz RIEVAIVAWVYBTC-BPUTZDHNSA-N 1 2 365.437 2.796 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589974179 1080915474 /nfs/dbraw/zinc/91/54/74/1080915474.db2.gz QOCBFXBSDCSKSX-OGHNNQOOSA-N 1 2 366.425 2.538 20 10 FFCDLO CN(C)c1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000048147487 507464571 /nfs/dbraw/zinc/46/45/71/507464571.db2.gz JTQJPUUEYACQCG-UHFFFAOYSA-N 1 2 368.481 2.907 20 10 FFCDLO C[C@@H]1CN(c2ccc(CNc3[nH+]cnc4c3cnn4C)cc2F)C[C@@H](C)O1 ZINC000052457213 507809852 /nfs/dbraw/zinc/80/98/52/507809852.db2.gz YFEDVHVXFXZAGQ-CHWSQXEVSA-N 1 2 370.432 2.728 20 10 FFCDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000077172249 508283303 /nfs/dbraw/zinc/28/33/03/508283303.db2.gz WHAJUWJQTAYFLZ-UHFFFAOYSA-N 1 2 368.403 2.914 20 10 FFCDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000077172249 508283305 /nfs/dbraw/zinc/28/33/05/508283305.db2.gz WHAJUWJQTAYFLZ-UHFFFAOYSA-N 1 2 368.403 2.914 20 10 FFCDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173196050 509449403 /nfs/dbraw/zinc/44/94/03/509449403.db2.gz HFJMWSIBTRGUMN-UHFFFAOYSA-N 1 2 350.422 2.836 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000186054929 509501178 /nfs/dbraw/zinc/50/11/78/509501178.db2.gz AJXZYXCQOVMNTH-TVQRCGJNSA-N 1 2 369.252 2.889 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3nc(C)cs3)CC2)cc(OC)c1OC ZINC000183698995 509932483 /nfs/dbraw/zinc/93/24/83/509932483.db2.gz UZVKBDAJBYXNKA-UHFFFAOYSA-N 1 2 363.483 2.800 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000180705826 510063072 /nfs/dbraw/zinc/06/30/72/510063072.db2.gz SSZAIPKLRWEKPW-ZZXKWVIFSA-N 1 2 353.353 2.752 20 10 FFCDLO C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(F)c(F)c1O ZINC000187689166 510388328 /nfs/dbraw/zinc/38/83/28/510388328.db2.gz QIDRHKLYEAQLOO-NSHDSACASA-N 1 2 350.365 2.847 20 10 FFCDLO C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199619 510544539 /nfs/dbraw/zinc/54/45/39/510544539.db2.gz RWYDSPBCUUIELY-CJNGLKHVSA-N 1 2 362.420 2.740 20 10 FFCDLO C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199619 510544545 /nfs/dbraw/zinc/54/45/45/510544545.db2.gz RWYDSPBCUUIELY-CJNGLKHVSA-N 1 2 362.420 2.740 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1O ZINC000277680475 510969584 /nfs/dbraw/zinc/96/95/84/510969584.db2.gz GGYANTRMBORUOW-AWEZNQCLSA-N 1 2 359.875 2.647 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1O ZINC000277680475 510969586 /nfs/dbraw/zinc/96/95/86/510969586.db2.gz GGYANTRMBORUOW-AWEZNQCLSA-N 1 2 359.875 2.647 20 10 FFCDLO COc1c(O)c(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278269920 510987097 /nfs/dbraw/zinc/98/70/97/510987097.db2.gz RKLVOXGKUNFIFN-RUZDIDTESA-N 1 2 364.423 2.678 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278269920 510987102 /nfs/dbraw/zinc/98/71/02/510987102.db2.gz RKLVOXGKUNFIFN-RUZDIDTESA-N 1 2 364.423 2.678 20 10 FFCDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000278750707 511005631 /nfs/dbraw/zinc/00/56/31/511005631.db2.gz SDXWIMXZGJCXSU-BXUZGUMPSA-N 1 2 364.269 2.545 20 10 FFCDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000278750707 511005635 /nfs/dbraw/zinc/00/56/35/511005635.db2.gz SDXWIMXZGJCXSU-BXUZGUMPSA-N 1 2 364.269 2.545 20 10 FFCDLO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)c1O ZINC000289441273 511101818 /nfs/dbraw/zinc/10/18/18/511101818.db2.gz FAQDXXGEZOYIHQ-JTQLQIEISA-N 1 2 351.378 2.893 20 10 FFCDLO CCOCc1nc([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)no1 ZINC000290960422 511155673 /nfs/dbraw/zinc/15/56/73/511155673.db2.gz RLUOEQBDCIEQNH-SECBINFHSA-N 1 2 356.220 2.925 20 10 FFCDLO CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000273386044 511524272 /nfs/dbraw/zinc/52/42/72/511524272.db2.gz JPNJUDSHVAGEKT-LLVKDONJSA-N 1 2 360.285 2.514 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273424144 511525196 /nfs/dbraw/zinc/52/51/96/511525196.db2.gz SXSSPHRHLVTQAN-NSHDSACASA-N 1 2 365.411 2.523 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273464396 511527621 /nfs/dbraw/zinc/52/76/21/511527621.db2.gz IOVBNAYGSIFJDL-DYVFJYSZSA-N 1 2 355.394 2.752 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273480392 511529605 /nfs/dbraw/zinc/52/96/05/511529605.db2.gz UGXFSUWUGHORAI-CXAGYDPISA-N 1 2 370.409 2.537 20 10 FFCDLO O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000296378973 511719845 /nfs/dbraw/zinc/71/98/45/511719845.db2.gz SZPDXEYMPBFVRB-GFCCVEGCSA-N 1 2 359.401 2.790 20 10 FFCDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000364325249 512086132 /nfs/dbraw/zinc/08/61/32/512086132.db2.gz POXFLTSRFKJOGR-HNNXBMFYSA-N 1 2 366.458 2.516 20 10 FFCDLO CCOc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000364325249 512086134 /nfs/dbraw/zinc/08/61/34/512086134.db2.gz POXFLTSRFKJOGR-HNNXBMFYSA-N 1 2 366.458 2.516 20 10 FFCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898720887 735399224 /nfs/dbraw/zinc/39/92/24/735399224.db2.gz NOJFBECQUDNMKZ-JTQLQIEISA-N 1 2 358.186 2.734 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)CO)c1cc(Br)cc(Br)c1O ZINC000134925792 728734205 /nfs/dbraw/zinc/73/42/05/728734205.db2.gz AUZZCHBPCBACHJ-NKWVEPMBSA-N 1 2 353.054 2.949 20 10 FFCDLO O=C1CCCCN1CCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882988129 733318800 /nfs/dbraw/zinc/31/88/00/733318800.db2.gz BRCKVMUJHVPQIF-UHFFFAOYSA-N 1 2 359.239 2.786 20 10 FFCDLO COc1ccc(CNc2cc(CSCCO)cc[nH+]2)c(O)c1OC ZINC000893267697 734677899 /nfs/dbraw/zinc/67/78/99/734677899.db2.gz WADATEUCEXBAEN-UHFFFAOYSA-N 1 2 350.440 2.642 20 10 FFCDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000788270270 739226162 /nfs/dbraw/zinc/22/61/62/739226162.db2.gz QTAHOWZKDSDAGT-XCBNKYQSSA-N 1 2 365.065 2.872 20 10 FFCDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000788270270 739226164 /nfs/dbraw/zinc/22/61/64/739226164.db2.gz QTAHOWZKDSDAGT-XCBNKYQSSA-N 1 2 365.065 2.872 20 10 FFCDLO CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756361908 736325426 /nfs/dbraw/zinc/32/54/26/736325426.db2.gz LMERRCZYNVVSHD-VIFPVBQESA-N 1 2 359.239 2.955 20 10 FFCDLO C[C@@H]([NH2+]CCS(C)(=O)=O)c1cc(Br)cc(Cl)c1O ZINC000756503867 736336924 /nfs/dbraw/zinc/33/69/24/736336924.db2.gz NQSFWLGACASICZ-SSDOTTSWSA-N 1 2 356.669 2.503 20 10 FFCDLO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)cc(F)c1O ZINC000756563239 736343405 /nfs/dbraw/zinc/34/34/05/736343405.db2.gz MKYCPEDGMGJEJP-MNOVXSKESA-N 1 2 362.239 2.998 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCSCC1)c1cc(Br)c(F)cc1O ZINC000756576126 736344692 /nfs/dbraw/zinc/34/46/92/736344692.db2.gz JRYXVHYPUJUPRG-SNVBAGLBSA-N 1 2 363.296 2.993 20 10 FFCDLO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756578932 736344743 /nfs/dbraw/zinc/34/47/43/736344743.db2.gz YORYVNGCTKQBNN-ISVAXAHUSA-N 1 2 352.656 2.856 20 10 FFCDLO COC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756595074 736345791 /nfs/dbraw/zinc/34/57/91/736345791.db2.gz SSNZBKQITJYIGZ-WPRPVWTQSA-N 1 2 352.656 2.856 20 10 FFCDLO COc1c(O)c(C[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974125 738046830 /nfs/dbraw/zinc/04/68/30/738046830.db2.gz JCZJDKRUMBNBJC-MGPQQGTHSA-N 1 2 351.447 2.765 20 10 FFCDLO COc1c(O)c(CN[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974125 738046834 /nfs/dbraw/zinc/04/68/34/738046834.db2.gz JCZJDKRUMBNBJC-MGPQQGTHSA-N 1 2 351.447 2.765 20 10 FFCDLO C[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(N(C)C)cc1 ZINC000775832752 738129972 /nfs/dbraw/zinc/12/99/72/738129972.db2.gz BLGCMTGMHWFBRR-GFCCVEGCSA-N 1 2 353.513 2.605 20 10 FFCDLO C[N@@H+]1CCN(Cc2cccc(Cl)c2O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604097 739798360 /nfs/dbraw/zinc/79/83/60/739798360.db2.gz OBZONUADQRYQJL-AWEZNQCLSA-N 1 2 369.893 2.686 20 10 FFCDLO C[N@H+]1CCN(Cc2cccc(Cl)c2O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604097 739798363 /nfs/dbraw/zinc/79/83/63/739798363.db2.gz OBZONUADQRYQJL-AWEZNQCLSA-N 1 2 369.893 2.686 20 10 FFCDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)s1 ZINC000818358302 742266652 /nfs/dbraw/zinc/26/66/52/742266652.db2.gz TYLNEYSDMFZKIH-NXEZZACHSA-N 1 2 364.423 2.834 20 10 FFCDLO COc1nccnc1CN[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000823855144 742990616 /nfs/dbraw/zinc/99/06/16/742990616.db2.gz HKYFTLUYJBYALL-HNNXBMFYSA-N 1 2 362.861 2.598 20 10 FFCDLO COc1nccnc1CN[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000823855144 742990622 /nfs/dbraw/zinc/99/06/22/742990622.db2.gz HKYFTLUYJBYALL-HNNXBMFYSA-N 1 2 362.861 2.598 20 10 FFCDLO CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1COCC12OCCO2 ZINC000839172120 746792765 /nfs/dbraw/zinc/79/27/65/746792765.db2.gz HNDAUVBPYVNEIH-CQSZACIVSA-N 1 2 359.825 2.690 20 10 FFCDLO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cc(F)cc(F)c1O ZINC000840799863 747186618 /nfs/dbraw/zinc/18/66/18/747186618.db2.gz XLUCCPNKLMDAAB-XHDPSFHLSA-N 1 2 357.397 2.737 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000840868618 747207581 /nfs/dbraw/zinc/20/75/81/747207581.db2.gz CIWHZFWRKAINHI-VIFPVBQESA-N 1 2 355.316 2.838 20 10 FFCDLO CCc1nc(CN2CC[NH+](Cc3c(O)cc(C)cc3Cl)CC2)no1 ZINC000840916759 747224096 /nfs/dbraw/zinc/22/40/96/747224096.db2.gz CQTVHCIFRSSZFC-UHFFFAOYSA-N 1 2 350.850 2.617 20 10 FFCDLO [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841042218 747259989 /nfs/dbraw/zinc/25/99/89/747259989.db2.gz GHXGTWHTDCDNBP-JTQLQIEISA-N 1 2 364.081 2.759 20 10 FFCDLO COCC[N@H+](Cc1cccc(Br)c1O)C[C@H](O)C(F)(F)F ZINC000848922703 749034625 /nfs/dbraw/zinc/03/46/25/749034625.db2.gz YLHNQRRXTULXPC-NSHDSACASA-N 1 2 372.181 2.526 20 10 FFCDLO O=C1NCC2(CC[NH+](Cc3cc(F)cc(F)c3O)CC2)Oc2ccccc21 ZINC000896444788 971493256 /nfs/dbraw/zinc/49/32/56/971493256.db2.gz MZPDFXGSSYQIIH-UHFFFAOYSA-N 1 2 374.387 2.827 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)cc1 ZINC000066863677 972533548 /nfs/dbraw/zinc/53/35/48/972533548.db2.gz GYNHTUCWSSCCME-WIYYLYMNSA-N 1 2 371.525 2.998 20 10 FFCDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000896980107 973113508 /nfs/dbraw/zinc/11/35/08/973113508.db2.gz NRCKHLFOIORMBS-GOSISDBHSA-N 1 2 372.412 2.522 20 10 FFCDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000896980107 973113514 /nfs/dbraw/zinc/11/35/14/973113514.db2.gz NRCKHLFOIORMBS-GOSISDBHSA-N 1 2 372.412 2.522 20 10 FFCDLO C[C@@H](N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1)C(F)(F)F ZINC000876798422 1014396258 /nfs/dbraw/zinc/39/62/58/1014396258.db2.gz YLUKCSCQNOODID-OAHLLOKOSA-N 1 2 371.447 2.716 20 10 FFCDLO [O-]c1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc(F)c1F ZINC000877060311 1014464454 /nfs/dbraw/zinc/46/44/54/1014464454.db2.gz IEWJTJGWWLYIGM-WMZOPIPTSA-N 1 2 362.420 2.643 20 10 FFCDLO [O-]c1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc(F)c1F ZINC000877060311 1014464462 /nfs/dbraw/zinc/46/44/62/1014464462.db2.gz IEWJTJGWWLYIGM-WMZOPIPTSA-N 1 2 362.420 2.643 20 10 FFCDLO C[C@H]([C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[NH+]1CCOCC1 ZINC000729623640 981180194 /nfs/dbraw/zinc/18/01/94/981180194.db2.gz NOKBKOVNGROJNX-DLBZAZTESA-N 1 2 374.529 2.536 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)cc1 ZINC000913472181 984276520 /nfs/dbraw/zinc/27/65/20/984276520.db2.gz QDCJXHFPWLLGHF-HXUWFJFHSA-N 1 2 363.465 2.614 20 10 FFCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000186438051 986705166 /nfs/dbraw/zinc/70/51/66/986705166.db2.gz MASFZTOJXJZSML-CYBMUJFWSA-N 1 2 354.410 2.949 20 10 FFCDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000917158310 990160635 /nfs/dbraw/zinc/16/06/35/990160635.db2.gz ASRREPDCOQJNGX-OAHLLOKOSA-N 1 2 358.413 2.911 20 10 FFCDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000917158310 990160638 /nfs/dbraw/zinc/16/06/38/990160638.db2.gz ASRREPDCOQJNGX-OAHLLOKOSA-N 1 2 358.413 2.911 20 10 FFCDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179887464 991370339 /nfs/dbraw/zinc/37/03/39/991370339.db2.gz BNVRQSHZIXFNDR-UHFFFAOYSA-N 1 2 371.456 2.904 20 10 FFCDLO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000183509901 992468315 /nfs/dbraw/zinc/46/83/15/992468315.db2.gz QMGDFMXLVSILJK-UHFFFAOYSA-N 1 2 369.421 2.668 20 10 FFCDLO CC[N@H+](Cc1cc(OC)c(OC)cc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000183509901 992468322 /nfs/dbraw/zinc/46/83/22/992468322.db2.gz QMGDFMXLVSILJK-UHFFFAOYSA-N 1 2 369.421 2.668 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1cccc(C)c1 ZINC001136875056 996935825 /nfs/dbraw/zinc/93/58/25/996935825.db2.gz WWZUQOFDZGJWBF-UWJYYQICSA-N 1 2 368.525 2.767 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C)n1-c1cccc(C)c1 ZINC001136875056 996935832 /nfs/dbraw/zinc/93/58/32/996935832.db2.gz WWZUQOFDZGJWBF-UWJYYQICSA-N 1 2 368.525 2.767 20 10 FFCDLO CC(C)C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)n1cc[nH+]c1 ZINC000824711891 997066394 /nfs/dbraw/zinc/06/63/94/997066394.db2.gz KLGBOECKWKSXBB-FQEVSTJZSA-N 1 2 370.497 2.748 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)c(C)n1-c1cccc(F)c1 ZINC000734485994 999296387 /nfs/dbraw/zinc/29/63/87/999296387.db2.gz XHMLXHHPTMSJBY-LJQANCHMSA-N 1 2 374.456 2.889 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](OCCO)C2)c(C)n1-c1cccc(F)c1 ZINC000734485994 999296391 /nfs/dbraw/zinc/29/63/91/999296391.db2.gz XHMLXHHPTMSJBY-LJQANCHMSA-N 1 2 374.456 2.889 20 10 FFCDLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407137 1000044091 /nfs/dbraw/zinc/04/40/91/1000044091.db2.gz ZKONYLQRMXPZAO-VLIAUNLRSA-N 1 2 372.465 2.656 20 10 FFCDLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407137 1000044093 /nfs/dbraw/zinc/04/40/93/1000044093.db2.gz ZKONYLQRMXPZAO-VLIAUNLRSA-N 1 2 372.465 2.656 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC000768445728 1000250586 /nfs/dbraw/zinc/25/05/86/1000250586.db2.gz GWPRVIBIMKLJIG-ZDUSSCGKSA-N 1 2 366.458 2.851 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC000768445728 1000250589 /nfs/dbraw/zinc/25/05/89/1000250589.db2.gz GWPRVIBIMKLJIG-ZDUSSCGKSA-N 1 2 366.458 2.851 20 10 FFCDLO COC(=O)/C=C/c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000788572494 1001826138 /nfs/dbraw/zinc/82/61/38/1001826138.db2.gz SCWIWLRKCSUUNP-LLCTXKFZSA-N 1 2 369.377 2.834 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@H]1C(F)(F)F ZINC001183652258 1002336304 /nfs/dbraw/zinc/33/63/04/1002336304.db2.gz PMICGGYBDBEDBP-GHMZBOCLSA-N 1 2 353.287 2.844 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@H]1C(F)(F)F ZINC001183652258 1002336317 /nfs/dbraw/zinc/33/63/17/1002336317.db2.gz PMICGGYBDBEDBP-GHMZBOCLSA-N 1 2 353.287 2.844 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000774883713 1002957150 /nfs/dbraw/zinc/95/71/50/1002957150.db2.gz IVHROSZONFULAR-UHFFFAOYSA-N 1 2 359.338 2.776 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000774883713 1002957159 /nfs/dbraw/zinc/95/71/59/1002957159.db2.gz IVHROSZONFULAR-UHFFFAOYSA-N 1 2 359.338 2.776 20 10 FFCDLO COc1c(O)c(C[NH2+][C@H](c2nccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774965815 1003157965 /nfs/dbraw/zinc/15/79/65/1003157965.db2.gz VJJKNIDJCHLINZ-INIZCTEOSA-N 1 2 368.393 2.922 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000804966998 1003919638 /nfs/dbraw/zinc/91/96/38/1003919638.db2.gz IHHHTDRRAGYKDC-PXNSSMCTSA-N 1 2 374.529 2.537 20 10 FFCDLO COc1ccc(CNC(=O)C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001199769938 1005023029 /nfs/dbraw/zinc/02/30/29/1005023029.db2.gz RXFHZRNVGIBXMB-UHFFFAOYSA-N 1 2 352.793 2.599 20 10 FFCDLO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2ncnn21 ZINC000850352156 1005809406 /nfs/dbraw/zinc/80/94/06/1005809406.db2.gz NJRLRWNYJIVNGA-ZFWWWQNUSA-N 1 2 356.430 2.972 20 10 FFCDLO Cn1cccc1C(=O)N1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000853619225 1006479268 /nfs/dbraw/zinc/47/92/68/1006479268.db2.gz VKMVEXITTQMTER-UHFFFAOYSA-N 1 2 371.481 2.692 20 10 FFCDLO COC(=O)N1CCN(c2ccc(N[C@H](C)c3ccc(F)cc3O)c[nH+]2)CC1 ZINC000815654918 1006726667 /nfs/dbraw/zinc/72/66/67/1006726667.db2.gz CSLCWRQXASIHTG-CYBMUJFWSA-N 1 2 374.416 2.988 20 10 FFCDLO CC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000773786011 1009203471 /nfs/dbraw/zinc/20/34/71/1009203471.db2.gz GFUDCEMJNMJMKF-WOJBJXKFSA-N 1 2 359.514 2.792 20 10 FFCDLO CC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000773786011 1009203486 /nfs/dbraw/zinc/20/34/86/1009203486.db2.gz GFUDCEMJNMJMKF-WOJBJXKFSA-N 1 2 359.514 2.792 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000860979795 1009221418 /nfs/dbraw/zinc/22/14/18/1009221418.db2.gz DBNCDHPYAQUWCL-QGZVFWFLSA-N 1 2 362.433 2.848 20 10 FFCDLO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ncco2)cc1 ZINC001275438745 1012463660 /nfs/dbraw/zinc/46/36/60/1012463660.db2.gz XCNGHOMJNWUQJE-QZTJIDSGSA-N 1 2 354.454 2.506 20 10 FFCDLO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ncco2)cc1 ZINC001275438745 1012463667 /nfs/dbraw/zinc/46/36/67/1012463667.db2.gz XCNGHOMJNWUQJE-QZTJIDSGSA-N 1 2 354.454 2.506 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000795155555 1012690669 /nfs/dbraw/zinc/69/06/69/1012690669.db2.gz GCSUNWCRZCUKFW-CQSZACIVSA-N 1 2 357.506 2.559 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000795155555 1012690674 /nfs/dbraw/zinc/69/06/74/1012690674.db2.gz GCSUNWCRZCUKFW-CQSZACIVSA-N 1 2 357.506 2.559 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000802121870 1019766869 /nfs/dbraw/zinc/76/68/69/1019766869.db2.gz SQKIXHAOMNLVFJ-SJORKVTESA-N 1 2 363.502 2.813 20 10 FFCDLO COC1CCN(c2ccc(C[N@@H+]3CCN(CC(C)C)C(=O)[C@@H]3C)cc2)CC1 ZINC000828987428 1032936051 /nfs/dbraw/zinc/93/60/51/1032936051.db2.gz CXJBHVNFVTVBDC-SFHVURJKSA-N 1 2 373.541 2.991 20 10 FFCDLO COC1CCN(c2ccc(C[N@H+]3CCN(CC(C)C)C(=O)[C@@H]3C)cc2)CC1 ZINC000828987428 1032936060 /nfs/dbraw/zinc/93/60/60/1032936060.db2.gz CXJBHVNFVTVBDC-SFHVURJKSA-N 1 2 373.541 2.991 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC001116417229 1021206780 /nfs/dbraw/zinc/20/67/80/1021206780.db2.gz FCFALJXNADRAIA-QZTJIDSGSA-N 1 2 359.514 2.712 20 10 FFCDLO O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O[C@H]3CCC[NH2+]C3)c12 ZINC001218282862 1033085342 /nfs/dbraw/zinc/08/53/42/1033085342.db2.gz BVNFBIGHANGDGC-ZDUSSCGKSA-N 1 2 369.373 2.708 20 10 FFCDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000752087823 1023056785 /nfs/dbraw/zinc/05/67/85/1023056785.db2.gz GXVRNOPFSOWOJE-OAHLLOKOSA-N 1 2 351.406 2.973 20 10 FFCDLO Cc1cc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccn1 ZINC000753896396 1023395918 /nfs/dbraw/zinc/39/59/18/1023395918.db2.gz IYTNBJDUDVINBZ-CALCHBBNSA-N 1 2 355.438 2.509 20 10 FFCDLO Cc1cc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccn1 ZINC000753896396 1023395925 /nfs/dbraw/zinc/39/59/25/1023395925.db2.gz IYTNBJDUDVINBZ-CALCHBBNSA-N 1 2 355.438 2.509 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)cc(F)c1O ZINC000756571392 1023729192 /nfs/dbraw/zinc/72/91/92/1023729192.db2.gz ZEENJMYZHOHTHR-YPMHNXCESA-N 1 2 361.392 2.699 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001137834308 1033168363 /nfs/dbraw/zinc/16/83/63/1033168363.db2.gz BSUQPMIXEKKMGB-DFQSSKMNSA-N 1 2 365.445 2.706 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001137834308 1033168375 /nfs/dbraw/zinc/16/83/75/1033168375.db2.gz BSUQPMIXEKKMGB-DFQSSKMNSA-N 1 2 365.445 2.706 20 10 FFCDLO CN1CCOc2cc(C[N@@H+]3CCC34CN(C(=O)OC(C)(C)C)C4)ccc21 ZINC001141141360 1025509207 /nfs/dbraw/zinc/50/92/07/1025509207.db2.gz XRQJOBYUVHOULA-UHFFFAOYSA-N 1 2 359.470 2.710 20 10 FFCDLO CN1CCOc2cc(C[N@H+]3CCC34CN(C(=O)OC(C)(C)C)C4)ccc21 ZINC001141141360 1025509224 /nfs/dbraw/zinc/50/92/24/1025509224.db2.gz XRQJOBYUVHOULA-UHFFFAOYSA-N 1 2 359.470 2.710 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839666770 1026784595 /nfs/dbraw/zinc/78/45/95/1026784595.db2.gz NUCMGVXRPZKGER-GHTZIAJQSA-N 1 2 370.493 2.569 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839666770 1026784605 /nfs/dbraw/zinc/78/46/05/1026784605.db2.gz NUCMGVXRPZKGER-GHTZIAJQSA-N 1 2 370.493 2.569 20 10 FFCDLO COc1cc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)cc(O)c1O ZINC001204349839 1031245851 /nfs/dbraw/zinc/24/58/51/1031245851.db2.gz CDRRJXILCVRAAX-GFCCVEGCSA-N 1 2 368.231 2.512 20 10 FFCDLO COc1cc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)cc(O)c1O ZINC001204349839 1031245863 /nfs/dbraw/zinc/24/58/63/1031245863.db2.gz CDRRJXILCVRAAX-GFCCVEGCSA-N 1 2 368.231 2.512 20 10 FFCDLO Oc1cc(Cl)ccc1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC001204743290 1031423999 /nfs/dbraw/zinc/42/39/99/1031423999.db2.gz BHVVADMDZUFVTN-UHFFFAOYSA-N 1 2 356.804 2.955 20 10 FFCDLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337855 1034168284 /nfs/dbraw/zinc/16/82/84/1034168284.db2.gz DWWJNKRYNRFHJV-SFHVURJKSA-N 1 2 352.425 2.683 20 10 FFCDLO C[C@@]1(CO)CC(F)(F)C[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337855 1034168290 /nfs/dbraw/zinc/16/82/90/1034168290.db2.gz DWWJNKRYNRFHJV-SFHVURJKSA-N 1 2 352.425 2.683 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001139093581 1034929698 /nfs/dbraw/zinc/92/96/98/1034929698.db2.gz ZKMGXILFQZLGNA-UHFFFAOYSA-N 1 2 374.448 2.925 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001139093581 1034929703 /nfs/dbraw/zinc/92/97/03/1034929703.db2.gz ZKMGXILFQZLGNA-UHFFFAOYSA-N 1 2 374.448 2.925 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001139126422 1034955993 /nfs/dbraw/zinc/95/59/93/1034955993.db2.gz GNODEHNQSWVIBX-DIFFPNOSSA-N 1 2 371.355 2.942 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001139126422 1034956003 /nfs/dbraw/zinc/95/60/03/1034956003.db2.gz GNODEHNQSWVIBX-DIFFPNOSSA-N 1 2 371.355 2.942 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(NC(=O)CC(C)C)CC1 ZINC001139127080 1034956290 /nfs/dbraw/zinc/95/62/90/1034956290.db2.gz FIMUOGYCVAQVRY-UHFFFAOYSA-N 1 2 372.465 2.934 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC001139131596 1034960844 /nfs/dbraw/zinc/96/08/44/1034960844.db2.gz PMPKDFUUNOXHMJ-UHFFFAOYSA-N 1 2 370.449 2.784 20 10 FFCDLO CN(C)c1ccc(/C=C/C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000835024653 1035489420 /nfs/dbraw/zinc/48/94/20/1035489420.db2.gz AEIFLBLFYPICIA-ONEGZZNKSA-N 1 2 365.477 2.929 20 10 FFCDLO CC[C@@H](C)N1CC2(C[NH+](Cc3ccc4ccccc4c3O)C2)OCC1=O ZINC001277223244 1035628340 /nfs/dbraw/zinc/62/83/40/1035628340.db2.gz IQUFZLPPRLIWDH-OAHLLOKOSA-N 1 2 354.450 2.757 20 10 FFCDLO COC(=O)c1c(C[N@@H+]2CCc3cnc(OC)cc3C2)c2ccccc2n1C ZINC001232410779 1035659871 /nfs/dbraw/zinc/65/98/71/1035659871.db2.gz SFGHDOFZRHTJRP-UHFFFAOYSA-N 1 2 365.433 2.927 20 10 FFCDLO COC(=O)c1c(C[N@H+]2CCc3cnc(OC)cc3C2)c2ccccc2n1C ZINC001232410779 1035659878 /nfs/dbraw/zinc/65/98/78/1035659878.db2.gz SFGHDOFZRHTJRP-UHFFFAOYSA-N 1 2 365.433 2.927 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277232577 1035682085 /nfs/dbraw/zinc/68/20/85/1035682085.db2.gz URTREGWOAZVURX-DJJJIMSYSA-N 1 2 364.873 2.980 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277232577 1035682090 /nfs/dbraw/zinc/68/20/90/1035682090.db2.gz URTREGWOAZVURX-DJJJIMSYSA-N 1 2 364.873 2.980 20 10 FFCDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014156 1036250280 /nfs/dbraw/zinc/25/02/80/1036250280.db2.gz MGZXQULNAXYCLJ-LJQANCHMSA-N 1 2 364.442 2.779 20 10 FFCDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014156 1036250298 /nfs/dbraw/zinc/25/02/98/1036250298.db2.gz MGZXQULNAXYCLJ-LJQANCHMSA-N 1 2 364.442 2.779 20 10 FFCDLO COc1ccnc(OC2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)n1 ZINC001233079637 1036325487 /nfs/dbraw/zinc/32/54/87/1036325487.db2.gz IFYQZOOXWIZDBL-UHFFFAOYSA-N 1 2 351.353 2.512 20 10 FFCDLO CCOC(=O)c1c(C[N@@H+]2CCc3c(cnn3C)C2)c2ccccc2n1C ZINC001233273213 1036480790 /nfs/dbraw/zinc/48/07/90/1036480790.db2.gz SNCQCEPOBOHILI-UHFFFAOYSA-N 1 2 352.438 2.647 20 10 FFCDLO CCOC(=O)c1c(C[N@H+]2CCc3c(cnn3C)C2)c2ccccc2n1C ZINC001233273213 1036480795 /nfs/dbraw/zinc/48/07/95/1036480795.db2.gz SNCQCEPOBOHILI-UHFFFAOYSA-N 1 2 352.438 2.647 20 10 FFCDLO COC[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cn(C)nc21 ZINC001233416307 1036611417 /nfs/dbraw/zinc/61/14/17/1036611417.db2.gz CUVZGJCDYDWDFA-ZDUSSCGKSA-N 1 2 355.360 2.890 20 10 FFCDLO COC[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)Cc2cn(C)nc21 ZINC001233416307 1036611442 /nfs/dbraw/zinc/61/14/42/1036611442.db2.gz CUVZGJCDYDWDFA-ZDUSSCGKSA-N 1 2 355.360 2.890 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387066 1036669447 /nfs/dbraw/zinc/66/94/47/1036669447.db2.gz DTLBAQWXAKMKOQ-KPZWWZAWSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387066 1036669452 /nfs/dbraw/zinc/66/94/52/1036669452.db2.gz DTLBAQWXAKMKOQ-KPZWWZAWSA-N 1 2 370.852 2.787 20 10 FFCDLO CC(C)CN1CC2(C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)OCC1=O ZINC001277411184 1036837090 /nfs/dbraw/zinc/83/70/90/1036837090.db2.gz UTRNVTIGNVUSNV-UHFFFAOYSA-N 1 2 360.498 2.759 20 10 FFCDLO O=C1N(C2COC2)CC[C@@]12CCC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277830332 1036909946 /nfs/dbraw/zinc/90/99/46/1036909946.db2.gz PXYQMFUJMLCTIM-KRWDZBQOSA-N 1 2 371.264 2.665 20 10 FFCDLO O=C1N(C2COC2)CC[C@@]12CCC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277830332 1036909958 /nfs/dbraw/zinc/90/99/58/1036909958.db2.gz PXYQMFUJMLCTIM-KRWDZBQOSA-N 1 2 371.264 2.665 20 10 FFCDLO CC[N@@H+]1CC[C@H](Oc2c(C)c(O)cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229828936 1036923782 /nfs/dbraw/zinc/92/37/82/1036923782.db2.gz IOUOXVDAQJEIJA-ZDUSSCGKSA-N 1 2 351.402 2.949 20 10 FFCDLO CC[N@H+]1CC[C@H](Oc2c(C)c(O)cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229828936 1036923798 /nfs/dbraw/zinc/92/37/98/1036923798.db2.gz IOUOXVDAQJEIJA-ZDUSSCGKSA-N 1 2 351.402 2.949 20 10 FFCDLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)C[C@@H]21 ZINC001235066570 1037340731 /nfs/dbraw/zinc/34/07/31/1037340731.db2.gz KWQUPCADQLKXPS-PJXYFTJBSA-N 1 2 358.207 2.535 20 10 FFCDLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)C[C@@H]21 ZINC001235066570 1037340742 /nfs/dbraw/zinc/34/07/42/1037340742.db2.gz KWQUPCADQLKXPS-PJXYFTJBSA-N 1 2 358.207 2.535 20 10 FFCDLO COC(=O)[C@H]1C[C@](O)(C(F)(F)F)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587882 1037707873 /nfs/dbraw/zinc/70/78/73/1037707873.db2.gz IJWPZGXFWXBALE-RHSMWYFYSA-N 1 2 369.339 2.586 20 10 FFCDLO COC(=O)[C@H]1C[C@](O)(C(F)(F)F)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587882 1037707891 /nfs/dbraw/zinc/70/78/91/1037707891.db2.gz IJWPZGXFWXBALE-RHSMWYFYSA-N 1 2 369.339 2.586 20 10 FFCDLO Cc1cc(C)c(C[NH+]2CC3(C2)CN(C(=O)OC(C)(C)C)CCO3)c(O)c1 ZINC001231842186 1037939839 /nfs/dbraw/zinc/93/98/39/1037939839.db2.gz KOHKQSNUBPTESX-UHFFFAOYSA-N 1 2 362.470 2.831 20 10 FFCDLO CCn1nnc2c1CC[N@H+](Cc1ccc3ccccc3c1O)[C@@H]2COC ZINC001231877948 1037971682 /nfs/dbraw/zinc/97/16/82/1037971682.db2.gz BDBXJCPMFABULF-GOSISDBHSA-N 1 2 352.438 2.903 20 10 FFCDLO CCn1nnc2c1CC[N@@H+](Cc1ccc3ccccc3c1O)[C@@H]2COC ZINC001231877948 1037971691 /nfs/dbraw/zinc/97/16/91/1037971691.db2.gz BDBXJCPMFABULF-GOSISDBHSA-N 1 2 352.438 2.903 20 10 FFCDLO O=C(NCc1cccnc1)[C@H]1C[C@@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911484 1038006467 /nfs/dbraw/zinc/00/64/67/1038006467.db2.gz MGPUNEWOCMACKJ-OXQOHEQNSA-N 1 2 371.868 2.969 20 10 FFCDLO O=C(NCc1cccnc1)[C@H]1C[C@@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911484 1038006490 /nfs/dbraw/zinc/00/64/90/1038006490.db2.gz MGPUNEWOCMACKJ-OXQOHEQNSA-N 1 2 371.868 2.969 20 10 FFCDLO O=C1N(C2COC2)CC[C@@]12CCC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277994795 1038179334 /nfs/dbraw/zinc/17/93/34/1038179334.db2.gz GGGVECNAVICKLQ-KRWDZBQOSA-N 1 2 371.264 2.665 20 10 FFCDLO O=C1N(C2COC2)CC[C@@]12CCC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277994795 1038179337 /nfs/dbraw/zinc/17/93/37/1038179337.db2.gz GGGVECNAVICKLQ-KRWDZBQOSA-N 1 2 371.264 2.665 20 10 FFCDLO O=c1[nH]ccc2c1CC[N@@H+](Cc1cc(O)c(Br)cc1O)C2 ZINC001236762574 1038249692 /nfs/dbraw/zinc/24/96/92/1038249692.db2.gz PMRLPYLBPQRPIN-UHFFFAOYSA-N 1 2 351.200 2.519 20 10 FFCDLO O=c1[nH]ccc2c1CC[N@H+](Cc1cc(O)c(Br)cc1O)C2 ZINC001236762574 1038249703 /nfs/dbraw/zinc/24/97/03/1038249703.db2.gz PMRLPYLBPQRPIN-UHFFFAOYSA-N 1 2 351.200 2.519 20 10 FFCDLO O=C([C@H]1CCCC[N@H+]1Cc1cc(Cl)c(Cl)cc1O)N1CCOCC1 ZINC001236797258 1038276288 /nfs/dbraw/zinc/27/62/88/1038276288.db2.gz WYKSNAJMLLLQID-OAHLLOKOSA-N 1 2 373.280 2.912 20 10 FFCDLO O=C([C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(Cl)cc1O)N1CCOCC1 ZINC001236797258 1038276299 /nfs/dbraw/zinc/27/62/99/1038276299.db2.gz WYKSNAJMLLLQID-OAHLLOKOSA-N 1 2 373.280 2.912 20 10 FFCDLO COc1cc(O)c(C[N@H+](C)Cc2cnc(C)nc2)c(Br)c1 ZINC001237066919 1038431474 /nfs/dbraw/zinc/43/14/74/1038431474.db2.gz DRAYCUYHNLPAAK-UHFFFAOYSA-N 1 2 352.232 2.894 20 10 FFCDLO COc1cc(O)c(C[N@@H+](C)Cc2cnc(C)nc2)c(Br)c1 ZINC001237066919 1038431475 /nfs/dbraw/zinc/43/14/75/1038431475.db2.gz DRAYCUYHNLPAAK-UHFFFAOYSA-N 1 2 352.232 2.894 20 10 FFCDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)ccc(Cl)c2Cl)O1 ZINC001237081616 1038438971 /nfs/dbraw/zinc/43/89/71/1038438971.db2.gz ZPGRGKFPNNKZGI-BNOWGMLFSA-N 1 2 359.253 2.519 20 10 FFCDLO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)ccc(Cl)c2Cl)O1 ZINC001237081616 1038438973 /nfs/dbraw/zinc/43/89/73/1038438973.db2.gz ZPGRGKFPNNKZGI-BNOWGMLFSA-N 1 2 359.253 2.519 20 10 FFCDLO COc1ccc(C[N@H+](C)Cc2ccon2)c(O)c1I ZINC001248493948 1040299881 /nfs/dbraw/zinc/29/98/81/1040299881.db2.gz BOZXROUUVNTWOW-UHFFFAOYSA-N 1 2 374.178 2.625 20 10 FFCDLO COc1ccc(C[N@@H+](C)Cc2ccon2)c(O)c1I ZINC001248493948 1040299897 /nfs/dbraw/zinc/29/98/97/1040299897.db2.gz BOZXROUUVNTWOW-UHFFFAOYSA-N 1 2 374.178 2.625 20 10 FFCDLO CCOC(=O)c1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)nn1C ZINC001250546695 1041244609 /nfs/dbraw/zinc/24/46/09/1041244609.db2.gz PDHIIMHYYQFLPX-UHFFFAOYSA-N 1 2 356.470 2.829 20 10 FFCDLO CCOC(=O)c1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)nn1C ZINC001250546695 1041244621 /nfs/dbraw/zinc/24/46/21/1041244621.db2.gz PDHIIMHYYQFLPX-UHFFFAOYSA-N 1 2 356.470 2.829 20 10 FFCDLO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001261738550 1041390581 /nfs/dbraw/zinc/39/05/81/1041390581.db2.gz UYOFUDFPRQLIBF-HNNXBMFYSA-N 1 2 372.469 2.833 20 10 FFCDLO COC(=O)c1c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c2cc(F)ccc2n1C ZINC001262112023 1041566546 /nfs/dbraw/zinc/56/65/46/1041566546.db2.gz WWYSHDOLVOGYPZ-NSHDSACASA-N 1 2 370.371 2.554 20 10 FFCDLO COC(=O)c1c(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c2cc(F)ccc2n1C ZINC001262112023 1041566550 /nfs/dbraw/zinc/56/65/50/1041566550.db2.gz WWYSHDOLVOGYPZ-NSHDSACASA-N 1 2 370.371 2.554 20 10 FFCDLO O=C(CCc1ccc[nH]1)N1CC2(C1)C[NH+](Cc1cccc(Cl)c1O)C2 ZINC001279443070 1043118285 /nfs/dbraw/zinc/11/82/85/1043118285.db2.gz VXXUJEXCPSEAPO-UHFFFAOYSA-N 1 2 359.857 2.651 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CCN(c3ncccn3)CC2)cc1Br ZINC001237676281 1043304617 /nfs/dbraw/zinc/30/46/17/1043304617.db2.gz HUPKYSPEIXYTLB-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO CC[N@@H+](CCN1CCCC1)Cc1cccc(I)c1O ZINC001237781445 1043353212 /nfs/dbraw/zinc/35/32/12/1043353212.db2.gz WWHYJHYWOFQNDR-UHFFFAOYSA-N 1 2 374.266 2.915 20 10 FFCDLO Oc1c(I)cccc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237777955 1043351040 /nfs/dbraw/zinc/35/10/40/1043351040.db2.gz QPUMDJPDHIEQJT-BXUZGUMPSA-N 1 2 373.234 2.998 20 10 FFCDLO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1Cl ZINC001279665367 1043430452 /nfs/dbraw/zinc/43/04/52/1043430452.db2.gz JOAJSNLAMVKGTD-IYBDPMFKSA-N 1 2 366.889 2.882 20 10 FFCDLO Cc1cc(F)cc(C[N@@H+]2CCc3onc(C(=O)N(C)C(C)C)c3C2)c1O ZINC001238063042 1043507577 /nfs/dbraw/zinc/50/75/77/1043507577.db2.gz XHBFPBNPDCREHZ-UHFFFAOYSA-N 1 2 361.417 2.866 20 10 FFCDLO Cc1cc(F)cc(C[N@H+]2CCc3onc(C(=O)N(C)C(C)C)c3C2)c1O ZINC001238063042 1043507583 /nfs/dbraw/zinc/50/75/83/1043507583.db2.gz XHBFPBNPDCREHZ-UHFFFAOYSA-N 1 2 361.417 2.866 20 10 FFCDLO Cc1cc(F)cc(C[N@@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001238064738 1043510497 /nfs/dbraw/zinc/51/04/97/1043510497.db2.gz QGPDMAMVJIHOFT-UHFFFAOYSA-N 1 2 366.433 2.661 20 10 FFCDLO Cc1cc(F)cc(C[N@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001238064738 1043510508 /nfs/dbraw/zinc/51/05/08/1043510508.db2.gz QGPDMAMVJIHOFT-UHFFFAOYSA-N 1 2 366.433 2.661 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCc3cc(C(=O)NCC(F)F)[nH]c3C2)cc1 ZINC001279744918 1043575575 /nfs/dbraw/zinc/57/55/75/1043575575.db2.gz YERMDYVODNUJKR-UHFFFAOYSA-N 1 2 362.424 2.634 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCc3cc(C(=O)NCC(F)F)[nH]c3C2)cc1 ZINC001279744918 1043575583 /nfs/dbraw/zinc/57/55/83/1043575583.db2.gz YERMDYVODNUJKR-UHFFFAOYSA-N 1 2 362.424 2.634 20 10 FFCDLO Cc1cc(F)cc(C[NH+]2CC3(CCN3C(=O)Nc3cccnc3)C2)c1O ZINC001280027555 1044100798 /nfs/dbraw/zinc/10/07/98/1044100798.db2.gz DULQWWZXTSGZSV-UHFFFAOYSA-N 1 2 356.401 2.727 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CCCCO2)c(Cl)c1 ZINC001280044494 1044129024 /nfs/dbraw/zinc/12/90/24/1044129024.db2.gz KKZMCQHDFHAZSJ-HNAYVOBHSA-N 1 2 363.889 2.924 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)N2CCCCO2)c(Cl)c1 ZINC001280044494 1044129027 /nfs/dbraw/zinc/12/90/27/1044129027.db2.gz KKZMCQHDFHAZSJ-HNAYVOBHSA-N 1 2 363.889 2.924 20 10 FFCDLO CCN(C(=O)c1n[nH]c2c1CC[N@H+](Cc1ccc(C)cc1O)C2)C(C)C ZINC001280047045 1044134498 /nfs/dbraw/zinc/13/44/98/1044134498.db2.gz VQYVRCFWDDZPNL-UHFFFAOYSA-N 1 2 356.470 2.853 20 10 FFCDLO CCN(C(=O)c1n[nH]c2c1CC[N@@H+](Cc1ccc(C)cc1O)C2)C(C)C ZINC001280047045 1044134504 /nfs/dbraw/zinc/13/45/04/1044134504.db2.gz VQYVRCFWDDZPNL-UHFFFAOYSA-N 1 2 356.470 2.853 20 10 FFCDLO C[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)n1cc[nH+]c1 ZINC001318167512 1045233629 /nfs/dbraw/zinc/23/36/29/1045233629.db2.gz HRPKESHFUPIWQR-ZDUSSCGKSA-N 1 2 364.396 2.831 20 10 FFCDLO C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)n1cc[nH+]c1 ZINC001322290211 1046032330 /nfs/dbraw/zinc/03/23/30/1046032330.db2.gz NTUTZHALBPZFAL-QFBILLFUSA-N 1 2 356.470 2.718 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001540494622 1070907767 /nfs/dbraw/zinc/90/77/67/1070907767.db2.gz YLIOJVJRPNXRNY-HXUWFJFHSA-N 1 2 353.466 2.652 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001540494622 1070907779 /nfs/dbraw/zinc/90/77/79/1070907779.db2.gz YLIOJVJRPNXRNY-HXUWFJFHSA-N 1 2 353.466 2.652 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001332025545 1048216397 /nfs/dbraw/zinc/21/63/97/1048216397.db2.gz QDLBPMNKMOZBRX-ZDUSSCGKSA-N 1 2 374.250 2.657 20 10 FFCDLO CC[NH+]1CCN(c2ccc(CNc3ccc(C(=O)[O-])c[nH+]3)cc2F)CC1 ZINC000737854504 1048659186 /nfs/dbraw/zinc/65/91/86/1048659186.db2.gz UUJVJWOVPYZCIZ-UHFFFAOYSA-N 1 2 358.417 2.673 20 10 FFCDLO CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccccc1O ZINC001339808784 1050228436 /nfs/dbraw/zinc/22/84/36/1050228436.db2.gz AEWCGQCHBLIIPL-SJLPKXTDSA-N 1 2 371.485 2.566 20 10 FFCDLO CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)Cc1ccccc1O ZINC001339808784 1050228446 /nfs/dbraw/zinc/22/84/46/1050228446.db2.gz AEWCGQCHBLIIPL-SJLPKXTDSA-N 1 2 371.485 2.566 20 10 FFCDLO C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)n1cc[nH+]c1 ZINC001337863181 1055069227 /nfs/dbraw/zinc/06/92/27/1055069227.db2.gz ZPUOKCVQZSHCCX-ZNMIVQPWSA-N 1 2 360.433 2.513 20 10 FFCDLO COc1ccc(N(C)CCN(C)C(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC000848244003 1059466896 /nfs/dbraw/zinc/46/68/96/1059466896.db2.gz VTUHWCSQCAYGDC-UHFFFAOYSA-N 1 2 352.438 2.860 20 10 FFCDLO COC(=O)N1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC001461143823 1061222758 /nfs/dbraw/zinc/22/27/58/1061222758.db2.gz QGIQJHLDYLVANR-LLVKDONJSA-N 1 2 361.211 2.614 20 10 FFCDLO COc1ccc(C[N@H+](CCO)Cc2cc(F)c(F)cc2O)c(OC)c1 ZINC001461985735 1061470366 /nfs/dbraw/zinc/47/03/66/1061470366.db2.gz FQSUYKLEAVUOOV-UHFFFAOYSA-N 1 2 353.365 2.682 20 10 FFCDLO COc1ccc(C[N@@H+](CCO)Cc2cc(F)c(F)cc2O)c(OC)c1 ZINC001461985735 1061470374 /nfs/dbraw/zinc/47/03/74/1061470374.db2.gz FQSUYKLEAVUOOV-UHFFFAOYSA-N 1 2 353.365 2.682 20 10 FFCDLO Cc1cccn2cc(CCNC(=O)c3ccc(N=NC(N)=O)cc3)[nH+]c12 ZINC001465600987 1063150546 /nfs/dbraw/zinc/15/05/46/1063150546.db2.gz IGFVSFBYWYNWAV-UHFFFAOYSA-N 1 2 350.382 2.778 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC001473986794 1065434320 /nfs/dbraw/zinc/43/43/20/1065434320.db2.gz PVGCHGUMIXHRNE-LLVKDONJSA-N 1 2 361.747 2.992 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589962162 1080905193 /nfs/dbraw/zinc/90/51/93/1080905193.db2.gz HCLBWWGDNUVMRP-OUJBWJOFSA-N 1 2 371.363 2.723 20 10 FFCDLO C[C@@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589999583 1080929446 /nfs/dbraw/zinc/92/94/46/1080929446.db2.gz XRWRRENEMQIAJM-LZWOXQAQSA-N 1 2 367.453 2.778 20 10 FFCDLO CN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000046802167 507196922 /nfs/dbraw/zinc/19/69/22/507196922.db2.gz HLKILEVMPCJQAH-IBGZPJMESA-N 1 2 369.465 2.607 20 10 FFCDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000114779860 508346613 /nfs/dbraw/zinc/34/66/13/508346613.db2.gz LPDITRACQUNRLC-KRWDZBQOSA-N 1 2 367.497 2.736 20 10 FFCDLO COc1ccc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1F ZINC000133630084 508426829 /nfs/dbraw/zinc/42/68/29/508426829.db2.gz LDVYKXPHAWDPAM-UHFFFAOYSA-N 1 2 371.460 2.941 20 10 FFCDLO COc1ccc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1F ZINC000133630084 508426833 /nfs/dbraw/zinc/42/68/33/508426833.db2.gz LDVYKXPHAWDPAM-UHFFFAOYSA-N 1 2 371.460 2.941 20 10 FFCDLO Cc1c[nH+]ccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000121454217 509174715 /nfs/dbraw/zinc/17/47/15/509174715.db2.gz XBJYBZSCEXXCPT-UHFFFAOYSA-N 1 2 358.417 2.812 20 10 FFCDLO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)C(=O)N1CCOCC1 ZINC000185665606 509294674 /nfs/dbraw/zinc/29/46/74/509294674.db2.gz CIOQUONJXVQKET-ZWNOBZJWSA-N 1 2 361.269 2.987 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2nc3ccccc3o2)cc1 ZINC000268296265 509857801 /nfs/dbraw/zinc/85/78/01/509857801.db2.gz COBHOVWOCSUYLS-UHFFFAOYSA-N 1 2 352.438 2.642 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2nc3ccccc3o2)cc1 ZINC000268296265 509857809 /nfs/dbraw/zinc/85/78/09/509857809.db2.gz COBHOVWOCSUYLS-UHFFFAOYSA-N 1 2 352.438 2.642 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000177170686 509915731 /nfs/dbraw/zinc/91/57/31/509915731.db2.gz LYKVYBASNPTOEH-SNVBAGLBSA-N 1 2 359.875 2.646 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000177170686 509915734 /nfs/dbraw/zinc/91/57/34/509915734.db2.gz LYKVYBASNPTOEH-SNVBAGLBSA-N 1 2 359.875 2.646 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCN(Cc3cc(C)on3)CC2)c1O ZINC000177235995 509953096 /nfs/dbraw/zinc/95/30/96/509953096.db2.gz FYAVRPVTBCUGAX-UHFFFAOYSA-N 1 2 363.845 2.862 20 10 FFCDLO Cc1cc(N2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)nc(C(C)C)[nH+]1 ZINC000177663792 510187647 /nfs/dbraw/zinc/18/76/47/510187647.db2.gz GURFDKLYWPEXFV-UHFFFAOYSA-N 1 2 370.453 2.590 20 10 FFCDLO COC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000184638524 510433622 /nfs/dbraw/zinc/43/36/22/510433622.db2.gz GWMYTHJCZLOFBP-SFHVURJKSA-N 1 2 359.470 2.590 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1O ZINC000187800911 510444226 /nfs/dbraw/zinc/44/42/26/510444226.db2.gz PJZUSPOQENYBDL-KWQFWETISA-N 1 2 352.303 2.874 20 10 FFCDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000184703114 510472616 /nfs/dbraw/zinc/47/26/16/510472616.db2.gz WGVOSELQIGMMGZ-CABCVRRESA-N 1 2 367.829 2.972 20 10 FFCDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000184703114 510472626 /nfs/dbraw/zinc/47/26/26/510472626.db2.gz WGVOSELQIGMMGZ-CABCVRRESA-N 1 2 367.829 2.972 20 10 FFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277663225 510969346 /nfs/dbraw/zinc/96/93/46/510969346.db2.gz RHBDCECQRXGTCE-UHFFFAOYSA-N 1 2 374.529 2.537 20 10 FFCDLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(O)c1O ZINC000282800278 511116501 /nfs/dbraw/zinc/11/65/01/511116501.db2.gz OBBABEZPQZHFPV-CQSZACIVSA-N 1 2 355.438 2.959 20 10 FFCDLO CC[N@H+](Cc1noc(CCOC)n1)Cc1cc(Br)ccc1O ZINC000290085913 511126749 /nfs/dbraw/zinc/12/67/49/511126749.db2.gz VMDAZSCTTWESRN-UHFFFAOYSA-N 1 2 370.247 2.749 20 10 FFCDLO CC[N@@H+](Cc1noc(CCOC)n1)Cc1cc(Br)ccc1O ZINC000290085913 511126754 /nfs/dbraw/zinc/12/67/54/511126754.db2.gz VMDAZSCTTWESRN-UHFFFAOYSA-N 1 2 370.247 2.749 20 10 FFCDLO COc1cc(Cl)cc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000290523247 511144503 /nfs/dbraw/zinc/14/45/03/511144503.db2.gz QDNLRJMLNGHXNT-ZDUSSCGKSA-N 1 2 353.827 2.672 20 10 FFCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290856536 511151266 /nfs/dbraw/zinc/15/12/66/511151266.db2.gz ZWUARHJJWSSRMG-UHFFFAOYSA-N 1 2 365.437 2.835 20 10 FFCDLO COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273544146 511530861 /nfs/dbraw/zinc/53/08/61/511530861.db2.gz ZCZQLLRCPYXWOP-GFCCVEGCSA-N 1 2 360.366 2.703 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N2CCn3cc(C)[nH+]c3C2)cc1F ZINC000363711901 511717397 /nfs/dbraw/zinc/71/73/97/511717397.db2.gz KGMJQAZPHFBPCK-UHFFFAOYSA-N 1 2 359.449 2.902 20 10 FFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366108046 511844324 /nfs/dbraw/zinc/84/43/24/511844324.db2.gz XDJMFIBNKRMGDJ-INIZCTEOSA-N 1 2 355.486 2.953 20 10 FFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366108046 511844331 /nfs/dbraw/zinc/84/43/31/511844331.db2.gz XDJMFIBNKRMGDJ-INIZCTEOSA-N 1 2 355.486 2.953 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000370032496 512735610 /nfs/dbraw/zinc/73/56/10/512735610.db2.gz LKNYAGDHBFALDR-BDJLRTHQSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000370032496 512735614 /nfs/dbraw/zinc/73/56/14/512735614.db2.gz LKNYAGDHBFALDR-BDJLRTHQSA-N 1 2 372.259 2.543 20 10 FFCDLO CC(C)n1cc(CN[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000367968722 512745374 /nfs/dbraw/zinc/74/53/74/512745374.db2.gz RSDLUTHWTVNVJT-MRXNPFEDSA-N 1 2 363.893 2.972 20 10 FFCDLO CC(C)n1cc(CN[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000367968722 512745380 /nfs/dbraw/zinc/74/53/80/512745380.db2.gz RSDLUTHWTVNVJT-MRXNPFEDSA-N 1 2 363.893 2.972 20 10 FFCDLO C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000134913732 728734055 /nfs/dbraw/zinc/73/40/55/728734055.db2.gz AUZZCHBPCBACHJ-RNFRBKRXSA-N 1 2 353.054 2.949 20 10 FFCDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779028341 738430843 /nfs/dbraw/zinc/43/08/43/738430843.db2.gz HFFXNQPYMBQTGY-LRDDRELGSA-N 1 2 354.422 2.645 20 10 FFCDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779028341 738430845 /nfs/dbraw/zinc/43/08/45/738430845.db2.gz HFFXNQPYMBQTGY-LRDDRELGSA-N 1 2 354.422 2.645 20 10 FFCDLO CC[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cccc(Cl)c1O ZINC000858465915 730426509 /nfs/dbraw/zinc/42/65/09/730426509.db2.gz QGRITCHIIRMCOK-QFBILLFUSA-N 1 2 368.905 2.702 20 10 FFCDLO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000862513769 730705874 /nfs/dbraw/zinc/70/58/74/730705874.db2.gz VIFLVROVCFHMBY-CYBMUJFWSA-N 1 2 374.840 2.910 20 10 FFCDLO Cc1cc(Br)cc(C[NH+]2CCN(C(=O)C(C)C)CC2)c1O ZINC000775647608 738109043 /nfs/dbraw/zinc/10/90/43/738109043.db2.gz ZCIODZNPNPNBFR-UHFFFAOYSA-N 1 2 355.276 2.763 20 10 FFCDLO [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C(F)(F)F ZINC000873227505 731893421 /nfs/dbraw/zinc/89/34/21/731893421.db2.gz KTLFRKIQJIEDBY-WPRPVWTQSA-N 1 2 353.728 2.523 20 10 FFCDLO [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C(F)(F)F ZINC000873227505 731893426 /nfs/dbraw/zinc/89/34/26/731893426.db2.gz KTLFRKIQJIEDBY-WPRPVWTQSA-N 1 2 353.728 2.523 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)cc(F)c1O ZINC000926947527 738671808 /nfs/dbraw/zinc/67/18/08/738671808.db2.gz KENSLBJWCLSGGL-SAOAKYDJSA-N 1 2 360.223 2.748 20 10 FFCDLO CN(C)Cc1csc(C[NH2+]Cc2cccc(Br)c2O)n1 ZINC000722379967 734384139 /nfs/dbraw/zinc/38/41/39/734384139.db2.gz FCLGTZJZTKQKDA-UHFFFAOYSA-N 1 2 356.289 2.963 20 10 FFCDLO O=C(CC[NH2+]Cc1cccc(Br)c1O)Nc1ccccn1 ZINC000725848739 734396076 /nfs/dbraw/zinc/39/60/76/734396076.db2.gz FYBQLXUWEVIQEV-UHFFFAOYSA-N 1 2 350.216 2.668 20 10 FFCDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000894747203 734909240 /nfs/dbraw/zinc/90/92/40/734909240.db2.gz IRWFWFNGGILBRF-FZMZJTMJSA-N 1 2 373.266 2.589 20 10 FFCDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000894747203 734909245 /nfs/dbraw/zinc/90/92/45/734909245.db2.gz IRWFWFNGGILBRF-FZMZJTMJSA-N 1 2 373.266 2.589 20 10 FFCDLO OC[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1C(F)(F)F ZINC000895445662 735007244 /nfs/dbraw/zinc/00/72/44/735007244.db2.gz VQDQNHRLSJRNQT-WCBMZHEXSA-N 1 2 372.156 2.896 20 10 FFCDLO OC[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1C(F)(F)F ZINC000895445662 735007247 /nfs/dbraw/zinc/00/72/47/735007247.db2.gz VQDQNHRLSJRNQT-WCBMZHEXSA-N 1 2 372.156 2.896 20 10 FFCDLO O=c1[nH]c2cccc(N3CC[NH+](Cc4cccc(Cl)c4O)CC3)c2[nH]1 ZINC000896749884 735182329 /nfs/dbraw/zinc/18/23/29/735182329.db2.gz ZXDKAOWMYMFAPJ-UHFFFAOYSA-N 1 2 358.829 2.950 20 10 FFCDLO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Br)c(F)cc1O ZINC000903212636 736056428 /nfs/dbraw/zinc/05/64/28/736056428.db2.gz IQQTUQBSVOQAHO-UWVGGRQHSA-N 1 2 359.239 2.813 20 10 FFCDLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)c(F)cc1O ZINC000756389994 736327378 /nfs/dbraw/zinc/32/73/78/736327378.db2.gz FTAUZWFFMPAHOC-MRVPVSSYSA-N 1 2 355.211 2.682 20 10 FFCDLO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)c(F)cc1O ZINC000756542477 736340796 /nfs/dbraw/zinc/34/07/96/736340796.db2.gz ANOQJIMKGGQVME-QWRGUYRKSA-N 1 2 361.255 2.665 20 10 FFCDLO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756654614 736349932 /nfs/dbraw/zinc/34/99/32/736349932.db2.gz LJZYLQHSYBRHFC-NXEZZACHSA-N 1 2 359.239 2.955 20 10 FFCDLO COc1cccc(C[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1O ZINC000770322022 737615852 /nfs/dbraw/zinc/61/58/52/737615852.db2.gz CUJTZHVBKSYDDJ-UHFFFAOYSA-N 1 2 360.841 2.899 20 10 FFCDLO COc1cccc(C[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1O ZINC000770322022 737615858 /nfs/dbraw/zinc/61/58/58/737615858.db2.gz CUJTZHVBKSYDDJ-UHFFFAOYSA-N 1 2 360.841 2.899 20 10 FFCDLO Cc1cccn2cc(CC(=O)NCc3cc(Br)ccc3O)[nH+]c12 ZINC000804735217 740900699 /nfs/dbraw/zinc/90/06/99/740900699.db2.gz PTSLWZSRUAHSBL-UHFFFAOYSA-N 1 2 374.238 2.970 20 10 FFCDLO C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(Br)cc(F)c1O ZINC000806664657 741079109 /nfs/dbraw/zinc/07/91/09/741079109.db2.gz XBCKPNWTJDDAQF-SECBINFHSA-N 1 2 350.228 2.732 20 10 FFCDLO Oc1c(Cl)cc(Cl)cc1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000808090150 741184940 /nfs/dbraw/zinc/18/49/40/741184940.db2.gz QYWJQJARRFPCBB-UHFFFAOYSA-N 1 2 355.225 2.938 20 10 FFCDLO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000810256631 741402355 /nfs/dbraw/zinc/40/23/55/741402355.db2.gz CMPMFVPDTZEJLO-ONGXEEELSA-N 1 2 350.228 2.996 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c1O ZINC000815189044 741910276 /nfs/dbraw/zinc/91/02/76/741910276.db2.gz GFLSFRODIUFMHL-UHFFFAOYSA-N 1 2 354.834 2.911 20 10 FFCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824564027 743106473 /nfs/dbraw/zinc/10/64/73/743106473.db2.gz FYQRNXLTBDUYET-LBPRGKRZSA-N 1 2 362.829 2.502 20 10 FFCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824564027 743106476 /nfs/dbraw/zinc/10/64/76/743106476.db2.gz FYQRNXLTBDUYET-LBPRGKRZSA-N 1 2 362.829 2.502 20 10 FFCDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(Br)cc3O)[C@H]2C1 ZINC000824943907 743183834 /nfs/dbraw/zinc/18/38/34/743183834.db2.gz VYGVYJYGDZPXES-IJEWVQPXSA-N 1 2 356.260 2.923 20 10 FFCDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(Br)cc3O)[C@H]2C1 ZINC000824943907 743183837 /nfs/dbraw/zinc/18/38/37/743183837.db2.gz VYGVYJYGDZPXES-IJEWVQPXSA-N 1 2 356.260 2.923 20 10 FFCDLO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000825327316 743249557 /nfs/dbraw/zinc/24/95/57/743249557.db2.gz SGSUSLIBVWLPBI-GXTWGEPZSA-N 1 2 366.259 2.898 20 10 FFCDLO C[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)Cn1cc[nH+]c1 ZINC000844175533 747983368 /nfs/dbraw/zinc/98/33/68/747983368.db2.gz JCOQDOACVLRLAV-ZDUSSCGKSA-N 1 2 355.467 2.579 20 10 FFCDLO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000848546572 748956504 /nfs/dbraw/zinc/95/65/04/748956504.db2.gz BPEBVJAPKOBHLE-BDAKNGLRSA-N 1 2 355.236 2.704 20 10 FFCDLO CCOC(=O)c1cc(C[NH+]2CCN(c3ccc(OCC)cc3)CC2)on1 ZINC001168331337 982948253 /nfs/dbraw/zinc/94/82/53/982948253.db2.gz CVWURHXCXQSRAU-UHFFFAOYSA-N 1 2 359.426 2.572 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)ccc21 ZINC000672149186 987204821 /nfs/dbraw/zinc/20/48/21/987204821.db2.gz IKKRAVHNESEPPE-QGZVFWFLSA-N 1 2 366.465 2.846 20 10 FFCDLO CN1CCCc2cc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc21 ZINC000152914863 987490997 /nfs/dbraw/zinc/49/09/97/987490997.db2.gz RLJNSETYHAEYPI-LJQANCHMSA-N 1 2 366.465 2.827 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)CC3CCCCC3)CC2)cc1 ZINC000916984400 990085731 /nfs/dbraw/zinc/08/57/31/990085731.db2.gz GNQWLHMRUHMYIY-UHFFFAOYSA-N 1 2 359.514 2.856 20 10 FFCDLO COc1ccc(C(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)c(OC)c1 ZINC000179948995 991380279 /nfs/dbraw/zinc/38/02/79/991380279.db2.gz BRYCAIMTYNBKRJ-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)c3ccco3)CC2)cc1 ZINC000069066691 991577449 /nfs/dbraw/zinc/57/74/49/991577449.db2.gz MFWAFLHVPCRDFG-MRXNPFEDSA-N 1 2 357.454 2.630 20 10 FFCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)c3ccco3)CC2)cc1 ZINC000069066691 991577459 /nfs/dbraw/zinc/57/74/59/991577459.db2.gz MFWAFLHVPCRDFG-MRXNPFEDSA-N 1 2 357.454 2.630 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC3(C2)CCCCCC3)cc1 ZINC000763659407 992698467 /nfs/dbraw/zinc/69/84/67/992698467.db2.gz LDKRTQJXZYCIFO-UHFFFAOYSA-N 1 2 359.514 2.794 20 10 FFCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC3(C2)CCCCCC3)cc1 ZINC000763659407 992698472 /nfs/dbraw/zinc/69/84/72/992698472.db2.gz LDKRTQJXZYCIFO-UHFFFAOYSA-N 1 2 359.514 2.794 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)cc1 ZINC000824374705 996920156 /nfs/dbraw/zinc/92/01/56/996920156.db2.gz YHRFAQQGLFGPDF-QFBILLFUSA-N 1 2 356.470 2.874 20 10 FFCDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)ccc1N1CCCCC1 ZINC000824603180 997007319 /nfs/dbraw/zinc/00/73/19/997007319.db2.gz NCTWPPSCLVZIFE-UHFFFAOYSA-N 1 2 356.430 2.870 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825441261 997377376 /nfs/dbraw/zinc/37/73/76/997377376.db2.gz NLTDBWZZCRUJGJ-YOEHRIQHSA-N 1 2 365.470 2.851 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825441261 997377385 /nfs/dbraw/zinc/37/73/85/997377385.db2.gz NLTDBWZZCRUJGJ-YOEHRIQHSA-N 1 2 365.470 2.851 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](OCCO)C2)c(C)n1-c1cccc(F)c1 ZINC000734485993 999296241 /nfs/dbraw/zinc/29/62/41/999296241.db2.gz XHMLXHHPTMSJBY-IBGZPJMESA-N 1 2 374.456 2.889 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](OCCO)C2)c(C)n1-c1cccc(F)c1 ZINC000734485993 999296242 /nfs/dbraw/zinc/29/62/42/999296242.db2.gz XHMLXHHPTMSJBY-IBGZPJMESA-N 1 2 374.456 2.889 20 10 FFCDLO COCC[N@H+](CCO)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000738323633 999625324 /nfs/dbraw/zinc/62/53/24/999625324.db2.gz KSSGGPNNDUFPCN-UHFFFAOYSA-N 1 2 356.426 2.981 20 10 FFCDLO COCC[N@@H+](CCO)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000738323633 999625326 /nfs/dbraw/zinc/62/53/26/999625326.db2.gz KSSGGPNNDUFPCN-UHFFFAOYSA-N 1 2 356.426 2.981 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000746386396 999985242 /nfs/dbraw/zinc/98/52/42/999985242.db2.gz QFRLIWLXTDQNLB-UHFFFAOYSA-N 1 2 356.422 2.728 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000746386396 999985243 /nfs/dbraw/zinc/98/52/43/999985243.db2.gz QFRLIWLXTDQNLB-UHFFFAOYSA-N 1 2 356.422 2.728 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)c3c[nH]c4ncccc34)CC2)cc1 ZINC000767360951 1000111508 /nfs/dbraw/zinc/11/15/08/1000111508.db2.gz LNSQXIORPMQCEI-HNNXBMFYSA-N 1 2 364.449 2.965 20 10 FFCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000768208460 1000191844 /nfs/dbraw/zinc/19/18/44/1000191844.db2.gz QOWFXSFQTSGWKW-UHFFFAOYSA-N 1 2 374.506 2.559 20 10 FFCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000768208460 1000191849 /nfs/dbraw/zinc/19/18/49/1000191849.db2.gz QOWFXSFQTSGWKW-UHFFFAOYSA-N 1 2 374.506 2.559 20 10 FFCDLO CCOc1ccc(C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c(O)c1 ZINC000769483166 1000521040 /nfs/dbraw/zinc/52/10/40/1000521040.db2.gz NBXFQKTVYSCURV-UHFFFAOYSA-N 1 2 358.413 2.774 20 10 FFCDLO CCOc1ccc(C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c(O)c1 ZINC000769483166 1000521045 /nfs/dbraw/zinc/52/10/45/1000521045.db2.gz NBXFQKTVYSCURV-UHFFFAOYSA-N 1 2 358.413 2.774 20 10 FFCDLO O=C(c1cccc2[nH+]ccn21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000770652694 1000881029 /nfs/dbraw/zinc/88/10/29/1000881029.db2.gz KLFUKDGOIOOAFJ-MRXNPFEDSA-N 1 2 351.406 2.861 20 10 FFCDLO COc1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c(O)c1 ZINC000792794311 1003180963 /nfs/dbraw/zinc/18/09/63/1003180963.db2.gz VSBSETSNNPBXDE-UHFFFAOYSA-N 1 2 366.421 2.645 20 10 FFCDLO Cc1cc(C)c(CNC(=O)c2ccccc2C[NH+]2CCOCC2)c(O)c1 ZINC001187450036 1006088669 /nfs/dbraw/zinc/08/86/69/1006088669.db2.gz MKEQYEUVTIJWQE-UHFFFAOYSA-N 1 2 354.450 2.771 20 10 FFCDLO COC(=O)N1CCN(c2ccc(NCc3cc(C)ccc3O)c[nH+]2)CC1 ZINC000815158894 1006524120 /nfs/dbraw/zinc/52/41/20/1006524120.db2.gz WCAIVTWSOWEVON-UHFFFAOYSA-N 1 2 356.426 2.596 20 10 FFCDLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC1CC1 ZINC000822503648 1008658629 /nfs/dbraw/zinc/65/86/29/1008658629.db2.gz JXCPLPGULPUHMB-GOSISDBHSA-N 1 2 366.414 2.863 20 10 FFCDLO CC[C@](C)(C(=O)OC)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC1CC1 ZINC000822503648 1008658633 /nfs/dbraw/zinc/65/86/33/1008658633.db2.gz JXCPLPGULPUHMB-GOSISDBHSA-N 1 2 366.414 2.863 20 10 FFCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000773740301 1008952799 /nfs/dbraw/zinc/95/27/99/1008952799.db2.gz CQACQLLYUSSEJL-AWEZNQCLSA-N 1 2 351.406 2.704 20 10 FFCDLO O=C(NCc1ccc2cccnc2c1O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000862027874 1009669176 /nfs/dbraw/zinc/66/91/76/1009669176.db2.gz IGXHTRHHNAIKOA-GOSISDBHSA-N 1 2 362.433 2.616 20 10 FFCDLO O=C(NCc1ccc2cccnc2c1O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000862027874 1009669190 /nfs/dbraw/zinc/66/91/90/1009669190.db2.gz IGXHTRHHNAIKOA-GOSISDBHSA-N 1 2 362.433 2.616 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3cnc(C4CC4)o3)CC2)cc(OC)c1OC ZINC000862326375 1009792466 /nfs/dbraw/zinc/79/24/66/1009792466.db2.gz NBHWSHDVQKMVAC-UHFFFAOYSA-N 1 2 373.453 2.900 20 10 FFCDLO C[C@H]1CN(c2ccc(CNC(=O)CCCn3cc[nH+]c3)cc2F)C[C@H](C)O1 ZINC000748625369 1017451874 /nfs/dbraw/zinc/45/18/74/1017451874.db2.gz ZPPMPPSUDHBFIP-HOTGVXAUSA-N 1 2 374.460 2.732 20 10 FFCDLO COC(=O)N1CCC[N@H+](Cc2cc(C)cc(Br)c2O)CC1 ZINC001116525979 1021263596 /nfs/dbraw/zinc/26/35/96/1021263596.db2.gz LTTKRGIEOWDPMZ-UHFFFAOYSA-N 1 2 357.248 2.737 20 10 FFCDLO COC(=O)N1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)CC1 ZINC001116525979 1021263605 /nfs/dbraw/zinc/26/36/05/1021263605.db2.gz LTTKRGIEOWDPMZ-UHFFFAOYSA-N 1 2 357.248 2.737 20 10 FFCDLO Cc1nc(NCc2cccc(C(=O)NCc3ccc(O)c(O)c3)c2)cc[nH+]1 ZINC000755529858 1023606984 /nfs/dbraw/zinc/60/69/84/1023606984.db2.gz KLVDEOWZFOWWPB-UHFFFAOYSA-N 1 2 364.405 2.738 20 10 FFCDLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)[nH+]1 ZINC000839515797 1026710944 /nfs/dbraw/zinc/71/09/44/1026710944.db2.gz CHFDJAOWFHZTCT-CQSZACIVSA-N 1 2 354.454 2.889 20 10 FFCDLO CNC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000839667372 1026786202 /nfs/dbraw/zinc/78/62/02/1026786202.db2.gz VFSHFLGASFEQOL-UHFFFAOYSA-N 1 2 368.481 2.670 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)cc1 ZINC000839953135 1026879897 /nfs/dbraw/zinc/87/98/97/1026879897.db2.gz OPSQQOGXONXSDQ-AWQBJMPUSA-N 1 2 355.482 2.563 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)cc1 ZINC000839953135 1026879904 /nfs/dbraw/zinc/87/99/04/1026879904.db2.gz OPSQQOGXONXSDQ-AWQBJMPUSA-N 1 2 355.482 2.563 20 10 FFCDLO COc1cccc(CC(=O)N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1 ZINC000092536202 1027358454 /nfs/dbraw/zinc/35/84/54/1027358454.db2.gz YBSNNDNGWKBCGD-UHFFFAOYSA-N 1 2 374.868 2.941 20 10 FFCDLO COc1cc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)cc(O)c1O ZINC001204342179 1031237747 /nfs/dbraw/zinc/23/77/47/1031237747.db2.gz JLIJQHPKVDQZHR-UHFFFAOYSA-N 1 2 364.442 2.549 20 10 FFCDLO O=C1[C@@H]2CCC[N@@H+](Cc3cccc(F)c3O)[C@H]2C(=O)N1Cc1ccccc1 ZINC001138128363 1033813691 /nfs/dbraw/zinc/81/36/91/1033813691.db2.gz FRJAIAJAEHRSGD-SJLPKXTDSA-N 1 2 368.408 2.681 20 10 FFCDLO O=C1[C@@H]2CCC[N@H+](Cc3cccc(F)c3O)[C@H]2C(=O)N1Cc1ccccc1 ZINC001138128363 1033813697 /nfs/dbraw/zinc/81/36/97/1033813697.db2.gz FRJAIAJAEHRSGD-SJLPKXTDSA-N 1 2 368.408 2.681 20 10 FFCDLO CCn1nnc2c1CC[N@H+](Cc1c(C)n(C)c3ccccc31)[C@H]2COC ZINC001138253973 1034021881 /nfs/dbraw/zinc/02/18/81/1034021881.db2.gz MMWKFFWGCAOQDU-IBGZPJMESA-N 1 2 353.470 2.844 20 10 FFCDLO CCn1nnc2c1CC[N@@H+](Cc1c(C)n(C)c3ccccc31)[C@H]2COC ZINC001138253973 1034021896 /nfs/dbraw/zinc/02/18/96/1034021896.db2.gz MMWKFFWGCAOQDU-IBGZPJMESA-N 1 2 353.470 2.844 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097475 1034516498 /nfs/dbraw/zinc/51/64/98/1034516498.db2.gz HSFCQFRIUCHAJC-DJJJIMSYSA-N 1 2 368.424 2.520 20 10 FFCDLO Cc1cccc(N2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)n1 ZINC001139126466 1034956440 /nfs/dbraw/zinc/95/64/40/1034956440.db2.gz IMABQMRMJXFZFV-UHFFFAOYSA-N 1 2 365.433 2.833 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCN(C)c2ncccc2C1 ZINC001139127786 1034958251 /nfs/dbraw/zinc/95/82/51/1034958251.db2.gz PCBNMDLBUMIVGB-UHFFFAOYSA-N 1 2 351.406 2.654 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCN(C)c2ncccc2C1 ZINC001139127786 1034958258 /nfs/dbraw/zinc/95/82/58/1034958258.db2.gz PCBNMDLBUMIVGB-UHFFFAOYSA-N 1 2 351.406 2.654 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001139133843 1034962067 /nfs/dbraw/zinc/96/20/67/1034962067.db2.gz SSHSDSVGNRRVQJ-CQSZACIVSA-N 1 2 367.405 2.640 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001139133843 1034962076 /nfs/dbraw/zinc/96/20/76/1034962076.db2.gz SSHSDSVGNRRVQJ-CQSZACIVSA-N 1 2 367.405 2.640 20 10 FFCDLO CCNC(=O)OC1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139132956 1034962737 /nfs/dbraw/zinc/96/27/37/1034962737.db2.gz CWLLYWUIADTLEU-UHFFFAOYSA-N 1 2 360.410 2.518 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3ccc(C(=O)OC)cn3)CC2)cc1 ZINC001139496399 1035136009 /nfs/dbraw/zinc/13/60/09/1035136009.db2.gz RVEWXDQUBUQKBA-UHFFFAOYSA-N 1 2 355.438 2.589 20 10 FFCDLO CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681547 1035196902 /nfs/dbraw/zinc/19/69/02/1035196902.db2.gz SRSMUDIBDVTUAN-LJQANCHMSA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681547 1035196904 /nfs/dbraw/zinc/19/69/04/1035196904.db2.gz SRSMUDIBDVTUAN-LJQANCHMSA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681547 1035196906 /nfs/dbraw/zinc/19/69/06/1035196906.db2.gz SRSMUDIBDVTUAN-LJQANCHMSA-N 1 2 354.441 2.993 20 10 FFCDLO CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681547 1035196907 /nfs/dbraw/zinc/19/69/07/1035196907.db2.gz SRSMUDIBDVTUAN-LJQANCHMSA-N 1 2 354.441 2.993 20 10 FFCDLO c1cncc(COc2ccc(N3CC[NH+](Cc4ccnnc4)CC3)cc2)c1 ZINC001139987216 1035298501 /nfs/dbraw/zinc/29/85/01/1035298501.db2.gz KRYNNHCHNKNLLQ-UHFFFAOYSA-N 1 2 361.449 2.773 20 10 FFCDLO O=C(Nc1cccnc1)c1noc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001140055706 1035325046 /nfs/dbraw/zinc/32/50/46/1035325046.db2.gz QDUQCQTXFSVUHC-UHFFFAOYSA-N 1 2 368.368 2.725 20 10 FFCDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000835025369 1035488989 /nfs/dbraw/zinc/48/89/89/1035488989.db2.gz IOLQGQAYFGQZAC-WAYWQWQTSA-N 1 2 365.477 2.929 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1F ZINC000835057562 1035495129 /nfs/dbraw/zinc/49/51/29/1035495129.db2.gz DKSOTMNQJKSGEU-UHFFFAOYSA-N 1 2 359.405 2.517 20 10 FFCDLO CCOc1cccc(N2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)n1 ZINC001232262720 1035534210 /nfs/dbraw/zinc/53/42/10/1035534210.db2.gz NNGYLDYKYYAVOT-UHFFFAOYSA-N 1 2 363.845 2.867 20 10 FFCDLO O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581063 1035660532 /nfs/dbraw/zinc/66/05/32/1035660532.db2.gz PKNTYUIWSUCKEM-OXJNMPFZSA-N 1 2 358.388 2.776 20 10 FFCDLO O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581063 1035660541 /nfs/dbraw/zinc/66/05/41/1035660541.db2.gz PKNTYUIWSUCKEM-OXJNMPFZSA-N 1 2 358.388 2.776 20 10 FFCDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277231233 1035666888 /nfs/dbraw/zinc/66/68/88/1035666888.db2.gz AASPXCHFMRYSOG-IUIKQTSFSA-N 1 2 350.846 2.588 20 10 FFCDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Cl)c1O ZINC001277231233 1035666900 /nfs/dbraw/zinc/66/69/00/1035666900.db2.gz AASPXCHFMRYSOG-IUIKQTSFSA-N 1 2 350.846 2.588 20 10 FFCDLO CC[NH+]1CCC(Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)CC1 ZINC001228517839 1036153462 /nfs/dbraw/zinc/15/34/62/1036153462.db2.gz YUHKOXFLUFAKFC-UHFFFAOYSA-N 1 2 373.405 2.603 20 10 FFCDLO C[N@@H+]1CCC[C@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)CC1 ZINC001228516816 1036154377 /nfs/dbraw/zinc/15/43/77/1036154377.db2.gz OPMMPAAEOBNTSQ-AWEZNQCLSA-N 1 2 373.405 2.603 20 10 FFCDLO C[N@H+]1CCC[C@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)CC1 ZINC001228516816 1036154381 /nfs/dbraw/zinc/15/43/81/1036154381.db2.gz OPMMPAAEOBNTSQ-AWEZNQCLSA-N 1 2 373.405 2.603 20 10 FFCDLO O=C1NCCC2(CC[NH+](Cc3c(O)cc(Br)cc3F)CC2)O1 ZINC001233030452 1036269563 /nfs/dbraw/zinc/26/95/63/1036269563.db2.gz UIJPQHVHNZRDNM-UHFFFAOYSA-N 1 2 373.222 2.758 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CCc3c(nnn3CC)[C@H]2COC)c(O)c1 ZINC001140853377 1036286472 /nfs/dbraw/zinc/28/64/72/1036286472.db2.gz VZZDQKLBWHYGRW-GOSISDBHSA-N 1 2 373.501 2.596 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CCc3c(nnn3CC)[C@H]2COC)c(O)c1 ZINC001140853377 1036286486 /nfs/dbraw/zinc/28/64/86/1036286486.db2.gz VZZDQKLBWHYGRW-GOSISDBHSA-N 1 2 373.501 2.596 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233454659 1036634644 /nfs/dbraw/zinc/63/46/44/1036634644.db2.gz DWWXNNDKWPAMPI-DEZZGGKRSA-N 1 2 359.344 2.563 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233454659 1036634651 /nfs/dbraw/zinc/63/46/51/1036634651.db2.gz DWWXNNDKWPAMPI-DEZZGGKRSA-N 1 2 359.344 2.563 20 10 FFCDLO O=C1N(CC(F)F)CC[C@]12CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387353 1036673404 /nfs/dbraw/zinc/67/34/04/1036673404.db2.gz HQQSYQATYOQCHP-INIZCTEOSA-N 1 2 362.779 2.874 20 10 FFCDLO O=C1N(CC(F)F)CC[C@]12CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001277387353 1036673409 /nfs/dbraw/zinc/67/34/09/1036673409.db2.gz HQQSYQATYOQCHP-INIZCTEOSA-N 1 2 362.779 2.874 20 10 FFCDLO Cc1cc(O[C@H]2CCC[N@@H+](C)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001229543346 1036732895 /nfs/dbraw/zinc/73/28/95/1036732895.db2.gz ZEGZMNKJQZYMRE-ZDUSSCGKSA-N 1 2 351.402 2.949 20 10 FFCDLO Cc1cc(O[C@H]2CCC[N@H+](C)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001229543346 1036732914 /nfs/dbraw/zinc/73/29/14/1036732914.db2.gz ZEGZMNKJQZYMRE-ZDUSSCGKSA-N 1 2 351.402 2.949 20 10 FFCDLO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235064499 1037337085 /nfs/dbraw/zinc/33/70/85/1037337085.db2.gz FRJBREQZKDQGSY-JTQLQIEISA-N 1 2 359.239 2.594 20 10 FFCDLO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235064499 1037337090 /nfs/dbraw/zinc/33/70/90/1037337090.db2.gz FRJBREQZKDQGSY-JTQLQIEISA-N 1 2 359.239 2.594 20 10 FFCDLO Oc1c(Br)cc(F)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001235302072 1037461983 /nfs/dbraw/zinc/46/19/83/1037461983.db2.gz LUCMGQPIKMUHNC-AWEZNQCLSA-N 1 2 373.266 2.590 20 10 FFCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)CC12CC2 ZINC001235306964 1037465667 /nfs/dbraw/zinc/46/56/67/1037465667.db2.gz IJPKNAAJFKRCPQ-LLVKDONJSA-N 1 2 358.207 2.679 20 10 FFCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)CC12CC2 ZINC001235306964 1037465674 /nfs/dbraw/zinc/46/56/74/1037465674.db2.gz IJPKNAAJFKRCPQ-LLVKDONJSA-N 1 2 358.207 2.679 20 10 FFCDLO CCN1CC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)[C@H](COC)C1=O ZINC001231911298 1038007095 /nfs/dbraw/zinc/00/70/95/1038007095.db2.gz IZCVRUJFDUZUSM-OAHLLOKOSA-N 1 2 366.889 2.753 20 10 FFCDLO CN(C)c1cc(NC(=O)NCc2cccc(Br)c2O)cc[nH+]1 ZINC001208182548 1038116589 /nfs/dbraw/zinc/11/65/89/1038116589.db2.gz GJDVCZDMIZJGJT-UHFFFAOYSA-N 1 2 365.231 2.937 20 10 FFCDLO Oc1cc(C[NH+]2CCN(c3cccnc3)CC2)c(O)cc1Br ZINC001236766889 1038252254 /nfs/dbraw/zinc/25/22/54/1038252254.db2.gz JQLHWSHBKFZRNW-UHFFFAOYSA-N 1 2 364.243 2.578 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cnn(C)c21 ZINC001236797324 1038276859 /nfs/dbraw/zinc/27/68/59/1038276859.db2.gz LVLLCXZXAIDNOR-ZDUSSCGKSA-N 1 2 365.861 2.924 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cnn(C)c21 ZINC001236797324 1038276869 /nfs/dbraw/zinc/27/68/69/1038276869.db2.gz LVLLCXZXAIDNOR-ZDUSSCGKSA-N 1 2 365.861 2.924 20 10 FFCDLO CCN1CC2(CC1=O)CC[NH+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001236809938 1038283105 /nfs/dbraw/zinc/28/31/05/1038283105.db2.gz PASHBFUXYHEJMV-UHFFFAOYSA-N 1 2 352.862 2.889 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@H](O)COc2ccccc2)C1 ZINC001251189475 1038998020 /nfs/dbraw/zinc/99/80/20/1038998020.db2.gz MJIZMUCYAYDAIC-INIZCTEOSA-N 1 2 366.461 2.985 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC001251189475 1038998025 /nfs/dbraw/zinc/99/80/25/1038998025.db2.gz MJIZMUCYAYDAIC-INIZCTEOSA-N 1 2 366.461 2.985 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210312011 1039481674 /nfs/dbraw/zinc/48/16/74/1039481674.db2.gz RWYNDKBFXRFHGL-QGZVFWFLSA-N 1 2 364.445 2.824 20 10 FFCDLO O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC001538528640 1070448699 /nfs/dbraw/zinc/44/86/99/1070448699.db2.gz ZMKUCWXKEGMQHX-UHFFFAOYSA-N 1 2 355.419 2.670 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c(Cl)c1 ZINC001279333993 1043008062 /nfs/dbraw/zinc/00/80/62/1043008062.db2.gz WFKSVHYXUQDIJF-HDICACEKSA-N 1 2 359.905 2.978 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c(Cl)c1 ZINC001279333993 1043008066 /nfs/dbraw/zinc/00/80/66/1043008066.db2.gz WFKSVHYXUQDIJF-HDICACEKSA-N 1 2 359.905 2.978 20 10 FFCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1c(C)cccc1O ZINC001237485073 1043197325 /nfs/dbraw/zinc/19/73/25/1043197325.db2.gz DASKCUOZXZMAMG-GOSISDBHSA-N 1 2 356.470 2.714 20 10 FFCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1c(C)cccc1O ZINC001237485073 1043197331 /nfs/dbraw/zinc/19/73/31/1043197331.db2.gz DASKCUOZXZMAMG-GOSISDBHSA-N 1 2 356.470 2.714 20 10 FFCDLO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001279505565 1043200427 /nfs/dbraw/zinc/20/04/27/1043200427.db2.gz QFENZBCRTAAPFA-GASCZTMLSA-N 1 2 374.403 2.680 20 10 FFCDLO COCCOCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001279505565 1043200440 /nfs/dbraw/zinc/20/04/40/1043200440.db2.gz QFENZBCRTAAPFA-GASCZTMLSA-N 1 2 374.403 2.680 20 10 FFCDLO CCC1=NC2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)C(=O)N1C ZINC001237624114 1043278941 /nfs/dbraw/zinc/27/89/41/1043278941.db2.gz YRUMHKZXDMPSCC-UHFFFAOYSA-N 1 2 353.825 2.800 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)cc1Br ZINC001237683604 1043308921 /nfs/dbraw/zinc/30/89/21/1043308921.db2.gz CWXQOCQWLNORAP-STQMWFEESA-N 1 2 369.303 2.757 20 10 FFCDLO Cc1cc(O)c(CN2CC([NH+]3C[C@H](C)O[C@@H](C)C3)C2)cc1Br ZINC001237683604 1043308929 /nfs/dbraw/zinc/30/89/29/1043308929.db2.gz CWXQOCQWLNORAP-STQMWFEESA-N 1 2 369.303 2.757 20 10 FFCDLO Oc1c(I)cccc1C[N@@H+]1CCc2cnccc2C1 ZINC001237778803 1043354287 /nfs/dbraw/zinc/35/42/87/1043354287.db2.gz BDPTUVIMFLBRFQ-UHFFFAOYSA-N 1 2 366.202 2.950 20 10 FFCDLO Oc1c(I)cccc1C[N@H+]1CCc2cnccc2C1 ZINC001237778803 1043354299 /nfs/dbraw/zinc/35/42/99/1043354299.db2.gz BDPTUVIMFLBRFQ-UHFFFAOYSA-N 1 2 366.202 2.950 20 10 FFCDLO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237806412 1043369558 /nfs/dbraw/zinc/36/95/58/1043369558.db2.gz VMAVDGYWAGQPIA-UHFFFAOYSA-N 1 2 367.808 2.616 20 10 FFCDLO CCOC(=O)c1cnc2n1CC[N@H+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237806412 1043369566 /nfs/dbraw/zinc/36/95/66/1043369566.db2.gz VMAVDGYWAGQPIA-UHFFFAOYSA-N 1 2 367.808 2.616 20 10 FFCDLO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4cc(F)cc(Cl)c4O)C[C@H]3O2)n1 ZINC001237811918 1043373698 /nfs/dbraw/zinc/37/36/98/1043373698.db2.gz CZFWXRBIHKQOKU-PSOPSSQASA-N 1 2 367.808 2.708 20 10 FFCDLO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4cc(F)cc(Cl)c4O)C[C@H]3O2)n1 ZINC001237811918 1043373707 /nfs/dbraw/zinc/37/37/07/1043373707.db2.gz CZFWXRBIHKQOKU-PSOPSSQASA-N 1 2 367.808 2.708 20 10 FFCDLO Cc1cc(F)cc(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC001238059366 1043506900 /nfs/dbraw/zinc/50/69/00/1043506900.db2.gz CHCLPYXSLBJLHQ-OAHLLOKOSA-N 1 2 354.422 2.565 20 10 FFCDLO Cc1cc(F)cc(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC001238059366 1043506911 /nfs/dbraw/zinc/50/69/11/1043506911.db2.gz CHCLPYXSLBJLHQ-OAHLLOKOSA-N 1 2 354.422 2.565 20 10 FFCDLO Cc1cc(CN2CCC[C@]3(C2)C[N@H+](C)CCO3)c(O)cc1Br ZINC001279823649 1043712458 /nfs/dbraw/zinc/71/24/58/1043712458.db2.gz JZDQUQRNGUSJAE-QGZVFWFLSA-N 1 2 369.303 2.760 20 10 FFCDLO Cc1cc(CN2CCC[C@]3(C2)C[N@@H+](C)CCO3)c(O)cc1Br ZINC001279823649 1043712467 /nfs/dbraw/zinc/71/24/67/1043712467.db2.gz JZDQUQRNGUSJAE-QGZVFWFLSA-N 1 2 369.303 2.760 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC001319397625 1045136953 /nfs/dbraw/zinc/13/69/53/1045136953.db2.gz SHYPJUJHDMXCJH-HDICACEKSA-N 1 2 359.514 2.997 20 10 FFCDLO CC(=O)NCC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001332690185 1048507144 /nfs/dbraw/zinc/50/71/44/1048507144.db2.gz IXUVIWIICZQLIY-UHFFFAOYSA-N 1 2 359.239 2.642 20 10 FFCDLO Cc1n[nH]c(=O)c(C[NH2+]Cc2cc(Br)cc(F)c2O)c1C ZINC001333587912 1048991800 /nfs/dbraw/zinc/99/18/00/1048991800.db2.gz LQDOHKMLPFZRSE-UHFFFAOYSA-N 1 2 356.195 2.696 20 10 FFCDLO CC[C@@H](C(=O)NCCCSc1nccs1)[N@@H+]1CCO[C@H](CC)C1 ZINC001542956217 1071346666 /nfs/dbraw/zinc/34/66/66/1071346666.db2.gz NWFQUXXPZJMCNM-KGLIPLIRSA-N 1 2 357.545 2.631 20 10 FFCDLO CC[C@@H](C(=O)NCCCSc1nccs1)[N@H+]1CCO[C@H](CC)C1 ZINC001542956217 1071346675 /nfs/dbraw/zinc/34/66/75/1071346675.db2.gz NWFQUXXPZJMCNM-KGLIPLIRSA-N 1 2 357.545 2.631 20 10 FFCDLO COC(=O)[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H]1CCC[C@H](OC)C1 ZINC001338272982 1055378075 /nfs/dbraw/zinc/37/80/75/1055378075.db2.gz DCTYMAZHPMUMNR-UKPHBRMFSA-N 1 2 351.443 2.546 20 10 FFCDLO COCCO[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001462142725 1061517005 /nfs/dbraw/zinc/51/70/05/1061517005.db2.gz DHTKQZTWICYXPI-ZDUSSCGKSA-N 1 2 362.239 2.921 20 10 FFCDLO COCCO[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001462142725 1061517018 /nfs/dbraw/zinc/51/70/18/1061517018.db2.gz DHTKQZTWICYXPI-ZDUSSCGKSA-N 1 2 362.239 2.921 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001469103453 1064092065 /nfs/dbraw/zinc/09/20/65/1064092065.db2.gz HSBDZADDZGYLPT-YWZLYKJASA-N 1 2 369.513 2.912 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001469103453 1064092073 /nfs/dbraw/zinc/09/20/73/1064092073.db2.gz HSBDZADDZGYLPT-YWZLYKJASA-N 1 2 369.513 2.912 20 10 FFCDLO OC[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001474437959 1065522478 /nfs/dbraw/zinc/52/24/78/1065522478.db2.gz AJXQSONYJRNEBE-CYBMUJFWSA-N 1 2 370.218 2.693 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000049636410 507626564 /nfs/dbraw/zinc/62/65/64/507626564.db2.gz NHHGCTLNGSNBQJ-HNNXBMFYSA-N 1 2 364.449 2.815 20 10 FFCDLO CN(C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1)S(C)(=O)=O ZINC000092530190 508079466 /nfs/dbraw/zinc/07/94/66/508079466.db2.gz IJXVTGYCBRAKTB-UHFFFAOYSA-N 1 2 367.298 2.555 20 10 FFCDLO COC(=O)CN(Cc1[nH+]ccn1C(C)C)Cc1cc(Cl)ccc1O ZINC000111238373 508080945 /nfs/dbraw/zinc/08/09/45/508080945.db2.gz SLUYRBHVDRIQRS-UHFFFAOYSA-N 1 2 351.834 2.998 20 10 FFCDLO O=C(C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1)N1CCOCC1 ZINC000162670451 509277448 /nfs/dbraw/zinc/27/74/48/509277448.db2.gz YLSSXPKXMSBBCE-UHFFFAOYSA-N 1 2 373.280 2.770 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)Cn3cc[nH+]c3)ccc21 ZINC000264058581 509308914 /nfs/dbraw/zinc/30/89/14/509308914.db2.gz CFJFYAILPXDTIG-CQSZACIVSA-N 1 2 354.454 2.920 20 10 FFCDLO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2[nH+]ccn2C)cc1 ZINC000264077343 509319496 /nfs/dbraw/zinc/31/94/96/509319496.db2.gz CKXXCPWZTCQYSD-UHFFFAOYSA-N 1 2 367.453 2.991 20 10 FFCDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000268247504 509835200 /nfs/dbraw/zinc/83/52/00/509835200.db2.gz OAXPJOYUYNRECO-UHFFFAOYSA-N 1 2 371.510 2.518 20 10 FFCDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000268247504 509835206 /nfs/dbraw/zinc/83/52/06/509835206.db2.gz OAXPJOYUYNRECO-UHFFFAOYSA-N 1 2 371.510 2.518 20 10 FFCDLO COc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1O ZINC000174335010 510065841 /nfs/dbraw/zinc/06/58/41/510065841.db2.gz JJZUXDABYJEYOI-UHFFFAOYSA-N 1 2 370.384 2.725 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265944202 510315875 /nfs/dbraw/zinc/31/58/75/510315875.db2.gz LYUBOVPASTXAJF-QGZVFWFLSA-N 1 2 351.454 2.875 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNc3nnc(C(F)F)s3)CC2)cc1 ZINC000269365083 510362839 /nfs/dbraw/zinc/36/28/39/510362839.db2.gz NTOMYMWYKKCDIZ-UHFFFAOYSA-N 1 2 369.441 2.718 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199637 510544988 /nfs/dbraw/zinc/54/49/88/510544988.db2.gz RWYDSPBCUUIELY-XJKSGUPXSA-N 1 2 362.420 2.740 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199637 510544993 /nfs/dbraw/zinc/54/49/93/510544993.db2.gz RWYDSPBCUUIELY-XJKSGUPXSA-N 1 2 362.420 2.740 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1F ZINC000297258809 510876473 /nfs/dbraw/zinc/87/64/73/510876473.db2.gz OZGNBUQLBXQHRN-MRXNPFEDSA-N 1 2 359.449 2.918 20 10 FFCDLO COc1c(O)c(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000278221038 510985351 /nfs/dbraw/zinc/98/53/51/510985351.db2.gz LJPPUJGBIYVKEW-UHFFFAOYSA-N 1 2 373.409 2.996 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000278221038 510985357 /nfs/dbraw/zinc/98/53/57/510985357.db2.gz LJPPUJGBIYVKEW-UHFFFAOYSA-N 1 2 373.409 2.996 20 10 FFCDLO COc1c(O)c(C[N@H+](C)Cc2c(C)nc3sccn23)ccc1[N+](=O)[O-] ZINC000278238613 510986570 /nfs/dbraw/zinc/98/65/70/510986570.db2.gz NOFVZDXZDHNATO-UHFFFAOYSA-N 1 2 362.411 2.959 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)Cc2c(C)nc3sccn23)ccc1[N+](=O)[O-] ZINC000278238613 510986573 /nfs/dbraw/zinc/98/65/73/510986573.db2.gz NOFVZDXZDHNATO-UHFFFAOYSA-N 1 2 362.411 2.959 20 10 FFCDLO O=S(=O)(CC[NH2+]Cc1cccc(Cl)c1O)CCc1ccccc1 ZINC000282691238 511075170 /nfs/dbraw/zinc/07/51/70/511075170.db2.gz IZHSVRMCJFXNGV-UHFFFAOYSA-N 1 2 353.871 2.793 20 10 FFCDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000290021011 511125945 /nfs/dbraw/zinc/12/59/45/511125945.db2.gz CIDNCVRUGQZNRD-LBPRGKRZSA-N 1 2 350.463 2.927 20 10 FFCDLO C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000365240032 511335757 /nfs/dbraw/zinc/33/57/57/511335757.db2.gz GUOXRHZAWCXHGH-CJNGLKHVSA-N 1 2 355.885 2.643 20 10 FFCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2cc[nH+]c2)cc1 ZINC000299686220 511667198 /nfs/dbraw/zinc/66/71/98/511667198.db2.gz UFSOYDDNXCQCLR-IBGZPJMESA-N 1 2 356.470 2.547 20 10 FFCDLO OCc1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3O)C2)nn1 ZINC000293734583 512066805 /nfs/dbraw/zinc/06/68/05/512066805.db2.gz VDQCTRGGYYURRC-CYBMUJFWSA-N 1 2 357.241 2.620 20 10 FFCDLO OCc1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3O)C2)nn1 ZINC000293734583 512066810 /nfs/dbraw/zinc/06/68/10/512066810.db2.gz VDQCTRGGYYURRC-CYBMUJFWSA-N 1 2 357.241 2.620 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000374012752 512620659 /nfs/dbraw/zinc/62/06/59/512620659.db2.gz FZORDWLJABVZGE-JMERFSKESA-N 1 2 351.418 2.892 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000627374316 522811120 /nfs/dbraw/zinc/81/11/20/522811120.db2.gz QIUYQKDOJFWNMP-UHFFFAOYSA-N 1 2 364.449 2.837 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000627374316 522811126 /nfs/dbraw/zinc/81/11/26/522811126.db2.gz QIUYQKDOJFWNMP-UHFFFAOYSA-N 1 2 364.449 2.837 20 10 FFCDLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866394 728426559 /nfs/dbraw/zinc/42/65/59/728426559.db2.gz DBFCMIDQKSMUFB-HUUCEWRRSA-N 1 2 351.466 2.650 20 10 FFCDLO C[NH+](C)Cc1csc(CNC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000924785159 738449406 /nfs/dbraw/zinc/44/94/06/738449406.db2.gz MXPUDJJQZFVVJD-UHFFFAOYSA-N 1 2 354.863 2.563 20 10 FFCDLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000856594081 730346513 /nfs/dbraw/zinc/34/65/13/730346513.db2.gz DOXKYFFUUQJMCM-KRWDZBQOSA-N 1 2 369.824 2.700 20 10 FFCDLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000856594081 730346514 /nfs/dbraw/zinc/34/65/14/730346514.db2.gz DOXKYFFUUQJMCM-KRWDZBQOSA-N 1 2 369.824 2.700 20 10 FFCDLO CC(C)C[N@@H+]1CCO[C@@H](CNCc2c(O)cccc2Br)C1 ZINC000858088139 730416192 /nfs/dbraw/zinc/41/61/92/730416192.db2.gz ROKADSNVEZGKET-ZDUSSCGKSA-N 1 2 357.292 2.601 20 10 FFCDLO CC(C)C[N@H+]1CCO[C@@H](CNCc2c(O)cccc2Br)C1 ZINC000858088139 730416193 /nfs/dbraw/zinc/41/61/93/730416193.db2.gz ROKADSNVEZGKET-ZDUSSCGKSA-N 1 2 357.292 2.601 20 10 FFCDLO C[C@@H]1CN=C(N2CC[NH+](Cc3c(O)cccc3Br)CC2)S1 ZINC000862248371 730681666 /nfs/dbraw/zinc/68/16/66/730681666.db2.gz LBZFXMOUORJVLW-LLVKDONJSA-N 1 2 370.316 2.764 20 10 FFCDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(Cl)c1O ZINC000862542835 730708183 /nfs/dbraw/zinc/70/81/83/730708183.db2.gz BJFQCIDNRJVNSY-UHFFFAOYSA-N 1 2 362.813 2.887 20 10 FFCDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(Cl)c1O ZINC000862542835 730708186 /nfs/dbraw/zinc/70/81/86/730708186.db2.gz BJFQCIDNRJVNSY-UHFFFAOYSA-N 1 2 362.813 2.887 20 10 FFCDLO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1cc(Br)c(F)cc1O ZINC000927156497 738698147 /nfs/dbraw/zinc/69/81/47/738698147.db2.gz POQMWIMRJDMJEZ-LNHVQRHZSA-N 1 2 374.250 2.874 20 10 FFCDLO COC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)[C@@H]1CCCOC1 ZINC000886355508 733776554 /nfs/dbraw/zinc/77/65/54/733776554.db2.gz JPGZILVVPULBJV-QMTHXVAHSA-N 1 2 362.239 2.825 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000895053646 734958106 /nfs/dbraw/zinc/95/81/06/734958106.db2.gz QJHBLZPJXONDNP-LBPRGKRZSA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000895053646 734958107 /nfs/dbraw/zinc/95/81/07/734958107.db2.gz QJHBLZPJXONDNP-LBPRGKRZSA-N 1 2 355.211 2.722 20 10 FFCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C1(CO)CCOCC1 ZINC000895358381 734995340 /nfs/dbraw/zinc/99/53/40/734995340.db2.gz VSQXPNDSBNNBEH-UHFFFAOYSA-N 1 2 364.667 2.781 20 10 FFCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C1(CO)CCOCC1 ZINC000895358381 734995343 /nfs/dbraw/zinc/99/53/43/734995343.db2.gz VSQXPNDSBNNBEH-UHFFFAOYSA-N 1 2 364.667 2.781 20 10 FFCDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000895438582 735006339 /nfs/dbraw/zinc/00/63/39/735006339.db2.gz ZSTQPTZINPSLAU-CYBMUJFWSA-N 1 2 359.239 2.784 20 10 FFCDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000895438582 735006341 /nfs/dbraw/zinc/00/63/41/735006341.db2.gz ZSTQPTZINPSLAU-CYBMUJFWSA-N 1 2 359.239 2.784 20 10 FFCDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000738108099 735021795 /nfs/dbraw/zinc/02/17/95/735021795.db2.gz COMMXDKUUGJIJA-LBPRGKRZSA-N 1 2 350.415 2.562 20 10 FFCDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000738108099 735021798 /nfs/dbraw/zinc/02/17/98/735021798.db2.gz COMMXDKUUGJIJA-LBPRGKRZSA-N 1 2 350.415 2.562 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000750045228 735768037 /nfs/dbraw/zinc/76/80/37/735768037.db2.gz NHNLVIDIJJUTBO-OAHLLOKOSA-N 1 2 350.846 2.835 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000750045228 735768041 /nfs/dbraw/zinc/76/80/41/735768041.db2.gz NHNLVIDIJJUTBO-OAHLLOKOSA-N 1 2 350.846 2.835 20 10 FFCDLO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756733432 736356718 /nfs/dbraw/zinc/35/67/18/736356718.db2.gz PNLMLDMZKBNOBO-NXEZZACHSA-N 1 2 350.228 2.996 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000756739159 736357007 /nfs/dbraw/zinc/35/70/07/736357007.db2.gz UAEWKUPQWOOYGC-LKFCYVNXSA-N 1 2 362.239 2.732 20 10 FFCDLO C[N@H+](CC(=O)NCc1ccccc1)Cc1cccc(Br)c1O ZINC000769465850 737532265 /nfs/dbraw/zinc/53/22/65/737532265.db2.gz DVMJJNPOCFCXHV-UHFFFAOYSA-N 1 2 363.255 2.903 20 10 FFCDLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1cccc(Br)c1O ZINC000769465850 737532268 /nfs/dbraw/zinc/53/22/68/737532268.db2.gz DVMJJNPOCFCXHV-UHFFFAOYSA-N 1 2 363.255 2.903 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC1(O)CCC1 ZINC000776174749 738168068 /nfs/dbraw/zinc/16/80/68/738168068.db2.gz FWYHFIYDYUVPCK-UHFFFAOYSA-N 1 2 365.065 2.922 20 10 FFCDLO C[N@@H+]1CCN(Cc2cccc(Cl)c2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604099 739798332 /nfs/dbraw/zinc/79/83/32/739798332.db2.gz OBZONUADQRYQJL-CQSZACIVSA-N 1 2 369.893 2.686 20 10 FFCDLO C[N@H+]1CCN(Cc2cccc(Cl)c2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604099 739798336 /nfs/dbraw/zinc/79/83/36/739798336.db2.gz OBZONUADQRYQJL-CQSZACIVSA-N 1 2 369.893 2.686 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000801733999 740646517 /nfs/dbraw/zinc/64/65/17/740646517.db2.gz PRKOASUHCYUBQA-BBRMVZONSA-N 1 2 370.287 2.812 20 10 FFCDLO COCC[C@@H](COC)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000810256629 741402314 /nfs/dbraw/zinc/40/23/14/741402314.db2.gz CMPMFVPDTZEJLO-KOLCDFICSA-N 1 2 350.228 2.996 20 10 FFCDLO O=S(=O)(NC1CCCC1)C1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000816566968 742042765 /nfs/dbraw/zinc/04/27/65/742042765.db2.gz MPIFKHNEKMAARA-UHFFFAOYSA-N 1 2 360.479 2.592 20 10 FFCDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000826036402 743359323 /nfs/dbraw/zinc/35/93/23/743359323.db2.gz ICORUZWTOCSLFD-XMMPIXPASA-N 1 2 373.902 2.630 20 10 FFCDLO C[C@H](O)C1([NH2+]Cc2cc(Br)cc(Br)c2O)CC1 ZINC000827585918 743606520 /nfs/dbraw/zinc/60/65/20/743606520.db2.gz RGLLONDQLSLMMJ-ZETCQYMHSA-N 1 2 365.065 2.920 20 10 FFCDLO Cn1cc(-c2cc3c(nn2)CC[N@H+](Cc2cccc(Cl)c2O)C3)cn1 ZINC000828103861 745028120 /nfs/dbraw/zinc/02/81/20/745028120.db2.gz CDRSNMYZWZXQNB-UHFFFAOYSA-N 1 2 355.829 2.794 20 10 FFCDLO Cn1cc(-c2cc3c(nn2)CC[N@@H+](Cc2cccc(Cl)c2O)C3)cn1 ZINC000828103861 745028124 /nfs/dbraw/zinc/02/81/24/745028124.db2.gz CDRSNMYZWZXQNB-UHFFFAOYSA-N 1 2 355.829 2.794 20 10 FFCDLO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)c(F)cc1O ZINC000834892309 745921141 /nfs/dbraw/zinc/92/11/41/745921141.db2.gz QZJBNHKMLFNGRB-UTUOFQBUSA-N 1 2 373.266 2.808 20 10 FFCDLO C[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccc(Br)cc1O ZINC000848561047 748960473 /nfs/dbraw/zinc/96/04/73/748960473.db2.gz ONQXGEHAKOCXHM-VIFPVBQESA-N 1 2 354.252 2.747 20 10 FFCDLO C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245258 962558632 /nfs/dbraw/zinc/55/86/32/962558632.db2.gz BHEJIGJNKPZDBW-XMCHAPAWSA-N 1 2 369.513 2.561 20 10 FFCDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000160968961 964005956 /nfs/dbraw/zinc/00/59/56/964005956.db2.gz UMIUQNWUQANAQG-HXUWFJFHSA-N 1 2 357.498 2.500 20 10 FFCDLO COc1c(O)c(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000877762728 1014717131 /nfs/dbraw/zinc/71/71/31/1014717131.db2.gz OTHUOLYVTYYVQP-HNNXBMFYSA-N 1 2 370.409 2.689 20 10 FFCDLO COc1c(O)c(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000877762728 1014717153 /nfs/dbraw/zinc/71/71/53/1014717153.db2.gz OTHUOLYVTYYVQP-HNNXBMFYSA-N 1 2 370.409 2.689 20 10 FFCDLO CN(C)c1ccc(CN(c2cc(N3CCOCC3)[nH+]cn2)C2CC2)cc1 ZINC000764786058 984722951 /nfs/dbraw/zinc/72/29/51/984722951.db2.gz YRAIOGPWIJKGLX-UHFFFAOYSA-N 1 2 353.470 2.548 20 10 FFCDLO CN(C)c1ccc(CN(c2cc(N3CCOCC3)nc[nH+]2)C2CC2)cc1 ZINC000764786058 984722958 /nfs/dbraw/zinc/72/29/58/984722958.db2.gz YRAIOGPWIJKGLX-UHFFFAOYSA-N 1 2 353.470 2.548 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)ccc21 ZINC000672149185 987204719 /nfs/dbraw/zinc/20/47/19/987204719.db2.gz IKKRAVHNESEPPE-KRWDZBQOSA-N 1 2 366.465 2.846 20 10 FFCDLO C[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000073984869 989328094 /nfs/dbraw/zinc/32/80/94/989328094.db2.gz HQKRTJUXRMAAKS-UHFFFAOYSA-N 1 2 354.410 2.798 20 10 FFCDLO C[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000073984869 989328108 /nfs/dbraw/zinc/32/81/08/989328108.db2.gz HQKRTJUXRMAAKS-UHFFFAOYSA-N 1 2 354.410 2.798 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)cc(OC)c1OC ZINC000184753412 992972709 /nfs/dbraw/zinc/97/27/09/992972709.db2.gz KLQFAAWVXNTBJP-UHFFFAOYSA-N 1 2 373.478 2.968 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cn(-c3ccccc3)nn2)cc1 ZINC000844399052 997857518 /nfs/dbraw/zinc/85/75/18/997857518.db2.gz FDSQMAWQWHVAEA-UHFFFAOYSA-N 1 2 351.454 2.844 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(-c3ccccc3)nn2)cc1 ZINC000844399052 997857528 /nfs/dbraw/zinc/85/75/28/997857528.db2.gz FDSQMAWQWHVAEA-UHFFFAOYSA-N 1 2 351.454 2.844 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)CN2Cc3ccc(F)cc3C2=O)cc1 ZINC000844725224 998096457 /nfs/dbraw/zinc/09/64/57/998096457.db2.gz IPDIPRCLNBOILB-UHFFFAOYSA-N 1 2 357.429 2.816 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)CN2Cc3ccc(F)cc3C2=O)cc1 ZINC000844725224 998096468 /nfs/dbraw/zinc/09/64/68/998096468.db2.gz IPDIPRCLNBOILB-UHFFFAOYSA-N 1 2 357.429 2.816 20 10 FFCDLO COc1ccc(O)c(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000734065146 999188490 /nfs/dbraw/zinc/18/84/90/999188490.db2.gz WNLSPMSTSKKCBR-UHFFFAOYSA-N 1 2 366.421 2.645 20 10 FFCDLO CCCCNc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)nc(N)[nH+]1 ZINC000804334009 1000065778 /nfs/dbraw/zinc/06/57/78/1000065778.db2.gz VUZRRDKOJYRUBN-UHFFFAOYSA-N 1 2 370.501 2.744 20 10 FFCDLO CCCCNc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH+]c(N)n1 ZINC000804334009 1000065780 /nfs/dbraw/zinc/06/57/80/1000065780.db2.gz VUZRRDKOJYRUBN-UHFFFAOYSA-N 1 2 370.501 2.744 20 10 FFCDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768347180 1000233064 /nfs/dbraw/zinc/23/30/64/1000233064.db2.gz SUKWGPIOKLFWPC-QGZVFWFLSA-N 1 2 360.458 2.686 20 10 FFCDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768347180 1000233068 /nfs/dbraw/zinc/23/30/68/1000233068.db2.gz SUKWGPIOKLFWPC-QGZVFWFLSA-N 1 2 360.458 2.686 20 10 FFCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000770352514 1000765470 /nfs/dbraw/zinc/76/54/70/1000765470.db2.gz OAMIMFBKZVWPTH-SUMWQHHRSA-N 1 2 366.458 2.515 20 10 FFCDLO COc1cccc(O)c1C[N@H+]1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000770352514 1000765475 /nfs/dbraw/zinc/76/54/75/1000765475.db2.gz OAMIMFBKZVWPTH-SUMWQHHRSA-N 1 2 366.458 2.515 20 10 FFCDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000787440998 1001691461 /nfs/dbraw/zinc/69/14/61/1001691461.db2.gz RAEIPCQGWZPPME-SFHVURJKSA-N 1 2 364.461 2.968 20 10 FFCDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000787440998 1001691464 /nfs/dbraw/zinc/69/14/64/1001691464.db2.gz RAEIPCQGWZPPME-SFHVURJKSA-N 1 2 364.461 2.968 20 10 FFCDLO COc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(O)c1 ZINC000792810226 1003190352 /nfs/dbraw/zinc/19/03/52/1003190352.db2.gz FJVXBZNDPDRQAP-UHFFFAOYSA-N 1 2 370.453 2.786 20 10 FFCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000104344942 1004555419 /nfs/dbraw/zinc/55/54/19/1004555419.db2.gz YJRKNNKOFRJTDT-FQEVSTJZSA-N 1 2 370.497 2.937 20 10 FFCDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2ncnn21 ZINC000850352154 1005810212 /nfs/dbraw/zinc/81/02/12/1005810212.db2.gz NJRLRWNYJIVNGA-HIFRSBDPSA-N 1 2 356.430 2.972 20 10 FFCDLO Fc1cc(CNc2ccc(N3CCOCC3)c[nH+]2)ccc1N1CCOCC1 ZINC000131421279 1006736222 /nfs/dbraw/zinc/73/62/22/1006736222.db2.gz QPDGUQVYIGFHKX-UHFFFAOYSA-N 1 2 372.444 2.506 20 10 FFCDLO Cn1cnc(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001206256837 1032203842 /nfs/dbraw/zinc/20/38/42/1032203842.db2.gz DRRSOJDIOYIGCP-UHFFFAOYSA-N 1 2 363.465 2.716 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)Nc3ccc4[nH+]ccn4c3)C2)cc1 ZINC000821202946 1008429700 /nfs/dbraw/zinc/42/97/00/1008429700.db2.gz XWRFVCYZBYIMSN-HNNXBMFYSA-N 1 2 351.410 2.743 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1ccccc1O ZINC000822511971 1008662718 /nfs/dbraw/zinc/66/27/18/1008662718.db2.gz PUYGHOLKLJCHHV-UHFFFAOYSA-N 1 2 366.421 2.538 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccc(-n2cncn2)cc1)Cc1ccccc1O ZINC000822511971 1008662728 /nfs/dbraw/zinc/66/27/28/1008662728.db2.gz PUYGHOLKLJCHHV-UHFFFAOYSA-N 1 2 366.421 2.538 20 10 FFCDLO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[N@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000886615528 1008774688 /nfs/dbraw/zinc/77/46/88/1008774688.db2.gz IEKMFJQOMDXBCR-JIPZTSHUSA-N 1 2 372.513 2.889 20 10 FFCDLO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[N@@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000886615528 1008774695 /nfs/dbraw/zinc/77/46/95/1008774695.db2.gz IEKMFJQOMDXBCR-JIPZTSHUSA-N 1 2 372.513 2.889 20 10 FFCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000773848970 1009630710 /nfs/dbraw/zinc/63/07/10/1009630710.db2.gz QUUMZHMZCOGZJS-SFHVURJKSA-N 1 2 363.502 2.868 20 10 FFCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000773848970 1009630717 /nfs/dbraw/zinc/63/07/17/1009630717.db2.gz QUUMZHMZCOGZJS-SFHVURJKSA-N 1 2 363.502 2.868 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000861946947 1009638645 /nfs/dbraw/zinc/63/86/45/1009638645.db2.gz NGMJCBHPATYTQR-UHFFFAOYSA-N 1 2 350.422 2.613 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000869100347 1011610473 /nfs/dbraw/zinc/61/04/73/1011610473.db2.gz BUNLOJIRUQKZIT-GOSISDBHSA-N 1 2 362.433 2.848 20 10 FFCDLO Cc1cccnc1-c1noc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC001217056680 1032599540 /nfs/dbraw/zinc/59/95/40/1032599540.db2.gz PMKRGASGTHUWNC-UHFFFAOYSA-N 1 2 352.394 2.645 20 10 FFCDLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000097177718 1012622244 /nfs/dbraw/zinc/62/22/44/1012622244.db2.gz NNRSVPNKXXNUJI-UHFFFAOYSA-N 1 2 369.509 2.968 20 10 FFCDLO CCCCN1C(=O)COCC12C[NH+](Cc1ccc(N(CC)CC)cc1)C2 ZINC001275598677 1012676403 /nfs/dbraw/zinc/67/64/03/1012676403.db2.gz SHKVBFZRORIMLZ-UHFFFAOYSA-N 1 2 359.514 2.746 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000795155554 1012690490 /nfs/dbraw/zinc/69/04/90/1012690490.db2.gz GCSUNWCRZCUKFW-AWEZNQCLSA-N 1 2 357.506 2.559 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000795155554 1012690497 /nfs/dbraw/zinc/69/04/97/1012690497.db2.gz GCSUNWCRZCUKFW-AWEZNQCLSA-N 1 2 357.506 2.559 20 10 FFCDLO CCCn1cc([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)nn1 ZINC000903017455 1020628795 /nfs/dbraw/zinc/62/87/95/1020628795.db2.gz TWSKZEMFPLCPAZ-CYBMUJFWSA-N 1 2 365.428 2.654 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)CCCO)c(C)n1-c1cc(C)cc(C)c1 ZINC000749841526 1021051875 /nfs/dbraw/zinc/05/18/75/1021051875.db2.gz ZWKMODRNFXIVFE-UHFFFAOYSA-N 1 2 358.482 2.570 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)CCCO)c(C)n1-c1cc(C)cc(C)c1 ZINC000749841526 1021051881 /nfs/dbraw/zinc/05/18/81/1021051881.db2.gz ZWKMODRNFXIVFE-UHFFFAOYSA-N 1 2 358.482 2.570 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001137832944 1033166730 /nfs/dbraw/zinc/16/67/30/1033166730.db2.gz NBSITHXHWMMMDH-HXUWFJFHSA-N 1 2 357.429 2.798 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001137832944 1033166737 /nfs/dbraw/zinc/16/67/37/1033166737.db2.gz NBSITHXHWMMMDH-HXUWFJFHSA-N 1 2 357.429 2.798 20 10 FFCDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)cc1 ZINC001141145711 1025522405 /nfs/dbraw/zinc/52/24/05/1025522405.db2.gz YTMCWTTYRYCEFW-UHFFFAOYSA-N 1 2 365.477 2.782 20 10 FFCDLO C[NH+](C)C[C@@H]1COCCN1Cc1cc(Cl)cc(Br)c1O ZINC001141374167 1026070659 /nfs/dbraw/zinc/07/06/59/1026070659.db2.gz ABMGSBMGIZBKJV-GFCCVEGCSA-N 1 2 363.683 2.571 20 10 FFCDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000839145958 1026604065 /nfs/dbraw/zinc/60/40/65/1026604065.db2.gz XJMDUPCTMVSCND-UHFFFAOYSA-N 1 2 369.421 2.695 20 10 FFCDLO CCOc1ccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@@H]4C[C@]4(CO)C3)c2C)cc1 ZINC000782622391 1029765481 /nfs/dbraw/zinc/76/54/81/1029765481.db2.gz UNHXCYVJGOZJFG-HTAPYJJXSA-N 1 2 368.477 2.990 20 10 FFCDLO CCOc1ccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@@H]4C[C@]4(CO)C3)c2C)cc1 ZINC000782622391 1029765491 /nfs/dbraw/zinc/76/54/91/1029765491.db2.gz UNHXCYVJGOZJFG-HTAPYJJXSA-N 1 2 368.477 2.990 20 10 FFCDLO COc1ccc2c(c1)c1c(n2C)CCN(c2ccc(Cn3cncn3)c[nH+]2)C1 ZINC001166818103 1030532565 /nfs/dbraw/zinc/53/25/65/1030532565.db2.gz LWPWBADYXPNACZ-UHFFFAOYSA-N 1 2 374.448 2.784 20 10 FFCDLO CCOc1cccc(C[N@@H+]2CCn3cnc(COCC4CC4)c3C2)c1O ZINC001203608518 1030782927 /nfs/dbraw/zinc/78/29/27/1030782927.db2.gz SCKYALPFUUIYNL-UHFFFAOYSA-N 1 2 357.454 2.930 20 10 FFCDLO CCOc1cccc(C[N@H+]2CCn3cnc(COCC4CC4)c3C2)c1O ZINC001203608518 1030782942 /nfs/dbraw/zinc/78/29/42/1030782942.db2.gz SCKYALPFUUIYNL-UHFFFAOYSA-N 1 2 357.454 2.930 20 10 FFCDLO CCOc1cccc(CN2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1O ZINC001203609733 1030785295 /nfs/dbraw/zinc/78/52/95/1030785295.db2.gz ITSAABQUNFLFFP-UHFFFAOYSA-N 1 2 373.501 2.629 20 10 FFCDLO CCOc1cccc(CN2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1O ZINC001203609733 1030785308 /nfs/dbraw/zinc/78/53/08/1030785308.db2.gz ITSAABQUNFLFFP-UHFFFAOYSA-N 1 2 373.501 2.629 20 10 FFCDLO Oc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1O ZINC001203879650 1030956703 /nfs/dbraw/zinc/95/67/03/1030956703.db2.gz WMAUWJISJXUSTD-UHFFFAOYSA-N 1 2 353.344 2.834 20 10 FFCDLO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001276944684 1033710307 /nfs/dbraw/zinc/71/03/07/1033710307.db2.gz VZTXHQUBTKRDBR-LBPRGKRZSA-N 1 2 371.250 2.642 20 10 FFCDLO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@H+](Cc1cccc(F)c1O)CCO2 ZINC001138126909 1033808993 /nfs/dbraw/zinc/80/89/93/1033808993.db2.gz MKXRFVFSQLGMAI-HXUWFJFHSA-N 1 2 374.412 2.632 20 10 FFCDLO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@@H+](Cc1cccc(F)c1O)CCO2 ZINC001138126909 1033809004 /nfs/dbraw/zinc/80/90/04/1033809004.db2.gz MKXRFVFSQLGMAI-HXUWFJFHSA-N 1 2 374.412 2.632 20 10 FFCDLO O=C1[C@@H]2CCC[N@@H+](Cc3cccc(F)c3O)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001138128361 1033814250 /nfs/dbraw/zinc/81/42/50/1033814250.db2.gz FRJAIAJAEHRSGD-AEFFLSMTSA-N 1 2 368.408 2.681 20 10 FFCDLO O=C1[C@@H]2CCC[N@H+](Cc3cccc(F)c3O)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001138128361 1033814265 /nfs/dbraw/zinc/81/42/65/1033814265.db2.gz FRJAIAJAEHRSGD-AEFFLSMTSA-N 1 2 368.408 2.681 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001277098533 1034524225 /nfs/dbraw/zinc/52/42/25/1034524225.db2.gz SBFGFYMNYALYLC-HXPMCKFVSA-N 1 2 366.408 2.605 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(F)c1F ZINC001277098533 1034524237 /nfs/dbraw/zinc/52/42/37/1034524237.db2.gz SBFGFYMNYALYLC-HXPMCKFVSA-N 1 2 366.408 2.605 20 10 FFCDLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139125037 1034954676 /nfs/dbraw/zinc/95/46/76/1034954676.db2.gz JKXNJMRUVMQBRZ-CQSZACIVSA-N 1 2 359.422 2.972 20 10 FFCDLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139125037 1034954685 /nfs/dbraw/zinc/95/46/85/1034954685.db2.gz JKXNJMRUVMQBRZ-CQSZACIVSA-N 1 2 359.422 2.972 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001139126277 1034956127 /nfs/dbraw/zinc/95/61/27/1034956127.db2.gz DGHNCYXZOKBAGQ-INIZCTEOSA-N 1 2 357.328 2.554 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001139126277 1034956130 /nfs/dbraw/zinc/95/61/30/1034956130.db2.gz DGHNCYXZOKBAGQ-INIZCTEOSA-N 1 2 357.328 2.554 20 10 FFCDLO CCOC(=O)NC1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139133866 1034963118 /nfs/dbraw/zinc/96/31/18/1034963118.db2.gz VEUSXOBGEASMLB-UHFFFAOYSA-N 1 2 360.410 2.518 20 10 FFCDLO Oc1cccc(Br)c1C[NH+]1CCN(c2nccs2)CC1 ZINC001140098842 1035341108 /nfs/dbraw/zinc/34/11/08/1035341108.db2.gz OYJIVYJSYBHEBK-UHFFFAOYSA-N 1 2 354.273 2.933 20 10 FFCDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1ccc(Cl)cc1O)C2 ZINC001140464932 1035485418 /nfs/dbraw/zinc/48/54/18/1035485418.db2.gz FJEWLSXPDNNFDH-UHFFFAOYSA-N 1 2 363.893 2.883 20 10 FFCDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1ccc(Cl)cc1O)C2 ZINC001140464932 1035485421 /nfs/dbraw/zinc/48/54/21/1035485421.db2.gz FJEWLSXPDNNFDH-UHFFFAOYSA-N 1 2 363.893 2.883 20 10 FFCDLO Cc1cc(C(=O)N2CC[N@H+](C/C=C/c3ccc(N(C)C)cc3)[C@H](C)C2)[nH]n1 ZINC000835075116 1035514310 /nfs/dbraw/zinc/51/43/10/1035514310.db2.gz YWYPPEXXCIRUIR-FUTAKVPZSA-N 1 2 367.497 2.644 20 10 FFCDLO Cc1cc(C(=O)N2CC[N@@H+](C/C=C/c3ccc(N(C)C)cc3)[C@H](C)C2)[nH]n1 ZINC000835075116 1035514315 /nfs/dbraw/zinc/51/43/15/1035514315.db2.gz YWYPPEXXCIRUIR-FUTAKVPZSA-N 1 2 367.497 2.644 20 10 FFCDLO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259589 1035530523 /nfs/dbraw/zinc/53/05/23/1035530523.db2.gz FTHNXMAPQJUCRR-LBPRGKRZSA-N 1 2 351.834 2.616 20 10 FFCDLO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259589 1035530530 /nfs/dbraw/zinc/53/05/30/1035530530.db2.gz FTHNXMAPQJUCRR-LBPRGKRZSA-N 1 2 351.834 2.616 20 10 FFCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1Cl ZINC001232260266 1035531241 /nfs/dbraw/zinc/53/12/41/1035531241.db2.gz UBYPVDIEJLVKIH-BMGDILEWSA-N 1 2 353.846 2.910 20 10 FFCDLO Oc1cc(O)c(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1Cl ZINC001232260266 1035531250 /nfs/dbraw/zinc/53/12/50/1035531250.db2.gz UBYPVDIEJLVKIH-BMGDILEWSA-N 1 2 353.846 2.910 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001140580497 1035658846 /nfs/dbraw/zinc/65/88/46/1035658846.db2.gz FLWUDRVDMHJHPQ-LIRRHRJNSA-N 1 2 362.376 2.878 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001140580497 1035658851 /nfs/dbraw/zinc/65/88/51/1035658851.db2.gz FLWUDRVDMHJHPQ-LIRRHRJNSA-N 1 2 362.376 2.878 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001140580512 1035659234 /nfs/dbraw/zinc/65/92/34/1035659234.db2.gz FUIPBHWLUXDAOL-YJYMSZOUSA-N 1 2 362.376 2.593 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001140580512 1035659244 /nfs/dbraw/zinc/65/92/44/1035659244.db2.gz FUIPBHWLUXDAOL-YJYMSZOUSA-N 1 2 362.376 2.593 20 10 FFCDLO CC(C)CN1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277231326 1035667322 /nfs/dbraw/zinc/66/73/22/1035667322.db2.gz BDHKQVRAJLHNBD-SFHVURJKSA-N 1 2 352.862 2.505 20 10 FFCDLO COc1ccnc(O[C@H]2CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140585970 1035671324 /nfs/dbraw/zinc/67/13/24/1035671324.db2.gz XSNZSYIIGQXCMG-LBPRGKRZSA-N 1 2 351.353 2.512 20 10 FFCDLO COc1ccnc(O[C@H]2CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140585970 1035671331 /nfs/dbraw/zinc/67/13/31/1035671331.db2.gz XSNZSYIIGQXCMG-LBPRGKRZSA-N 1 2 351.353 2.512 20 10 FFCDLO O=C1C[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C(=O)N1CC(F)F ZINC001277231688 1035671550 /nfs/dbraw/zinc/67/15/50/1035671550.db2.gz FFYXJVGNIQZOPO-QGZVFWFLSA-N 1 2 372.799 2.652 20 10 FFCDLO O=C1C[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C(=O)N1CC(F)F ZINC001277231688 1035671555 /nfs/dbraw/zinc/67/15/55/1035671555.db2.gz FFYXJVGNIQZOPO-QGZVFWFLSA-N 1 2 372.799 2.652 20 10 FFCDLO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015236 1036252337 /nfs/dbraw/zinc/25/23/37/1036252337.db2.gz GAYFIWLYEACKQK-CYBMUJFWSA-N 1 2 372.396 2.563 20 10 FFCDLO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015236 1036252356 /nfs/dbraw/zinc/25/23/56/1036252356.db2.gz GAYFIWLYEACKQK-CYBMUJFWSA-N 1 2 372.396 2.563 20 10 FFCDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC001233015201 1036253985 /nfs/dbraw/zinc/25/39/85/1036253985.db2.gz ILWBFOFRIXSBTF-CVEARBPZSA-N 1 2 357.406 2.930 20 10 FFCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC001233015201 1036253999 /nfs/dbraw/zinc/25/39/99/1036253999.db2.gz ILWBFOFRIXSBTF-CVEARBPZSA-N 1 2 357.406 2.930 20 10 FFCDLO COc1cnc(OC2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)nc1 ZINC001233079623 1036324885 /nfs/dbraw/zinc/32/48/85/1036324885.db2.gz HPTARQQXMGYNQI-UHFFFAOYSA-N 1 2 351.353 2.512 20 10 FFCDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(Br)cc(C)c1O ZINC001233107680 1036356566 /nfs/dbraw/zinc/35/65/66/1036356566.db2.gz HGZUAHXZKDKYSM-YIONKMFJSA-N 1 2 356.260 2.841 20 10 FFCDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(Br)cc(C)c1O ZINC001233107680 1036356583 /nfs/dbraw/zinc/35/65/83/1036356583.db2.gz HGZUAHXZKDKYSM-YIONKMFJSA-N 1 2 356.260 2.841 20 10 FFCDLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233288418 1036494985 /nfs/dbraw/zinc/49/49/85/1036494985.db2.gz KJGGBIOZCFWMCF-LBPRGKRZSA-N 1 2 351.834 2.529 20 10 FFCDLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233288418 1036494989 /nfs/dbraw/zinc/49/49/89/1036494989.db2.gz KJGGBIOZCFWMCF-LBPRGKRZSA-N 1 2 351.834 2.529 20 10 FFCDLO Oc1ccc(F)c(F)c1CN1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001233333487 1036539040 /nfs/dbraw/zinc/53/90/40/1036539040.db2.gz XPIFFPFCTQJHFH-SCLBCKFNSA-N 1 2 364.392 2.596 20 10 FFCDLO Oc1ccc(F)c(F)c1CN1C[C@@H]2C[N@@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001233333487 1036539048 /nfs/dbraw/zinc/53/90/48/1036539048.db2.gz XPIFFPFCTQJHFH-SCLBCKFNSA-N 1 2 364.392 2.596 20 10 FFCDLO CC[C@H](C)N1CC2(C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)OCC1=O ZINC001277399139 1036749648 /nfs/dbraw/zinc/74/96/48/1036749648.db2.gz QLLMQXOXOCKCSZ-HNNXBMFYSA-N 1 2 360.498 2.901 20 10 FFCDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277506537 1037534728 /nfs/dbraw/zinc/53/47/28/1037534728.db2.gz IPGNGHSISOROOG-AMKSKSKJSA-N 1 2 368.836 2.728 20 10 FFCDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277506537 1037534742 /nfs/dbraw/zinc/53/47/42/1037534742.db2.gz IPGNGHSISOROOG-AMKSKSKJSA-N 1 2 368.836 2.728 20 10 FFCDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(Cl)c2O)C1=O ZINC001277508191 1037541590 /nfs/dbraw/zinc/54/15/90/1037541590.db2.gz VEKDGXDUIUGJLP-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)cc(Cl)c2O)C1=O ZINC001277508191 1037541598 /nfs/dbraw/zinc/54/15/98/1037541598.db2.gz VEKDGXDUIUGJLP-GOSISDBHSA-N 1 2 370.852 2.788 20 10 FFCDLO O=C1N(CC(F)F)CC[C@@]12CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277509654 1037550130 /nfs/dbraw/zinc/55/01/30/1037550130.db2.gz HAVZLQJFPLALLQ-MRXNPFEDSA-N 1 2 362.779 2.874 20 10 FFCDLO O=C1N(CC(F)F)CC[C@@]12CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001277509654 1037550147 /nfs/dbraw/zinc/55/01/47/1037550147.db2.gz HAVZLQJFPLALLQ-MRXNPFEDSA-N 1 2 362.779 2.874 20 10 FFCDLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c(O)cc1O ZINC001231637182 1037758734 /nfs/dbraw/zinc/75/87/34/1037758734.db2.gz IEJONEAKVAHSIH-QWHCGFSZSA-N 1 2 370.421 2.544 20 10 FFCDLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c(O)cc1O ZINC001231637182 1037758739 /nfs/dbraw/zinc/75/87/39/1037758739.db2.gz IEJONEAKVAHSIH-QWHCGFSZSA-N 1 2 370.421 2.544 20 10 FFCDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)nc1 ZINC001235865904 1037801957 /nfs/dbraw/zinc/80/19/57/1037801957.db2.gz BTWZPUCZYHTORW-UHFFFAOYSA-N 1 2 369.465 2.898 20 10 FFCDLO OCc1ccc2c(c1)CC[N@@H+](Cc1cc(O)c(Br)cc1O)C2 ZINC001236766524 1038253276 /nfs/dbraw/zinc/25/32/76/1038253276.db2.gz HSFWKJNSPTYZSR-UHFFFAOYSA-N 1 2 364.239 2.911 20 10 FFCDLO OCc1ccc2c(c1)CC[N@H+](Cc1cc(O)c(Br)cc1O)C2 ZINC001236766524 1038253288 /nfs/dbraw/zinc/25/32/88/1038253288.db2.gz HSFWKJNSPTYZSR-UHFFFAOYSA-N 1 2 364.239 2.911 20 10 FFCDLO COC(=O)C[C@H]1C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236789878 1038270965 /nfs/dbraw/zinc/27/09/65/1038270965.db2.gz RYSGEXQPKNJXJU-IBGZPJMESA-N 1 2 371.433 2.735 20 10 FFCDLO COC(=O)C[C@H]1C[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236789878 1038270976 /nfs/dbraw/zinc/27/09/76/1038270976.db2.gz RYSGEXQPKNJXJU-IBGZPJMESA-N 1 2 371.433 2.735 20 10 FFCDLO C[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(F)cc3F)c2)CC1 ZINC001256061648 1038350596 /nfs/dbraw/zinc/35/05/96/1038350596.db2.gz CTGYFTGUOHTPAO-UHFFFAOYSA-N 1 2 367.421 2.517 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN[C@@H](C(F)(F)F)C2)c1 ZINC001236997774 1038403203 /nfs/dbraw/zinc/40/32/03/1038403203.db2.gz VNTMDRCBXARGPH-LLVKDONJSA-N 1 2 353.182 2.799 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN[C@@H](C(F)(F)F)C2)c1 ZINC001236997774 1038403209 /nfs/dbraw/zinc/40/32/09/1038403209.db2.gz VNTMDRCBXARGPH-LLVKDONJSA-N 1 2 353.182 2.799 20 10 FFCDLO O=C1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCN1C1CCCC1 ZINC001237055937 1038424951 /nfs/dbraw/zinc/42/49/51/1038424951.db2.gz JHBYVXUCYWJGBK-UHFFFAOYSA-N 1 2 372.387 2.920 20 10 FFCDLO O=C1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCN1C1CCCC1 ZINC001237055937 1038424957 /nfs/dbraw/zinc/42/49/57/1038424957.db2.gz JHBYVXUCYWJGBK-UHFFFAOYSA-N 1 2 372.387 2.920 20 10 FFCDLO C[NH+]1CCN(c2ccc(CN3CC(F)(F)C3)cc2Br)CC1 ZINC001237090982 1038440871 /nfs/dbraw/zinc/44/08/71/1038440871.db2.gz UZKWYQFYMOFUDC-UHFFFAOYSA-N 1 2 360.246 2.652 20 10 FFCDLO C[NH+]1CCN(c2ccc(CN3CC[C@H](F)C3)cc2Br)CC1 ZINC001237091392 1038441127 /nfs/dbraw/zinc/44/11/27/1038441127.db2.gz ZTKLJJUKUXZVMO-AWEZNQCLSA-N 1 2 356.283 2.745 20 10 FFCDLO COC[C@H]1Cn2nccc2C[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237110258 1038446457 /nfs/dbraw/zinc/44/64/57/1038446457.db2.gz BTYBCWVVSKZNID-GFCCVEGCSA-N 1 2 371.359 2.766 20 10 FFCDLO COC[C@H]1Cn2nccc2C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237110258 1038446458 /nfs/dbraw/zinc/44/64/58/1038446458.db2.gz BTYBCWVVSKZNID-GFCCVEGCSA-N 1 2 371.359 2.766 20 10 FFCDLO COC(=O)c1c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC001262112022 1041566814 /nfs/dbraw/zinc/56/68/14/1041566814.db2.gz WWYSHDOLVOGYPZ-LLVKDONJSA-N 1 2 370.371 2.554 20 10 FFCDLO COC(=O)c1c(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC001262112022 1041566819 /nfs/dbraw/zinc/56/68/19/1041566819.db2.gz WWYSHDOLVOGYPZ-LLVKDONJSA-N 1 2 370.371 2.554 20 10 FFCDLO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001279442716 1043118151 /nfs/dbraw/zinc/11/81/51/1043118151.db2.gz UAAZHFHARAXZKJ-ZBFHGGJFSA-N 1 2 360.889 2.968 20 10 FFCDLO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001279442716 1043118156 /nfs/dbraw/zinc/11/81/56/1043118156.db2.gz UAAZHFHARAXZKJ-ZBFHGGJFSA-N 1 2 360.889 2.968 20 10 FFCDLO COc1cc(Cl)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)c1O ZINC001279476121 1043159928 /nfs/dbraw/zinc/15/99/28/1043159928.db2.gz HVRBGMRCVWBRGK-GASCZTMLSA-N 1 2 367.877 2.821 20 10 FFCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NC(C)C)c1O ZINC001279476121 1043159931 /nfs/dbraw/zinc/15/99/31/1043159931.db2.gz HVRBGMRCVWBRGK-GASCZTMLSA-N 1 2 367.877 2.821 20 10 FFCDLO Cc1noc(C)c1NC(=O)N1CCC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001279528945 1043229061 /nfs/dbraw/zinc/22/90/61/1043229061.db2.gz KFOUDSXSGYFRLY-UHFFFAOYSA-N 1 2 360.389 2.628 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)cc1Cl ZINC001279572193 1043276180 /nfs/dbraw/zinc/27/61/80/1043276180.db2.gz XMEIEUMJPPQEMG-LPHOPBHVSA-N 1 2 366.889 2.882 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)cc1Cl ZINC001279572193 1043276182 /nfs/dbraw/zinc/27/61/82/1043276182.db2.gz XMEIEUMJPPQEMG-LPHOPBHVSA-N 1 2 366.889 2.882 20 10 FFCDLO Oc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)cc1Cl ZINC001279573088 1043278187 /nfs/dbraw/zinc/27/81/87/1043278187.db2.gz SHSBLUDIVABEJU-GASCZTMLSA-N 1 2 352.862 2.579 20 10 FFCDLO Oc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)cc1Cl ZINC001279573088 1043278203 /nfs/dbraw/zinc/27/82/03/1043278203.db2.gz SHSBLUDIVABEJU-GASCZTMLSA-N 1 2 352.862 2.579 20 10 FFCDLO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC001237624239 1043279692 /nfs/dbraw/zinc/27/96/92/1043279692.db2.gz QQSAHDGRDAYCPA-GFCCVEGCSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC001237624239 1043279695 /nfs/dbraw/zinc/27/96/95/1043279695.db2.gz QQSAHDGRDAYCPA-GFCCVEGCSA-N 1 2 353.781 2.637 20 10 FFCDLO [NH3+]C1(c2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2)CCC1 ZINC001237700078 1043319251 /nfs/dbraw/zinc/31/92/51/1043319251.db2.gz YCONVLPHAPUBGE-UHFFFAOYSA-N 1 2 360.464 2.830 20 10 FFCDLO COCCN1CC[C@@]2(CCC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001237798916 1043366057 /nfs/dbraw/zinc/36/60/57/1043366057.db2.gz DDENBRBQUHHUHR-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO COCCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001237798916 1043366066 /nfs/dbraw/zinc/36/60/66/1043366066.db2.gz DDENBRBQUHHUHR-GOSISDBHSA-N 1 2 370.852 2.646 20 10 FFCDLO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237801779 1043366342 /nfs/dbraw/zinc/36/63/42/1043366342.db2.gz WNBGIEZTJBTJKK-RHSMWYFYSA-N 1 2 357.809 2.729 20 10 FFCDLO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1cc(F)c(Cl)cc1O)CC2 ZINC001237948711 1043450104 /nfs/dbraw/zinc/45/01/04/1043450104.db2.gz HACXIMCYRPEPEH-UHFFFAOYSA-N 1 2 367.808 2.616 20 10 FFCDLO CCOC(=O)c1cnc2n1CC[N@H+](Cc1cc(F)c(Cl)cc1O)CC2 ZINC001237948711 1043450114 /nfs/dbraw/zinc/45/01/14/1043450114.db2.gz HACXIMCYRPEPEH-UHFFFAOYSA-N 1 2 367.808 2.616 20 10 FFCDLO Cc1cc(F)cc(C[NH+]2CC3(CCN3C(=O)Cc3ccsc3)C2)c1O ZINC001280031011 1044107318 /nfs/dbraw/zinc/10/73/18/1044107318.db2.gz CSCGLANNBXOOIF-UHFFFAOYSA-N 1 2 360.454 2.931 20 10 FFCDLO CN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001280108841 1044223109 /nfs/dbraw/zinc/22/31/09/1044223109.db2.gz AUDBHVJPUVGFFG-MEBBXXQBSA-N 1 2 373.678 2.718 20 10 FFCDLO CN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001280108841 1044223119 /nfs/dbraw/zinc/22/31/19/1044223119.db2.gz AUDBHVJPUVGFFG-MEBBXXQBSA-N 1 2 373.678 2.718 20 10 FFCDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC001326473160 1046947311 /nfs/dbraw/zinc/94/73/11/1046947311.db2.gz QLOACZAADJYNDK-UHFFFAOYSA-N 1 2 373.428 2.702 20 10 FFCDLO CNC(=O)C1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCCC1 ZINC001334368137 1049392243 /nfs/dbraw/zinc/39/22/43/1049392243.db2.gz SEZNRQAYRCKPHS-UHFFFAOYSA-N 1 2 361.667 2.957 20 10 FFCDLO CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305069313 1051794918 /nfs/dbraw/zinc/79/49/18/1051794918.db2.gz CXDUDUZKISCHMK-IOASZLSFSA-N 1 2 354.878 2.796 20 10 FFCDLO Cc1cc(C(=O)N2CC[N@H+](Cc3cc(Cl)c(C)cc3O)[C@H](C)C2)[nH]n1 ZINC001350619459 1055867159 /nfs/dbraw/zinc/86/71/59/1055867159.db2.gz DOZJJWOPHQOTPV-CYBMUJFWSA-N 1 2 362.861 2.732 20 10 FFCDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3cc(Cl)c(C)cc3O)[C@H](C)C2)[nH]n1 ZINC001350619459 1055867164 /nfs/dbraw/zinc/86/71/64/1055867164.db2.gz DOZJJWOPHQOTPV-CYBMUJFWSA-N 1 2 362.861 2.732 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001469103452 1064091923 /nfs/dbraw/zinc/09/19/23/1064091923.db2.gz HSBDZADDZGYLPT-QRWLVFNGSA-N 1 2 369.513 2.912 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001469103452 1064091926 /nfs/dbraw/zinc/09/19/26/1064091926.db2.gz HSBDZADDZGYLPT-QRWLVFNGSA-N 1 2 369.513 2.912 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001469876577 1064222537 /nfs/dbraw/zinc/22/25/37/1064222537.db2.gz HTWAYXMPSHIPDC-KRWDZBQOSA-N 1 2 360.841 2.945 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001469876577 1064222543 /nfs/dbraw/zinc/22/25/43/1064222543.db2.gz HTWAYXMPSHIPDC-KRWDZBQOSA-N 1 2 360.841 2.945 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001469876578 1064222595 /nfs/dbraw/zinc/22/25/95/1064222595.db2.gz HTWAYXMPSHIPDC-QGZVFWFLSA-N 1 2 360.841 2.945 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001469876578 1064222598 /nfs/dbraw/zinc/22/25/98/1064222598.db2.gz HTWAYXMPSHIPDC-QGZVFWFLSA-N 1 2 360.841 2.945 20 10 FFCDLO C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1ccccc1[N+](=O)[O-] ZINC001589870178 1080819016 /nfs/dbraw/zinc/81/90/16/1080819016.db2.gz PCQQHVAZKSPARW-NEPJUHHUSA-N 1 2 368.397 2.935 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589953366 1080899947 /nfs/dbraw/zinc/89/99/47/1080899947.db2.gz FNPXASHEQRHILA-STQMWFEESA-N 1 2 368.416 2.641 20 10 FFCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000359995315 210204205 /nfs/dbraw/zinc/20/42/05/210204205.db2.gz CVVZSURYGSISHW-ZIAGYGMSSA-N 1 2 372.259 2.616 20 10 FFCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000359995315 210204207 /nfs/dbraw/zinc/20/42/07/210204207.db2.gz CVVZSURYGSISHW-ZIAGYGMSSA-N 1 2 372.259 2.616 20 10 FFCDLO COc1ccc(N2CCC[N@H+](CC(=O)Nc3cccnc3Cl)CC2)cc1 ZINC000053773333 506441492 /nfs/dbraw/zinc/44/14/92/506441492.db2.gz RMJDLGJYMPQQLE-UHFFFAOYSA-N 1 2 374.872 2.894 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3cccnc3Cl)CC2)cc1 ZINC000053773333 506441496 /nfs/dbraw/zinc/44/14/96/506441496.db2.gz RMJDLGJYMPQQLE-UHFFFAOYSA-N 1 2 374.872 2.894 20 10 FFCDLO Oc1ccccc1C[N@@H+](Cc1nnnn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000070976837 507673547 /nfs/dbraw/zinc/67/35/47/507673547.db2.gz XXPJQZMNQRAVRZ-SFHVURJKSA-N 1 2 365.437 2.549 20 10 FFCDLO Oc1ccccc1C[N@H+](Cc1nnnn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000070976837 507673551 /nfs/dbraw/zinc/67/35/51/507673551.db2.gz XXPJQZMNQRAVRZ-SFHVURJKSA-N 1 2 365.437 2.549 20 10 FFCDLO C[N@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)Cc1ccccc1O ZINC000111236170 508081170 /nfs/dbraw/zinc/08/11/70/508081170.db2.gz BEUMERABACJESO-UHFFFAOYSA-N 1 2 361.352 2.601 20 10 FFCDLO C[N@@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)Cc1ccccc1O ZINC000111236170 508081173 /nfs/dbraw/zinc/08/11/73/508081173.db2.gz BEUMERABACJESO-UHFFFAOYSA-N 1 2 361.352 2.601 20 10 FFCDLO COc1ccc(O)c(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000114591780 508329032 /nfs/dbraw/zinc/32/90/32/508329032.db2.gz SRKGPBWPRRXQOJ-UHFFFAOYSA-N 1 2 370.384 2.725 20 10 FFCDLO O=C(Cc1cn2ccccc2[nH+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117975685 508625189 /nfs/dbraw/zinc/62/51/89/508625189.db2.gz UYIFPXRNMLLIPT-SFHVURJKSA-N 1 2 365.433 2.790 20 10 FFCDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C)c(O)c1O ZINC000179509933 509488108 /nfs/dbraw/zinc/48/81/08/509488108.db2.gz YKKFBQUBQNDOBG-UHFFFAOYSA-N 1 2 356.422 2.799 20 10 FFCDLO CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1cn(-c2ccccc2)nn1 ZINC000176531654 509566613 /nfs/dbraw/zinc/56/66/13/509566613.db2.gz ZPJAVYPLLCXJKK-UHFFFAOYSA-N 1 2 353.382 2.906 20 10 FFCDLO CCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177001074 509810905 /nfs/dbraw/zinc/81/09/05/509810905.db2.gz QCXIWYJVBIHKTE-UHFFFAOYSA-N 1 2 352.862 2.986 20 10 FFCDLO Cc1cn2cc(NC(=O)NCc3ccc(N4CCOCC4)cc3)ccc2[nH+]1 ZINC000265702614 510185342 /nfs/dbraw/zinc/18/53/42/510185342.db2.gz IYQURQKPUDFDHY-UHFFFAOYSA-N 1 2 365.437 2.801 20 10 FFCDLO OC[C@@H]1CCCN(c2cc(NCc3ccc(N4CCCC4)cc3)[nH+]cn2)C1 ZINC000171838269 510400944 /nfs/dbraw/zinc/40/09/44/510400944.db2.gz PLGFCLCBNNCFJG-GOSISDBHSA-N 1 2 367.497 2.898 20 10 FFCDLO OC[C@@H]1CCCN(c2cc(NCc3ccc(N4CCCC4)cc3)nc[nH+]2)C1 ZINC000171838269 510400952 /nfs/dbraw/zinc/40/09/52/510400952.db2.gz PLGFCLCBNNCFJG-GOSISDBHSA-N 1 2 367.497 2.898 20 10 FFCDLO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000187769357 510425229 /nfs/dbraw/zinc/42/52/29/510425229.db2.gz UGXNENIZMQLGOE-LLVKDONJSA-N 1 2 350.365 2.760 20 10 FFCDLO CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000184995359 510622578 /nfs/dbraw/zinc/62/25/78/510622578.db2.gz VRNOQSKAECJGEG-SNVBAGLBSA-N 1 2 360.285 2.560 20 10 FFCDLO COc1c(C)c[nH+]c(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2O)c1C ZINC000278497438 510996076 /nfs/dbraw/zinc/99/60/76/510996076.db2.gz MYXQNKRXHVZNJI-UHFFFAOYSA-N 1 2 361.398 2.961 20 10 FFCDLO COc1c(C)cnc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)c1C ZINC000278497438 510996080 /nfs/dbraw/zinc/99/60/80/510996080.db2.gz MYXQNKRXHVZNJI-UHFFFAOYSA-N 1 2 361.398 2.961 20 10 FFCDLO COc1c(C)cnc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)c1C ZINC000278497438 510996082 /nfs/dbraw/zinc/99/60/82/510996082.db2.gz MYXQNKRXHVZNJI-UHFFFAOYSA-N 1 2 361.398 2.961 20 10 FFCDLO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273424156 511526239 /nfs/dbraw/zinc/52/62/39/511526239.db2.gz SXZBKHWMBMWMGI-RISCZKNCSA-N 1 2 350.346 2.530 20 10 FFCDLO Cc1nc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC000299243713 511563745 /nfs/dbraw/zinc/56/37/45/511563745.db2.gz JGAKNVWNMVGPIR-GOSISDBHSA-N 1 2 358.511 2.971 20 10 FFCDLO Cc1nc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC000299243713 511563749 /nfs/dbraw/zinc/56/37/49/511563749.db2.gz JGAKNVWNMVGPIR-GOSISDBHSA-N 1 2 358.511 2.971 20 10 FFCDLO CCNC(=O)c1ccc(NC2CC[NH+](c3ccc(OC)cc3)CC2)nc1 ZINC000301238769 511692134 /nfs/dbraw/zinc/69/21/34/511692134.db2.gz MYRSKZVZTYZAKP-UHFFFAOYSA-N 1 2 354.454 2.921 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000079432499 728313028 /nfs/dbraw/zinc/31/30/28/728313028.db2.gz IEFBZCSVEGVBIC-CQSZACIVSA-N 1 2 352.406 2.833 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000079432499 728313032 /nfs/dbraw/zinc/31/30/32/728313032.db2.gz IEFBZCSVEGVBIC-CQSZACIVSA-N 1 2 352.406 2.833 20 10 FFCDLO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000093772928 728477692 /nfs/dbraw/zinc/47/76/92/728477692.db2.gz KVKHRSYOYKDBIB-JTQLQIEISA-N 1 2 360.248 2.935 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000093772928 728477693 /nfs/dbraw/zinc/47/76/93/728477693.db2.gz KVKHRSYOYKDBIB-JTQLQIEISA-N 1 2 360.248 2.935 20 10 FFCDLO CCOCC[NH+]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000110923455 728533632 /nfs/dbraw/zinc/53/36/32/728533632.db2.gz FXNHASHIWIIOQF-UHFFFAOYSA-N 1 2 361.511 2.950 20 10 FFCDLO O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180062065 729202523 /nfs/dbraw/zinc/20/25/23/729202523.db2.gz CCGUEUFEVFRKJZ-UHFFFAOYSA-N 1 2 350.340 2.768 20 10 FFCDLO COc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1Cn1cccn1 ZINC000873132653 731878941 /nfs/dbraw/zinc/87/89/41/731878941.db2.gz ZLOLNMZTMSKXBD-UHFFFAOYSA-N 1 2 355.467 2.959 20 10 FFCDLO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883107895 733334765 /nfs/dbraw/zinc/33/47/65/733334765.db2.gz OMUTUHDCCUJKIJ-LLVKDONJSA-N 1 2 359.239 2.642 20 10 FFCDLO O=C1[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C[C@@H]2CCCCN12 ZINC000883140610 733340908 /nfs/dbraw/zinc/34/09/08/733340908.db2.gz ZEERPPHYEUCLSO-WCQYABFASA-N 1 2 357.223 2.537 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)c1O ZINC000783728606 738830033 /nfs/dbraw/zinc/83/00/33/738830033.db2.gz MZPGXKOHKKWVQG-CQSZACIVSA-N 1 2 355.276 2.810 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)c1O ZINC000783728606 738830036 /nfs/dbraw/zinc/83/00/36/738830036.db2.gz MZPGXKOHKKWVQG-CQSZACIVSA-N 1 2 355.276 2.810 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000894500384 734869909 /nfs/dbraw/zinc/86/99/09/734869909.db2.gz NEDMSCKLEZWJJI-UHFFFAOYSA-N 1 2 354.166 2.886 20 10 FFCDLO CC(=O)c1cc(Cl)cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1O ZINC000750032492 735767393 /nfs/dbraw/zinc/76/73/93/735767393.db2.gz ARZGXDDQYLZECR-INIZCTEOSA-N 1 2 352.862 2.545 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1 ZINC000903342136 736077808 /nfs/dbraw/zinc/07/78/08/736077808.db2.gz XGZBCWAVZLBOKX-SECBINFHSA-N 1 2 357.332 2.782 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)c(F)cc1O ZINC000756542468 736340229 /nfs/dbraw/zinc/34/02/29/736340229.db2.gz ANOQJIMKGGQVME-GHMZBOCLSA-N 1 2 361.255 2.665 20 10 FFCDLO Cc1cc(NC(=O)NCc2cccc(Br)c2O)c(C)c[nH+]1 ZINC000765331093 737109528 /nfs/dbraw/zinc/10/95/28/737109528.db2.gz ZMEGWQLVGVHQBM-UHFFFAOYSA-N 1 2 350.216 2.910 20 10 FFCDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000775644976 738108794 /nfs/dbraw/zinc/10/87/94/738108794.db2.gz YZJQSHVLPQAEMK-LLVKDONJSA-N 1 2 354.859 2.886 20 10 FFCDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000775644976 738108795 /nfs/dbraw/zinc/10/87/95/738108795.db2.gz YZJQSHVLPQAEMK-LLVKDONJSA-N 1 2 354.859 2.886 20 10 FFCDLO CC(C)O[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOC1 ZINC000922609352 738173133 /nfs/dbraw/zinc/17/31/33/738173133.db2.gz ITZXKRKIYPVACR-HNNXBMFYSA-N 1 2 362.239 2.968 20 10 FFCDLO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(Br)c3O)[C@H]2C1 ZINC000808448049 741227048 /nfs/dbraw/zinc/22/70/48/741227048.db2.gz WIOZSVRCZMVKQV-DZKIICNBSA-N 1 2 367.287 2.891 20 10 FFCDLO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cccc(Cl)c2O)CC1 ZINC000809786242 741344036 /nfs/dbraw/zinc/34/40/36/741344036.db2.gz VIVCYYOQCIUANP-ZDUSSCGKSA-N 1 2 374.934 2.928 20 10 FFCDLO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cccc(Cl)c2O)CC1 ZINC000809786242 741344040 /nfs/dbraw/zinc/34/40/40/741344040.db2.gz VIVCYYOQCIUANP-ZDUSSCGKSA-N 1 2 374.934 2.928 20 10 FFCDLO CN(CCCn1cc[nH+]c1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817999314 742227812 /nfs/dbraw/zinc/22/78/12/742227812.db2.gz RQQHHAPZSSFPOE-UHFFFAOYSA-N 1 2 355.467 2.675 20 10 FFCDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000824616498 743117041 /nfs/dbraw/zinc/11/70/41/743117041.db2.gz WQSCHQYNBUWQFW-LBPRGKRZSA-N 1 2 357.248 2.817 20 10 FFCDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000824616498 743117048 /nfs/dbraw/zinc/11/70/48/743117048.db2.gz WQSCHQYNBUWQFW-LBPRGKRZSA-N 1 2 357.248 2.817 20 10 FFCDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(Br)cc3O)[C@H]2C1 ZINC000824943908 743183900 /nfs/dbraw/zinc/18/39/00/743183900.db2.gz VYGVYJYGDZPXES-YCPHGPKFSA-N 1 2 356.260 2.923 20 10 FFCDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(Br)cc3O)[C@H]2C1 ZINC000824943908 743183902 /nfs/dbraw/zinc/18/39/02/743183902.db2.gz VYGVYJYGDZPXES-YCPHGPKFSA-N 1 2 356.260 2.923 20 10 FFCDLO Oc1cc(Br)ccc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000825451146 743273359 /nfs/dbraw/zinc/27/33/59/743273359.db2.gz QOOYACMYZCLTOM-UHFFFAOYSA-N 1 2 362.271 2.868 20 10 FFCDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(Br)cc1O)C1CCOCC1 ZINC000825671133 743309045 /nfs/dbraw/zinc/30/90/45/743309045.db2.gz GDTOOIKTHSEBNS-OAHLLOKOSA-N 1 2 372.259 2.603 20 10 FFCDLO Cc1cc(O)c(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000840916948 747224786 /nfs/dbraw/zinc/22/47/86/747224786.db2.gz LXHRPHNGWOMPPA-HNNXBMFYSA-N 1 2 366.889 2.957 20 10 FFCDLO Cc1cc(O)c(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000840916948 747224790 /nfs/dbraw/zinc/22/47/90/747224790.db2.gz LXHRPHNGWOMPPA-HNNXBMFYSA-N 1 2 366.889 2.957 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837036 1013058751 /nfs/dbraw/zinc/05/87/51/1013058751.db2.gz AOQBFRMQKXMSIL-SGTLLEGYSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837036 1013058760 /nfs/dbraw/zinc/05/87/60/1013058760.db2.gz AOQBFRMQKXMSIL-SGTLLEGYSA-N 1 2 350.846 2.590 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCc3nnn(C4CC(C)C4)c3C2)cc1OC ZINC000872686412 1013247339 /nfs/dbraw/zinc/24/73/39/1013247339.db2.gz JFVAZVQDQRHQTC-UHFFFAOYSA-N 1 2 358.442 2.530 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCc3nnn(C4CC(C)C4)c3C2)cc1OC ZINC000872686412 1013247350 /nfs/dbraw/zinc/24/73/50/1013247350.db2.gz JFVAZVQDQRHQTC-UHFFFAOYSA-N 1 2 358.442 2.530 20 10 FFCDLO C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245255 962558845 /nfs/dbraw/zinc/55/88/45/962558845.db2.gz BHEJIGJNKPZDBW-JSNMRZPZSA-N 1 2 369.513 2.561 20 10 FFCDLO Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(O)c1O ZINC000179498353 968810200 /nfs/dbraw/zinc/81/02/00/968810200.db2.gz RFEJPKSETIRSAC-VMPITWQZSA-N 1 2 352.434 2.877 20 10 FFCDLO CC1(C(N)=O)CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141373254 975565365 /nfs/dbraw/zinc/56/53/65/975565365.db2.gz UYFSRWGAPXFTGC-UHFFFAOYSA-N 1 2 361.667 2.896 20 10 FFCDLO Cc1nc(C2([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)CCCC2)no1 ZINC000877001821 1014446940 /nfs/dbraw/zinc/44/69/40/1014446940.db2.gz JOXSOFCBAQSFPN-UHFFFAOYSA-N 1 2 356.470 2.898 20 10 FFCDLO COC(=O)c1coc([C@@H](C)[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000877983331 1014796919 /nfs/dbraw/zinc/79/69/19/1014796919.db2.gz KWNDZAZKZLKAPW-CQSZACIVSA-N 1 2 359.426 2.743 20 10 FFCDLO COC(=O)c1coc([C@@H](C)[N@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000877983331 1014796934 /nfs/dbraw/zinc/79/69/34/1014796934.db2.gz KWNDZAZKZLKAPW-CQSZACIVSA-N 1 2 359.426 2.743 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CC[C@@H](C)O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000173570850 985895838 /nfs/dbraw/zinc/89/58/38/985895838.db2.gz SRRJAROSMGRBAH-OAHLLOKOSA-N 1 2 372.465 2.751 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CC[C@@H](C)O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000173570850 985895851 /nfs/dbraw/zinc/89/58/51/985895851.db2.gz SRRJAROSMGRBAH-OAHLLOKOSA-N 1 2 372.465 2.751 20 10 FFCDLO OC[C@H]1CCCN(c2cc(NCc3c(O)ccc4c3CCCC4)[nH+]cn2)C1 ZINC000811808267 995258673 /nfs/dbraw/zinc/25/86/73/995258673.db2.gz BOAZJGXSBWXBGQ-HNNXBMFYSA-N 1 2 368.481 2.882 20 10 FFCDLO OC[C@H]1CCCN(c2cc(NCc3c(O)ccc4c3CCCC4)nc[nH+]2)C1 ZINC000811808267 995258681 /nfs/dbraw/zinc/25/86/81/995258681.db2.gz BOAZJGXSBWXBGQ-HNNXBMFYSA-N 1 2 368.481 2.882 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)cc1 ZINC000824374701 996919412 /nfs/dbraw/zinc/91/94/12/996919412.db2.gz YHRFAQQGLFGPDF-APWZRJJASA-N 1 2 356.470 2.874 20 10 FFCDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000844391775 997852669 /nfs/dbraw/zinc/85/26/69/997852669.db2.gz BHMCCQIFHFHKKX-RBUKOAKNSA-N 1 2 356.466 2.667 20 10 FFCDLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000844391775 997852679 /nfs/dbraw/zinc/85/26/79/997852679.db2.gz BHMCCQIFHFHKKX-RBUKOAKNSA-N 1 2 356.466 2.667 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000844399910 997859971 /nfs/dbraw/zinc/85/99/71/997859971.db2.gz SDDGFHAXQLEJTQ-MRXNPFEDSA-N 1 2 366.469 2.800 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000844399910 997859984 /nfs/dbraw/zinc/85/99/84/997859984.db2.gz SDDGFHAXQLEJTQ-MRXNPFEDSA-N 1 2 366.469 2.800 20 10 FFCDLO O=C1[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000826887960 1016169300 /nfs/dbraw/zinc/16/93/00/1016169300.db2.gz CWNXAGODTBGTCV-IYBDPMFKSA-N 1 2 370.836 2.663 20 10 FFCDLO O=C1[C@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000826887960 1016169305 /nfs/dbraw/zinc/16/93/05/1016169305.db2.gz CWNXAGODTBGTCV-IYBDPMFKSA-N 1 2 370.836 2.663 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)OCCn2cc[nH+]c2)CCCC1 ZINC000845298090 998488481 /nfs/dbraw/zinc/48/84/81/998488481.db2.gz HLPBQKPJODNCKW-UHFFFAOYSA-N 1 2 353.422 2.969 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000741092133 999708545 /nfs/dbraw/zinc/70/85/45/999708545.db2.gz XBYFHUQHJHPNFH-IBGZPJMESA-N 1 2 351.454 2.806 20 10 FFCDLO Fc1cc(CN2CC[NH+](Cc3ccco3)CC2)ccc1N1CCOCC1 ZINC000768214845 1000196066 /nfs/dbraw/zinc/19/60/66/1000196066.db2.gz RHBZQZOCZOTISM-UHFFFAOYSA-N 1 2 359.445 2.573 20 10 FFCDLO Cc1nc(N(C)C)nc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)[nH+]1 ZINC000768521598 1000280786 /nfs/dbraw/zinc/28/07/86/1000280786.db2.gz AAKZUSAGKQEWQV-BETUJISGSA-N 1 2 374.464 2.611 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001276191557 1016501460 /nfs/dbraw/zinc/50/14/60/1016501460.db2.gz LUSSTBOJBUWZCP-BUXKBTBVSA-N 1 2 366.408 2.605 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001276191557 1016501473 /nfs/dbraw/zinc/50/14/73/1016501473.db2.gz LUSSTBOJBUWZCP-BUXKBTBVSA-N 1 2 366.408 2.605 20 10 FFCDLO CCOC1CC(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)(N2CCOCC2)C1 ZINC000774475456 1001925526 /nfs/dbraw/zinc/92/55/26/1001925526.db2.gz JLPSMTATROIUCL-VZDIAYEVSA-N 1 2 370.440 2.591 20 10 FFCDLO COc1c(O)c(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000774876617 1002940073 /nfs/dbraw/zinc/94/00/73/1002940073.db2.gz BOKYCTABZQOUMI-MRXNPFEDSA-N 1 2 371.393 2.546 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000774876617 1002940082 /nfs/dbraw/zinc/94/00/82/1002940082.db2.gz BOKYCTABZQOUMI-MRXNPFEDSA-N 1 2 371.393 2.546 20 10 FFCDLO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000793239771 1003317188 /nfs/dbraw/zinc/31/71/88/1003317188.db2.gz GCKHGBYWYHMQHI-OAQYLSRUSA-N 1 2 371.525 2.937 20 10 FFCDLO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000793239771 1003317201 /nfs/dbraw/zinc/31/72/01/1003317201.db2.gz GCKHGBYWYHMQHI-OAQYLSRUSA-N 1 2 371.525 2.937 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC(O)(CO)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000852499793 1006057236 /nfs/dbraw/zinc/05/72/36/1006057236.db2.gz ZGHBAUXPPMWWGX-UHFFFAOYSA-N 1 2 370.493 2.713 20 10 FFCDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC000815114099 1006512882 /nfs/dbraw/zinc/51/28/82/1006512882.db2.gz OSXOVNLMMZSYFI-UHFFFAOYSA-N 1 2 373.522 2.527 20 10 FFCDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC000815114099 1006512893 /nfs/dbraw/zinc/51/28/93/1006512893.db2.gz OSXOVNLMMZSYFI-UHFFFAOYSA-N 1 2 373.522 2.527 20 10 FFCDLO Cc1cc(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815093691 1006516326 /nfs/dbraw/zinc/51/63/26/1006516326.db2.gz QKUTYZJHALOPSF-KRWDZBQOSA-N 1 2 363.502 2.787 20 10 FFCDLO Cc1cc(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815093691 1006516334 /nfs/dbraw/zinc/51/63/34/1006516334.db2.gz QKUTYZJHALOPSF-KRWDZBQOSA-N 1 2 363.502 2.787 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)C2)cc1 ZINC000854301124 1006766448 /nfs/dbraw/zinc/76/64/48/1006766448.db2.gz ITVNXSRNCXPDAF-JKSUJKDBSA-N 1 2 369.469 2.586 20 10 FFCDLO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119322 1008865687 /nfs/dbraw/zinc/86/56/87/1008865687.db2.gz ORXBOAGWTGHPIP-NSHDSACASA-N 1 2 356.813 2.669 20 10 FFCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000773740302 1008953740 /nfs/dbraw/zinc/95/37/40/1008953740.db2.gz CQACQLLYUSSEJL-CQSZACIVSA-N 1 2 351.406 2.704 20 10 FFCDLO COc1ccc(C[NH+]2CCN(CCc3ccccc3)CC2)c(O)c1OC ZINC001180461894 1009706144 /nfs/dbraw/zinc/70/61/44/1009706144.db2.gz CPQDXSUYYHQCIA-UHFFFAOYSA-N 1 2 356.466 2.770 20 10 FFCDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000119777068 1010374218 /nfs/dbraw/zinc/37/42/18/1010374218.db2.gz MGVMCTLSBQBFHW-OAHLLOKOSA-N 1 2 369.517 2.703 20 10 FFCDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000119777068 1010374224 /nfs/dbraw/zinc/37/42/24/1010374224.db2.gz MGVMCTLSBQBFHW-OAHLLOKOSA-N 1 2 369.517 2.703 20 10 FFCDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000123177432 1012435786 /nfs/dbraw/zinc/43/57/86/1012435786.db2.gz KWWSGOBCEPMELU-UHFFFAOYSA-N 1 2 354.410 2.966 20 10 FFCDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000123177432 1012435800 /nfs/dbraw/zinc/43/58/00/1012435800.db2.gz KWWSGOBCEPMELU-UHFFFAOYSA-N 1 2 354.410 2.966 20 10 FFCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1CC2(CCCC2)OC1=O ZINC000778568160 1022112389 /nfs/dbraw/zinc/11/23/89/1022112389.db2.gz ZXUZOXUNNLUEBE-UHFFFAOYSA-N 1 2 359.470 2.678 20 10 FFCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1CC2(CCCC2)OC1=O ZINC000778568160 1022112395 /nfs/dbraw/zinc/11/23/95/1022112395.db2.gz ZXUZOXUNNLUEBE-UHFFFAOYSA-N 1 2 359.470 2.678 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CC(C)(CO)CO)c(C)n1-c1ccccc1C ZINC000759166241 1024501268 /nfs/dbraw/zinc/50/12/68/1024501268.db2.gz DZHFBUOGJJTZHE-UHFFFAOYSA-N 1 2 358.482 2.508 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CC(C)(CO)CO)c(C)n1-c1ccccc1C ZINC000759166241 1024501273 /nfs/dbraw/zinc/50/12/73/1024501273.db2.gz DZHFBUOGJJTZHE-UHFFFAOYSA-N 1 2 358.482 2.508 20 10 FFCDLO COCC1(O)CC[NH+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 ZINC000759315500 1024559924 /nfs/dbraw/zinc/55/99/24/1024559924.db2.gz DUMZOTZFTGDGCN-UHFFFAOYSA-N 1 2 374.456 2.889 20 10 FFCDLO COc1ccc(N2CC[NH+](Cn3nccc3-c3ccncc3)CC2)cc1F ZINC000084926060 1025158335 /nfs/dbraw/zinc/15/83/35/1025158335.db2.gz RPEBVJUICCKSRQ-UHFFFAOYSA-N 1 2 367.428 2.873 20 10 FFCDLO Cc1noc(C2C[NH+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)n1 ZINC000839131009 1026597876 /nfs/dbraw/zinc/59/78/76/1026597876.db2.gz MDKKACUMWTUYTI-UHFFFAOYSA-N 1 2 357.414 2.876 20 10 FFCDLO Cc1cc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(C)[nH+]1 ZINC000839486241 1026697264 /nfs/dbraw/zinc/69/72/64/1026697264.db2.gz XMBZPIJMRFRLMT-UHFFFAOYSA-N 1 2 354.454 2.636 20 10 FFCDLO CCN(CC)c1ccc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000093843615 1027851745 /nfs/dbraw/zinc/85/17/45/1027851745.db2.gz UXITVWZTTJBBLU-LJQANCHMSA-N 1 2 372.557 2.661 20 10 FFCDLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000781323148 1029143284 /nfs/dbraw/zinc/14/32/84/1029143284.db2.gz JMKVGXHLYKCHMG-UHFFFAOYSA-N 1 2 358.413 2.943 20 10 FFCDLO CCN(CC)c1ccc(CN(C)C(=O)C2([NH+]3CCOCC3)CCC2)cc1 ZINC000782555861 1029745358 /nfs/dbraw/zinc/74/53/58/1029745358.db2.gz NRLGKOVFBBZKAP-UHFFFAOYSA-N 1 2 359.514 2.746 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2nnn(CC3CC3)c21 ZINC001203671357 1030816247 /nfs/dbraw/zinc/81/62/47/1030816247.db2.gz OZPJQYIYJFIFQI-INIZCTEOSA-N 1 2 372.469 2.538 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2nnn(CC3CC3)c21 ZINC001203671357 1030816272 /nfs/dbraw/zinc/81/62/72/1030816272.db2.gz OZPJQYIYJFIFQI-INIZCTEOSA-N 1 2 372.469 2.538 20 10 FFCDLO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c1 ZINC001203669406 1030818077 /nfs/dbraw/zinc/81/80/77/1030818077.db2.gz BAHXCJOVSCCEMZ-AWEZNQCLSA-N 1 2 354.422 2.792 20 10 FFCDLO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c1 ZINC001203669406 1030818099 /nfs/dbraw/zinc/81/80/99/1030818099.db2.gz BAHXCJOVSCCEMZ-AWEZNQCLSA-N 1 2 354.422 2.792 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)Cc2nnn(C)c21 ZINC001203939706 1030997365 /nfs/dbraw/zinc/99/73/65/1030997365.db2.gz RBFXEFINPMFUPP-QGZVFWFLSA-N 1 2 357.502 2.797 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)Cc2nnn(C)c21 ZINC001203939706 1030997382 /nfs/dbraw/zinc/99/73/82/1030997382.db2.gz RBFXEFINPMFUPP-QGZVFWFLSA-N 1 2 357.502 2.797 20 10 FFCDLO COc1cc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)cc(O)c1O ZINC001204350492 1031247766 /nfs/dbraw/zinc/24/77/66/1031247766.db2.gz IECWGXSBIIPAMJ-INIZCTEOSA-N 1 2 356.413 2.802 20 10 FFCDLO CC(C)CN1C[C@@]2(CC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276967658 1033864704 /nfs/dbraw/zinc/86/47/04/1033864704.db2.gz RVMLGXUVSHLHHV-SFHVURJKSA-N 1 2 370.852 2.644 20 10 FFCDLO CC(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276967658 1033864716 /nfs/dbraw/zinc/86/47/16/1033864716.db2.gz RVMLGXUVSHLHHV-SFHVURJKSA-N 1 2 370.852 2.644 20 10 FFCDLO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000834519056 1035403129 /nfs/dbraw/zinc/40/31/29/1035403129.db2.gz YVAUVPHCWRVJLH-UHFFFAOYSA-N 1 2 372.469 2.731 20 10 FFCDLO CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1c(O)cc(F)cc1F)CC2 ZINC001140581278 1035661732 /nfs/dbraw/zinc/66/17/32/1035661732.db2.gz NZCUNNRXUVYATN-UHFFFAOYSA-N 1 2 368.405 2.904 20 10 FFCDLO CCOC(=O)c1nc2c(s1)CC[N@@H+](Cc1c(O)cc(F)cc1F)CC2 ZINC001140581278 1035661738 /nfs/dbraw/zinc/66/17/38/1035661738.db2.gz NZCUNNRXUVYATN-UHFFFAOYSA-N 1 2 368.405 2.904 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231475 1035670970 /nfs/dbraw/zinc/67/09/70/1035670970.db2.gz CCYUEEZAXGIWGH-SGTLLEGYSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2O)C1=O ZINC001277231475 1035670979 /nfs/dbraw/zinc/67/09/79/1035670979.db2.gz CCYUEEZAXGIWGH-SGTLLEGYSA-N 1 2 350.846 2.590 20 10 FFCDLO O=C1C[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C(=O)N1CC(F)F ZINC001277231686 1035671262 /nfs/dbraw/zinc/67/12/62/1035671262.db2.gz FFYXJVGNIQZOPO-KRWDZBQOSA-N 1 2 372.799 2.652 20 10 FFCDLO O=C1C[C@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C(=O)N1CC(F)F ZINC001277231686 1035671264 /nfs/dbraw/zinc/67/12/64/1035671264.db2.gz FFYXJVGNIQZOPO-KRWDZBQOSA-N 1 2 372.799 2.652 20 10 FFCDLO CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001277232748 1035682419 /nfs/dbraw/zinc/68/24/19/1035682419.db2.gz ZCYIWNRNPMJAAE-CYBMUJFWSA-N 1 2 364.873 2.838 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[NH+]3CC4(CCO4)C3)c2)nc1C ZINC001232453523 1035696771 /nfs/dbraw/zinc/69/67/71/1035696771.db2.gz IREVPFUMGYFSPY-UHFFFAOYSA-N 1 2 374.462 2.976 20 10 FFCDLO Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H]3CCC[N@@H+](C)C3)c1C2=O ZINC001227995376 1035861020 /nfs/dbraw/zinc/86/10/20/1035861020.db2.gz WBFFWKIHODWVIC-CYBMUJFWSA-N 1 2 367.401 2.655 20 10 FFCDLO Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H]3CCC[N@H+](C)C3)c1C2=O ZINC001227995376 1035861037 /nfs/dbraw/zinc/86/10/37/1035861037.db2.gz WBFFWKIHODWVIC-CYBMUJFWSA-N 1 2 367.401 2.655 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010978 1036246824 /nfs/dbraw/zinc/24/68/24/1036246824.db2.gz XHOIJEIIDOHNSQ-ZDUSSCGKSA-N 1 2 352.431 2.683 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010978 1036246839 /nfs/dbraw/zinc/24/68/39/1036246839.db2.gz XHOIJEIIDOHNSQ-ZDUSSCGKSA-N 1 2 352.431 2.683 20 10 FFCDLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(F)c(F)c3O)O2)n1 ZINC001233074490 1036318623 /nfs/dbraw/zinc/31/86/23/1036318623.db2.gz JINOMOLHAPEOEN-MCIONIFRSA-N 1 2 351.353 2.856 20 10 FFCDLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(F)c(F)c3O)O2)n1 ZINC001233074490 1036318638 /nfs/dbraw/zinc/31/86/38/1036318638.db2.gz JINOMOLHAPEOEN-MCIONIFRSA-N 1 2 351.353 2.856 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1cc(Br)c(OC)cc1O)C1CC1 ZINC001233143172 1036394802 /nfs/dbraw/zinc/39/48/02/1036394802.db2.gz ZDRYBSZHTIIIFU-UHFFFAOYSA-N 1 2 358.232 2.691 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1cc(Br)c(OC)cc1O)C1CC1 ZINC001233143172 1036394814 /nfs/dbraw/zinc/39/48/14/1036394814.db2.gz ZDRYBSZHTIIIFU-UHFFFAOYSA-N 1 2 358.232 2.691 20 10 FFCDLO CCOC(=O)c1ccnc(C[NH+]2CCN(c3ccc(OCC)cc3)CC2)c1 ZINC001233327797 1036534809 /nfs/dbraw/zinc/53/48/09/1036534809.db2.gz JIROUUZLYDGJMB-UHFFFAOYSA-N 1 2 369.465 2.979 20 10 FFCDLO CCOCc1nnn2c1C[N@H+](Cc1cccc(C(F)(F)F)c1O)CCC2 ZINC001233417272 1036611682 /nfs/dbraw/zinc/61/16/82/1036611682.db2.gz OMGRAWURPRETTF-UHFFFAOYSA-N 1 2 370.375 2.945 20 10 FFCDLO CCOCc1nnn2c1C[N@@H+](Cc1cccc(C(F)(F)F)c1O)CCC2 ZINC001233417272 1036611690 /nfs/dbraw/zinc/61/16/90/1036611690.db2.gz OMGRAWURPRETTF-UHFFFAOYSA-N 1 2 370.375 2.945 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c(OC)c1 ZINC001141026373 1036757110 /nfs/dbraw/zinc/75/71/10/1036757110.db2.gz NVKWOTAQTDVZFE-UHFFFAOYSA-N 1 2 364.442 2.605 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c(OC)c1 ZINC001141026373 1036757128 /nfs/dbraw/zinc/75/71/28/1036757128.db2.gz NVKWOTAQTDVZFE-UHFFFAOYSA-N 1 2 364.442 2.605 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)c(OC)c1 ZINC001141030850 1036775965 /nfs/dbraw/zinc/77/59/65/1036775965.db2.gz NPXGOUCXCUAXHL-UHFFFAOYSA-N 1 2 370.449 2.676 20 10 FFCDLO CCc1ccc(C[N@@H+]2C[C@]3(F)CN(CC=C(C)C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277826225 1036880450 /nfs/dbraw/zinc/88/04/50/1036880450.db2.gz KMAHRNAKTHONBG-VQTJNVASSA-N 1 2 364.436 2.995 20 10 FFCDLO CCc1ccc(C[N@H+]2C[C@]3(F)CN(CC=C(C)C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277826225 1036880475 /nfs/dbraw/zinc/88/04/75/1036880475.db2.gz KMAHRNAKTHONBG-VQTJNVASSA-N 1 2 364.436 2.995 20 10 FFCDLO COc1c(O[C@@H]2CC[N@H+](C)C2)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001234126268 1036931507 /nfs/dbraw/zinc/93/15/07/1036931507.db2.gz CSJSDTOIROQBSC-GFCCVEGCSA-N 1 2 367.401 2.568 20 10 FFCDLO COc1c(O[C@@H]2CC[N@@H+](C)C2)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001234126268 1036931521 /nfs/dbraw/zinc/93/15/21/1036931521.db2.gz CSJSDTOIROQBSC-GFCCVEGCSA-N 1 2 367.401 2.568 20 10 FFCDLO COc1ccc(C[N@@H+]2CCC[C@]23CCN(CC(F)F)C3=O)c(O)c1Cl ZINC001277834730 1036936457 /nfs/dbraw/zinc/93/64/57/1036936457.db2.gz UDOCSGMGKHVNBS-QGZVFWFLSA-N 1 2 374.815 2.886 20 10 FFCDLO COc1ccc(C[N@H+]2CCC[C@]23CCN(CC(F)F)C3=O)c(O)c1Cl ZINC001277834730 1036936468 /nfs/dbraw/zinc/93/64/68/1036936468.db2.gz UDOCSGMGKHVNBS-QGZVFWFLSA-N 1 2 374.815 2.886 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)CC[C@H]21 ZINC001235074082 1037343957 /nfs/dbraw/zinc/34/39/57/1037343957.db2.gz DTTUGOHLJVBAGM-QMTHXVAHSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)CC[C@H]21 ZINC001235074082 1037343966 /nfs/dbraw/zinc/34/39/66/1037343966.db2.gz DTTUGOHLJVBAGM-QMTHXVAHSA-N 1 2 371.250 2.737 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001235298727 1037460222 /nfs/dbraw/zinc/46/02/22/1037460222.db2.gz TUPDBYOTSJSSPV-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001235298727 1037460232 /nfs/dbraw/zinc/46/02/32/1037460232.db2.gz TUPDBYOTSJSSPV-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)Cc2ccsc2)CC1 ZINC001231854563 1037951419 /nfs/dbraw/zinc/95/14/19/1037951419.db2.gz FRVADXNRMRGYCR-UHFFFAOYSA-N 1 2 373.522 2.710 20 10 FFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001231909488 1038000643 /nfs/dbraw/zinc/00/06/43/1038000643.db2.gz AOEGUNFWALKUOA-LJQANCHMSA-N 1 2 374.872 2.565 20 10 FFCDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001231909488 1038000669 /nfs/dbraw/zinc/00/06/69/1038000669.db2.gz AOEGUNFWALKUOA-LJQANCHMSA-N 1 2 374.872 2.565 20 10 FFCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001231911479 1038006221 /nfs/dbraw/zinc/00/62/21/1038006221.db2.gz MGJQUGPXOVUSCI-RHSMWYFYSA-N 1 2 374.872 2.563 20 10 FFCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001231911479 1038006241 /nfs/dbraw/zinc/00/62/41/1038006241.db2.gz MGJQUGPXOVUSCI-RHSMWYFYSA-N 1 2 374.872 2.563 20 10 FFCDLO O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911486 1038008732 /nfs/dbraw/zinc/00/87/32/1038008732.db2.gz MGPUNEWOCMACKJ-UZLBHIALSA-N 1 2 371.868 2.969 20 10 FFCDLO O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911486 1038008738 /nfs/dbraw/zinc/00/87/38/1038008738.db2.gz MGPUNEWOCMACKJ-UZLBHIALSA-N 1 2 371.868 2.969 20 10 FFCDLO O=C(c1cccnc1)N1CCC2(C[NH+](Cc3cccc(Cl)c3O)C2)C1 ZINC001231912379 1038009309 /nfs/dbraw/zinc/00/93/09/1038009309.db2.gz ZTILMYLHZPCMEZ-UHFFFAOYSA-N 1 2 357.841 2.789 20 10 FFCDLO O=C([C@@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2)N1CCOCC1 ZINC001231911910 1038009394 /nfs/dbraw/zinc/00/93/94/1038009394.db2.gz SMRLZAXMCAXPBI-HNNXBMFYSA-N 1 2 364.873 2.507 20 10 FFCDLO CCOc1ccc(N2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)cc1 ZINC001277996966 1038188665 /nfs/dbraw/zinc/18/86/65/1038188665.db2.gz QOCBQWQKPOLSON-FQEVSTJZSA-N 1 2 354.454 2.553 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)cc1OC ZINC001236755618 1038242324 /nfs/dbraw/zinc/24/23/24/1038242324.db2.gz GPBNWTHBQJWOFV-UHFFFAOYSA-N 1 2 371.437 2.759 20 10 FFCDLO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c(O)c1Cl ZINC001236805379 1038279953 /nfs/dbraw/zinc/27/99/53/1038279953.db2.gz ZTHNUPQZCLJWDL-ZDUSSCGKSA-N 1 2 352.862 2.745 20 10 FFCDLO COc1ccc(C[NH+]2CCSCC2)c(O)c1I ZINC001248487600 1040298272 /nfs/dbraw/zinc/29/82/72/1040298272.db2.gz RSGVHRCSOMFOKY-UHFFFAOYSA-N 1 2 365.236 2.554 20 10 FFCDLO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001279333494 1043008073 /nfs/dbraw/zinc/00/80/73/1043008073.db2.gz DABYPOZGKQMLCN-UHFFFAOYSA-N 1 2 350.894 2.642 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3cc(O)cc(F)c3)CC2)cc1 ZINC001237282987 1043091825 /nfs/dbraw/zinc/09/18/25/1043091825.db2.gz IJKGQCLHQTZHHV-UHFFFAOYSA-N 1 2 360.429 2.879 20 10 FFCDLO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)cc(F)c4O)C[C@H]3O2)n1 ZINC001237618177 1043274657 /nfs/dbraw/zinc/27/46/57/1043274657.db2.gz GDFNDDSNJQOJHF-PSOPSSQASA-N 1 2 367.808 2.708 20 10 FFCDLO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)cc(F)c4O)C[C@H]3O2)n1 ZINC001237618177 1043274667 /nfs/dbraw/zinc/27/46/67/1043274667.db2.gz GDFNDDSNJQOJHF-PSOPSSQASA-N 1 2 367.808 2.708 20 10 FFCDLO O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3cc(Cl)cc(F)c3O)C[C@@H]2C1 ZINC001237620942 1043277795 /nfs/dbraw/zinc/27/77/95/1043277795.db2.gz ZIOFDMCAYMCTOV-CHWSQXEVSA-N 1 2 364.804 2.982 20 10 FFCDLO Cc1cc(C[N@H+](C)Cc2cccc(I)c2O)n(C)n1 ZINC001237776467 1043350936 /nfs/dbraw/zinc/35/09/36/1043350936.db2.gz AUANKTWLPLOOBK-UHFFFAOYSA-N 1 2 371.222 2.671 20 10 FFCDLO CC(=O)[C@H]1CCC[N@H+](Cc2cccc(I)c2O)C1 ZINC001237783847 1043354942 /nfs/dbraw/zinc/35/49/42/1043354942.db2.gz OYSQNAXDUZFUKT-NSHDSACASA-N 1 2 359.207 2.798 20 10 FFCDLO CC(=O)[C@H]1CCC[N@@H+](Cc2cccc(I)c2O)C1 ZINC001237783847 1043354955 /nfs/dbraw/zinc/35/49/55/1043354955.db2.gz OYSQNAXDUZFUKT-NSHDSACASA-N 1 2 359.207 2.798 20 10 FFCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001279685621 1043467025 /nfs/dbraw/zinc/46/70/25/1043467025.db2.gz ZJAVFVNSCARZRY-RYUDHWBXSA-N 1 2 355.841 2.809 20 10 FFCDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001279685621 1043467032 /nfs/dbraw/zinc/46/70/32/1043467032.db2.gz ZJAVFVNSCARZRY-RYUDHWBXSA-N 1 2 355.841 2.809 20 10 FFCDLO O=C([C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)Cc2ccnn21)N1CC=CC1 ZINC001279983940 1044035041 /nfs/dbraw/zinc/03/50/41/1044035041.db2.gz WJJBGCAVPKMUNK-KRWDZBQOSA-N 1 2 372.856 2.588 20 10 FFCDLO O=C([C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)Cc2ccnn21)N1CC=CC1 ZINC001279983940 1044035054 /nfs/dbraw/zinc/03/50/54/1044035054.db2.gz WJJBGCAVPKMUNK-KRWDZBQOSA-N 1 2 372.856 2.588 20 10 FFCDLO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2onc(C)c2C)c1 ZINC001279983713 1044035432 /nfs/dbraw/zinc/03/54/32/1044035432.db2.gz OSQFFZGNDMJDRB-KUHUBIRLSA-N 1 2 357.410 2.609 20 10 FFCDLO COc1ccc(O)c(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2onc(C)c2C)c1 ZINC001279983713 1044035443 /nfs/dbraw/zinc/03/54/43/1044035443.db2.gz OSQFFZGNDMJDRB-KUHUBIRLSA-N 1 2 357.410 2.609 20 10 FFCDLO CCOc1ccc2c(c1)C[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC001322773137 1046218263 /nfs/dbraw/zinc/21/82/63/1046218263.db2.gz PQGLIJLGLWAIAP-UHFFFAOYSA-N 1 2 367.493 2.826 20 10 FFCDLO CCOc1ccc2c(c1)C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC001322773137 1046218276 /nfs/dbraw/zinc/21/82/76/1046218276.db2.gz PQGLIJLGLWAIAP-UHFFFAOYSA-N 1 2 367.493 2.826 20 10 FFCDLO COc1cccc(OC)c1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327253649 1047257578 /nfs/dbraw/zinc/25/75/78/1047257578.db2.gz GQFMPNKEYIBFJN-UHFFFAOYSA-N 1 2 373.472 2.885 20 10 FFCDLO COc1cc(C)cc(C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)c1O ZINC001308703172 1052489240 /nfs/dbraw/zinc/48/92/40/1052489240.db2.gz AIHGLEKNOHOTGA-UHFFFAOYSA-N 1 2 360.401 2.959 20 10 FFCDLO COC(=O)NC1C[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001308809970 1052502635 /nfs/dbraw/zinc/50/26/35/1052502635.db2.gz QENPSRJBJCTZES-UHFFFAOYSA-N 1 2 351.450 2.790 20 10 FFCDLO CNc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc[nH+]1 ZINC001521342473 1060548183 /nfs/dbraw/zinc/54/81/83/1060548183.db2.gz IULZGYFSQRXRLA-QGZVFWFLSA-N 1 2 370.453 2.720 20 10 FFCDLO COC(=O)C[N@H+](CCCOCC(F)(F)F)Cc1cc(Cl)ccc1O ZINC001459688892 1060796174 /nfs/dbraw/zinc/79/61/74/1060796174.db2.gz VQRRZGFANRYLFA-UHFFFAOYSA-N 1 2 369.767 2.990 20 10 FFCDLO COC(=O)C[N@@H+](CCCOCC(F)(F)F)Cc1cc(Cl)ccc1O ZINC001459688892 1060796192 /nfs/dbraw/zinc/79/61/92/1060796192.db2.gz VQRRZGFANRYLFA-UHFFFAOYSA-N 1 2 369.767 2.990 20 10 FFCDLO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001470724341 1064428443 /nfs/dbraw/zinc/42/84/43/1064428443.db2.gz FJFIFSISJSYFGH-AWEZNQCLSA-N 1 2 370.430 2.805 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2nnnn2-c2ccccc2)c1 ZINC001473985884 1065433021 /nfs/dbraw/zinc/43/30/21/1065433021.db2.gz YIDQTJMSRIOJHP-UHFFFAOYSA-N 1 2 374.242 2.729 20 10 FFCDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(O)cc3O)cn2c1 ZINC001557084638 1075806191 /nfs/dbraw/zinc/80/61/91/1075806191.db2.gz ICZGWJJFYHCMPC-UHFFFAOYSA-N 1 2 357.435 2.604 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCCO1 ZINC001560874414 1076305217 /nfs/dbraw/zinc/30/52/17/1076305217.db2.gz YARAEWBKLUAQRH-ZDUSSCGKSA-N 1 2 372.412 2.786 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCCO1 ZINC001560874414 1076305219 /nfs/dbraw/zinc/30/52/19/1076305219.db2.gz YARAEWBKLUAQRH-ZDUSSCGKSA-N 1 2 372.412 2.786 20 10 FFCDLO COc1ccc(N2CCCN(C(=O)Nc3cc(C)[nH+]cc3C)CC2)cc1 ZINC000371318231 512326236 /nfs/dbraw/zinc/32/62/36/512326236.db2.gz VNKDWKRMXGPJSK-UHFFFAOYSA-N 1 2 354.454 2.873 20 10 FFCDLO CC(=O)Nc1nc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000070758385 507632195 /nfs/dbraw/zinc/63/21/95/507632195.db2.gz HOPUYLZIVKILGD-UHFFFAOYSA-N 1 2 360.483 2.570 20 10 FFCDLO CC(=O)Nc1nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000070758385 507632202 /nfs/dbraw/zinc/63/22/02/507632202.db2.gz HOPUYLZIVKILGD-UHFFFAOYSA-N 1 2 360.483 2.570 20 10 FFCDLO C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000152907896 508530243 /nfs/dbraw/zinc/53/02/43/508530243.db2.gz INCATAAIOQJJMR-KSSFIOAISA-N 1 2 359.449 2.881 20 10 FFCDLO CCc1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)o1 ZINC000155377379 508988274 /nfs/dbraw/zinc/98/82/74/508988274.db2.gz IOXKSVMKGTYXHU-NTCAYCPXSA-N 1 2 366.508 2.766 20 10 FFCDLO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000179748080 509603449 /nfs/dbraw/zinc/60/34/49/509603449.db2.gz WYJUNZYRXITBSB-UHFFFAOYSA-N 1 2 354.859 2.586 20 10 FFCDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186384016 509682562 /nfs/dbraw/zinc/68/25/62/509682562.db2.gz CGYHOCBUXFARRE-CYBMUJFWSA-N 1 2 353.422 2.757 20 10 FFCDLO COc1c(O)c(C[NH2+]Cc2csc([C@@H](C)OC)n2)ccc1[N+](=O)[O-] ZINC000278295099 510988359 /nfs/dbraw/zinc/98/83/59/510988359.db2.gz CACFDPXINCTUHK-SECBINFHSA-N 1 2 353.400 2.763 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)C(=O)CCc1[nH]cc[nH+]1 ZINC000279556237 511126565 /nfs/dbraw/zinc/12/65/65/511126565.db2.gz YBWPVNPURWXYFS-UHFFFAOYSA-N 1 2 352.232 2.859 20 10 FFCDLO Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(O)c1O ZINC000279579575 511134266 /nfs/dbraw/zinc/13/42/66/511134266.db2.gz SGQISTRQLCSDGS-UHFFFAOYSA-N 1 2 355.438 2.959 20 10 FFCDLO COc1ccc(N2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)cc1F ZINC000290703802 511148903 /nfs/dbraw/zinc/14/89/03/511148903.db2.gz NNIDBTOYIRIWRY-UHFFFAOYSA-N 1 2 369.400 2.836 20 10 FFCDLO CN(Cc1ccc(N2CCCCC2)cc1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302828352 511716974 /nfs/dbraw/zinc/71/69/74/511716974.db2.gz IQEZUNJNCFVSIE-UHFFFAOYSA-N 1 2 351.458 2.572 20 10 FFCDLO COc1ccc[nH+]c1N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000527994456 518032605 /nfs/dbraw/zinc/03/26/05/518032605.db2.gz RWGCHCIAZMRLHF-UHFFFAOYSA-N 1 2 363.417 2.913 20 10 FFCDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826511345 607520790 /nfs/dbraw/zinc/52/07/90/607520790.db2.gz LULDRSZKVSWQCO-UHFFFAOYSA-N 1 2 362.393 2.763 20 10 FFCDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826511345 607520792 /nfs/dbraw/zinc/52/07/92/607520792.db2.gz LULDRSZKVSWQCO-UHFFFAOYSA-N 1 2 362.393 2.763 20 10 FFCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(F)cc1 ZINC000111238370 728535417 /nfs/dbraw/zinc/53/54/17/728535417.db2.gz GTYBLFQAYYFRTP-QGZVFWFLSA-N 1 2 367.804 2.893 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(F)cc1 ZINC000111238370 728535419 /nfs/dbraw/zinc/53/54/19/728535419.db2.gz GTYBLFQAYYFRTP-QGZVFWFLSA-N 1 2 367.804 2.893 20 10 FFCDLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1C ZINC000179557934 729188783 /nfs/dbraw/zinc/18/87/83/729188783.db2.gz ZSDGOJSYJGVHLV-UHFFFAOYSA-N 1 2 360.479 2.516 20 10 FFCDLO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000382736686 729835184 /nfs/dbraw/zinc/83/51/84/729835184.db2.gz MZLCPRBBQVVJTC-CYBMUJFWSA-N 1 2 356.850 2.771 20 10 FFCDLO Cc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000876616318 732262063 /nfs/dbraw/zinc/26/20/63/732262063.db2.gz WDJSTWZSBSNCHI-UHFFFAOYSA-N 1 2 361.423 2.628 20 10 FFCDLO COc1ccc(C[N@H+](CCO)Cc2ccc(F)c(F)c2O)c(OC)c1 ZINC000876731533 732273517 /nfs/dbraw/zinc/27/35/17/732273517.db2.gz RYDWOPFVNDUZSU-UHFFFAOYSA-N 1 2 353.365 2.682 20 10 FFCDLO COc1ccc(C[N@@H+](CCO)Cc2ccc(F)c(F)c2O)c(OC)c1 ZINC000876731533 732273520 /nfs/dbraw/zinc/27/35/20/732273520.db2.gz RYDWOPFVNDUZSU-UHFFFAOYSA-N 1 2 353.365 2.682 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+](CCS(C)(=O)=O)C(C)C)c1 ZINC000781908635 738670562 /nfs/dbraw/zinc/67/05/62/738670562.db2.gz KQHSFCALUAOCTH-UHFFFAOYSA-N 1 2 364.305 2.718 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+](CCS(C)(=O)=O)C(C)C)c1 ZINC000781908635 738670564 /nfs/dbraw/zinc/67/05/64/738670564.db2.gz KQHSFCALUAOCTH-UHFFFAOYSA-N 1 2 364.305 2.718 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000882880732 733306740 /nfs/dbraw/zinc/30/67/40/733306740.db2.gz GKHZZMIJJARKEL-ZDUSSCGKSA-N 1 2 362.239 2.969 20 10 FFCDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1cccc(NS(C)(=O)=O)c1 ZINC000882936274 733312217 /nfs/dbraw/zinc/31/22/17/733312217.db2.gz QDNGZSAKAITMLR-JTQLQIEISA-N 1 2 356.394 2.893 20 10 FFCDLO CC(=O)N1CCC(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882987026 733318523 /nfs/dbraw/zinc/31/85/23/733318523.db2.gz QWCAKCOEUMCLCK-UHFFFAOYSA-N 1 2 359.239 2.642 20 10 FFCDLO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCOC1 ZINC000883164362 733345163 /nfs/dbraw/zinc/34/51/63/733345163.db2.gz CJQPTWPBYYMVEW-RNCFNFMXSA-N 1 2 364.667 2.949 20 10 FFCDLO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Br)cc(F)c1O ZINC000883374967 733376588 /nfs/dbraw/zinc/37/65/88/733376588.db2.gz YCQXYKKUJMSJAZ-HGNGGELXSA-N 1 2 366.252 2.520 20 10 FFCDLO Cc1nnc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000892620778 734581523 /nfs/dbraw/zinc/58/15/23/734581523.db2.gz CUZLPYKJOIWZSD-TXEJJXNPSA-N 1 2 350.463 2.889 20 10 FFCDLO NC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894077111 734797583 /nfs/dbraw/zinc/79/75/83/734797583.db2.gz WXUAKBNXLOKYLX-SECBINFHSA-N 1 2 361.667 2.896 20 10 FFCDLO NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894077111 734797586 /nfs/dbraw/zinc/79/75/86/734797586.db2.gz WXUAKBNXLOKYLX-SECBINFHSA-N 1 2 361.667 2.896 20 10 FFCDLO CC(C)[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@H]1CCC(=O)N1 ZINC000895014993 734952586 /nfs/dbraw/zinc/95/25/86/734952586.db2.gz QWYOVRYXZMTECU-GFCCVEGCSA-N 1 2 359.239 2.783 20 10 FFCDLO CC(C)[N@H+](Cc1cc(Br)cc(F)c1O)C[C@H]1CCC(=O)N1 ZINC000895014993 734952589 /nfs/dbraw/zinc/95/25/89/734952589.db2.gz QWYOVRYXZMTECU-GFCCVEGCSA-N 1 2 359.239 2.783 20 10 FFCDLO O=S(=O)(C1CC[NH+](Cc2cccc(Cl)c2O)CC1)N1CCCCC1 ZINC000897273403 735214113 /nfs/dbraw/zinc/21/41/13/735214113.db2.gz QHKVJZXTMXNNIG-UHFFFAOYSA-N 1 2 372.918 2.826 20 10 FFCDLO COCc1nc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000742367203 735234140 /nfs/dbraw/zinc/23/41/40/735234140.db2.gz KHMLQLOZUKUWRT-UHFFFAOYSA-N 1 2 351.447 2.555 20 10 FFCDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)cc(F)c1O ZINC000756391250 736327276 /nfs/dbraw/zinc/32/72/76/736327276.db2.gz LDLQHDIWEQPTBH-QMMMGPOBSA-N 1 2 355.211 2.682 20 10 FFCDLO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(Br)cc(F)c1O ZINC000756761759 736359591 /nfs/dbraw/zinc/35/95/91/736359591.db2.gz VCSHDKDPICMFNM-BHDSKKPTSA-N 1 2 361.255 2.664 20 10 FFCDLO CCOC(=O)C[N@H+](CCOC1CCSCC1)Cc1ccccc1O ZINC000930763450 739159121 /nfs/dbraw/zinc/15/91/21/739159121.db2.gz KJYQCEVQHRXUPJ-UHFFFAOYSA-N 1 2 353.484 2.670 20 10 FFCDLO CCOC(=O)C[N@@H+](CCOC1CCSCC1)Cc1ccccc1O ZINC000930763450 739159123 /nfs/dbraw/zinc/15/91/23/739159123.db2.gz KJYQCEVQHRXUPJ-UHFFFAOYSA-N 1 2 353.484 2.670 20 10 FFCDLO NC(=O)C[N@@H+]1CCc2ccc(NCc3cc(Cl)cc(F)c3O)cc2C1 ZINC000789771033 739386549 /nfs/dbraw/zinc/38/65/49/739386549.db2.gz ZVFREBKMPAYDNS-UHFFFAOYSA-N 1 2 363.820 2.640 20 10 FFCDLO NC(=O)C[N@H+]1CCc2ccc(NCc3cc(Cl)cc(F)c3O)cc2C1 ZINC000789771033 739386554 /nfs/dbraw/zinc/38/65/54/739386554.db2.gz ZVFREBKMPAYDNS-UHFFFAOYSA-N 1 2 363.820 2.640 20 10 FFCDLO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Cl)c1O ZINC000806166028 741044665 /nfs/dbraw/zinc/04/46/65/741044665.db2.gz OEYCIJAMIFCZNW-SWLSCSKDSA-N 1 2 360.907 2.900 20 10 FFCDLO CNC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000809721104 741336606 /nfs/dbraw/zinc/33/66/06/741336606.db2.gz SRAIOSALJMGTDB-UHFFFAOYSA-N 1 2 352.793 2.599 20 10 FFCDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)s1 ZINC000818358303 742266625 /nfs/dbraw/zinc/26/66/25/742266625.db2.gz TYLNEYSDMFZKIH-UWVGGRQHSA-N 1 2 364.423 2.834 20 10 FFCDLO COC[C@@](C)(O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000834845184 745913385 /nfs/dbraw/zinc/91/33/85/745913385.db2.gz XWIBZEFXOLAUBB-OTYXRUKQSA-N 1 2 350.228 2.732 20 10 FFCDLO CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000841895176 747483997 /nfs/dbraw/zinc/48/39/97/747483997.db2.gz WAGSRKPTFCUEET-UHFFFAOYSA-N 1 2 370.877 2.897 20 10 FFCDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841960621 747492972 /nfs/dbraw/zinc/49/29/72/747492972.db2.gz UOFAEHPLWZVTCG-OAHLLOKOSA-N 1 2 358.511 2.961 20 10 FFCDLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000842912359 747719076 /nfs/dbraw/zinc/71/90/76/747719076.db2.gz RNQYOAKYZZKTSO-NZXMKCKXSA-N 1 2 350.640 2.873 20 10 FFCDLO CCOc1ccc(C[NH2+][C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c(O)c1 ZINC000846107560 748408797 /nfs/dbraw/zinc/40/87/97/748408797.db2.gz JLUYQLLGAHXHNM-YEWWUXTCSA-N 1 2 351.443 2.627 20 10 FFCDLO CC(C)(C)N1C[C@H](C[NH2+]Cc2cccc(Br)c2O)CC1=O ZINC000850395629 749359042 /nfs/dbraw/zinc/35/90/42/749359042.db2.gz BKRATTCNPVHWKX-NSHDSACASA-N 1 2 355.276 2.891 20 10 FFCDLO COC[C@H](CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O)OC ZINC000850485639 749372401 /nfs/dbraw/zinc/37/24/01/749372401.db2.gz MFHNZLGRYBWHFF-ZJUUUORDSA-N 1 2 350.228 2.996 20 10 FFCDLO C[NH2+]C[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000853249326 750037910 /nfs/dbraw/zinc/03/79/10/750037910.db2.gz PNGPIROLVHPRKH-ZETCQYMHSA-N 1 2 352.070 2.615 20 10 FFCDLO Cc1cc(C(=O)CN2CC[NH+](CCO)CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000070739298 959086495 /nfs/dbraw/zinc/08/64/95/959086495.db2.gz NSRYPZFTCZFYFV-UHFFFAOYSA-N 1 2 369.509 2.504 20 10 FFCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000188810522 964006527 /nfs/dbraw/zinc/00/65/27/964006527.db2.gz IHYFMDKDDLRXJT-LJQANCHMSA-N 1 2 356.470 2.616 20 10 FFCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000188810522 964006539 /nfs/dbraw/zinc/00/65/39/964006539.db2.gz IHYFMDKDDLRXJT-LJQANCHMSA-N 1 2 356.470 2.616 20 10 FFCDLO COC(=O)c1ccc(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)o1 ZINC000894770746 965673089 /nfs/dbraw/zinc/67/30/89/965673089.db2.gz QCYXGAAOZDMHQM-UHFFFAOYSA-N 1 2 374.368 2.773 20 10 FFCDLO CC(C)C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)n1cc[nH+]c1 ZINC000873861334 1013665768 /nfs/dbraw/zinc/66/57/68/1013665768.db2.gz ASJAEBJPYQCKBS-FQEVSTJZSA-N 1 2 370.497 2.966 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCN(c3cnccn3)[C@H](C)C2)c1O ZINC001177015904 1013829082 /nfs/dbraw/zinc/82/90/82/1013829082.db2.gz SEXXGGWDYUUIED-GFCCVEGCSA-N 1 2 360.845 2.749 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCN(c3cnccn3)[C@H](C)C2)c1O ZINC001177015904 1013829093 /nfs/dbraw/zinc/82/90/93/1013829093.db2.gz SEXXGGWDYUUIED-GFCCVEGCSA-N 1 2 360.845 2.749 20 10 FFCDLO Oc1ccc(C[C@H](O)c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1O ZINC001211665891 974069226 /nfs/dbraw/zinc/06/92/26/974069226.db2.gz ZKHFORDLWPAUBU-KRWDZBQOSA-N 1 2 364.361 2.610 20 10 FFCDLO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)[nH]c(=O)c1 ZINC001271796493 974341880 /nfs/dbraw/zinc/34/18/80/974341880.db2.gz HTWAXCSUAGFMSA-XIRDDKMYSA-N 1 2 361.486 2.998 20 10 FFCDLO CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)[nH]c(=O)c1 ZINC001271796493 974341887 /nfs/dbraw/zinc/34/18/87/974341887.db2.gz HTWAXCSUAGFMSA-XIRDDKMYSA-N 1 2 361.486 2.998 20 10 FFCDLO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(O)[nH]c(=O)c3)[C@@H]2C1 ZINC001271796122 974341937 /nfs/dbraw/zinc/34/19/37/974341937.db2.gz DOMWCVJWEGSSDZ-YQQAZPJKSA-N 1 2 361.486 2.856 20 10 FFCDLO CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(O)[nH]c(=O)c3)[C@@H]2C1 ZINC001271796122 974341943 /nfs/dbraw/zinc/34/19/43/974341943.db2.gz DOMWCVJWEGSSDZ-YQQAZPJKSA-N 1 2 361.486 2.856 20 10 FFCDLO COc1ccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c(O)c1OC ZINC000893985709 977629825 /nfs/dbraw/zinc/62/98/25/977629825.db2.gz LEYBKIBBCDRWBA-KRWDZBQOSA-N 1 2 359.422 2.689 20 10 FFCDLO COc1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c(O)c1OC ZINC000893985709 977629834 /nfs/dbraw/zinc/62/98/34/977629834.db2.gz LEYBKIBBCDRWBA-KRWDZBQOSA-N 1 2 359.422 2.689 20 10 FFCDLO COCC[NH+]1CCN(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000171052262 985210018 /nfs/dbraw/zinc/21/00/18/985210018.db2.gz DKXWLTUYGKSFQY-UHFFFAOYSA-N 1 2 369.509 2.849 20 10 FFCDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179926832 991380625 /nfs/dbraw/zinc/38/06/25/991380625.db2.gz KRMVBAQHYUIWHG-UHFFFAOYSA-N 1 2 358.413 2.888 20 10 FFCDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000812786972 995534378 /nfs/dbraw/zinc/53/43/78/995534378.db2.gz XBLUQLXIODJTOH-QGZVFWFLSA-N 1 2 363.458 2.822 20 10 FFCDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000812786972 995534383 /nfs/dbraw/zinc/53/43/83/995534383.db2.gz XBLUQLXIODJTOH-QGZVFWFLSA-N 1 2 363.458 2.822 20 10 FFCDLO CC(C)C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)n1cc[nH+]c1 ZINC000824711892 997066670 /nfs/dbraw/zinc/06/66/70/997066670.db2.gz KLGBOECKWKSXBB-HXUWFJFHSA-N 1 2 370.497 2.748 20 10 FFCDLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Br)c(F)cc3O)C[C@@H]21 ZINC001144308360 998305698 /nfs/dbraw/zinc/30/56/98/998305698.db2.gz WSLTYVDIEYPPAU-MSRIBSCDSA-N 1 2 358.207 2.535 20 10 FFCDLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Br)c(F)cc3O)C[C@@H]21 ZINC001144308360 998305705 /nfs/dbraw/zinc/30/57/05/998305705.db2.gz WSLTYVDIEYPPAU-MSRIBSCDSA-N 1 2 358.207 2.535 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](OCCO)C2)c(C)n1-c1ccccc1 ZINC000734485240 999296226 /nfs/dbraw/zinc/29/62/26/999296226.db2.gz DWOULTJBYAVBHP-IBGZPJMESA-N 1 2 356.466 2.750 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](OCCO)C2)c(C)n1-c1ccccc1 ZINC000734485240 999296229 /nfs/dbraw/zinc/29/62/29/999296229.db2.gz DWOULTJBYAVBHP-IBGZPJMESA-N 1 2 356.466 2.750 20 10 FFCDLO CCCCNc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(N)[nH+]1 ZINC000804321483 1000047842 /nfs/dbraw/zinc/04/78/42/1000047842.db2.gz WFBDZRIOFNOUNT-UHFFFAOYSA-N 1 2 356.474 2.606 20 10 FFCDLO CCCCNc1cc(N2CCN(c3ccc(OC)cc3)CC2)[nH+]c(N)n1 ZINC000804321483 1000047843 /nfs/dbraw/zinc/04/78/43/1000047843.db2.gz WFBDZRIOFNOUNT-UHFFFAOYSA-N 1 2 356.474 2.606 20 10 FFCDLO C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767900 1003484463 /nfs/dbraw/zinc/48/44/63/1003484463.db2.gz OZPRNQRVOYMUOB-JOCHJYFZSA-N 1 2 366.461 2.856 20 10 FFCDLO C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767900 1003484467 /nfs/dbraw/zinc/48/44/67/1003484467.db2.gz OZPRNQRVOYMUOB-JOCHJYFZSA-N 1 2 366.461 2.856 20 10 FFCDLO C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767900 1003484474 /nfs/dbraw/zinc/48/44/74/1003484474.db2.gz OZPRNQRVOYMUOB-JOCHJYFZSA-N 1 2 366.461 2.856 20 10 FFCDLO C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767900 1003484476 /nfs/dbraw/zinc/48/44/76/1003484476.db2.gz OZPRNQRVOYMUOB-JOCHJYFZSA-N 1 2 366.461 2.856 20 10 FFCDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000851732760 1005909625 /nfs/dbraw/zinc/90/96/25/1005909625.db2.gz CDDCTMIYHOJWCL-UHFFFAOYSA-N 1 2 372.469 2.616 20 10 FFCDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000851732760 1005909628 /nfs/dbraw/zinc/90/96/28/1005909628.db2.gz CDDCTMIYHOJWCL-UHFFFAOYSA-N 1 2 372.469 2.616 20 10 FFCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000819760914 1008232238 /nfs/dbraw/zinc/23/22/38/1008232238.db2.gz JMDGJLIAGLMDKK-OAHLLOKOSA-N 1 2 359.466 2.941 20 10 FFCDLO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000819760914 1008232245 /nfs/dbraw/zinc/23/22/45/1008232245.db2.gz JMDGJLIAGLMDKK-OAHLLOKOSA-N 1 2 359.466 2.941 20 10 FFCDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391751 1008451737 /nfs/dbraw/zinc/45/17/37/1008451737.db2.gz QYJTZUVLZIFDRL-INIZCTEOSA-N 1 2 373.453 2.782 20 10 FFCDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391751 1008451738 /nfs/dbraw/zinc/45/17/38/1008451738.db2.gz QYJTZUVLZIFDRL-INIZCTEOSA-N 1 2 373.453 2.782 20 10 FFCDLO CC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000773786008 1009202946 /nfs/dbraw/zinc/20/29/46/1009202946.db2.gz GFUDCEMJNMJMKF-VQTJNVASSA-N 1 2 359.514 2.792 20 10 FFCDLO CC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000773786008 1009202960 /nfs/dbraw/zinc/20/29/60/1009202960.db2.gz GFUDCEMJNMJMKF-VQTJNVASSA-N 1 2 359.514 2.792 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708242 1011985454 /nfs/dbraw/zinc/98/54/54/1011985454.db2.gz VGMMTCZHACFDDY-CVEARBPZSA-N 1 2 361.825 2.592 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173037278 1012201832 /nfs/dbraw/zinc/20/18/32/1012201832.db2.gz IVAOWAZBLIQASH-INIZCTEOSA-N 1 2 363.454 2.511 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(F)C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@]2(F)C1=O ZINC001275771156 1012986874 /nfs/dbraw/zinc/98/68/74/1012986874.db2.gz KWDBKAHTEHAVCG-MDASCCDHSA-N 1 2 352.425 2.882 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(F)C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@]2(F)C1=O ZINC001275771156 1012986890 /nfs/dbraw/zinc/98/68/90/1012986890.db2.gz KWDBKAHTEHAVCG-MDASCCDHSA-N 1 2 352.425 2.882 20 10 FFCDLO Oc1cc2c(cc1CN1CC[NH+](C/C=C/c3ccccc3)CC1)OCO2 ZINC000042909842 1022201095 /nfs/dbraw/zinc/20/10/95/1022201095.db2.gz BXODAPZCSQAWNZ-QPJJXVBHSA-N 1 2 352.434 2.952 20 10 FFCDLO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141367594 1026043296 /nfs/dbraw/zinc/04/32/96/1026043296.db2.gz HHEUUWHJOWESQS-AWEZNQCLSA-N 1 2 359.651 2.520 20 10 FFCDLO O=C1NCC[C@@]12CC[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141367594 1026043314 /nfs/dbraw/zinc/04/33/14/1026043314.db2.gz HHEUUWHJOWESQS-AWEZNQCLSA-N 1 2 359.651 2.520 20 10 FFCDLO Cn1c[nH+]c(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000838743586 1026489505 /nfs/dbraw/zinc/48/95/05/1026489505.db2.gz VBFPWGOOWDOHBP-UHFFFAOYSA-N 1 2 354.410 2.673 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000840351452 1027056919 /nfs/dbraw/zinc/05/69/19/1027056919.db2.gz MJLDGTIKLYKINS-WBVHZDCISA-N 1 2 355.486 2.503 20 10 FFCDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)o1 ZINC000091923649 1027134094 /nfs/dbraw/zinc/13/40/94/1027134094.db2.gz PLKVYXLHDLTXTO-UHFFFAOYSA-N 1 2 362.401 2.926 20 10 FFCDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000782523897 1029731126 /nfs/dbraw/zinc/73/11/26/1029731126.db2.gz HGQYTDWXPBMSHH-QGZVFWFLSA-N 1 2 367.493 2.994 20 10 FFCDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000782523897 1029731132 /nfs/dbraw/zinc/73/11/32/1029731132.db2.gz HGQYTDWXPBMSHH-QGZVFWFLSA-N 1 2 367.493 2.994 20 10 FFCDLO CCOc1ccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)c2C)cc1 ZINC000782622401 1029765346 /nfs/dbraw/zinc/76/53/46/1029765346.db2.gz UNHXCYVJGOZJFG-VGSWGCGISA-N 1 2 368.477 2.990 20 10 FFCDLO CCOc1ccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@H]4C[C@@]4(CO)C3)c2C)cc1 ZINC000782622401 1029765354 /nfs/dbraw/zinc/76/53/54/1029765354.db2.gz UNHXCYVJGOZJFG-VGSWGCGISA-N 1 2 368.477 2.990 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cc1O ZINC001203879730 1030956480 /nfs/dbraw/zinc/95/64/80/1030956480.db2.gz ZIJFPUPMOCQIEV-WAOWUJCRSA-N 1 2 370.449 2.689 20 10 FFCDLO Oc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cc1O ZINC001203879730 1030956493 /nfs/dbraw/zinc/95/64/93/1030956493.db2.gz ZIJFPUPMOCQIEV-WAOWUJCRSA-N 1 2 370.449 2.689 20 10 FFCDLO COC(=O)c1ccc(C[NH+]2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC001203934343 1030993170 /nfs/dbraw/zinc/99/31/70/1030993170.db2.gz QXCHFPWNJKMFID-UHFFFAOYSA-N 1 2 367.493 2.857 20 10 FFCDLO CCOc1cccc(N2CC[NH+](Cc3cc(O)c(O)c(OC)c3)CC2)c1 ZINC001204345072 1031240166 /nfs/dbraw/zinc/24/01/66/1031240166.db2.gz GSMHARVEYDKMEW-UHFFFAOYSA-N 1 2 358.438 2.827 20 10 FFCDLO COc1cc(C[NH+]2CCN(c3noc4ccccc43)CC2)cc(O)c1O ZINC001204343449 1031241321 /nfs/dbraw/zinc/24/13/21/1031241321.db2.gz QSORTUPSTKBTPT-UHFFFAOYSA-N 1 2 355.394 2.570 20 10 FFCDLO COc1cc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)cc(O)c1O ZINC001204347520 1031243128 /nfs/dbraw/zinc/24/31/28/1031243128.db2.gz VNDDQMFGHNCWOZ-KBPBESRZSA-N 1 2 364.442 2.548 20 10 FFCDLO COc1cc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)cc(O)c1O ZINC001204347520 1031243143 /nfs/dbraw/zinc/24/31/43/1031243143.db2.gz VNDDQMFGHNCWOZ-KBPBESRZSA-N 1 2 364.442 2.548 20 10 FFCDLO CCCCNc1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc(N)[nH+]1 ZINC000798217439 1031340189 /nfs/dbraw/zinc/34/01/89/1031340189.db2.gz RPDHSBOWHLALFS-UHFFFAOYSA-N 1 2 374.464 2.859 20 10 FFCDLO CCCCNc1cc(NCc2ccc(N3CCOCC3)c(F)c2)[nH+]c(N)n1 ZINC000798217439 1031340204 /nfs/dbraw/zinc/34/02/04/1031340204.db2.gz RPDHSBOWHLALFS-UHFFFAOYSA-N 1 2 374.464 2.859 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCCn2nnc(COc3cccnc3)c2C1 ZINC001138123770 1033801635 /nfs/dbraw/zinc/80/16/35/1033801635.db2.gz LBSGQNZRTQUKAS-UHFFFAOYSA-N 1 2 369.400 2.503 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCCn2nnc(COc3cccnc3)c2C1 ZINC001138123770 1033801647 /nfs/dbraw/zinc/80/16/47/1033801647.db2.gz LBSGQNZRTQUKAS-UHFFFAOYSA-N 1 2 369.400 2.503 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968050 1033866441 /nfs/dbraw/zinc/86/64/41/1033866441.db2.gz XKHPPFVJJGVXTR-XIKOKIGWSA-N 1 2 370.852 2.787 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)Cc2nnn(CC)c21 ZINC001138354892 1034190237 /nfs/dbraw/zinc/19/02/37/1034190237.db2.gz BSSMQGSWWBNXRG-GOSISDBHSA-N 1 2 369.513 2.816 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)Cc2nnn(CC)c21 ZINC001138354892 1034190243 /nfs/dbraw/zinc/19/02/43/1034190243.db2.gz BSSMQGSWWBNXRG-GOSISDBHSA-N 1 2 369.513 2.816 20 10 FFCDLO CN1CCCc2cc(C[NH+]3CCN(C(=O)c4ccc(O)cc4)CC3)ccc21 ZINC001138358984 1034194858 /nfs/dbraw/zinc/19/48/58/1034194858.db2.gz GCKMTRIHLPJHGI-UHFFFAOYSA-N 1 2 365.477 2.733 20 10 FFCDLO CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001226735379 1034814274 /nfs/dbraw/zinc/81/42/74/1034814274.db2.gz XHMLPGUSPNNYOZ-QGZVFWFLSA-N 1 2 353.470 2.640 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(Cc2ccncc2)CC1 ZINC001139129404 1034958416 /nfs/dbraw/zinc/95/84/16/1034958416.db2.gz YLJXYJJMWLELAD-UHFFFAOYSA-N 1 2 365.433 2.520 20 10 FFCDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)nc1 ZINC001139496477 1035136371 /nfs/dbraw/zinc/13/63/71/1035136371.db2.gz VXRVDDMUKGOLPT-UHFFFAOYSA-N 1 2 355.438 2.507 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)ccc1O ZINC001140062903 1035327667 /nfs/dbraw/zinc/32/76/67/1035327667.db2.gz HWFWJJVMWFICAJ-RDJZCZTQSA-N 1 2 366.433 2.742 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)ccc1O ZINC001140062903 1035327671 /nfs/dbraw/zinc/32/76/71/1035327671.db2.gz HWFWJJVMWFICAJ-RDJZCZTQSA-N 1 2 366.433 2.742 20 10 FFCDLO CCOCc1nnn2c1C[N@H+](Cc1cc(Cl)c(OC)cc1O)CCC2 ZINC001232265378 1035536182 /nfs/dbraw/zinc/53/61/82/1035536182.db2.gz KATWTGYMJLRXFA-UHFFFAOYSA-N 1 2 366.849 2.588 20 10 FFCDLO CCOCc1nnn2c1C[N@@H+](Cc1cc(Cl)c(OC)cc1O)CCC2 ZINC001232265378 1035536188 /nfs/dbraw/zinc/53/61/88/1035536188.db2.gz KATWTGYMJLRXFA-UHFFFAOYSA-N 1 2 366.849 2.588 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CCC[N@H+](CC)C2)c1O ZINC001227495805 1035583923 /nfs/dbraw/zinc/58/39/23/1035583923.db2.gz WZXOMTQEKCQAFH-NSHDSACASA-N 1 2 371.455 2.670 20 10 FFCDLO CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CCC[N@@H+](CC)C2)c1O ZINC001227495805 1035583930 /nfs/dbraw/zinc/58/39/30/1035583930.db2.gz WZXOMTQEKCQAFH-NSHDSACASA-N 1 2 371.455 2.670 20 10 FFCDLO O=C(NC1CC[NH+](Cc2c(O)cc(F)cc2F)CC1)N1CCCCC1 ZINC001140585310 1035670786 /nfs/dbraw/zinc/67/07/86/1035670786.db2.gz DWRZKUAXYHHWJT-UHFFFAOYSA-N 1 2 353.413 2.830 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232678 1035682298 /nfs/dbraw/zinc/68/22/98/1035682298.db2.gz WXOGCUIWNBYXIU-IFXJQAMLSA-N 1 2 366.889 2.895 20 10 FFCDLO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001277232678 1035682306 /nfs/dbraw/zinc/68/23/06/1035682306.db2.gz WXOGCUIWNBYXIU-IFXJQAMLSA-N 1 2 366.889 2.895 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277232579 1035682363 /nfs/dbraw/zinc/68/23/63/1035682363.db2.gz URTREGWOAZVURX-YJYMSZOUSA-N 1 2 364.873 2.980 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277232579 1035682371 /nfs/dbraw/zinc/68/23/71/1035682371.db2.gz URTREGWOAZVURX-YJYMSZOUSA-N 1 2 364.873 2.980 20 10 FFCDLO COc1nccc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001140694170 1035926385 /nfs/dbraw/zinc/92/63/85/1035926385.db2.gz YHIHARIEYVYKNH-UHFFFAOYSA-N 1 2 368.359 2.706 20 10 FFCDLO CC(C)[N@@H+]1CC[C@@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)C1 ZINC001228520097 1036157700 /nfs/dbraw/zinc/15/77/00/1036157700.db2.gz VKQHKPWXRZLSTP-CQSZACIVSA-N 1 2 373.405 2.602 20 10 FFCDLO CC(C)[N@H+]1CC[C@@H](Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)C1 ZINC001228520097 1036157708 /nfs/dbraw/zinc/15/77/08/1036157708.db2.gz VKQHKPWXRZLSTP-CQSZACIVSA-N 1 2 373.405 2.602 20 10 FFCDLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010783 1036241365 /nfs/dbraw/zinc/24/13/65/1036241365.db2.gz UFHHPTAIUOXLFL-GOSISDBHSA-N 1 2 352.431 2.683 20 10 FFCDLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010783 1036241381 /nfs/dbraw/zinc/24/13/81/1036241381.db2.gz UFHHPTAIUOXLFL-GOSISDBHSA-N 1 2 352.431 2.683 20 10 FFCDLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014721 1036249821 /nfs/dbraw/zinc/24/98/21/1036249821.db2.gz BVAINFHLFWVYDN-YPMHNXCESA-N 1 2 352.431 2.681 20 10 FFCDLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014721 1036249839 /nfs/dbraw/zinc/24/98/39/1036249839.db2.gz BVAINFHLFWVYDN-YPMHNXCESA-N 1 2 352.431 2.681 20 10 FFCDLO OC[C@@]1(F)CCC[N@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233028502 1036266486 /nfs/dbraw/zinc/26/64/86/1036266486.db2.gz PEXMQHSMBFOKCY-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO OC[C@@]1(F)CCC[N@@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233028502 1036266495 /nfs/dbraw/zinc/26/64/95/1036266495.db2.gz PEXMQHSMBFOKCY-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[NH+]1CCC(n2cnnc2)CC1 ZINC001233030513 1036272152 /nfs/dbraw/zinc/27/21/52/1036272152.db2.gz WIFNICNKFQKBEU-UHFFFAOYSA-N 1 2 355.211 2.722 20 10 FFCDLO CCOC(=O)c1c(CN2CCc3c([nH+]cn3C)C2)c2ccccc2n1C ZINC001233273281 1036479360 /nfs/dbraw/zinc/47/93/60/1036479360.db2.gz VZQOYRUNTFJOBW-UHFFFAOYSA-N 1 2 352.438 2.647 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)Cc2nnn(C)c21 ZINC001233453415 1036633917 /nfs/dbraw/zinc/63/39/17/1036633917.db2.gz GMPFKTUQTQPGCA-LBPRGKRZSA-N 1 2 370.375 2.675 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)Cc2nnn(C)c21 ZINC001233453415 1036633924 /nfs/dbraw/zinc/63/39/24/1036633924.db2.gz GMPFKTUQTQPGCA-LBPRGKRZSA-N 1 2 370.375 2.675 20 10 FFCDLO COC(=O)c1cccc2c1C[N@H+](Cc1c(O)cc(OC)cc1OC)CC2 ZINC001141030525 1036777116 /nfs/dbraw/zinc/77/71/16/1036777116.db2.gz AIANUNPOZACIRV-UHFFFAOYSA-N 1 2 357.406 2.754 20 10 FFCDLO COC(=O)c1cccc2c1C[N@@H+](Cc1c(O)cc(OC)cc1OC)CC2 ZINC001141030525 1036777136 /nfs/dbraw/zinc/77/71/36/1036777136.db2.gz AIANUNPOZACIRV-UHFFFAOYSA-N 1 2 357.406 2.754 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235069992 1037339295 /nfs/dbraw/zinc/33/92/95/1037339295.db2.gz ZGTHSJAIZQEIHQ-KOLCDFICSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235069992 1037339311 /nfs/dbraw/zinc/33/93/11/1037339311.db2.gz ZGTHSJAIZQEIHQ-KOLCDFICSA-N 1 2 360.223 2.925 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001235295716 1037457532 /nfs/dbraw/zinc/45/75/32/1037457532.db2.gz FEBFCMXOJOEKQS-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001235295716 1037457537 /nfs/dbraw/zinc/45/75/37/1037457537.db2.gz FEBFCMXOJOEKQS-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO CC(=O)Nc1ccc(O[C@H]2CC[N@@H+](C)C2)c2c1C(=O)c1ccccc1C2=O ZINC001231185861 1037494967 /nfs/dbraw/zinc/49/49/67/1037494967.db2.gz WTUPVYHESRFUIJ-ZDUSSCGKSA-N 1 2 364.401 2.503 20 10 FFCDLO CC(=O)Nc1ccc(O[C@H]2CC[N@H+](C)C2)c2c1C(=O)c1ccccc1C2=O ZINC001231185861 1037494978 /nfs/dbraw/zinc/49/49/78/1037494978.db2.gz WTUPVYHESRFUIJ-ZDUSSCGKSA-N 1 2 364.401 2.503 20 10 FFCDLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)c(O)cc1O ZINC001231634100 1037754319 /nfs/dbraw/zinc/75/43/19/1037754319.db2.gz IEJONEAKVAHSIH-CHWSQXEVSA-N 1 2 370.421 2.544 20 10 FFCDLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)c(O)cc1O ZINC001231634100 1037754338 /nfs/dbraw/zinc/75/43/38/1037754338.db2.gz IEJONEAKVAHSIH-CHWSQXEVSA-N 1 2 370.421 2.544 20 10 FFCDLO CC[N@H+](Cc1cccc(I)c1[O-])[C@H]1CCC[NH2+]C1 ZINC001236010437 1037887195 /nfs/dbraw/zinc/88/71/95/1037887195.db2.gz RSFHNZXWWIVHCZ-LBPRGKRZSA-N 1 2 360.239 2.571 20 10 FFCDLO CC[N@@H+](Cc1cccc(I)c1[O-])[C@H]1CCC[NH2+]C1 ZINC001236010437 1037887212 /nfs/dbraw/zinc/88/72/12/1037887212.db2.gz RSFHNZXWWIVHCZ-LBPRGKRZSA-N 1 2 360.239 2.571 20 10 FFCDLO CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]21 ZINC001231909549 1038003922 /nfs/dbraw/zinc/00/39/22/1038003922.db2.gz CNESSMJWZOAIFU-OAGGEKHMSA-N 1 2 366.889 2.655 20 10 FFCDLO CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]21 ZINC001231909549 1038003944 /nfs/dbraw/zinc/00/39/44/1038003944.db2.gz CNESSMJWZOAIFU-OAGGEKHMSA-N 1 2 366.889 2.655 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231909815 1038004174 /nfs/dbraw/zinc/00/41/74/1038004174.db2.gz QCCGGTCUHNXZJD-QWHCGFSZSA-N 1 2 356.850 2.506 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231909815 1038004198 /nfs/dbraw/zinc/00/41/98/1038004198.db2.gz QCCGGTCUHNXZJD-QWHCGFSZSA-N 1 2 356.850 2.506 20 10 FFCDLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(Cl)c1O ZINC001231911073 1038007504 /nfs/dbraw/zinc/00/75/04/1038007504.db2.gz APEQDXMINSPKJG-CABCVRRESA-N 1 2 363.870 2.991 20 10 FFCDLO CS(=O)(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911834 1038008436 /nfs/dbraw/zinc/00/84/36/1038008436.db2.gz QVKAUCLMAULZOD-QGZVFWFLSA-N 1 2 372.918 2.826 20 10 FFCDLO CCc1ccc(C[N@@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001236791763 1038273415 /nfs/dbraw/zinc/27/34/15/1038273415.db2.gz KFQXEGLQEQNRKJ-INIZCTEOSA-N 1 2 350.459 2.680 20 10 FFCDLO CCc1ccc(C[N@H+]2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001236791763 1038273424 /nfs/dbraw/zinc/27/34/24/1038273424.db2.gz KFQXEGLQEQNRKJ-INIZCTEOSA-N 1 2 350.459 2.680 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cc(OC)cc2Cl)Cc2c1cnn2C ZINC001236794507 1038275464 /nfs/dbraw/zinc/27/54/64/1038275464.db2.gz AILOPVGSJKDCJQ-LBPRGKRZSA-N 1 2 365.861 2.924 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cc(OC)cc2Cl)Cc2c1cnn2C ZINC001236794507 1038275475 /nfs/dbraw/zinc/27/54/75/1038275475.db2.gz AILOPVGSJKDCJQ-LBPRGKRZSA-N 1 2 365.861 2.924 20 10 FFCDLO CN(C)c1ccc(CN2C[C@@]3(F)C[N@H+](CCCCF)C[C@@]3(F)C2=O)cc1 ZINC001276667937 1039187190 /nfs/dbraw/zinc/18/71/90/1039187190.db2.gz NMMCIJLNGGBEJH-RBUKOAKNSA-N 1 2 369.431 2.577 20 10 FFCDLO CN(C)c1ccc(CN2C[C@@]3(F)C[N@@H+](CCCCF)C[C@@]3(F)C2=O)cc1 ZINC001276667937 1039187195 /nfs/dbraw/zinc/18/71/95/1039187195.db2.gz NMMCIJLNGGBEJH-RBUKOAKNSA-N 1 2 369.431 2.577 20 10 FFCDLO Cc1cc(C[N@@H+]2CCC3(CN(Cc4c(O)cccc4Cl)C3)C2)n(C)n1 ZINC001278490499 1039849034 /nfs/dbraw/zinc/84/90/34/1039849034.db2.gz HKECWDLVLNRSKO-UHFFFAOYSA-N 1 2 360.889 2.795 20 10 FFCDLO Cc1cc(C[N@H+]2CCC3(CN(Cc4c(O)cccc4Cl)C3)C2)n(C)n1 ZINC001278490499 1039849052 /nfs/dbraw/zinc/84/90/52/1039849052.db2.gz HKECWDLVLNRSKO-UHFFFAOYSA-N 1 2 360.889 2.795 20 10 FFCDLO Cc1cc(CN2CCC3(C[NH+](Cc4c(O)cccc4Cl)C3)C2)n(C)n1 ZINC001278490499 1039849071 /nfs/dbraw/zinc/84/90/71/1039849071.db2.gz HKECWDLVLNRSKO-UHFFFAOYSA-N 1 2 360.889 2.795 20 10 FFCDLO COC1(CC(=O)N2CCC23C[NH+](Cc2c(O)cccc2Cl)C3)CCC1 ZINC001278490689 1039869616 /nfs/dbraw/zinc/86/96/16/1039869616.db2.gz JWYXYJOPSCUKGV-UHFFFAOYSA-N 1 2 364.873 2.792 20 10 FFCDLO COc1ccc(C[NH+]2CCC(F)CC2)c(O)c1I ZINC001248481736 1040297126 /nfs/dbraw/zinc/29/71/26/1040297126.db2.gz DISJOYILPLGITN-UHFFFAOYSA-N 1 2 365.186 2.939 20 10 FFCDLO COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001249217029 1040631357 /nfs/dbraw/zinc/63/13/57/1040631357.db2.gz LDUDEMLEOALUSJ-SFHVURJKSA-N 1 2 359.397 2.820 20 10 FFCDLO COC(=O)Cc1ccc(C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001249217029 1040631367 /nfs/dbraw/zinc/63/13/67/1040631367.db2.gz LDUDEMLEOALUSJ-SFHVURJKSA-N 1 2 359.397 2.820 20 10 FFCDLO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1O ZINC001278558629 1041154110 /nfs/dbraw/zinc/15/41/10/1041154110.db2.gz KQQVHYVWGRRYOX-IYBDPMFKSA-N 1 2 358.829 2.931 20 10 FFCDLO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1O ZINC001278558629 1041154114 /nfs/dbraw/zinc/15/41/14/1041154114.db2.gz KQQVHYVWGRRYOX-IYBDPMFKSA-N 1 2 358.829 2.931 20 10 FFCDLO Cc1cc(O)c(C[N@H+]2C[C@H]3CN(Cc4ccc[nH]4)C[C@@H](C2)O3)cc1Cl ZINC001279432712 1043106471 /nfs/dbraw/zinc/10/64/71/1043106471.db2.gz IGIASPONGLSOJK-CALCHBBNSA-N 1 2 361.873 2.767 20 10 FFCDLO Cc1cc(O)c(C[N@@H+]2C[C@H]3CN(Cc4ccc[nH]4)C[C@@H](C2)O3)cc1Cl ZINC001279432712 1043106478 /nfs/dbraw/zinc/10/64/78/1043106478.db2.gz IGIASPONGLSOJK-CALCHBBNSA-N 1 2 361.873 2.767 20 10 FFCDLO COCCN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001237619466 1043274944 /nfs/dbraw/zinc/27/49/44/1043274944.db2.gz QMGOFLBFCUPMAR-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO COCCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001237619466 1043274956 /nfs/dbraw/zinc/27/49/56/1043274956.db2.gz QMGOFLBFCUPMAR-SFHVURJKSA-N 1 2 370.852 2.646 20 10 FFCDLO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237621853 1043277489 /nfs/dbraw/zinc/27/74/89/1043277489.db2.gz HJLRLDBUQIVSDW-UHFFFAOYSA-N 1 2 367.808 2.616 20 10 FFCDLO CCOC(=O)c1cnc2n1CC[N@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237621853 1043277497 /nfs/dbraw/zinc/27/74/97/1043277497.db2.gz HJLRLDBUQIVSDW-UHFFFAOYSA-N 1 2 367.808 2.616 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237940902 1043446220 /nfs/dbraw/zinc/44/62/20/1043446220.db2.gz PCJFUTCDYAMNJZ-NWDGAFQWSA-N 1 2 374.840 2.645 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237940902 1043446225 /nfs/dbraw/zinc/44/62/25/1043446225.db2.gz PCJFUTCDYAMNJZ-NWDGAFQWSA-N 1 2 374.840 2.645 20 10 FFCDLO Cc1cc(F)cc(C[NH+]2CC3(CCN3C(=O)CCc3ccc[nH]3)C2)c1O ZINC001280030960 1044107044 /nfs/dbraw/zinc/10/70/44/1044107044.db2.gz BQOGJRFXRBSKFU-UHFFFAOYSA-N 1 2 357.429 2.587 20 10 FFCDLO CCOc1ccc(N2CC[NH+](CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)cc1 ZINC001319397629 1045136834 /nfs/dbraw/zinc/13/68/34/1045136834.db2.gz SHYPJUJHDMXCJH-ROUUACIJSA-N 1 2 359.514 2.997 20 10 FFCDLO Cc1ccc2nc(C[NH2+]Cc3ccc(N4CCN(C)CC4)c(F)c3)cn2c1 ZINC001330019614 1049008164 /nfs/dbraw/zinc/00/81/64/1049008164.db2.gz JCUFBRWNGIAPJW-UHFFFAOYSA-N 1 2 367.472 2.823 20 10 FFCDLO CN(Cc1ccccc1O)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@H]1CCCO1 ZINC001343155894 1051779356 /nfs/dbraw/zinc/77/93/56/1051779356.db2.gz PTWLKWMTXYWXDR-IAGOWNOFSA-N 1 2 371.485 2.566 20 10 FFCDLO CN(Cc1ccccc1O)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@H]1CCCO1 ZINC001343155894 1051779364 /nfs/dbraw/zinc/77/93/64/1051779364.db2.gz PTWLKWMTXYWXDR-IAGOWNOFSA-N 1 2 371.485 2.566 20 10 FFCDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001338798748 1055826715 /nfs/dbraw/zinc/82/67/15/1055826715.db2.gz NBJVVKBENMAYIV-UHFFFAOYSA-N 1 2 368.481 2.613 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NCCc3[nH+]ccn3C)c2C)cc1 ZINC001522496129 1062197870 /nfs/dbraw/zinc/19/78/70/1062197870.db2.gz UFKTXHOKBBWYMO-UHFFFAOYSA-N 1 2 352.438 2.809 20 10 FFCDLO C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc(-c2nn[nH]n2)c1O ZINC001589972484 1080913179 /nfs/dbraw/zinc/91/31/79/1080913179.db2.gz GORYQBKDPXRXPV-SECBINFHSA-N 1 2 364.331 2.837 20 10 FFCDLO CC(=O)Nc1nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000096971054 508216605 /nfs/dbraw/zinc/21/66/05/508216605.db2.gz YVUWYNXWOQMJNU-MRXNPFEDSA-N 1 2 361.467 2.988 20 10 FFCDLO CC(=O)Nc1nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000096971054 508216609 /nfs/dbraw/zinc/21/66/09/508216609.db2.gz YVUWYNXWOQMJNU-MRXNPFEDSA-N 1 2 361.467 2.988 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)CC1 ZINC000152363680 508431795 /nfs/dbraw/zinc/43/17/95/508431795.db2.gz KAWSSLSRLAAATH-GOSISDBHSA-N 1 2 352.482 2.998 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000159830291 508897898 /nfs/dbraw/zinc/89/78/98/508897898.db2.gz LNWMAKWDUCJDKF-UHFFFAOYSA-N 1 2 370.449 2.676 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000121354337 509169094 /nfs/dbraw/zinc/16/90/94/509169094.db2.gz OYSDMKLWXUEGNZ-SFHVURJKSA-N 1 2 363.465 2.536 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3csc(C)n3)CC2)cc(OC)c1OC ZINC000183700314 509935139 /nfs/dbraw/zinc/93/51/39/509935139.db2.gz IGRCIYRHAAGSEO-UHFFFAOYSA-N 1 2 363.483 2.800 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)c1O ZINC000184688516 510464072 /nfs/dbraw/zinc/46/40/72/510464072.db2.gz HWALTJHRYYLTAR-UHFFFAOYSA-N 1 2 365.861 2.977 20 10 FFCDLO CN(C)c1ccc(CNc2cccc(S(=O)(=O)NC3=[NH+]CCC3)c2)cc1 ZINC000285437345 510906906 /nfs/dbraw/zinc/90/69/06/510906906.db2.gz CRVMADBKPFLKSG-UHFFFAOYSA-N 1 2 372.494 2.835 20 10 FFCDLO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(Cl)c(Cl)c1O ZINC000282406100 510964089 /nfs/dbraw/zinc/96/40/89/510964089.db2.gz CBTMFLBOGOAQDI-NSHDSACASA-N 1 2 364.269 2.908 20 10 FFCDLO CC[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cccc(Cl)c1O ZINC000286976145 511037233 /nfs/dbraw/zinc/03/72/33/511037233.db2.gz ITBCCSQVRSTMEG-XHDPSFHLSA-N 1 2 362.861 2.644 20 10 FFCDLO COc1cc[nH+]cc1COC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000286960627 511037673 /nfs/dbraw/zinc/03/76/73/511037673.db2.gz LFAIFCIEOFMQNF-QPJJXVBHSA-N 1 2 354.406 2.683 20 10 FFCDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000288672709 511082647 /nfs/dbraw/zinc/08/26/47/511082647.db2.gz HAZKSTNJJPNVRC-CYBMUJFWSA-N 1 2 364.396 2.729 20 10 FFCDLO CC(C)c1nc(N(C)C)nc(NCc2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000271184856 511111344 /nfs/dbraw/zinc/11/13/44/511111344.db2.gz MZNSWYYPONUNMW-UHFFFAOYSA-N 1 2 356.474 2.510 20 10 FFCDLO CC(C)c1nc(NCc2ccc(N3CCOCC3)cc2)nc(N(C)C)[nH+]1 ZINC000271184856 511111351 /nfs/dbraw/zinc/11/13/51/511111351.db2.gz MZNSWYYPONUNMW-UHFFFAOYSA-N 1 2 356.474 2.510 20 10 FFCDLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000282835828 511129279 /nfs/dbraw/zinc/12/92/79/511129279.db2.gz SLKXUNWUAVDHIQ-AWEZNQCLSA-N 1 2 361.465 2.860 20 10 FFCDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1O ZINC000272224815 511470791 /nfs/dbraw/zinc/47/07/91/511470791.db2.gz CSIJFPQVMRSTDA-UHFFFAOYSA-N 1 2 367.442 2.836 20 10 FFCDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1O ZINC000272224815 511470796 /nfs/dbraw/zinc/47/07/96/511470796.db2.gz CSIJFPQVMRSTDA-UHFFFAOYSA-N 1 2 367.442 2.836 20 10 FFCDLO O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272297664 511490856 /nfs/dbraw/zinc/49/08/56/511490856.db2.gz PFFCRBZAERREKA-UHFFFAOYSA-N 1 2 350.340 2.768 20 10 FFCDLO COc1cc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc(OC)c1OC ZINC000273437350 511526423 /nfs/dbraw/zinc/52/64/23/511526423.db2.gz CCIZEJFVAFGUFW-UHFFFAOYSA-N 1 2 368.437 2.915 20 10 FFCDLO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273592889 511545713 /nfs/dbraw/zinc/54/57/13/511545713.db2.gz PSEPNMYDGTVNQS-BBATYDOGSA-N 1 2 362.382 2.702 20 10 FFCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCn2cc[nH+]c2)cc1 ZINC000299686222 511667311 /nfs/dbraw/zinc/66/73/11/511667311.db2.gz UFSOYDDNXCQCLR-LJQANCHMSA-N 1 2 356.470 2.547 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1F ZINC000292830374 511737224 /nfs/dbraw/zinc/73/72/24/511737224.db2.gz RAVYFGXQBRYGTG-UHFFFAOYSA-N 1 2 356.507 2.929 20 10 FFCDLO COc1cc(Br)cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c1O ZINC000374546373 512884297 /nfs/dbraw/zinc/88/42/97/512884297.db2.gz UGMIWZUYQDQBAY-LBPRGKRZSA-N 1 2 352.232 2.534 20 10 FFCDLO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(Br)cc(Cl)c1O ZINC000527958382 518012055 /nfs/dbraw/zinc/01/20/55/518012055.db2.gz VPUJVFOIYLXJTQ-AQUOVQTQSA-N 1 2 364.667 2.999 20 10 FFCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635629967 522409172 /nfs/dbraw/zinc/40/91/72/522409172.db2.gz ZEEDNGNYPJCCMH-OAHLLOKOSA-N 1 2 368.359 2.868 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1O ZINC000177283393 729133399 /nfs/dbraw/zinc/13/33/99/729133399.db2.gz DKTGYXICBWCNQG-QGZVFWFLSA-N 1 2 366.889 2.935 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1O ZINC000177283393 729133402 /nfs/dbraw/zinc/13/34/02/729133402.db2.gz DKTGYXICBWCNQG-QGZVFWFLSA-N 1 2 366.889 2.935 20 10 FFCDLO OC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000877640296 732403551 /nfs/dbraw/zinc/40/35/51/732403551.db2.gz XGLHZLOOXAJDTC-KRWDZBQOSA-N 1 2 358.404 2.801 20 10 FFCDLO OC1CCN(c2ccc(C[N@H+]3CCO[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000877640296 732403557 /nfs/dbraw/zinc/40/35/57/732403557.db2.gz XGLHZLOOXAJDTC-KRWDZBQOSA-N 1 2 358.404 2.801 20 10 FFCDLO COC(=O)[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000781594453 738639693 /nfs/dbraw/zinc/63/96/93/738639693.db2.gz MVOHDYJDUYHJJQ-CZUORRHYSA-N 1 2 354.397 2.798 20 10 FFCDLO CC(C)(C)[S@](=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883008250 733320378 /nfs/dbraw/zinc/32/03/78/733320378.db2.gz VQUPMNWFRLCBEG-LJQANCHMSA-N 1 2 352.269 2.931 20 10 FFCDLO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883113653 733336324 /nfs/dbraw/zinc/33/63/24/733336324.db2.gz ZKCCNAPMPXXPMI-WCQYABFASA-N 1 2 364.255 2.541 20 10 FFCDLO CCCN1C[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)CC1=O ZINC000883147160 733342404 /nfs/dbraw/zinc/34/24/04/733342404.db2.gz MQSMAIXBLZONAA-JTQLQIEISA-N 1 2 359.239 2.642 20 10 FFCDLO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cc(Br)cc(F)c1O ZINC000886669706 733814795 /nfs/dbraw/zinc/81/47/95/733814795.db2.gz CKLXNBMXFFQGSE-MVWJERBFSA-N 1 2 362.239 2.874 20 10 FFCDLO COCCOC[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894070156 734795922 /nfs/dbraw/zinc/79/59/22/734795922.db2.gz OXXUJSYCOQNUMC-NSHDSACASA-N 1 2 362.239 2.779 20 10 FFCDLO COCCOC[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894070156 734795925 /nfs/dbraw/zinc/79/59/25/734795925.db2.gz OXXUJSYCOQNUMC-NSHDSACASA-N 1 2 362.239 2.779 20 10 FFCDLO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2O)CN1 ZINC000894093575 734799930 /nfs/dbraw/zinc/79/99/30/734799930.db2.gz FTQUYTPXIIAGIV-YGRLFVJLSA-N 1 2 371.250 2.784 20 10 FFCDLO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2O)CN1 ZINC000894093575 734799934 /nfs/dbraw/zinc/79/99/34/734799934.db2.gz FTQUYTPXIIAGIV-YGRLFVJLSA-N 1 2 371.250 2.784 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(C)s3)CC2)cc1 ZINC000742916121 735262921 /nfs/dbraw/zinc/26/29/21/735262921.db2.gz CSRHMRQFUCDVGH-UHFFFAOYSA-N 1 2 359.495 2.617 20 10 FFCDLO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3cccc(Cl)c3O)C2)CCC1 ZINC000897699570 735266988 /nfs/dbraw/zinc/26/69/88/735266988.db2.gz GRARMXIOQGWGKA-GOSISDBHSA-N 1 2 353.846 2.716 20 10 FFCDLO COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3cccc(Cl)c3O)C2)CCC1 ZINC000897699570 735266993 /nfs/dbraw/zinc/26/69/93/735266993.db2.gz GRARMXIOQGWGKA-GOSISDBHSA-N 1 2 353.846 2.716 20 10 FFCDLO COCCOCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756357035 736324919 /nfs/dbraw/zinc/32/49/19/736324919.db2.gz BIVXNIXOAUQNHI-JTQLQIEISA-N 1 2 350.228 2.998 20 10 FFCDLO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(Br)c(F)cc1O ZINC000756654295 736349971 /nfs/dbraw/zinc/34/99/71/736349971.db2.gz KBDFPFMADKKULQ-MEBBXXQBSA-N 1 2 362.239 2.734 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@H]1CN(C)CCO1 ZINC000756761764 736359428 /nfs/dbraw/zinc/35/94/28/736359428.db2.gz VCSHDKDPICMFNM-IMSIIYSGSA-N 1 2 361.255 2.664 20 10 FFCDLO O=C(NCCCSc1nccs1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000759601228 736580117 /nfs/dbraw/zinc/58/01/17/736580117.db2.gz MNIAODZTYXXDEB-CYBMUJFWSA-N 1 2 351.501 2.869 20 10 FFCDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775878338 738134964 /nfs/dbraw/zinc/13/49/64/738134964.db2.gz AQXDNHZROVYOTA-HUUCEWRRSA-N 1 2 369.845 2.791 20 10 FFCDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775878338 738134967 /nfs/dbraw/zinc/13/49/67/738134967.db2.gz AQXDNHZROVYOTA-HUUCEWRRSA-N 1 2 369.845 2.791 20 10 FFCDLO CCOC(=O)[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CCOCC1 ZINC000789579178 739369956 /nfs/dbraw/zinc/36/99/56/739369956.db2.gz FHDXDXLCLFVGDL-OAHLLOKOSA-N 1 2 372.259 2.603 20 10 FFCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@H+]2C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000817298506 742120836 /nfs/dbraw/zinc/12/08/36/742120836.db2.gz NDADFJBKJJEBSW-NVXWUHKLSA-N 1 2 366.527 2.611 20 10 FFCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@@H+]2C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000817298506 742120839 /nfs/dbraw/zinc/12/08/39/742120839.db2.gz NDADFJBKJJEBSW-NVXWUHKLSA-N 1 2 366.527 2.611 20 10 FFCDLO C[C@@H](NC1C[NH2+]C1)c1cc(Br)cc(Br)c1O ZINC000817955430 742224363 /nfs/dbraw/zinc/22/43/63/742224363.db2.gz AOJGRSCZSKIUQB-ZCFIWIBFSA-N 1 2 350.054 2.540 20 10 FFCDLO CC[NH+](CC)Cc1nc(C2(NC(=O)C3=CC(=O)CS3)CCCC2)no1 ZINC000823612445 742946955 /nfs/dbraw/zinc/94/69/55/742946955.db2.gz BUPSHUKBQXXOPU-UHFFFAOYSA-N 1 2 364.471 2.878 20 10 FFCDLO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)cc(F)c1O ZINC000834891609 745921353 /nfs/dbraw/zinc/92/13/53/745921353.db2.gz PLIUKKMIQMCAJO-RTXFEEFZSA-N 1 2 373.266 2.808 20 10 FFCDLO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000848546575 748956651 /nfs/dbraw/zinc/95/66/51/748956651.db2.gz BPEBVJAPKOBHLE-RKDXNWHRSA-N 1 2 355.236 2.704 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)c(F)cc1O ZINC000848564229 748961196 /nfs/dbraw/zinc/96/11/96/748961196.db2.gz JYYANMHMDLCFMI-RKDXNWHRSA-N 1 2 369.238 2.630 20 10 FFCDLO COC[C@@H](CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)OC ZINC000850485636 749372192 /nfs/dbraw/zinc/37/21/92/749372192.db2.gz MFHNZLGRYBWHFF-VHSXEESVSA-N 1 2 350.228 2.996 20 10 FFCDLO O=c1[nH]c2cccc(N3CC[NH+](Cc4cc(F)cc(F)c4O)CC3)c2[nH]1 ZINC000896746506 971688829 /nfs/dbraw/zinc/68/88/29/971688829.db2.gz ZKDBYMRFOWVQMA-UHFFFAOYSA-N 1 2 360.364 2.575 20 10 FFCDLO Fc1cc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)ccc1N1CCOCC1 ZINC000895068407 967362196 /nfs/dbraw/zinc/36/21/96/967362196.db2.gz YBFGAYUKDUYAIT-UHFFFAOYSA-N 1 2 356.445 2.823 20 10 FFCDLO Fc1cc(C[N@H+]2CCc3nc[nH]c3C23CCC3)ccc1N1CCOCC1 ZINC000895068407 967362207 /nfs/dbraw/zinc/36/22/07/967362207.db2.gz YBFGAYUKDUYAIT-UHFFFAOYSA-N 1 2 356.445 2.823 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000052636424 967776407 /nfs/dbraw/zinc/77/64/07/967776407.db2.gz ZUEGCXLZAZJIML-MRXNPFEDSA-N 1 2 371.456 2.661 20 10 FFCDLO CCCC[C@@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)[nH]c(=O)c1 ZINC001271799718 974343433 /nfs/dbraw/zinc/34/34/33/974343433.db2.gz XTJWKYUMNSUKRD-OIISXLGYSA-N 1 2 361.486 2.998 20 10 FFCDLO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)[nH]c(=O)c1 ZINC001271799718 974343436 /nfs/dbraw/zinc/34/34/36/974343436.db2.gz XTJWKYUMNSUKRD-OIISXLGYSA-N 1 2 361.486 2.998 20 10 FFCDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c(C)n1-c1ccccc1C ZINC000729385881 978271301 /nfs/dbraw/zinc/27/13/01/978271301.db2.gz XTILXNMGRFORCB-QGZVFWFLSA-N 1 2 355.482 2.853 20 10 FFCDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(C)n1-c1ccccc1C ZINC000729385881 978271308 /nfs/dbraw/zinc/27/13/08/978271308.db2.gz XTILXNMGRFORCB-QGZVFWFLSA-N 1 2 355.482 2.853 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)Cc3ccc(F)cc3)CC2)cc1 ZINC000057548505 984503719 /nfs/dbraw/zinc/50/37/19/984503719.db2.gz XRTSVWZNZSFAAR-UHFFFAOYSA-N 1 2 371.456 2.615 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001272865363 986772562 /nfs/dbraw/zinc/77/25/62/986772562.db2.gz XFANIGWFPSIAHR-HWKANZROSA-N 1 2 370.371 2.740 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001272865363 986772573 /nfs/dbraw/zinc/77/25/73/986772573.db2.gz XFANIGWFPSIAHR-HWKANZROSA-N 1 2 370.371 2.740 20 10 FFCDLO COc1ccc(N2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)CC2)cc1 ZINC000917088107 990126302 /nfs/dbraw/zinc/12/63/02/990126302.db2.gz OYTDUGDATICEBA-UHFFFAOYSA-N 1 2 363.465 2.988 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)CC2)cc1 ZINC000917088107 990126306 /nfs/dbraw/zinc/12/63/06/990126306.db2.gz OYTDUGDATICEBA-UHFFFAOYSA-N 1 2 363.465 2.988 20 10 FFCDLO CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000242824221 991980750 /nfs/dbraw/zinc/98/07/50/991980750.db2.gz FMPMSBRIFBONQG-UHFFFAOYSA-N 1 2 367.493 2.866 20 10 FFCDLO Oc1cc(F)c(Br)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001144299939 998287481 /nfs/dbraw/zinc/28/74/81/998287481.db2.gz MWHGWBXNWVKKIJ-ZDUSSCGKSA-N 1 2 373.266 2.590 20 10 FFCDLO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(Br)c(F)cc3O)C2)O1 ZINC001144307743 998304483 /nfs/dbraw/zinc/30/44/83/998304483.db2.gz HDQDMPUPRHLNCL-OAHLLOKOSA-N 1 2 358.207 2.965 20 10 FFCDLO O=C1CC[C@@]2(CCC[N@H+](Cc3cc(Br)c(F)cc3O)C2)O1 ZINC001144307743 998304492 /nfs/dbraw/zinc/30/44/92/998304492.db2.gz HDQDMPUPRHLNCL-OAHLLOKOSA-N 1 2 358.207 2.965 20 10 FFCDLO COc1ccc(N(C)CCN(C)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000845057618 998331569 /nfs/dbraw/zinc/33/15/69/998331569.db2.gz JCUYAYDTTUNUKU-UHFFFAOYSA-N 1 2 367.453 2.621 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1ccc(C(C)C)cc1 ZINC000770665562 1000871020 /nfs/dbraw/zinc/87/10/20/1000871020.db2.gz JPAKOKWCCCQUQA-PMACEKPBSA-N 1 2 370.493 2.828 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1ccc(C(C)C)cc1 ZINC000770665562 1000871025 /nfs/dbraw/zinc/87/10/25/1000871025.db2.gz JPAKOKWCCCQUQA-PMACEKPBSA-N 1 2 370.493 2.828 20 10 FFCDLO CC[C@@H](C)N1CC2(C[NH+](Cc3cccc(C(C)(C)C)c3O)C2)OCC1=O ZINC001276247288 1016612329 /nfs/dbraw/zinc/61/23/29/1016612329.db2.gz FTTNTBKTJVBMNS-OAHLLOKOSA-N 1 2 360.498 2.901 20 10 FFCDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)O1 ZINC000882589382 1006445492 /nfs/dbraw/zinc/44/54/92/1006445492.db2.gz VSYQLOXCJKURJV-MGPUTAFESA-N 1 2 372.490 2.959 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)O1 ZINC000882589382 1006445500 /nfs/dbraw/zinc/44/55/00/1006445500.db2.gz VSYQLOXCJKURJV-MGPUTAFESA-N 1 2 372.490 2.959 20 10 FFCDLO COC(=O)N1CCN(c2ccc(NCc3ccc(N(C)C)cc3)c[nH+]2)CC1 ZINC000815157177 1006522385 /nfs/dbraw/zinc/52/23/85/1006522385.db2.gz LDTVQXNJFGISLQ-UHFFFAOYSA-N 1 2 369.469 2.648 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000815292720 1006568311 /nfs/dbraw/zinc/56/83/11/1006568311.db2.gz DTCSGGUAETXZNN-FQEVSTJZSA-N 1 2 359.514 2.602 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000815292720 1006568322 /nfs/dbraw/zinc/56/83/22/1006568322.db2.gz DTCSGGUAETXZNN-FQEVSTJZSA-N 1 2 359.514 2.602 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)N3CCC(n4cc[nH+]c4)CC3)C2)cc1 ZINC000854300918 1006766006 /nfs/dbraw/zinc/76/60/06/1006766006.db2.gz DHCQXHGQPVYCJU-INIZCTEOSA-N 1 2 369.469 2.517 20 10 FFCDLO Cc1cc(CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccc1 ZINC000854830064 1006997511 /nfs/dbraw/zinc/99/75/11/1006997511.db2.gz RAUFIGOFEYFVSH-OYRHEFFESA-N 1 2 367.493 2.616 20 10 FFCDLO Cc1cc(CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccc1 ZINC000854830064 1006997517 /nfs/dbraw/zinc/99/75/17/1006997517.db2.gz RAUFIGOFEYFVSH-OYRHEFFESA-N 1 2 367.493 2.616 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc4cccc(C)n34)CC2)c(OC)c1 ZINC001137199761 1007074196 /nfs/dbraw/zinc/07/41/96/1007074196.db2.gz ANIRXCCOHDNLQG-UHFFFAOYSA-N 1 2 366.465 2.982 20 10 FFCDLO COc1cc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c(O)cc1Br ZINC001206245130 1032198063 /nfs/dbraw/zinc/19/80/63/1032198063.db2.gz QOWMQNFFZNMYFE-LBPRGKRZSA-N 1 2 369.181 2.629 20 10 FFCDLO COc1cc(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c(O)cc1Br ZINC001206245130 1032198069 /nfs/dbraw/zinc/19/80/69/1032198069.db2.gz QOWMQNFFZNMYFE-LBPRGKRZSA-N 1 2 369.181 2.629 20 10 FFCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1C1CC1 ZINC001206478252 1032302546 /nfs/dbraw/zinc/30/25/46/1032302546.db2.gz WTOXUHQGWLKICE-QWHCGFSZSA-N 1 2 372.234 2.925 20 10 FFCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1C1CC1 ZINC001206478252 1032302555 /nfs/dbraw/zinc/30/25/55/1032302555.db2.gz WTOXUHQGWLKICE-QWHCGFSZSA-N 1 2 372.234 2.925 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)Cc1ccccc1-n1cncn1 ZINC000822511545 1008663137 /nfs/dbraw/zinc/66/31/37/1008663137.db2.gz HYLQRAUDQPXDPG-UHFFFAOYSA-N 1 2 366.421 2.538 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)Cc1ccccc1-n1cncn1 ZINC000822511545 1008663144 /nfs/dbraw/zinc/66/31/44/1008663144.db2.gz HYLQRAUDQPXDPG-UHFFFAOYSA-N 1 2 366.421 2.538 20 10 FFCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccn2cc[nH+]c2c1 ZINC000823126121 1008930880 /nfs/dbraw/zinc/93/08/80/1008930880.db2.gz SFSJKGCGMHCOSD-UHFFFAOYSA-N 1 2 365.437 2.617 20 10 FFCDLO COC[C@]1(C)C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000862552116 1009878727 /nfs/dbraw/zinc/87/87/27/1009878727.db2.gz SXYILJKVGHWLAR-IBGZPJMESA-N 1 2 363.458 2.822 20 10 FFCDLO COC[C@]1(C)C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000862552116 1009878747 /nfs/dbraw/zinc/87/87/47/1009878747.db2.gz SXYILJKVGHWLAR-IBGZPJMESA-N 1 2 363.458 2.822 20 10 FFCDLO CC(=O)OC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)CC1 ZINC000828479833 1032720448 /nfs/dbraw/zinc/72/04/48/1032720448.db2.gz IRPFRJYTSXHMQT-UHFFFAOYSA-N 1 2 373.428 2.838 20 10 FFCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(F)cc3F)C1)[C@H](O)CO2 ZINC000777570931 1017809966 /nfs/dbraw/zinc/80/99/66/1017809966.db2.gz ZVVCVRFECQSSBY-IEBWSBKVSA-N 1 2 363.360 2.670 20 10 FFCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(F)cc3F)C1)[C@H](O)CO2 ZINC000777570931 1017809978 /nfs/dbraw/zinc/80/99/78/1017809978.db2.gz ZVVCVRFECQSSBY-IEBWSBKVSA-N 1 2 363.360 2.670 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000802121867 1019765269 /nfs/dbraw/zinc/76/52/69/1019765269.db2.gz SQKIXHAOMNLVFJ-DLBZAZTESA-N 1 2 363.502 2.813 20 10 FFCDLO C/C(=C\C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C[NH+]1CCOCC1 ZINC000900125888 1020208548 /nfs/dbraw/zinc/20/85/48/1020208548.db2.gz ZDFBTTRJPXRZCI-SAPNQHFASA-N 1 2 357.498 2.522 20 10 FFCDLO C/C(=C/C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C[NH+]1CCOCC1 ZINC000900293109 1020337541 /nfs/dbraw/zinc/33/75/41/1020337541.db2.gz VJJYDGYAWWOWIW-JXAWBTAJSA-N 1 2 359.514 2.768 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)C(C)(C)C2)c(C)n1-c1ccc(F)cn1 ZINC000829108216 1033012531 /nfs/dbraw/zinc/01/25/31/1033012531.db2.gz VPVBETCTMCHMST-SFHVURJKSA-N 1 2 359.445 2.904 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)C(C)(C)C2)c(C)n1-c1ccc(F)cn1 ZINC000829108216 1033012543 /nfs/dbraw/zinc/01/25/43/1033012543.db2.gz VPVBETCTMCHMST-SFHVURJKSA-N 1 2 359.445 2.904 20 10 FFCDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753547882 1023351075 /nfs/dbraw/zinc/35/10/75/1023351075.db2.gz XHQQNIHRMAFOKF-HXUWFJFHSA-N 1 2 371.433 2.735 20 10 FFCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000753547882 1023351080 /nfs/dbraw/zinc/35/10/80/1023351080.db2.gz XHQQNIHRMAFOKF-HXUWFJFHSA-N 1 2 371.433 2.735 20 10 FFCDLO Cn1c[nH+]cc1C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC001123517111 1023845323 /nfs/dbraw/zinc/84/53/23/1023845323.db2.gz HTKVQDAWFKFEQZ-UHFFFAOYSA-N 1 2 365.528 2.948 20 10 FFCDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1c(O)cccc1F ZINC001137841824 1033187708 /nfs/dbraw/zinc/18/77/08/1033187708.db2.gz WQWMLDBLCSCMCB-HOCLYGCPSA-N 1 2 354.422 2.597 20 10 FFCDLO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@@H+](C)Cc1c(O)cccc1F ZINC001137841824 1033187715 /nfs/dbraw/zinc/18/77/15/1033187715.db2.gz WQWMLDBLCSCMCB-HOCLYGCPSA-N 1 2 354.422 2.597 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCCCCC3)CC2)cc1F ZINC000084866897 1025152644 /nfs/dbraw/zinc/15/26/44/1025152644.db2.gz DIINPDUAVPAFAW-MRXNPFEDSA-N 1 2 363.477 2.747 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+](CCO)C3CC3)c2C)cc1 ZINC000085786581 1025227865 /nfs/dbraw/zinc/22/78/65/1025227865.db2.gz ICDMERQGARZINN-UHFFFAOYSA-N 1 2 370.449 2.520 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+](CCO)C3CC3)c2C)cc1 ZINC000085786581 1025227871 /nfs/dbraw/zinc/22/78/71/1025227871.db2.gz ICDMERQGARZINN-UHFFFAOYSA-N 1 2 370.449 2.520 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000839171252 1026610625 /nfs/dbraw/zinc/61/06/25/1026610625.db2.gz BYOZMEANUPEZPS-RXVVDRJESA-N 1 2 370.493 2.685 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@H](O)[C@H](CO)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000839171252 1026610631 /nfs/dbraw/zinc/61/06/31/1026610631.db2.gz BYOZMEANUPEZPS-RXVVDRJESA-N 1 2 370.493 2.685 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc4nc(C)cc(C)n34)CC2)cc1F ZINC000091923317 1027134584 /nfs/dbraw/zinc/13/45/84/1027134584.db2.gz RLCBNPJEOOHBAJ-UHFFFAOYSA-N 1 2 369.444 2.816 20 10 FFCDLO COC(=O)C[C@H](c1cc[nH+]c(NCCc2cc(O)c(O)cc2O)c1)C1CC1 ZINC001157245037 1029520359 /nfs/dbraw/zinc/52/03/59/1029520359.db2.gz HHDAJXYAUCIFGL-HNNXBMFYSA-N 1 2 372.421 2.910 20 10 FFCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001142525014 1030577469 /nfs/dbraw/zinc/57/74/69/1030577469.db2.gz TVBKHXXPQYUNNZ-UHFFFAOYSA-N 1 2 374.313 2.801 20 10 FFCDLO CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142531332 1030581124 /nfs/dbraw/zinc/58/11/24/1030581124.db2.gz UWOHRMBGLQBZLZ-ZDUSSCGKSA-N 1 2 356.369 2.686 20 10 FFCDLO CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142531332 1030581137 /nfs/dbraw/zinc/58/11/37/1030581137.db2.gz UWOHRMBGLQBZLZ-ZDUSSCGKSA-N 1 2 356.369 2.686 20 10 FFCDLO C[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2O)C[C@H]1O ZINC001203564491 1030768081 /nfs/dbraw/zinc/76/80/81/1030768081.db2.gz JXWYRFJVYXHDAG-WRWORJQWSA-N 1 2 365.065 2.730 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2O)C[C@H]1O ZINC001203564491 1030768096 /nfs/dbraw/zinc/76/80/96/1030768096.db2.gz JXWYRFJVYXHDAG-WRWORJQWSA-N 1 2 365.065 2.730 20 10 FFCDLO O=C([O-])c1ccc[nH+]c1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000843034373 1031147730 /nfs/dbraw/zinc/14/77/30/1031147730.db2.gz JXIZPHXYFPRVCC-UHFFFAOYSA-N 1 2 366.465 2.924 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001138124047 1033799992 /nfs/dbraw/zinc/79/99/92/1033799992.db2.gz WUAHOZMGQQWMMY-NLWGTHIKSA-N 1 2 358.413 2.875 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001138124047 1033800006 /nfs/dbraw/zinc/80/00/06/1033800006.db2.gz WUAHOZMGQQWMMY-NLWGTHIKSA-N 1 2 358.413 2.875 20 10 FFCDLO O=C1[C@H]2[C@H](CCC[N@H+]2Cc2cccc(F)c2O)C(=O)N1Cc1ccccc1 ZINC001138128362 1033814612 /nfs/dbraw/zinc/81/46/12/1033814612.db2.gz FRJAIAJAEHRSGD-FUHWJXTLSA-N 1 2 368.408 2.681 20 10 FFCDLO O=C1[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(F)c2O)C(=O)N1Cc1ccccc1 ZINC001138128362 1033814624 /nfs/dbraw/zinc/81/46/24/1033814624.db2.gz FRJAIAJAEHRSGD-FUHWJXTLSA-N 1 2 368.408 2.681 20 10 FFCDLO COC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)Cc2nnn(C)c21 ZINC001138216807 1033968060 /nfs/dbraw/zinc/96/80/60/1033968060.db2.gz LVGLZGHOIKEMBI-QGZVFWFLSA-N 1 2 355.486 2.551 20 10 FFCDLO COC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)Cc2nnn(C)c21 ZINC001138216807 1033968065 /nfs/dbraw/zinc/96/80/65/1033968065.db2.gz LVGLZGHOIKEMBI-QGZVFWFLSA-N 1 2 355.486 2.551 20 10 FFCDLO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097477 1034517282 /nfs/dbraw/zinc/51/72/82/1034517282.db2.gz HSFCQFRIUCHAJC-YJYMSZOUSA-N 1 2 368.424 2.520 20 10 FFCDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139130725 1034960360 /nfs/dbraw/zinc/96/03/60/1034960360.db2.gz ICDOQYCOHWSFQV-RFUYNDQBSA-N 1 2 371.433 2.971 20 10 FFCDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139130725 1034960367 /nfs/dbraw/zinc/96/03/67/1034960367.db2.gz ICDOQYCOHWSFQV-RFUYNDQBSA-N 1 2 371.433 2.971 20 10 FFCDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140464969 1035485623 /nfs/dbraw/zinc/48/56/23/1035485623.db2.gz GGCHDZKRBOFEPR-LJQANCHMSA-N 1 2 366.889 2.895 20 10 FFCDLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001140464969 1035485627 /nfs/dbraw/zinc/48/56/27/1035485627.db2.gz GGCHDZKRBOFEPR-LJQANCHMSA-N 1 2 366.889 2.895 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)Cc2cn(C)nc21 ZINC001232259911 1035532269 /nfs/dbraw/zinc/53/22/69/1035532269.db2.gz MFHIAYBGMWLTRX-ZDUSSCGKSA-N 1 2 351.834 2.621 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)Cc2cn(C)nc21 ZINC001232259911 1035532278 /nfs/dbraw/zinc/53/22/78/1035532278.db2.gz MFHIAYBGMWLTRX-ZDUSSCGKSA-N 1 2 351.834 2.621 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277232578 1035682646 /nfs/dbraw/zinc/68/26/46/1035682646.db2.gz URTREGWOAZVURX-ORAYPTAESA-N 1 2 364.873 2.980 20 10 FFCDLO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277232578 1035682652 /nfs/dbraw/zinc/68/26/52/1035682652.db2.gz URTREGWOAZVURX-ORAYPTAESA-N 1 2 364.873 2.980 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232704 1035682739 /nfs/dbraw/zinc/68/27/39/1035682739.db2.gz XNKQDVKOEHETRS-FZKQIMNGSA-N 1 2 352.862 2.647 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277232704 1035682749 /nfs/dbraw/zinc/68/27/49/1035682749.db2.gz XNKQDVKOEHETRS-FZKQIMNGSA-N 1 2 352.862 2.647 20 10 FFCDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014153 1036249008 /nfs/dbraw/zinc/24/90/08/1036249008.db2.gz MGZXQULNAXYCLJ-IBGZPJMESA-N 1 2 364.442 2.779 20 10 FFCDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014153 1036249029 /nfs/dbraw/zinc/24/90/29/1036249029.db2.gz MGZXQULNAXYCLJ-IBGZPJMESA-N 1 2 364.442 2.779 20 10 FFCDLO COc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233080165 1036325769 /nfs/dbraw/zinc/32/57/69/1036325769.db2.gz RNCSLNHBXSGKHC-LBPRGKRZSA-N 1 2 351.353 2.512 20 10 FFCDLO COc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233080165 1036325790 /nfs/dbraw/zinc/32/57/90/1036325790.db2.gz RNCSLNHBXSGKHC-LBPRGKRZSA-N 1 2 351.353 2.512 20 10 FFCDLO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cc(C)[nH]n4)C3)C2)cc1 ZINC001203073427 1036356569 /nfs/dbraw/zinc/35/65/69/1036356569.db2.gz ZXDBSCUJWVSVTI-NRFANRHFSA-N 1 2 370.497 2.846 20 10 FFCDLO COc1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cc(C)[nH]n4)C3)C2)cc1 ZINC001203073427 1036356588 /nfs/dbraw/zinc/35/65/88/1036356588.db2.gz ZXDBSCUJWVSVTI-NRFANRHFSA-N 1 2 370.497 2.846 20 10 FFCDLO COC(=O)c1ccc(N2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)cc1 ZINC001233335517 1036540163 /nfs/dbraw/zinc/54/01/63/1036540163.db2.gz ZAMPIMYMSAJQLV-UHFFFAOYSA-N 1 2 362.376 2.779 20 10 FFCDLO NC(=O)c1ccc(OC2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)cc1 ZINC001233335770 1036542647 /nfs/dbraw/zinc/54/26/47/1036542647.db2.gz KUJRHRKOWDZLSR-UHFFFAOYSA-N 1 2 362.376 2.813 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)Cc2nn(CC3CC3)cc21 ZINC001233483859 1036650657 /nfs/dbraw/zinc/65/06/57/1036650657.db2.gz OQJBGRAHIUBOBY-HNNXBMFYSA-N 1 2 373.453 2.546 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)Cc2nn(CC3CC3)cc21 ZINC001233483859 1036650662 /nfs/dbraw/zinc/65/06/62/1036650662.db2.gz OQJBGRAHIUBOBY-HNNXBMFYSA-N 1 2 373.453 2.546 20 10 FFCDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)C1=O ZINC001277388418 1036681015 /nfs/dbraw/zinc/68/10/15/1036681015.db2.gz XJCGKJXZKYXDBM-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)C1=O ZINC001277388418 1036681021 /nfs/dbraw/zinc/68/10/21/1036681021.db2.gz XJCGKJXZKYXDBM-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCc1ccc(C[N@H+]2C[C@]3(F)CN([C@H](C)CC)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277825908 1036875972 /nfs/dbraw/zinc/87/59/72/1036875972.db2.gz GUVCYOTUZPLIJT-ZNZDAUKMSA-N 1 2 352.425 2.828 20 10 FFCDLO CCc1ccc(C[N@@H+]2C[C@]3(F)CN([C@H](C)CC)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277825908 1036875996 /nfs/dbraw/zinc/87/59/96/1036875996.db2.gz GUVCYOTUZPLIJT-ZNZDAUKMSA-N 1 2 352.425 2.828 20 10 FFCDLO CC[C@@H](C)N1CC2(C[NH+](Cc3cc4ccccc4cc3O)C2)OCC1=O ZINC001277848858 1036993466 /nfs/dbraw/zinc/99/34/66/1036993466.db2.gz KWPDKVQSFMPDOB-OAHLLOKOSA-N 1 2 354.450 2.757 20 10 FFCDLO CN1CC2(CC1=O)CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001235064183 1037335848 /nfs/dbraw/zinc/33/58/48/1037335848.db2.gz ADQOTXDVBHKTCY-UHFFFAOYSA-N 1 2 371.250 2.738 20 10 FFCDLO COc1cc(C[NH+]2CCN(C[C@@H](OC)c3ccccc3)CC2)c(O)cc1O ZINC001231638860 1037762754 /nfs/dbraw/zinc/76/27/54/1037762754.db2.gz HKCSKALEILSBOC-OAQYLSRUSA-N 1 2 372.465 2.612 20 10 FFCDLO [NH3+][C@@H]1CCN(Cc2cc(Cl)cc(Br)c2O)CC1(F)F ZINC001235914804 1037829658 /nfs/dbraw/zinc/82/96/58/1037829658.db2.gz LXZYXQSSXYMBDV-SNVBAGLBSA-N 1 2 355.610 2.976 20 10 FFCDLO CCOCc1nnn2c1C[N@H+](Cc1cc(Cl)c(C)cc1O)CCC2 ZINC001231869614 1037963940 /nfs/dbraw/zinc/96/39/40/1037963940.db2.gz SPOBWOZESZYVOX-UHFFFAOYSA-N 1 2 350.850 2.888 20 10 FFCDLO CCOCc1nnn2c1C[N@@H+](Cc1cc(Cl)c(C)cc1O)CCC2 ZINC001231869614 1037963978 /nfs/dbraw/zinc/96/39/78/1037963978.db2.gz SPOBWOZESZYVOX-UHFFFAOYSA-N 1 2 350.850 2.888 20 10 FFCDLO O=c1c2ccccc2nnn1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231914472 1038011428 /nfs/dbraw/zinc/01/14/28/1038011428.db2.gz MAVCQGRELWSBLO-UHFFFAOYSA-N 1 2 370.840 2.988 20 10 FFCDLO CCn1nnc2c1CC[N@H+](Cc1cc3ccccc3cc1O)[C@H]2COC ZINC001236828954 1038293480 /nfs/dbraw/zinc/29/34/80/1038293480.db2.gz HLHUSPDTBXQOOD-SFHVURJKSA-N 1 2 352.438 2.903 20 10 FFCDLO CCn1nnc2c1CC[N@@H+](Cc1cc3ccccc3cc1O)[C@H]2COC ZINC001236828954 1038293485 /nfs/dbraw/zinc/29/34/85/1038293485.db2.gz HLHUSPDTBXQOOD-SFHVURJKSA-N 1 2 352.438 2.903 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3sc(=O)[nH]c3Cl)CC2)c(OC)c1 ZINC001237154274 1038457030 /nfs/dbraw/zinc/45/70/30/1038457030.db2.gz JLJYBEHTRWQLEY-UHFFFAOYSA-N 1 2 369.874 2.842 20 10 FFCDLO O[C@@H](C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC001250977691 1038873699 /nfs/dbraw/zinc/87/36/99/1038873699.db2.gz KRZIETATJQNJLR-LBPRGKRZSA-N 1 2 358.282 2.630 20 10 FFCDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001276744025 1042069846 /nfs/dbraw/zinc/06/98/46/1042069846.db2.gz KQOSJGYTGUGJDR-GFCCVEGCSA-N 1 2 372.387 2.623 20 10 FFCDLO CN(C)c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c(Cl)c1 ZINC001279333656 1043007690 /nfs/dbraw/zinc/00/76/90/1043007690.db2.gz JXCNTPUSUSZSMC-KDURUIRLSA-N 1 2 374.916 2.819 20 10 FFCDLO CN(C)c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c(Cl)c1 ZINC001279333656 1043007696 /nfs/dbraw/zinc/00/76/96/1043007696.db2.gz JXCNTPUSUSZSMC-KDURUIRLSA-N 1 2 374.916 2.819 20 10 FFCDLO O=c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c(O)ccc(F)c2F)[nH]1 ZINC001279490048 1043176612 /nfs/dbraw/zinc/17/66/12/1043176612.db2.gz OGNOZQJZQSMIBO-OKILXGFUSA-N 1 2 361.392 2.620 20 10 FFCDLO O=c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c(O)ccc(F)c2F)[nH]1 ZINC001279490048 1043176619 /nfs/dbraw/zinc/17/66/19/1043176619.db2.gz OGNOZQJZQSMIBO-OKILXGFUSA-N 1 2 361.392 2.620 20 10 FFCDLO COc1cc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(O)c(OC)c1 ZINC001237680358 1043307579 /nfs/dbraw/zinc/30/75/79/1043307579.db2.gz JISAGCNLUSEGEG-UHFFFAOYSA-N 1 2 362.470 2.634 20 10 FFCDLO COc1cnc(O[C@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)nc1 ZINC001237802743 1043368523 /nfs/dbraw/zinc/36/85/23/1043368523.db2.gz OHKZWSANMGURHD-LBPRGKRZSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1cnc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)nc1 ZINC001237802743 1043368530 /nfs/dbraw/zinc/36/85/30/1043368530.db2.gz OHKZWSANMGURHD-LBPRGKRZSA-N 1 2 353.781 2.637 20 10 FFCDLO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)c(O)c1Cl ZINC001279665883 1043429120 /nfs/dbraw/zinc/42/91/20/1043429120.db2.gz RYGBTSIHTIGFNH-WBVHZDCISA-N 1 2 366.889 2.882 20 10 FFCDLO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)c(O)c1Cl ZINC001279665883 1043429123 /nfs/dbraw/zinc/42/91/23/1043429123.db2.gz RYGBTSIHTIGFNH-WBVHZDCISA-N 1 2 366.889 2.882 20 10 FFCDLO COc1ccc(N2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@H](C2)O3)c(OC)c1 ZINC001279759800 1043600270 /nfs/dbraw/zinc/60/02/70/1043600270.db2.gz XRNOVOJMVQMQMT-GASCZTMLSA-N 1 2 374.403 2.936 20 10 FFCDLO COc1ccc(N2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@H](C2)O3)c(OC)c1 ZINC001279759800 1043600276 /nfs/dbraw/zinc/60/02/76/1043600276.db2.gz XRNOVOJMVQMQMT-GASCZTMLSA-N 1 2 374.403 2.936 20 10 FFCDLO O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001280008087 1044080845 /nfs/dbraw/zinc/08/08/45/1044080845.db2.gz JPTHKARQIXWYOM-HKWLTPLLSA-N 1 2 350.409 2.893 20 10 FFCDLO O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001280008087 1044080855 /nfs/dbraw/zinc/08/08/55/1044080855.db2.gz JPTHKARQIXWYOM-HKWLTPLLSA-N 1 2 350.409 2.893 20 10 FFCDLO NC(=O)[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000725845004 1044672257 /nfs/dbraw/zinc/67/22/57/1044672257.db2.gz FWDUIYSNNLNPQR-LJQANCHMSA-N 1 2 368.437 2.901 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCc2[nH+]ccn2C)cc1 ZINC001348255342 1054579113 /nfs/dbraw/zinc/57/91/13/1054579113.db2.gz ZAULXKBZHOAUJC-UHFFFAOYSA-N 1 2 364.449 2.542 20 10 FFCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000847407603 1055723106 /nfs/dbraw/zinc/72/31/06/1055723106.db2.gz LRIRPYWLQDDOIW-OXQOHEQNSA-N 1 2 370.497 2.862 20 10 FFCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000847407603 1055723118 /nfs/dbraw/zinc/72/31/18/1055723118.db2.gz LRIRPYWLQDDOIW-OXQOHEQNSA-N 1 2 370.497 2.862 20 10 FFCDLO COc1ccc(N2CC[C@H](CNC(=O)c3ccn4c(C)c[nH+]c4c3)C2)cc1 ZINC000848228642 1059416508 /nfs/dbraw/zinc/41/65/08/1059416508.db2.gz DVYAHZASBJLBMB-MRXNPFEDSA-N 1 2 364.449 2.908 20 10 FFCDLO COC(=O)c1coc(C[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC001474652334 1065570044 /nfs/dbraw/zinc/57/00/44/1065570044.db2.gz KSLQXUGOIFAWJW-UHFFFAOYSA-N 1 2 358.163 2.963 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1O ZINC001560062456 1076219936 /nfs/dbraw/zinc/21/99/36/1076219936.db2.gz MTAPUIPXNLFHGO-QZTJIDSGSA-N 1 2 361.825 2.872 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1O ZINC001560062456 1076219937 /nfs/dbraw/zinc/21/99/37/1076219937.db2.gz MTAPUIPXNLFHGO-QZTJIDSGSA-N 1 2 361.825 2.872 20 10 FFCDLO C[C@@H](C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)c1ccccc1[N+](=O)[O-] ZINC001589870179 1080819030 /nfs/dbraw/zinc/81/90/30/1080819030.db2.gz PCQQHVAZKSPARW-NWDGAFQWSA-N 1 2 368.397 2.935 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589964347 1080908114 /nfs/dbraw/zinc/90/81/14/1080908114.db2.gz QTXLTIPUJVOJPF-STQMWFEESA-N 1 2 351.410 2.789 20 10 FFCDLO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cccc(-c2nn[nH]n2)c1O ZINC001589969769 1080911972 /nfs/dbraw/zinc/91/19/72/1080911972.db2.gz MXQZGGBGKNEDIV-VIFPVBQESA-N 1 2 364.331 2.837 20 10 FFCDLO Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc[nH+]1 ZINC000119655163 508837398 /nfs/dbraw/zinc/83/73/98/508837398.db2.gz SDHBGSHRXNKWOA-UHFFFAOYSA-N 1 2 354.454 2.920 20 10 FFCDLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000120057484 508918758 /nfs/dbraw/zinc/91/87/58/508918758.db2.gz NSXHKDQCGXKWHE-ZDUSSCGKSA-N 1 2 364.423 2.561 20 10 FFCDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000237504215 509664669 /nfs/dbraw/zinc/66/46/69/509664669.db2.gz BAVXLXLOGBAVPI-SFHVURJKSA-N 1 2 367.493 2.561 20 10 FFCDLO CCOCc1cc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)ccc1OC ZINC000267950178 509682865 /nfs/dbraw/zinc/68/28/65/509682865.db2.gz SXBFUZBQIYUVCE-QGZVFWFLSA-N 1 2 361.463 2.850 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180279122 509846748 /nfs/dbraw/zinc/84/67/48/509846748.db2.gz MTLABARGIBWDJL-UHFFFAOYSA-N 1 2 352.482 2.771 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180279122 509846755 /nfs/dbraw/zinc/84/67/55/509846755.db2.gz MTLABARGIBWDJL-UHFFFAOYSA-N 1 2 352.482 2.771 20 10 FFCDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000362375165 511182387 /nfs/dbraw/zinc/18/23/87/511182387.db2.gz BJJUAYXYRVSGFB-FQEVSTJZSA-N 1 2 364.449 2.638 20 10 FFCDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000362375165 511182389 /nfs/dbraw/zinc/18/23/89/511182389.db2.gz BJJUAYXYRVSGFB-FQEVSTJZSA-N 1 2 364.449 2.638 20 10 FFCDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(C)c(C)cc1O ZINC000362375165 511182393 /nfs/dbraw/zinc/18/23/93/511182393.db2.gz BJJUAYXYRVSGFB-FQEVSTJZSA-N 1 2 364.449 2.638 20 10 FFCDLO Cc1cc(C(=O)NC2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)no1 ZINC000365242320 511338892 /nfs/dbraw/zinc/33/88/92/511338892.db2.gz OICHGWDWGSPQCV-UHFFFAOYSA-N 1 2 367.808 2.876 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000273536053 511530450 /nfs/dbraw/zinc/53/04/50/511530450.db2.gz XKJKFECOKREHBI-BONVTDFDSA-N 1 2 351.349 2.841 20 10 FFCDLO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000273612646 511551338 /nfs/dbraw/zinc/55/13/38/511551338.db2.gz WQSPKFZQTFDBLY-LLVKDONJSA-N 1 2 374.312 2.902 20 10 FFCDLO CN1CCCc2cc(CNC(=O)C3CC[NH+](CC(F)F)CC3)ccc21 ZINC000280817606 511614759 /nfs/dbraw/zinc/61/47/59/511614759.db2.gz RJWAUYCYOLYGMJ-UHFFFAOYSA-N 1 2 351.441 2.662 20 10 FFCDLO COc1cc(Br)cc(CN2CCn3cc(C)[nH+]c3C2)c1O ZINC000374705144 512963885 /nfs/dbraw/zinc/96/38/85/512963885.db2.gz ZGLDLEHODJYRJT-UHFFFAOYSA-N 1 2 352.232 2.684 20 10 FFCDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000368628159 513033825 /nfs/dbraw/zinc/03/38/25/513033825.db2.gz ZQICFHBFTUIXRD-INIZCTEOSA-N 1 2 360.841 2.727 20 10 FFCDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000368628159 513033827 /nfs/dbraw/zinc/03/38/27/513033827.db2.gz ZQICFHBFTUIXRD-INIZCTEOSA-N 1 2 360.841 2.727 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374869391 513046949 /nfs/dbraw/zinc/04/69/49/513046949.db2.gz RIPMNJNVOPXCEE-IQIBNGDESA-N 1 2 358.825 2.938 20 10 FFCDLO CC[N@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000132476792 728724603 /nfs/dbraw/zinc/72/46/03/728724603.db2.gz YHHYGXMTBFCLQW-UHFFFAOYSA-N 1 2 353.054 2.731 20 10 FFCDLO CC[N@@H+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000132476792 728724604 /nfs/dbraw/zinc/72/46/04/728724604.db2.gz YHHYGXMTBFCLQW-UHFFFAOYSA-N 1 2 353.054 2.731 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1cc(Br)cc(OC)c1O)C(C)C ZINC000179424225 729186305 /nfs/dbraw/zinc/18/63/05/729186305.db2.gz UEENRYZGYHUGDR-UHFFFAOYSA-N 1 2 360.248 2.937 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1cc(Br)cc(OC)c1O)C(C)C ZINC000179424225 729186308 /nfs/dbraw/zinc/18/63/08/729186308.db2.gz UEENRYZGYHUGDR-UHFFFAOYSA-N 1 2 360.248 2.937 20 10 FFCDLO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000858580303 730429162 /nfs/dbraw/zinc/42/91/62/730429162.db2.gz MXTUIJPPHIIIJT-SFYZADRCSA-N 1 2 365.655 2.867 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000862526252 730706449 /nfs/dbraw/zinc/70/64/49/730706449.db2.gz QWLJEPCJMRSIRR-CVEARBPZSA-N 1 2 354.491 2.823 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000862526252 730706452 /nfs/dbraw/zinc/70/64/52/730706452.db2.gz QWLJEPCJMRSIRR-CVEARBPZSA-N 1 2 354.491 2.823 20 10 FFCDLO O=C1NCCN1Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000877735623 732421522 /nfs/dbraw/zinc/42/15/22/732421522.db2.gz ZWYCDYUVGKDEJF-UHFFFAOYSA-N 1 2 363.820 3.000 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000781910351 738671384 /nfs/dbraw/zinc/67/13/84/738671384.db2.gz UPZNCTKCGAIAEC-HUUCEWRRSA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000781910351 738671389 /nfs/dbraw/zinc/67/13/89/738671389.db2.gz UPZNCTKCGAIAEC-HUUCEWRRSA-N 1 2 356.260 2.843 20 10 FFCDLO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)cc(Cl)c1O ZINC000927136762 738695450 /nfs/dbraw/zinc/69/54/50/738695450.db2.gz SBLTUNHGZHJHGL-SDBXPKJASA-N 1 2 374.666 2.926 20 10 FFCDLO O=C(CC[NH2+]Cc1cc(Br)cc(F)c1O)N1CCCCC1 ZINC000882899989 733309102 /nfs/dbraw/zinc/30/91/02/733309102.db2.gz AUFYXQBMVARBMI-UHFFFAOYSA-N 1 2 359.239 2.786 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000883015923 733321469 /nfs/dbraw/zinc/32/14/69/733321469.db2.gz ITMVUIDTXPZPNA-CYBMUJFWSA-N 1 2 364.667 2.685 20 10 FFCDLO COCCOC[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894070155 734796225 /nfs/dbraw/zinc/79/62/25/734796225.db2.gz OXXUJSYCOQNUMC-LLVKDONJSA-N 1 2 362.239 2.779 20 10 FFCDLO COCCOC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894070155 734796229 /nfs/dbraw/zinc/79/62/29/734796229.db2.gz OXXUJSYCOQNUMC-LLVKDONJSA-N 1 2 362.239 2.779 20 10 FFCDLO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2O)CN1 ZINC000894093571 734800154 /nfs/dbraw/zinc/80/01/54/734800154.db2.gz FTQUYTPXIIAGIV-HZMBPMFUSA-N 1 2 371.250 2.784 20 10 FFCDLO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)cc(F)c2O)CN1 ZINC000894093571 734800158 /nfs/dbraw/zinc/80/01/58/734800158.db2.gz FTQUYTPXIIAGIV-HZMBPMFUSA-N 1 2 371.250 2.784 20 10 FFCDLO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC000894096671 734801123 /nfs/dbraw/zinc/80/11/23/734801123.db2.gz YLBFZYDCVFKSQI-NSHDSACASA-N 1 2 359.239 2.594 20 10 FFCDLO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(Br)cc(F)c2O)C1 ZINC000894096671 734801125 /nfs/dbraw/zinc/80/11/25/734801125.db2.gz YLBFZYDCVFKSQI-NSHDSACASA-N 1 2 359.239 2.594 20 10 FFCDLO Cc1cn(C(C)(C)C(=O)NCc2cccc(Br)c2O)c[nH+]1 ZINC000897575949 735250593 /nfs/dbraw/zinc/25/05/93/735250593.db2.gz AAKPPTPQMILEOA-UHFFFAOYSA-N 1 2 352.232 2.711 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)C1CCCCC1 ZINC000789348116 739340756 /nfs/dbraw/zinc/34/07/56/739340756.db2.gz JUVIWFKEXSMLSQ-KRWDZBQOSA-N 1 2 355.862 2.962 20 10 FFCDLO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756419643 736329559 /nfs/dbraw/zinc/32/95/59/736329559.db2.gz WCNJVKJMVDPRSD-QWRGUYRKSA-N 1 2 361.255 2.665 20 10 FFCDLO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756554160 736342104 /nfs/dbraw/zinc/34/21/04/736342104.db2.gz OFAVXPZEDFTQOB-GHMZBOCLSA-N 1 2 361.255 2.665 20 10 FFCDLO O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc2[nH+]ccn21 ZINC000770659953 737649684 /nfs/dbraw/zinc/64/96/84/737649684.db2.gz VWOBKDVJDXKFTG-UHFFFAOYSA-N 1 2 352.463 2.818 20 10 FFCDLO OC[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C1CC1 ZINC000776176652 738168518 /nfs/dbraw/zinc/16/85/18/738168518.db2.gz ARRCIMSEDDFBLE-NSHDSACASA-N 1 2 365.065 2.778 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922594782 738170774 /nfs/dbraw/zinc/17/07/74/738170774.db2.gz OBWLPXLXHPMZTP-UHFFFAOYSA-N 1 2 374.250 2.705 20 10 FFCDLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000787440629 739137109 /nfs/dbraw/zinc/13/71/09/739137109.db2.gz LDDLUPQASORWRF-CQSZACIVSA-N 1 2 350.434 2.578 20 10 FFCDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000787440629 739137112 /nfs/dbraw/zinc/13/71/12/739137112.db2.gz LDDLUPQASORWRF-CQSZACIVSA-N 1 2 350.434 2.578 20 10 FFCDLO Oc1c(Br)cccc1CNc1[nH+]cccc1N1CCOCC1 ZINC000795789087 740063920 /nfs/dbraw/zinc/06/39/20/740063920.db2.gz GVZPIAQLSCEQBL-UHFFFAOYSA-N 1 2 364.243 2.998 20 10 FFCDLO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(F)c1O)CCc1ccccc1 ZINC000800543683 740532911 /nfs/dbraw/zinc/53/29/11/740532911.db2.gz ICNCBQAMXNPWBU-UHFFFAOYSA-N 1 2 371.861 2.932 20 10 FFCDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)no1 ZINC000810049486 741376969 /nfs/dbraw/zinc/37/69/69/741376969.db2.gz WVLSRBYNBOXPFF-UHFFFAOYSA-N 1 2 350.346 2.533 20 10 FFCDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000824933929 743180879 /nfs/dbraw/zinc/18/08/79/743180879.db2.gz LFNGTXWJRSADJW-GFCCVEGCSA-N 1 2 351.248 2.961 20 10 FFCDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000824933929 743180881 /nfs/dbraw/zinc/18/08/81/743180881.db2.gz LFNGTXWJRSADJW-GFCCVEGCSA-N 1 2 351.248 2.961 20 10 FFCDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)n[nH]1 ZINC000824933929 743180885 /nfs/dbraw/zinc/18/08/85/743180885.db2.gz LFNGTXWJRSADJW-GFCCVEGCSA-N 1 2 351.248 2.961 20 10 FFCDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)n[nH]1 ZINC000824933929 743180888 /nfs/dbraw/zinc/18/08/88/743180888.db2.gz LFNGTXWJRSADJW-GFCCVEGCSA-N 1 2 351.248 2.961 20 10 FFCDLO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(Br)cc1O)C2 ZINC000826075433 743364873 /nfs/dbraw/zinc/36/48/73/743364873.db2.gz UNGKOBDVDPWKAU-HNNXBMFYSA-N 1 2 374.300 2.555 20 10 FFCDLO O=S1(=O)CC[C@@]2(C1)CCC[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000826075433 743364882 /nfs/dbraw/zinc/36/48/82/743364882.db2.gz UNGKOBDVDPWKAU-HNNXBMFYSA-N 1 2 374.300 2.555 20 10 FFCDLO COC[C@](C)(O)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834844579 745913459 /nfs/dbraw/zinc/91/34/59/745913459.db2.gz RMSPKTHFULRQNB-LKFCYVNXSA-N 1 2 350.228 2.732 20 10 FFCDLO C[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1O ZINC000841765435 747453386 /nfs/dbraw/zinc/45/33/86/747453386.db2.gz YCINUTKJFFGTJK-CYBMUJFWSA-N 1 2 353.894 2.639 20 10 FFCDLO C[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)Cn1cc[nH+]c1 ZINC000844175531 747983870 /nfs/dbraw/zinc/98/38/70/747983870.db2.gz JCOQDOACVLRLAV-CYBMUJFWSA-N 1 2 355.467 2.579 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)CCS(=O)(=O)c2ccccc2)cc1 ZINC000844398778 748021006 /nfs/dbraw/zinc/02/10/06/748021006.db2.gz CCOBRDIXIBKXJC-UHFFFAOYSA-N 1 2 362.495 2.537 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)CCS(=O)(=O)c2ccccc2)cc1 ZINC000844398778 748021015 /nfs/dbraw/zinc/02/10/15/748021015.db2.gz CCOBRDIXIBKXJC-UHFFFAOYSA-N 1 2 362.495 2.537 20 10 FFCDLO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)c(F)cc1O ZINC000846214289 748431858 /nfs/dbraw/zinc/43/18/58/748431858.db2.gz UYFVVTLVBXHBDO-MEBBXXQBSA-N 1 2 362.239 2.876 20 10 FFCDLO COC[C@H](CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)OC ZINC000850485977 749372108 /nfs/dbraw/zinc/37/21/08/749372108.db2.gz PGNHXFKXWHXIBG-ONGXEEELSA-N 1 2 350.228 2.996 20 10 FFCDLO COC[C@@H](CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)OC ZINC000850485974 749372291 /nfs/dbraw/zinc/37/22/91/749372291.db2.gz PGNHXFKXWHXIBG-GXSJLCMTSA-N 1 2 350.228 2.996 20 10 FFCDLO O=C(C1CC1)N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048797086 845179194 /nfs/dbraw/zinc/17/91/94/845179194.db2.gz UPXORVIFFGRVFL-UHFFFAOYSA-N 1 2 353.260 2.645 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000822205999 945990958 /nfs/dbraw/zinc/99/09/58/945990958.db2.gz QFGWKUFSWSWPLK-UHFFFAOYSA-N 1 2 359.437 2.823 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+](C)C3CC(O)C3)c2C)cc1 ZINC000759872891 971862555 /nfs/dbraw/zinc/86/25/55/971862555.db2.gz HVRPIPWAGXEXIN-UHFFFAOYSA-N 1 2 370.449 2.519 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+](C)C3CC(O)C3)c2C)cc1 ZINC000759872891 971862560 /nfs/dbraw/zinc/86/25/60/971862560.db2.gz HVRPIPWAGXEXIN-UHFFFAOYSA-N 1 2 370.449 2.519 20 10 FFCDLO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(F)c(F)cc2O)[nH]1 ZINC001279108461 963885764 /nfs/dbraw/zinc/88/57/64/963885764.db2.gz VCMYAIDEZVVQTI-IRXDYDNUSA-N 1 2 361.392 2.620 20 10 FFCDLO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)c(F)cc2O)[nH]1 ZINC001279108461 963885768 /nfs/dbraw/zinc/88/57/68/963885768.db2.gz VCMYAIDEZVVQTI-IRXDYDNUSA-N 1 2 361.392 2.620 20 10 FFCDLO O=c1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(F)c(F)cc2O)[nH]1 ZINC001279108461 963885772 /nfs/dbraw/zinc/88/57/72/963885772.db2.gz VCMYAIDEZVVQTI-IRXDYDNUSA-N 1 2 361.392 2.620 20 10 FFCDLO O=c1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(F)c(F)cc2O)[nH]1 ZINC001279108461 963885775 /nfs/dbraw/zinc/88/57/75/963885775.db2.gz VCMYAIDEZVVQTI-IRXDYDNUSA-N 1 2 361.392 2.620 20 10 FFCDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001176859258 1013788108 /nfs/dbraw/zinc/78/81/08/1013788108.db2.gz BCTDUFWOKOWBMA-GOSISDBHSA-N 1 2 363.502 2.820 20 10 FFCDLO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001176859258 1013788113 /nfs/dbraw/zinc/78/81/13/1013788113.db2.gz BCTDUFWOKOWBMA-GOSISDBHSA-N 1 2 363.502 2.820 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527192 982580506 /nfs/dbraw/zinc/58/05/06/982580506.db2.gz NTWHNFHOBCADCL-ZDUSSCGKSA-N 1 2 356.413 2.566 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527192 982580513 /nfs/dbraw/zinc/58/05/13/982580513.db2.gz NTWHNFHOBCADCL-ZDUSSCGKSA-N 1 2 356.413 2.566 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCC1 ZINC000651111527 1014986412 /nfs/dbraw/zinc/98/64/12/1014986412.db2.gz IAXXHUQEUHPCQS-HNNXBMFYSA-N 1 2 366.465 2.930 20 10 FFCDLO CN(Cc1ccc(N2CCOCC2)cc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000171812821 985406328 /nfs/dbraw/zinc/40/63/28/985406328.db2.gz RUFBCIBQHAUTRD-UHFFFAOYSA-N 1 2 367.497 2.940 20 10 FFCDLO CN(Cc1ccc(N2CCOCC2)cc1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000171812821 985406331 /nfs/dbraw/zinc/40/63/31/985406331.db2.gz RUFBCIBQHAUTRD-UHFFFAOYSA-N 1 2 367.497 2.940 20 10 FFCDLO CCC(CC)[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)[NH+]1CCOCC1 ZINC000173132212 985759267 /nfs/dbraw/zinc/75/92/67/985759267.db2.gz UIGXORUGDZYBGM-IFXJQAMLSA-N 1 2 364.486 2.715 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000916984568 990086460 /nfs/dbraw/zinc/08/64/60/990086460.db2.gz IRBTWMGSEKTSNY-PXNSSMCTSA-N 1 2 359.514 2.854 20 10 FFCDLO Cn1c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nnc1C1CCC1 ZINC000181461135 991772611 /nfs/dbraw/zinc/77/26/11/991772611.db2.gz BMHDIOQHATZLNB-KRWDZBQOSA-N 1 2 356.470 2.969 20 10 FFCDLO Cn1c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nnc1C1CCC1 ZINC000181461135 991772616 /nfs/dbraw/zinc/77/26/16/991772616.db2.gz BMHDIOQHATZLNB-KRWDZBQOSA-N 1 2 356.470 2.969 20 10 FFCDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)c1 ZINC000182381363 992026090 /nfs/dbraw/zinc/02/60/90/992026090.db2.gz YDMWRNNESDTGMH-OAHLLOKOSA-N 1 2 370.449 2.934 20 10 FFCDLO COc1ccc(N(C)CCN(C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000845266329 998454315 /nfs/dbraw/zinc/45/43/15/998454315.db2.gz KUPUOHYPDGQFQH-UHFFFAOYSA-N 1 2 356.470 2.985 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)c(C)n1-c1ccc(F)cc1 ZINC000734485314 999296340 /nfs/dbraw/zinc/29/63/40/999296340.db2.gz HRAWGOXRDLIOCW-LJQANCHMSA-N 1 2 374.456 2.889 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](OCCO)C2)c(C)n1-c1ccc(F)cc1 ZINC000734485314 999296342 /nfs/dbraw/zinc/29/63/42/999296342.db2.gz HRAWGOXRDLIOCW-LJQANCHMSA-N 1 2 374.456 2.889 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)c3c[nH]c4ncccc34)CC2)cc1 ZINC000767360967 1000111636 /nfs/dbraw/zinc/11/16/36/1000111636.db2.gz LNSQXIORPMQCEI-OAHLLOKOSA-N 1 2 364.449 2.965 20 10 FFCDLO COc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc(O)c1O ZINC001193081074 1004364351 /nfs/dbraw/zinc/36/43/51/1004364351.db2.gz KOEFHMDOZMCHHJ-VMPITWQZSA-N 1 2 368.433 2.578 20 10 FFCDLO COc1cc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(O)c1O ZINC001193098392 1004372807 /nfs/dbraw/zinc/37/28/07/1004372807.db2.gz RHDFRMUCEWRFIP-UHFFFAOYSA-N 1 2 353.378 2.564 20 10 FFCDLO COC(=O)CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000851715635 1005908419 /nfs/dbraw/zinc/90/84/19/1005908419.db2.gz ABNIOPKOMPKMBF-GOSISDBHSA-N 1 2 362.470 2.604 20 10 FFCDLO COC(=O)CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000851715635 1005908423 /nfs/dbraw/zinc/90/84/23/1005908423.db2.gz ABNIOPKOMPKMBF-GOSISDBHSA-N 1 2 362.470 2.604 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2)cc1 ZINC000854301123 1006766273 /nfs/dbraw/zinc/76/62/73/1006766273.db2.gz ITVNXSRNCXPDAF-HZPDHXFCSA-N 1 2 369.469 2.586 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000858513660 1008372564 /nfs/dbraw/zinc/37/25/64/1008372564.db2.gz MYJDALMKICXFDX-AWEZNQCLSA-N 1 2 350.422 2.922 20 10 FFCDLO CN(CC(=O)NCc1cc(Cl)c2cccnc2c1O)c1cccc[nH+]1 ZINC001177413428 1008603080 /nfs/dbraw/zinc/60/30/80/1008603080.db2.gz CFJKNPDUQGWWBO-UHFFFAOYSA-N 1 2 356.813 2.741 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2[nH]c[nH+]c2C)cc1 ZINC000859798855 1008669489 /nfs/dbraw/zinc/66/94/89/1008669489.db2.gz IHPQSTTXJBJCID-UHFFFAOYSA-N 1 2 350.422 2.797 20 10 FFCDLO COc1cc(N2CC[NH+]([C@H](C)c3cnc(C)cn3)CC2)cc(OC)c1OC ZINC000794494192 1010122011 /nfs/dbraw/zinc/12/20/11/1010122011.db2.gz FBXDVVWXLNANHG-OAHLLOKOSA-N 1 2 372.469 2.694 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(F)cc(F)c1O ZINC000866492117 1011003096 /nfs/dbraw/zinc/00/30/96/1011003096.db2.gz DLLYDBIYKYWPER-VQISRLSMSA-N 1 2 372.412 2.691 20 10 FFCDLO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001275229129 1012109492 /nfs/dbraw/zinc/10/94/92/1012109492.db2.gz IRJKVFZTTNELSW-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(F)cc1F ZINC001275229129 1012109497 /nfs/dbraw/zinc/10/94/97/1012109497.db2.gz IRJKVFZTTNELSW-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3[nH]nc4ccccc43)CC2)c(OC)c1 ZINC001137351551 1017678489 /nfs/dbraw/zinc/67/84/89/1017678489.db2.gz DCQZIDXCYRTMGO-UHFFFAOYSA-N 1 2 352.438 2.902 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3n[nH]c4ccccc43)CC2)c(OC)c1 ZINC001137351551 1017678501 /nfs/dbraw/zinc/67/85/01/1017678501.db2.gz DCQZIDXCYRTMGO-UHFFFAOYSA-N 1 2 352.438 2.902 20 10 FFCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(F)cc3F)C1)[C@H](O)CO2 ZINC000777570932 1017810500 /nfs/dbraw/zinc/81/05/00/1017810500.db2.gz ZVVCVRFECQSSBY-MJGOQNOKSA-N 1 2 363.360 2.670 20 10 FFCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(F)cc3F)C1)[C@H](O)CO2 ZINC000777570932 1017810517 /nfs/dbraw/zinc/81/05/17/1017810517.db2.gz ZVVCVRFECQSSBY-MJGOQNOKSA-N 1 2 363.360 2.670 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCOCC3(CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828771127 1032830859 /nfs/dbraw/zinc/83/08/59/1032830859.db2.gz PLZYCBXQKYLVJJ-UHFFFAOYSA-N 1 2 357.429 2.923 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCOCC3(CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828771127 1032830879 /nfs/dbraw/zinc/83/08/79/1032830879.db2.gz PLZYCBXQKYLVJJ-UHFFFAOYSA-N 1 2 357.429 2.923 20 10 FFCDLO CC(C)OCc1noc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000930209809 1019923416 /nfs/dbraw/zinc/92/34/16/1019923416.db2.gz JCUQOSVNAUGNDZ-HNNXBMFYSA-N 1 2 360.458 2.682 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NCc3ccccc3C)CC2)cc1 ZINC000042289924 1022160670 /nfs/dbraw/zinc/16/06/70/1022160670.db2.gz JVTFKIBXVYOAEJ-GOSISDBHSA-N 1 2 367.493 2.831 20 10 FFCDLO Cc1nc2[nH]ccc2c(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[nH+]1 ZINC000751218796 1022772368 /nfs/dbraw/zinc/77/23/68/1022772368.db2.gz INLYAZVFHQDWED-OAHLLOKOSA-N 1 2 364.453 2.580 20 10 FFCDLO Nc1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC001120677398 1023417833 /nfs/dbraw/zinc/41/78/33/1023417833.db2.gz PVXJHALKMMLABZ-UHFFFAOYSA-N 1 2 353.470 2.891 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C(=O)N(C)C)c3ccccc3)CC2)cc1F ZINC000084866891 1025152583 /nfs/dbraw/zinc/15/25/83/1025152583.db2.gz IEGPELXURLFIDU-FQEVSTJZSA-N 1 2 371.456 2.786 20 10 FFCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)cc1 ZINC000839953136 1026880573 /nfs/dbraw/zinc/88/05/73/1026880573.db2.gz OPSQQOGXONXSDQ-JQZBISMTSA-N 1 2 355.482 2.563 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)cc1 ZINC000839953136 1026880581 /nfs/dbraw/zinc/88/05/81/1026880581.db2.gz OPSQQOGXONXSDQ-JQZBISMTSA-N 1 2 355.482 2.563 20 10 FFCDLO O=C(Cc1ccsc1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203665440 1030814839 /nfs/dbraw/zinc/81/48/39/1030814839.db2.gz JXXUEGHTGSZAQO-UHFFFAOYSA-N 1 2 350.871 2.994 20 10 FFCDLO COc1cc(C[N@H+](C)Cc2cncc(Br)c2)cc(O)c1O ZINC001204347110 1031243708 /nfs/dbraw/zinc/24/37/08/1031243708.db2.gz NAYOJIBAGWJCRU-UHFFFAOYSA-N 1 2 353.216 2.896 20 10 FFCDLO COc1cc(C[N@@H+](C)Cc2cncc(Br)c2)cc(O)c1O ZINC001204347110 1031243715 /nfs/dbraw/zinc/24/37/15/1031243715.db2.gz NAYOJIBAGWJCRU-UHFFFAOYSA-N 1 2 353.216 2.896 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)Cc2nnn(C)c21 ZINC001138218322 1033970694 /nfs/dbraw/zinc/97/06/94/1033970694.db2.gz GTJFZJAAGSGKCC-GOSISDBHSA-N 1 2 369.513 2.941 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)Cc2nnn(C)c21 ZINC001138218322 1033970701 /nfs/dbraw/zinc/97/07/01/1033970701.db2.gz GTJFZJAAGSGKCC-GOSISDBHSA-N 1 2 369.513 2.941 20 10 FFCDLO CN(C(=O)OC(C)(C)C)C1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495622 1034333641 /nfs/dbraw/zinc/33/36/41/1034333641.db2.gz ZWKHTGXMXBPWFG-UHFFFAOYSA-N 1 2 361.486 2.574 20 10 FFCDLO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2c(O)ccc(F)c2F)C1=O ZINC001277098102 1034521767 /nfs/dbraw/zinc/52/17/67/1034521767.db2.gz OIKOVPNYYMVSCD-LJQANCHMSA-N 1 2 368.424 2.662 20 10 FFCDLO COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2c(O)ccc(F)c2F)C1=O ZINC001277098102 1034521774 /nfs/dbraw/zinc/52/17/74/1034521774.db2.gz OIKOVPNYYMVSCD-LJQANCHMSA-N 1 2 368.424 2.662 20 10 FFCDLO CN(C)c1ccc(CN2CC[C@]3(CCC[N@@H+]3Cc3cnsc3)C2=O)cc1 ZINC001277649660 1035600552 /nfs/dbraw/zinc/60/05/52/1035600552.db2.gz MEASJJWJYXBUSM-HXUWFJFHSA-N 1 2 370.522 2.976 20 10 FFCDLO CN(C)c1ccc(CN2CC[C@]3(CCC[N@H+]3Cc3cnsc3)C2=O)cc1 ZINC001277649660 1035600561 /nfs/dbraw/zinc/60/05/61/1035600561.db2.gz MEASJJWJYXBUSM-HXUWFJFHSA-N 1 2 370.522 2.976 20 10 FFCDLO CCN(Cc1cc(O)c(O)c(O)c1)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233016141 1036251699 /nfs/dbraw/zinc/25/16/99/1036251699.db2.gz NWMWDJGRFMLVJZ-GOSISDBHSA-N 1 2 372.465 2.526 20 10 FFCDLO CCN(Cc1cc(O)c(O)c(O)c1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233016141 1036251709 /nfs/dbraw/zinc/25/17/09/1036251709.db2.gz NWMWDJGRFMLVJZ-GOSISDBHSA-N 1 2 372.465 2.526 20 10 FFCDLO COC(=O)c1ccccc1N1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233335081 1036540295 /nfs/dbraw/zinc/54/02/95/1036540295.db2.gz GRAMRFUPXMGINJ-UHFFFAOYSA-N 1 2 362.376 2.779 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388330 1036680617 /nfs/dbraw/zinc/68/06/17/1036680617.db2.gz ULTQGTNHKSZFAJ-VOJFVSQTSA-N 1 2 368.836 2.587 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001277388330 1036680620 /nfs/dbraw/zinc/68/06/20/1036680620.db2.gz ULTQGTNHKSZFAJ-VOJFVSQTSA-N 1 2 368.836 2.587 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c(OC)c1 ZINC001141027334 1036760234 /nfs/dbraw/zinc/76/02/34/1036760234.db2.gz WQITYTAMHQCJMP-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c(OC)c1 ZINC001141028462 1036767180 /nfs/dbraw/zinc/76/71/80/1036767180.db2.gz PIYUACMHUCPBFH-UHFFFAOYSA-N 1 2 374.412 2.507 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)c(Cl)c1 ZINC001277833251 1036930481 /nfs/dbraw/zinc/93/04/81/1036930481.db2.gz FPNFMZBSGHHJID-KRWDZBQOSA-N 1 2 374.815 2.886 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)c(Cl)c1 ZINC001277833251 1036930483 /nfs/dbraw/zinc/93/04/83/1036930483.db2.gz FPNFMZBSGHHJID-KRWDZBQOSA-N 1 2 374.815 2.886 20 10 FFCDLO CC[N@@H+]1CCC[C@@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234752336 1037169850 /nfs/dbraw/zinc/16/98/50/1037169850.db2.gz HAJCSXDLLSJBHM-GFCCVEGCSA-N 1 2 371.389 2.926 20 10 FFCDLO CC[N@H+]1CCC[C@@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234752336 1037169858 /nfs/dbraw/zinc/16/98/58/1037169858.db2.gz HAJCSXDLLSJBHM-GFCCVEGCSA-N 1 2 371.389 2.926 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507866 1037540337 /nfs/dbraw/zinc/54/03/37/1037540337.db2.gz RVMRKIRDDFHMON-ZMZPIMSZSA-N 1 2 368.836 2.587 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507866 1037540347 /nfs/dbraw/zinc/54/03/47/1037540347.db2.gz RVMRKIRDDFHMON-ZMZPIMSZSA-N 1 2 368.836 2.587 20 10 FFCDLO O=C1C[C@@]2(CN1C1COC1)CCCC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277510645 1037554221 /nfs/dbraw/zinc/55/42/21/1037554221.db2.gz PUAWZCGYTGDVSM-GOSISDBHSA-N 1 2 368.836 2.541 20 10 FFCDLO O=C1C[C@@]2(CN1C1COC1)CCCC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277510645 1037554226 /nfs/dbraw/zinc/55/42/26/1037554226.db2.gz PUAWZCGYTGDVSM-GOSISDBHSA-N 1 2 368.836 2.541 20 10 FFCDLO COc1cc(C[NH+]2CCN(C[C@H](OC)c3ccccc3)CC2)c(O)cc1O ZINC001231638859 1037762491 /nfs/dbraw/zinc/76/24/91/1037762491.db2.gz HKCSKALEILSBOC-NRFANRHFSA-N 1 2 372.465 2.612 20 10 FFCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(N)cc1 ZINC001236302656 1038032265 /nfs/dbraw/zinc/03/22/65/1038032265.db2.gz AHDRRDDBKIZWBP-FQEVSTJZSA-N 1 2 353.466 2.518 20 10 FFCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(N)cc1 ZINC001236302656 1038032284 /nfs/dbraw/zinc/03/22/84/1038032284.db2.gz AHDRRDDBKIZWBP-FQEVSTJZSA-N 1 2 353.466 2.518 20 10 FFCDLO CCc1ccc(C[NH+]2CC3(C2)CN(C(=O)OC(C)(C)C)CCO3)c(O)c1 ZINC001236785150 1038265602 /nfs/dbraw/zinc/26/56/02/1038265602.db2.gz GBJTVZBLQYCRNK-UHFFFAOYSA-N 1 2 362.470 2.776 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(OCC)cc2O)Cc2nnn(CC)c21 ZINC001237040342 1038417942 /nfs/dbraw/zinc/41/79/42/1038417942.db2.gz HLDKHMKEVKCITR-HNNXBMFYSA-N 1 2 360.458 2.538 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OCC)cc2O)Cc2nnn(CC)c21 ZINC001237040342 1038417950 /nfs/dbraw/zinc/41/79/50/1038417950.db2.gz HLDKHMKEVKCITR-HNNXBMFYSA-N 1 2 360.458 2.538 20 10 FFCDLO CN(C1CC[NH+](Cc2c(O)ccc(Cl)c2Cl)CC1)S(C)(=O)=O ZINC001237080860 1038438272 /nfs/dbraw/zinc/43/82/72/1038438272.db2.gz GNAJQVLQCIFKHC-UHFFFAOYSA-N 1 2 367.298 2.555 20 10 FFCDLO Cc1cc(C)nc(N2CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)n1 ZINC001237125461 1038450654 /nfs/dbraw/zinc/45/06/54/1038450654.db2.gz RKPUUYVGHWJFIU-UHFFFAOYSA-N 1 2 350.825 2.914 20 10 FFCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001279074164 1039164139 /nfs/dbraw/zinc/16/41/39/1039164139.db2.gz LSNLIYXHNZPTML-OKILXGFUSA-N 1 2 361.829 2.568 20 10 FFCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001279074164 1039164144 /nfs/dbraw/zinc/16/41/44/1039164144.db2.gz LSNLIYXHNZPTML-OKILXGFUSA-N 1 2 361.829 2.568 20 10 FFCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252235 1040654037 /nfs/dbraw/zinc/65/40/37/1040654037.db2.gz JINBGZMNBMHDCX-MUJYYYPQSA-N 1 2 373.449 2.729 20 10 FFCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252235 1040654044 /nfs/dbraw/zinc/65/40/44/1040654044.db2.gz JINBGZMNBMHDCX-MUJYYYPQSA-N 1 2 373.449 2.729 20 10 FFCDLO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2ccc(F)c(F)c2O)c1 ZINC001237453327 1043175838 /nfs/dbraw/zinc/17/58/38/1043175838.db2.gz RNDINCAJMXVCMW-MRXNPFEDSA-N 1 2 362.376 2.604 20 10 FFCDLO COc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2scnc2C)c(C)c1 ZINC001279769451 1043613688 /nfs/dbraw/zinc/61/36/88/1043613688.db2.gz WVPRLSAAAZFOFO-MSOLQXFVSA-N 1 2 359.495 2.858 20 10 FFCDLO COc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2scnc2C)c(C)c1 ZINC001279769451 1043613690 /nfs/dbraw/zinc/61/36/90/1043613690.db2.gz WVPRLSAAAZFOFO-MSOLQXFVSA-N 1 2 359.495 2.858 20 10 FFCDLO C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC001311912321 1044000172 /nfs/dbraw/zinc/00/01/72/1044000172.db2.gz AFMPIRWZLQLGLR-QZTJIDSGSA-N 1 2 374.529 2.537 20 10 FFCDLO CCN(C(=O)c1[nH]nc2c1C[N@H+](Cc1cc(F)ccc1O)CC2)C(C)C ZINC001280292971 1044562029 /nfs/dbraw/zinc/56/20/29/1044562029.db2.gz FSVRVMWYRGYJHN-UHFFFAOYSA-N 1 2 360.433 2.683 20 10 FFCDLO CCN(C(=O)c1[nH]nc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2)C(C)C ZINC001280292971 1044562039 /nfs/dbraw/zinc/56/20/39/1044562039.db2.gz FSVRVMWYRGYJHN-UHFFFAOYSA-N 1 2 360.433 2.683 20 10 FFCDLO COCCC[N@H+](CCO)Cc1cc(Cl)cc(Br)c1O ZINC001332706129 1046389615 /nfs/dbraw/zinc/38/96/15/1046389615.db2.gz CSYCXNCJRVTYNS-UHFFFAOYSA-N 1 2 352.656 2.639 20 10 FFCDLO COCCC[N@@H+](CCO)Cc1cc(Cl)cc(Br)c1O ZINC001332706129 1046389623 /nfs/dbraw/zinc/38/96/23/1046389623.db2.gz CSYCXNCJRVTYNS-UHFFFAOYSA-N 1 2 352.656 2.639 20 10 FFCDLO CC[C@@H](C(=O)NCCCSc1nccs1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001542956216 1071345987 /nfs/dbraw/zinc/34/59/87/1071345987.db2.gz NWFQUXXPZJMCNM-KBPBESRZSA-N 1 2 357.545 2.631 20 10 FFCDLO CC[C@@H](C(=O)NCCCSc1nccs1)[N@H+]1CCO[C@@H](CC)C1 ZINC001542956216 1071345995 /nfs/dbraw/zinc/34/59/95/1071345995.db2.gz NWFQUXXPZJMCNM-KBPBESRZSA-N 1 2 357.545 2.631 20 10 FFCDLO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001461007166 1061184276 /nfs/dbraw/zinc/18/42/76/1061184276.db2.gz MRXJADZVRLICDP-UHFFFAOYSA-N 1 2 369.824 2.529 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589964345 1080908033 /nfs/dbraw/zinc/90/80/33/1080908033.db2.gz QTXLTIPUJVOJPF-OLZOCXBDSA-N 1 2 351.410 2.789 20 10 FFCDLO C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589978614 1080917585 /nfs/dbraw/zinc/91/75/85/1080917585.db2.gz VRCBPFGUBVIQRJ-BONVTDFDSA-N 1 2 355.373 2.886 20 10 FFCDLO C[NH2+]C[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000853249321 750037445 /nfs/dbraw/zinc/03/74/45/750037445.db2.gz PNGPIROLVHPRKH-SSDOTTSWSA-N 1 2 352.070 2.615 20 10 FFCDLO CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000236979011 509546419 /nfs/dbraw/zinc/54/64/19/509546419.db2.gz NOWKWNZXBQGCHT-UHFFFAOYSA-N 1 2 353.466 2.554 20 10 FFCDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264522661 509579504 /nfs/dbraw/zinc/57/95/04/509579504.db2.gz AVPNSLIUEAEDQG-ZZXKWVIFSA-N 1 2 366.465 2.666 20 10 FFCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000249684591 509734454 /nfs/dbraw/zinc/73/44/54/509734454.db2.gz KWHOWUKNLSTQAH-LJQANCHMSA-N 1 2 357.429 2.573 20 10 FFCDLO COc1ccc(N2CCC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000249684591 509734455 /nfs/dbraw/zinc/73/44/55/509734455.db2.gz KWHOWUKNLSTQAH-LJQANCHMSA-N 1 2 357.429 2.573 20 10 FFCDLO COCCc1noc(C[N@H+](C)Cc2cc(Br)cc(C)c2O)n1 ZINC000180376062 509892675 /nfs/dbraw/zinc/89/26/75/509892675.db2.gz ACSVLEYMIKSWCG-UHFFFAOYSA-N 1 2 370.247 2.667 20 10 FFCDLO COCCc1noc(C[N@@H+](C)Cc2cc(Br)cc(C)c2O)n1 ZINC000180376062 509892682 /nfs/dbraw/zinc/89/26/82/509892682.db2.gz ACSVLEYMIKSWCG-UHFFFAOYSA-N 1 2 370.247 2.667 20 10 FFCDLO CN(C)c1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c[nH+]1 ZINC000265950422 510319362 /nfs/dbraw/zinc/31/93/62/510319362.db2.gz UAEFGEPTVAHFLN-UHFFFAOYSA-N 1 2 351.454 2.523 20 10 FFCDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187694028 510390600 /nfs/dbraw/zinc/39/06/00/510390600.db2.gz NABXYNQFAGXHLV-MNOVXSKESA-N 1 2 370.421 2.990 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000276907084 510949689 /nfs/dbraw/zinc/94/96/89/510949689.db2.gz OGTXLPTWSLGSIX-SJKOYZFVSA-N 1 2 373.384 2.891 20 10 FFCDLO COc1c(O)c(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278269925 510986390 /nfs/dbraw/zinc/98/63/90/510986390.db2.gz RKLVOXGKUNFIFN-VWLOTQADSA-N 1 2 364.423 2.678 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278269925 510986393 /nfs/dbraw/zinc/98/63/93/510986393.db2.gz RKLVOXGKUNFIFN-VWLOTQADSA-N 1 2 364.423 2.678 20 10 FFCDLO COc1c(O)c(C[NH2+]Cc2nc3cc(C)ccc3n2C)ccc1[N+](=O)[O-] ZINC000278538178 510997137 /nfs/dbraw/zinc/99/71/37/510997137.db2.gz WRBQKHLBMYIKHO-UHFFFAOYSA-N 1 2 356.382 2.794 20 10 FFCDLO COc1cc(O)c(CNc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000294857146 511200735 /nfs/dbraw/zinc/20/07/35/511200735.db2.gz VIYZTPBFHCBKPY-UHFFFAOYSA-N 1 2 358.438 2.854 20 10 FFCDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000271774489 511319796 /nfs/dbraw/zinc/31/97/96/511319796.db2.gz FXYVWZISTDUXIQ-INIZCTEOSA-N 1 2 357.406 2.509 20 10 FFCDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000271774489 511319801 /nfs/dbraw/zinc/31/98/01/511319801.db2.gz FXYVWZISTDUXIQ-INIZCTEOSA-N 1 2 357.406 2.509 20 10 FFCDLO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000292752553 511707615 /nfs/dbraw/zinc/70/76/15/511707615.db2.gz IOJVSTNNXGFYJU-PBHICJAKSA-N 1 2 353.846 2.836 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302883308 511718242 /nfs/dbraw/zinc/71/82/42/511718242.db2.gz JKFHCCZTTWREIE-SFHVURJKSA-N 1 2 355.486 2.814 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302883308 511718250 /nfs/dbraw/zinc/71/82/50/511718250.db2.gz JKFHCCZTTWREIE-SFHVURJKSA-N 1 2 355.486 2.814 20 10 FFCDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cc(Br)ccc1O ZINC000373705795 512466263 /nfs/dbraw/zinc/46/62/63/512466263.db2.gz BBPDAVYWCYRVEC-KBPBESRZSA-N 1 2 354.244 2.725 20 10 FFCDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000373705795 512466269 /nfs/dbraw/zinc/46/62/69/512466269.db2.gz BBPDAVYWCYRVEC-KBPBESRZSA-N 1 2 354.244 2.725 20 10 FFCDLO NC(=O)c1cc(OC2CC[NH+](Cc3cccc(Cl)c3O)CC2)ccn1 ZINC000367708036 512626153 /nfs/dbraw/zinc/62/61/53/512626153.db2.gz QNNBQGHDBCQFIV-UHFFFAOYSA-N 1 2 361.829 2.583 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)cc2)CC1 ZINC000372728679 513018669 /nfs/dbraw/zinc/01/86/69/513018669.db2.gz SFLSBAHGDXIJEZ-GOSISDBHSA-N 1 2 352.482 2.998 20 10 FFCDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866396 728426562 /nfs/dbraw/zinc/42/65/62/728426562.db2.gz DBFCMIDQKSMUFB-LSDHHAIUSA-N 1 2 351.466 2.650 20 10 FFCDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000093392556 728476008 /nfs/dbraw/zinc/47/60/08/728476008.db2.gz SXEKMPBYKSMITF-JTQLQIEISA-N 1 2 362.289 2.552 20 10 FFCDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000093392556 728476009 /nfs/dbraw/zinc/47/60/09/728476009.db2.gz SXEKMPBYKSMITF-JTQLQIEISA-N 1 2 362.289 2.552 20 10 FFCDLO C[C@@H](N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)C(F)(F)F ZINC000093882979 728478317 /nfs/dbraw/zinc/47/83/17/728478317.db2.gz DTFDSHKVYOPRSS-OAHLLOKOSA-N 1 2 357.420 2.592 20 10 FFCDLO O=C(CN1CC[NH+](Cc2c(O)cccc2Cl)CC1)Nc1ccccc1 ZINC000124714275 728673695 /nfs/dbraw/zinc/67/36/95/728673695.db2.gz GUABXYXEUKNVMK-UHFFFAOYSA-N 1 2 359.857 2.802 20 10 FFCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)Cc1ccccc1 ZINC000171938147 729015846 /nfs/dbraw/zinc/01/58/46/729015846.db2.gz SCHPCSAAXUXJME-QGZVFWFLSA-N 1 2 363.841 2.624 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)Cc1ccccc1 ZINC000171938147 729015849 /nfs/dbraw/zinc/01/58/49/729015849.db2.gz SCHPCSAAXUXJME-QGZVFWFLSA-N 1 2 363.841 2.624 20 10 FFCDLO CCCS(=O)(=O)CC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000174423315 729071766 /nfs/dbraw/zinc/07/17/66/729071766.db2.gz VCQYXRKFMLMFTQ-UHFFFAOYSA-N 1 2 364.305 2.801 20 10 FFCDLO CCCS(=O)(=O)CC[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000174423315 729071770 /nfs/dbraw/zinc/07/17/70/729071770.db2.gz VCQYXRKFMLMFTQ-UHFFFAOYSA-N 1 2 364.305 2.801 20 10 FFCDLO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000779196006 738442721 /nfs/dbraw/zinc/44/27/21/738442721.db2.gz MVODMGAAXRULME-MRVPVSSYSA-N 1 2 354.731 2.685 20 10 FFCDLO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000779196006 738442722 /nfs/dbraw/zinc/44/27/22/738442722.db2.gz MVODMGAAXRULME-MRVPVSSYSA-N 1 2 354.731 2.685 20 10 FFCDLO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(Cl)c1O ZINC000858498503 730427238 /nfs/dbraw/zinc/42/72/38/730427238.db2.gz QFCFKONIQGLITE-RRFJBIMHSA-N 1 2 360.907 2.947 20 10 FFCDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000872753230 731826910 /nfs/dbraw/zinc/82/69/10/731826910.db2.gz JYFVCGZKNNKNBC-MRXNPFEDSA-N 1 2 353.344 2.583 20 10 FFCDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000872753230 731826915 /nfs/dbraw/zinc/82/69/15/731826915.db2.gz JYFVCGZKNNKNBC-MRXNPFEDSA-N 1 2 353.344 2.583 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1F ZINC000877789829 732432165 /nfs/dbraw/zinc/43/21/65/732432165.db2.gz CSLYRWMOWJQAPG-JKSUJKDBSA-N 1 2 354.491 2.538 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1F ZINC000877789829 732432166 /nfs/dbraw/zinc/43/21/66/732432166.db2.gz CSLYRWMOWJQAPG-JKSUJKDBSA-N 1 2 354.491 2.538 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823133 732442032 /nfs/dbraw/zinc/44/20/32/732442032.db2.gz VCRJITZBQONDFQ-CABZTGNLSA-N 1 2 364.320 2.851 20 10 FFCDLO COc1c(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823133 732442038 /nfs/dbraw/zinc/44/20/38/732442038.db2.gz VCRJITZBQONDFQ-CABZTGNLSA-N 1 2 364.320 2.851 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)cc(F)c1O ZINC000926947524 738671810 /nfs/dbraw/zinc/67/18/10/738671810.db2.gz KENSLBJWCLSGGL-FTBFGRRBSA-N 1 2 360.223 2.748 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+](CC(N)=O)Cc2ccccc2)c1 ZINC000781914678 738672354 /nfs/dbraw/zinc/67/23/54/738672354.db2.gz ZGCSFNPKYHECOM-UHFFFAOYSA-N 1 2 363.255 2.951 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+](CC(N)=O)Cc2ccccc2)c1 ZINC000781914678 738672358 /nfs/dbraw/zinc/67/23/58/738672358.db2.gz ZGCSFNPKYHECOM-UHFFFAOYSA-N 1 2 363.255 2.951 20 10 FFCDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1cccc(NS(C)(=O)=O)c1 ZINC000882936275 733312182 /nfs/dbraw/zinc/31/21/82/733312182.db2.gz QDNGZSAKAITMLR-SNVBAGLBSA-N 1 2 356.394 2.893 20 10 FFCDLO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)[C@H]1CCOC1 ZINC000883164364 733344917 /nfs/dbraw/zinc/34/49/17/733344917.db2.gz CJQPTWPBYYMVEW-ZANVPECISA-N 1 2 364.667 2.949 20 10 FFCDLO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Br)cc(F)c1O ZINC000883374968 733376290 /nfs/dbraw/zinc/37/62/90/733376290.db2.gz YCQXYKKUJMSJAZ-SZEHBUNVSA-N 1 2 366.252 2.520 20 10 FFCDLO C[N@H+](CCN1CCCC1=O)Cc1cc(Cl)cc(Br)c1O ZINC000894016607 734787200 /nfs/dbraw/zinc/78/72/00/734787200.db2.gz HCLZENIDJIKPGL-UHFFFAOYSA-N 1 2 361.667 2.862 20 10 FFCDLO C[N@@H+](CCN1CCCC1=O)Cc1cc(Cl)cc(Br)c1O ZINC000894016607 734787204 /nfs/dbraw/zinc/78/72/04/734787204.db2.gz HCLZENIDJIKPGL-UHFFFAOYSA-N 1 2 361.667 2.862 20 10 FFCDLO O=C(N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C[C@@H]2C1)C(F)(F)F ZINC000894899723 734933830 /nfs/dbraw/zinc/93/38/30/734933830.db2.gz ACNWBUXBZBJVKJ-MWLCHTKSSA-N 1 2 364.314 2.513 20 10 FFCDLO O=C(N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C[C@@H]2C1)C(F)(F)F ZINC000894899723 734933832 /nfs/dbraw/zinc/93/38/32/734933832.db2.gz ACNWBUXBZBJVKJ-MWLCHTKSSA-N 1 2 364.314 2.513 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000895053645 734958119 /nfs/dbraw/zinc/95/81/19/734958119.db2.gz QJHBLZPJXONDNP-GFCCVEGCSA-N 1 2 355.211 2.722 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000895053645 734958120 /nfs/dbraw/zinc/95/81/20/734958120.db2.gz QJHBLZPJXONDNP-GFCCVEGCSA-N 1 2 355.211 2.722 20 10 FFCDLO C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cc(F)cc(F)c1O ZINC000903424126 736091179 /nfs/dbraw/zinc/09/11/79/736091179.db2.gz MLQGCRDLORWEII-LLVKDONJSA-N 1 2 370.421 2.917 20 10 FFCDLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)cc(F)c1O ZINC000756391245 736327323 /nfs/dbraw/zinc/32/73/23/736327323.db2.gz LDLQHDIWEQPTBH-MRVPVSSYSA-N 1 2 355.211 2.682 20 10 FFCDLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1cc(Br)cc(Cl)c1O ZINC000757631174 736414618 /nfs/dbraw/zinc/41/46/18/736414618.db2.gz BXZFHEXQXSYVFP-QMMMGPOBSA-N 1 2 361.667 2.985 20 10 FFCDLO O=C(NCCCSc1nccs1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000759602523 736580031 /nfs/dbraw/zinc/58/00/31/736580031.db2.gz WOOKTGYTQQVVFX-UHFFFAOYSA-N 1 2 351.501 2.938 20 10 FFCDLO C[NH+](C)Cc1csc(CNC(=O)NCCCSc2nccs2)n1 ZINC000921446391 737985717 /nfs/dbraw/zinc/98/57/17/737985717.db2.gz HOUMJTUSAJLATC-UHFFFAOYSA-N 1 2 371.557 2.643 20 10 FFCDLO CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000774488439 737993717 /nfs/dbraw/zinc/99/37/17/737993717.db2.gz PJAOJJQIKSAPSC-IEBVAXJPSA-N 1 2 362.239 2.874 20 10 FFCDLO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000776076461 738158778 /nfs/dbraw/zinc/15/87/78/738158778.db2.gz LQDPUILMJKGIRB-UHFFFAOYSA-N 1 2 372.849 2.561 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000793360833 739773410 /nfs/dbraw/zinc/77/34/10/739773410.db2.gz ACSHLLKKSITLTO-WBMJQRKESA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000793360833 739773412 /nfs/dbraw/zinc/77/34/12/739773412.db2.gz ACSHLLKKSITLTO-WBMJQRKESA-N 1 2 356.260 2.843 20 10 FFCDLO COCCn1cc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000800496285 740528316 /nfs/dbraw/zinc/52/83/16/740528316.db2.gz UEUPRJFLLBRETJ-SNVBAGLBSA-N 1 2 372.238 2.988 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000810073511 741381979 /nfs/dbraw/zinc/38/19/79/741381979.db2.gz ZQNGNRJTNOTPDX-UHFFFAOYSA-N 1 2 352.406 2.785 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000810073511 741381982 /nfs/dbraw/zinc/38/19/82/741381982.db2.gz ZQNGNRJTNOTPDX-UHFFFAOYSA-N 1 2 352.406 2.785 20 10 FFCDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000816511308 742036828 /nfs/dbraw/zinc/03/68/28/742036828.db2.gz TZYOZVIPKXVIAR-NSHDSACASA-N 1 2 354.731 2.780 20 10 FFCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000816511308 742036833 /nfs/dbraw/zinc/03/68/33/742036833.db2.gz TZYOZVIPKXVIAR-NSHDSACASA-N 1 2 354.731 2.780 20 10 FFCDLO COCC[NH2+]CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817965520 742224716 /nfs/dbraw/zinc/22/47/16/742224716.db2.gz WNDJSRKXEFQQLX-SECBINFHSA-N 1 2 351.672 2.695 20 10 FFCDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(Br)c1O)C(C)(C)CO ZINC000824672479 743126293 /nfs/dbraw/zinc/12/62/93/743126293.db2.gz CDKRLNRROZRTTH-CQSZACIVSA-N 1 2 368.275 2.738 20 10 FFCDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(Br)cc3O)[C@@H]2C1 ZINC000824943905 743183183 /nfs/dbraw/zinc/18/31/83/743183183.db2.gz VYGVYJYGDZPXES-FMKPAKJESA-N 1 2 356.260 2.923 20 10 FFCDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(Br)cc3O)[C@@H]2C1 ZINC000824943905 743183186 /nfs/dbraw/zinc/18/31/86/743183186.db2.gz VYGVYJYGDZPXES-FMKPAKJESA-N 1 2 356.260 2.923 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000832298279 745674230 /nfs/dbraw/zinc/67/42/30/745674230.db2.gz KQRRTEGAGVPFJS-YMTOWFKASA-N 1 2 351.752 2.993 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000832298279 745674234 /nfs/dbraw/zinc/67/42/34/745674234.db2.gz KQRRTEGAGVPFJS-YMTOWFKASA-N 1 2 351.752 2.993 20 10 FFCDLO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000834880799 745918140 /nfs/dbraw/zinc/91/81/40/745918140.db2.gz QUQDFOQHYCWWMJ-PKFCDNJMSA-N 1 2 362.239 2.996 20 10 FFCDLO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cc(F)cc(F)c1O ZINC000840799861 747186836 /nfs/dbraw/zinc/18/68/36/747186836.db2.gz XLUCCPNKLMDAAB-IAQYHMDHSA-N 1 2 357.397 2.737 20 10 FFCDLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000842912363 747719049 /nfs/dbraw/zinc/71/90/49/747719049.db2.gz RNQYOAKYZZKTSO-UPZJHPNMSA-N 1 2 350.640 2.873 20 10 FFCDLO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)Oc2ccccc21 ZINC000843417842 747833480 /nfs/dbraw/zinc/83/34/80/747833480.db2.gz MJLQMIFDLROPNA-GFCCVEGCSA-N 1 2 371.817 2.509 20 10 FFCDLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Br)cc1O ZINC000848557794 748959942 /nfs/dbraw/zinc/95/99/42/748959942.db2.gz LMJJTFIXNKHRQQ-RNCFNFMXSA-N 1 2 367.247 2.975 20 10 FFCDLO COc1cc(C(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)ccc1C ZINC000179945951 970772138 /nfs/dbraw/zinc/77/21/38/970772138.db2.gz LGZVVLOQBCORFK-UHFFFAOYSA-N 1 2 358.413 2.806 20 10 FFCDLO CC(C)c1nnc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000896054570 971189990 /nfs/dbraw/zinc/18/99/90/971189990.db2.gz WKBNJJKAJXSCLG-UHFFFAOYSA-N 1 2 373.526 2.653 20 10 FFCDLO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(N(C)C)cc1 ZINC000773421459 1013336160 /nfs/dbraw/zinc/33/61/60/1013336160.db2.gz DRWBSPAMLOACDE-DOTOQJQBSA-N 1 2 353.470 2.787 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1 ZINC001206245307 1013440166 /nfs/dbraw/zinc/44/01/66/1013440166.db2.gz SSKLUUCZJNUYEL-GFCCVEGCSA-N 1 2 353.182 2.929 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)c1 ZINC001206245307 1013440169 /nfs/dbraw/zinc/44/01/69/1013440169.db2.gz SSKLUUCZJNUYEL-GFCCVEGCSA-N 1 2 353.182 2.929 20 10 FFCDLO COc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(O)c1OC ZINC000891822595 965162291 /nfs/dbraw/zinc/16/22/91/965162291.db2.gz OEPWFVKAUOMCCU-UHFFFAOYSA-N 1 2 362.470 2.634 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000796581730 1014391266 /nfs/dbraw/zinc/39/12/66/1014391266.db2.gz ZHIFUKFQVSRLRO-JXFKEZNVSA-N 1 2 374.456 2.888 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@H]2CCO[C@H]2C)c(C)n1-c1cccc(F)c1 ZINC000796581730 1014391281 /nfs/dbraw/zinc/39/12/81/1014391281.db2.gz ZHIFUKFQVSRLRO-JXFKEZNVSA-N 1 2 374.456 2.888 20 10 FFCDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000729613262 981117011 /nfs/dbraw/zinc/11/70/11/981117011.db2.gz BRVNBIBFPYIASP-GOSISDBHSA-N 1 2 374.529 2.539 20 10 FFCDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000729613262 981117013 /nfs/dbraw/zinc/11/70/13/981117013.db2.gz BRVNBIBFPYIASP-GOSISDBHSA-N 1 2 374.529 2.539 20 10 FFCDLO COc1ccccc1[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000877756217 1014715131 /nfs/dbraw/zinc/71/51/31/1014715131.db2.gz SSEGFPYXZMSJRT-KRWDZBQOSA-N 1 2 374.393 2.891 20 10 FFCDLO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000877756217 1014715142 /nfs/dbraw/zinc/71/51/42/1014715142.db2.gz SSEGFPYXZMSJRT-KRWDZBQOSA-N 1 2 374.393 2.891 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000180780152 991553419 /nfs/dbraw/zinc/55/34/19/991553419.db2.gz JCMLYUGZRPMKCV-WUZDHUPESA-N 1 2 364.445 2.969 20 10 FFCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)c(F)cc2O)CC12CC2 ZINC001144308721 998306362 /nfs/dbraw/zinc/30/63/62/998306362.db2.gz UUMCMKQAQGRENP-JTQLQIEISA-N 1 2 358.207 2.679 20 10 FFCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)c(F)cc2O)CC12CC2 ZINC001144308721 998306375 /nfs/dbraw/zinc/30/63/75/998306375.db2.gz UUMCMKQAQGRENP-JTQLQIEISA-N 1 2 358.207 2.679 20 10 FFCDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768215007 1000195914 /nfs/dbraw/zinc/19/59/14/1000195914.db2.gz MXQMGSLPBXENPP-UHFFFAOYSA-N 1 2 360.458 2.639 20 10 FFCDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768215007 1000195917 /nfs/dbraw/zinc/19/59/17/1000195917.db2.gz MXQMGSLPBXENPP-UHFFFAOYSA-N 1 2 360.458 2.639 20 10 FFCDLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768236238 1000200116 /nfs/dbraw/zinc/20/01/16/1000200116.db2.gz CVZNNBXTWKQFPD-INIZCTEOSA-N 1 2 355.390 2.829 20 10 FFCDLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768236238 1000200117 /nfs/dbraw/zinc/20/01/17/1000200117.db2.gz CVZNNBXTWKQFPD-INIZCTEOSA-N 1 2 355.390 2.829 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)cc1F ZINC000769306700 1000490287 /nfs/dbraw/zinc/49/02/87/1000490287.db2.gz BWPUHTAHSAPKGG-UHFFFAOYSA-N 1 2 359.493 2.723 20 10 FFCDLO CCN(CC)c1ccc(CN2CC[NH+](Cc3cnn(C)c3)CC2)cc1F ZINC000769306700 1000490291 /nfs/dbraw/zinc/49/02/91/1000490291.db2.gz BWPUHTAHSAPKGG-UHFFFAOYSA-N 1 2 359.493 2.723 20 10 FFCDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)c1cccc(O)c1O ZINC001148211992 1001067834 /nfs/dbraw/zinc/06/78/34/1001067834.db2.gz GVPTYKANERZGNI-UHFFFAOYSA-N 1 2 354.366 2.502 20 10 FFCDLO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(F)cc2O)C1=O ZINC001276192180 1016504190 /nfs/dbraw/zinc/50/41/90/1016504190.db2.gz YWQAYLPCNZWQBQ-LJQANCHMSA-N 1 2 368.424 2.662 20 10 FFCDLO COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(F)cc2O)C1=O ZINC001276192180 1016504199 /nfs/dbraw/zinc/50/41/99/1016504199.db2.gz YWQAYLPCNZWQBQ-LJQANCHMSA-N 1 2 368.424 2.662 20 10 FFCDLO CC(C)[C@H](C(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O)[NH+](C)C ZINC001183361756 1002239410 /nfs/dbraw/zinc/23/94/10/1002239410.db2.gz AVHLBJOFKGDFJQ-GOSISDBHSA-N 1 2 365.433 2.569 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000790130717 1002285552 /nfs/dbraw/zinc/28/55/52/1002285552.db2.gz CBASPNBBTZKEBI-GOSISDBHSA-N 1 2 355.482 2.887 20 10 FFCDLO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000793239768 1003317652 /nfs/dbraw/zinc/31/76/52/1003317652.db2.gz GCKHGBYWYHMQHI-NRFANRHFSA-N 1 2 371.525 2.937 20 10 FFCDLO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000793239768 1003317659 /nfs/dbraw/zinc/31/76/59/1003317659.db2.gz GCKHGBYWYHMQHI-NRFANRHFSA-N 1 2 371.525 2.937 20 10 FFCDLO COc1c(O)c(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000793620901 1003446611 /nfs/dbraw/zinc/44/66/11/1003446611.db2.gz SVUUQBQPRNOKND-KRWDZBQOSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(CN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000793620901 1003446619 /nfs/dbraw/zinc/44/66/19/1003446619.db2.gz SVUUQBQPRNOKND-KRWDZBQOSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000793620901 1003446628 /nfs/dbraw/zinc/44/66/28/1003446628.db2.gz SVUUQBQPRNOKND-KRWDZBQOSA-N 1 2 371.437 2.668 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000793620901 1003446634 /nfs/dbraw/zinc/44/66/34/1003446634.db2.gz SVUUQBQPRNOKND-KRWDZBQOSA-N 1 2 371.437 2.668 20 10 FFCDLO C[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccc(N2CCOCC2)cc1 ZINC000775257387 1007124968 /nfs/dbraw/zinc/12/49/68/1007124968.db2.gz JATIBXLVCGOPFE-LBPRGKRZSA-N 1 2 370.375 2.862 20 10 FFCDLO CCN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000773775014 1009142703 /nfs/dbraw/zinc/14/27/03/1009142703.db2.gz WHQWPRZTDWSJJN-UHFFFAOYSA-N 1 2 353.466 2.806 20 10 FFCDLO CC[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[N@@H+]1CCO[C@H](CC)C1 ZINC000773876720 1009840666 /nfs/dbraw/zinc/84/06/66/1009840666.db2.gz BMLCYIKHJVSCPV-MOPGFXCFSA-N 1 2 359.514 2.575 20 10 FFCDLO CC[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[N@H+]1CCO[C@H](CC)C1 ZINC000773876720 1009840679 /nfs/dbraw/zinc/84/06/79/1009840679.db2.gz BMLCYIKHJVSCPV-MOPGFXCFSA-N 1 2 359.514 2.575 20 10 FFCDLO COC[C@@]1(C)C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000862552117 1009879424 /nfs/dbraw/zinc/87/94/24/1009879424.db2.gz SXYILJKVGHWLAR-LJQANCHMSA-N 1 2 363.458 2.822 20 10 FFCDLO COC[C@@]1(C)C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000862552117 1009879440 /nfs/dbraw/zinc/87/94/40/1009879440.db2.gz SXYILJKVGHWLAR-LJQANCHMSA-N 1 2 363.458 2.822 20 10 FFCDLO C[C@@H]1CN(c2ccc(CNC(=O)CNc3cccc[nH+]3)cc2F)C[C@@H](C)O1 ZINC000900268998 1020319975 /nfs/dbraw/zinc/31/99/75/1020319975.db2.gz HSESKLQRNJLHOO-HUUCEWRRSA-N 1 2 372.444 2.563 20 10 FFCDLO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)CC1 ZINC000803117544 1020626515 /nfs/dbraw/zinc/62/65/15/1020626515.db2.gz YWFDBAHPCARFCY-UHFFFAOYSA-N 1 2 370.409 2.695 20 10 FFCDLO Cn1c(C2SC=CC2=O)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001121273704 1023682505 /nfs/dbraw/zinc/68/25/05/1023682505.db2.gz IGMNTJJPEQOXRT-UHFFFAOYSA-N 1 2 361.496 2.633 20 10 FFCDLO C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756476762 1023716641 /nfs/dbraw/zinc/71/66/41/1023716641.db2.gz UTPXHIFKQUBSKX-ZDUSSCGKSA-N 1 2 362.424 2.668 20 10 FFCDLO COC[C@@H]1C[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2nnn(C)c21 ZINC001137856189 1033223248 /nfs/dbraw/zinc/22/32/48/1033223248.db2.gz SVCDRWREXBNRDO-SFHVURJKSA-N 1 2 365.481 2.968 20 10 FFCDLO COC[C@@H]1C[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2nnn(C)c21 ZINC001137856189 1033223260 /nfs/dbraw/zinc/22/32/60/1033223260.db2.gz SVCDRWREXBNRDO-SFHVURJKSA-N 1 2 365.481 2.968 20 10 FFCDLO COC[C@H]1C[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2nnn(C)c21 ZINC001137856188 1033223280 /nfs/dbraw/zinc/22/32/80/1033223280.db2.gz SVCDRWREXBNRDO-GOSISDBHSA-N 1 2 365.481 2.968 20 10 FFCDLO COC[C@H]1C[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)Cc2nnn(C)c21 ZINC001137856188 1033223286 /nfs/dbraw/zinc/22/32/86/1033223286.db2.gz SVCDRWREXBNRDO-GOSISDBHSA-N 1 2 365.481 2.968 20 10 FFCDLO COc1ccc(N2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)cc1F ZINC000084866826 1025152753 /nfs/dbraw/zinc/15/27/53/1025152753.db2.gz XAWVSZQGTGGIBU-KRWDZBQOSA-N 1 2 366.383 2.968 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cc1O ZINC001203879728 1030956293 /nfs/dbraw/zinc/95/62/93/1030956293.db2.gz ZIJFPUPMOCQIEV-DBXWQHBBSA-N 1 2 370.449 2.689 20 10 FFCDLO Oc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cc1O ZINC001203879728 1030956304 /nfs/dbraw/zinc/95/63/04/1030956304.db2.gz ZIJFPUPMOCQIEV-DBXWQHBBSA-N 1 2 370.449 2.689 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001138125613 1033803271 /nfs/dbraw/zinc/80/32/71/1033803271.db2.gz UMXDSLLVOABMAT-NLWGTHIKSA-N 1 2 365.445 2.706 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001138125613 1033803286 /nfs/dbraw/zinc/80/32/86/1033803286.db2.gz UMXDSLLVOABMAT-NLWGTHIKSA-N 1 2 365.445 2.706 20 10 FFCDLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139125036 1034955130 /nfs/dbraw/zinc/95/51/30/1034955130.db2.gz JKXNJMRUVMQBRZ-AWEZNQCLSA-N 1 2 359.422 2.972 20 10 FFCDLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139125036 1034955136 /nfs/dbraw/zinc/95/51/36/1034955136.db2.gz JKXNJMRUVMQBRZ-AWEZNQCLSA-N 1 2 359.422 2.972 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001139133228 1034962027 /nfs/dbraw/zinc/96/20/27/1034962027.db2.gz FYCKZRJKPXKRSB-UHFFFAOYSA-N 1 2 372.465 2.887 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001139133228 1034962035 /nfs/dbraw/zinc/96/20/35/1034962035.db2.gz FYCKZRJKPXKRSB-UHFFFAOYSA-N 1 2 372.465 2.887 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001139133720 1034962967 /nfs/dbraw/zinc/96/29/67/1034962967.db2.gz NHAYARHIZFEEAG-CQSZACIVSA-N 1 2 367.405 2.640 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001139133720 1034962975 /nfs/dbraw/zinc/96/29/75/1034962975.db2.gz NHAYARHIZFEEAG-CQSZACIVSA-N 1 2 367.405 2.640 20 10 FFCDLO COCCOc1ccc(N2CC[NH+](Cc3ccnc(SC)n3)CC2)cc1 ZINC001140037413 1035315490 /nfs/dbraw/zinc/31/54/90/1035315490.db2.gz VGIBDQDEHQERKN-UHFFFAOYSA-N 1 2 374.510 2.546 20 10 FFCDLO Oc1cccc(Cl)c1C[N@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001140340527 1035444385 /nfs/dbraw/zinc/44/43/85/1035444385.db2.gz XYWJMLCIFMRRLF-AWEZNQCLSA-N 1 2 357.845 2.771 20 10 FFCDLO Oc1cccc(Cl)c1C[N@@H+]1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001140340527 1035444388 /nfs/dbraw/zinc/44/43/88/1035444388.db2.gz XYWJMLCIFMRRLF-AWEZNQCLSA-N 1 2 357.845 2.771 20 10 FFCDLO COC(=O)N1CCN(c2ccc(N[C@@H]3CCc4cccc(O)c43)c[nH+]2)CC1 ZINC000834815505 1035455901 /nfs/dbraw/zinc/45/59/01/1035455901.db2.gz WSBIDEWSRKHPGZ-MRXNPFEDSA-N 1 2 368.437 2.775 20 10 FFCDLO Oc1cc(Cl)ccc1C[N@@H+]1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001140465275 1035485160 /nfs/dbraw/zinc/48/51/60/1035485160.db2.gz MHERLDQBQMMZGD-IBGZPJMESA-N 1 2 374.872 2.707 20 10 FFCDLO Oc1cc(Cl)ccc1C[N@H+]1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001140465275 1035485161 /nfs/dbraw/zinc/48/51/61/1035485161.db2.gz MHERLDQBQMMZGD-IBGZPJMESA-N 1 2 374.872 2.707 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCC(NC(=O)C(F)(F)F)CC2)cc1Cl ZINC001232269905 1035540356 /nfs/dbraw/zinc/54/03/56/1035540356.db2.gz MVOMCRVDWIBDJL-UHFFFAOYSA-N 1 2 366.767 2.697 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001140580977 1035661612 /nfs/dbraw/zinc/66/16/12/1035661612.db2.gz OFXYIMJHQCOUSO-AYBZRNKSSA-N 1 2 362.376 2.876 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001140580977 1035661616 /nfs/dbraw/zinc/66/16/16/1035661616.db2.gz OFXYIMJHQCOUSO-AYBZRNKSSA-N 1 2 362.376 2.876 20 10 FFCDLO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031331 1036272249 /nfs/dbraw/zinc/27/22/49/1036272249.db2.gz BWKYVDATBRKUIT-UWVGGRQHSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031331 1036272257 /nfs/dbraw/zinc/27/22/57/1036272257.db2.gz BWKYVDATBRKUIT-UWVGGRQHSA-N 1 2 360.223 2.925 20 10 FFCDLO CCOC(=O)c1c(C[N@@H+]2CCc3nn(C)cc3C2)c2ccccc2n1C ZINC001233272534 1036479858 /nfs/dbraw/zinc/47/98/58/1036479858.db2.gz OXZPXMUIDPFPME-UHFFFAOYSA-N 1 2 352.438 2.647 20 10 FFCDLO CCOC(=O)c1c(C[N@H+]2CCc3nn(C)cc3C2)c2ccccc2n1C ZINC001233272534 1036479862 /nfs/dbraw/zinc/47/98/62/1036479862.db2.gz OXZPXMUIDPFPME-UHFFFAOYSA-N 1 2 352.438 2.647 20 10 FFCDLO O=C1COC2(C1)CC[NH+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001235294090 1037457406 /nfs/dbraw/zinc/45/74/06/1037457406.db2.gz NAEMRCXYKXDGEQ-UHFFFAOYSA-N 1 2 358.207 2.618 20 10 FFCDLO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C1 ZINC001231252997 1037513837 /nfs/dbraw/zinc/51/38/37/1037513837.db2.gz KESSEMNMEYGYTG-LBPRGKRZSA-N 1 2 366.373 2.843 20 10 FFCDLO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C1 ZINC001231252997 1037513846 /nfs/dbraw/zinc/51/38/46/1037513846.db2.gz KESSEMNMEYGYTG-LBPRGKRZSA-N 1 2 366.373 2.843 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cncc(OC)c3C)CC2)c(OC)c1 ZINC001235472221 1037572383 /nfs/dbraw/zinc/57/23/83/1037572383.db2.gz ANYYBPNRTGIVGW-UHFFFAOYSA-N 1 2 357.454 2.738 20 10 FFCDLO COc1ccc(Br)c(C[N@@H+]2CCCC3(C2)OCCO3)c1O ZINC001231557513 1037680668 /nfs/dbraw/zinc/68/06/68/1037680668.db2.gz UHIFXLOOEPWCTL-UHFFFAOYSA-N 1 2 358.232 2.502 20 10 FFCDLO COc1ccc(Br)c(C[N@H+]2CCCC3(C2)OCCO3)c1O ZINC001231557513 1037680677 /nfs/dbraw/zinc/68/06/77/1037680677.db2.gz UHIFXLOOEPWCTL-UHFFFAOYSA-N 1 2 358.232 2.502 20 10 FFCDLO CCC[C@H]1CN(Cc2cc(C(=O)OC)cc(Br)c2O)CC[NH2+]1 ZINC001236178553 1037968101 /nfs/dbraw/zinc/96/81/01/1037968101.db2.gz NPUCLPKDXSDRBY-ZDUSSCGKSA-N 1 2 371.275 2.515 20 10 FFCDLO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]21 ZINC001231910219 1038002092 /nfs/dbraw/zinc/00/20/92/1038002092.db2.gz LDDHOBGRSDGPCT-BFYDXBDKSA-N 1 2 364.873 2.551 20 10 FFCDLO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C[C@@H]21 ZINC001231910219 1038002110 /nfs/dbraw/zinc/00/21/10/1038002110.db2.gz LDDHOBGRSDGPCT-BFYDXBDKSA-N 1 2 364.873 2.551 20 10 FFCDLO CC(C)c1ccc(C[N@@H+]2CCCn3c(Cn4cccn4)nnc3C2)c(O)c1 ZINC001237052599 1038425361 /nfs/dbraw/zinc/42/53/61/1038425361.db2.gz CAJYIKLYNSTROV-UHFFFAOYSA-N 1 2 366.469 2.758 20 10 FFCDLO CC(C)c1ccc(C[N@H+]2CCCn3c(Cn4cccn4)nnc3C2)c(O)c1 ZINC001237052599 1038425369 /nfs/dbraw/zinc/42/53/69/1038425369.db2.gz CAJYIKLYNSTROV-UHFFFAOYSA-N 1 2 366.469 2.758 20 10 FFCDLO COC(=O)[C@H]1COCCC12C[NH+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237085039 1038439656 /nfs/dbraw/zinc/43/96/56/1038439656.db2.gz SGWOPVTWDJVUBW-LLVKDONJSA-N 1 2 360.237 2.711 20 10 FFCDLO C[NH+]1CCN(c2ccc(CN3CC[C@@H](F)C3)cc2Br)CC1 ZINC001237091393 1038440880 /nfs/dbraw/zinc/44/08/80/1038440880.db2.gz ZTKLJJUKUXZVMO-CQSZACIVSA-N 1 2 356.283 2.745 20 10 FFCDLO O=C(NCC(F)(F)F)N1CCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001278568709 1041203641 /nfs/dbraw/zinc/20/36/41/1041203641.db2.gz GHXYEIHLQUBTNX-UHFFFAOYSA-N 1 2 363.767 2.578 20 10 FFCDLO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2C1 ZINC001237619036 1043274902 /nfs/dbraw/zinc/27/49/02/1043274902.db2.gz MCTKQYJMDFJVGV-CNDDSTCGSA-N 1 2 352.837 2.921 20 10 FFCDLO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2C1 ZINC001237619036 1043274912 /nfs/dbraw/zinc/27/49/12/1043274912.db2.gz MCTKQYJMDFJVGV-CNDDSTCGSA-N 1 2 352.837 2.921 20 10 FFCDLO COc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)cc1Cl ZINC001279572192 1043276415 /nfs/dbraw/zinc/27/64/15/1043276415.db2.gz XMEIEUMJPPQEMG-APWZRJJASA-N 1 2 366.889 2.882 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)cc1Cl ZINC001279572192 1043276425 /nfs/dbraw/zinc/27/64/25/1043276425.db2.gz XMEIEUMJPPQEMG-APWZRJJASA-N 1 2 366.889 2.882 20 10 FFCDLO O=C(NCC(F)F)c1cc2c([nH]1)C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001279983869 1044036741 /nfs/dbraw/zinc/03/67/41/1044036741.db2.gz UKHJUBRGGBMXCT-UHFFFAOYSA-N 1 2 369.799 2.927 20 10 FFCDLO O=C(NCC(F)F)c1cc2c([nH]1)C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001279983869 1044036754 /nfs/dbraw/zinc/03/67/54/1044036754.db2.gz UKHJUBRGGBMXCT-UHFFFAOYSA-N 1 2 369.799 2.927 20 10 FFCDLO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnc(OC)nc2OC)n1C ZINC001240902907 1044460918 /nfs/dbraw/zinc/46/09/18/1044460918.db2.gz MBZWNJRJXSGORM-UHFFFAOYSA-N 1 2 356.382 2.533 20 10 FFCDLO CCC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325734287 1046627014 /nfs/dbraw/zinc/62/70/14/1046627014.db2.gz RPDSZNJTDDHYOE-UHFFFAOYSA-N 1 2 350.526 2.741 20 10 FFCDLO CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325734287 1046627021 /nfs/dbraw/zinc/62/70/21/1046627021.db2.gz RPDSZNJTDDHYOE-UHFFFAOYSA-N 1 2 350.526 2.741 20 10 FFCDLO CC[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[N@@H+]1CCO[C@@H](CC)C1 ZINC001294870590 1049823925 /nfs/dbraw/zinc/82/39/25/1049823925.db2.gz XXXLUHXTWNRENK-QFBILLFUSA-N 1 2 360.498 2.777 20 10 FFCDLO CC[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[N@H+]1CCO[C@@H](CC)C1 ZINC001294870590 1049823931 /nfs/dbraw/zinc/82/39/31/1049823931.db2.gz XXXLUHXTWNRENK-QFBILLFUSA-N 1 2 360.498 2.777 20 10 FFCDLO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC001308378660 1052451806 /nfs/dbraw/zinc/45/18/06/1052451806.db2.gz LMAMIGJCHFPPPT-CQSZACIVSA-N 1 2 354.219 2.987 20 10 FFCDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001587150956 1079746079 /nfs/dbraw/zinc/74/60/79/1079746079.db2.gz MOQZMVCUEIIGFD-CYBMUJFWSA-N 1 2 364.396 2.647 20 10 FFCDLO C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589960051 1080904554 /nfs/dbraw/zinc/90/45/54/1080904554.db2.gz ZNDOCSMRDBGWOD-VOJFVSQTSA-N 1 2 373.844 2.784 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(N)=O)CC2)c(C)n1-c1cccc(F)c1 ZINC000079465713 507964852 /nfs/dbraw/zinc/96/48/52/507964852.db2.gz WDNCJIRQHYQPQQ-UHFFFAOYSA-N 1 2 372.444 2.549 20 10 FFCDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000076721242 508246382 /nfs/dbraw/zinc/24/63/82/508246382.db2.gz UZMDRSVGQIFWIZ-HNNXBMFYSA-N 1 2 360.458 2.888 20 10 FFCDLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000076721242 508246384 /nfs/dbraw/zinc/24/63/84/508246384.db2.gz UZMDRSVGQIFWIZ-HNNXBMFYSA-N 1 2 360.458 2.888 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1O ZINC000186169067 509557638 /nfs/dbraw/zinc/55/76/38/509557638.db2.gz XKPKICRIXXJQJG-VHSXEESVSA-N 1 2 367.298 2.774 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000265832356 510253003 /nfs/dbraw/zinc/25/30/03/510253003.db2.gz QLXDICHUWJSKIW-UHFFFAOYSA-N 1 2 367.493 2.857 20 10 FFCDLO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1nc(Cc2ccccc2)no1 ZINC000191598304 510743494 /nfs/dbraw/zinc/74/34/94/510743494.db2.gz LRZJTLFOIRKDLC-LBPRGKRZSA-N 1 2 353.378 2.946 20 10 FFCDLO c1nn(-c2ncccn2)c2nc[nH+]c(NCc3ccc(N4CCCC4)cc3)c12 ZINC000178868024 510811837 /nfs/dbraw/zinc/81/18/37/510811837.db2.gz DPBILQAAEYSMBF-UHFFFAOYSA-N 1 2 372.436 2.818 20 10 FFCDLO C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(F)c(F)c1O ZINC000276988424 510950686 /nfs/dbraw/zinc/95/06/86/510950686.db2.gz XCLCXJNRXQXSFB-GFCCVEGCSA-N 1 2 355.406 2.936 20 10 FFCDLO Oc1c(F)cccc1C[NH+]1CCN(CCCOCC(F)(F)F)CC1 ZINC000272338250 511490776 /nfs/dbraw/zinc/49/07/76/511490776.db2.gz XZNMNGHCFPNCKS-UHFFFAOYSA-N 1 2 350.356 2.618 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000295833293 511529498 /nfs/dbraw/zinc/52/94/98/511529498.db2.gz ABLIEYRYYFDPOU-SECBINFHSA-N 1 2 355.316 2.838 20 10 FFCDLO COc1cc(N2CCN(c3nc(C)[nH+]c(C)c3C)CC2)cc(OC)c1OC ZINC000302144366 511707298 /nfs/dbraw/zinc/70/72/98/511707298.db2.gz GUUKSBNFEVKZAF-UHFFFAOYSA-N 1 2 372.469 2.754 20 10 FFCDLO CN(C)c1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1F ZINC000302891781 511718155 /nfs/dbraw/zinc/71/81/55/511718155.db2.gz NXWTZYFAFNZNFX-HNNXBMFYSA-N 1 2 359.449 2.645 20 10 FFCDLO CN(C)c1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1F ZINC000302891781 511718163 /nfs/dbraw/zinc/71/81/63/511718163.db2.gz NXWTZYFAFNZNFX-HNNXBMFYSA-N 1 2 359.449 2.645 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000370032497 512735633 /nfs/dbraw/zinc/73/56/33/512735633.db2.gz LKNYAGDHBFALDR-BZNIZROVSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000370032497 512735638 /nfs/dbraw/zinc/73/56/38/512735638.db2.gz LKNYAGDHBFALDR-BZNIZROVSA-N 1 2 372.259 2.543 20 10 FFCDLO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635629964 522409255 /nfs/dbraw/zinc/40/92/55/522409255.db2.gz ZEEDNGNYPJCCMH-HNNXBMFYSA-N 1 2 368.359 2.868 20 10 FFCDLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000856595269 730346582 /nfs/dbraw/zinc/34/65/82/730346582.db2.gz RWPLCBLKLMOICP-QGZVFWFLSA-N 1 2 369.824 2.700 20 10 FFCDLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000856595269 730346584 /nfs/dbraw/zinc/34/65/84/730346584.db2.gz RWPLCBLKLMOICP-QGZVFWFLSA-N 1 2 369.824 2.700 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000862527604 730706595 /nfs/dbraw/zinc/70/65/95/730706595.db2.gz CQNBLRZKDGJXQO-WKFQBHICSA-N 1 2 365.065 2.778 20 10 FFCDLO COCC[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000775648791 738108949 /nfs/dbraw/zinc/10/89/49/738108949.db2.gz XIJHDLVQSZFHDD-UHFFFAOYSA-N 1 2 353.054 2.995 20 10 FFCDLO COCC[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000775648791 738108952 /nfs/dbraw/zinc/10/89/52/738108952.db2.gz XIJHDLVQSZFHDD-UHFFFAOYSA-N 1 2 353.054 2.995 20 10 FFCDLO Cc1cc(O)c(C[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1Cl ZINC000877761800 732425279 /nfs/dbraw/zinc/42/52/79/732425279.db2.gz PPSCHPKYWOUARX-UHFFFAOYSA-N 1 2 366.870 2.560 20 10 FFCDLO Cc1cc(O)c(C[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1Cl ZINC000877761800 732425281 /nfs/dbraw/zinc/42/52/81/732425281.db2.gz PPSCHPKYWOUARX-UHFFFAOYSA-N 1 2 366.870 2.560 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823132 732441971 /nfs/dbraw/zinc/44/19/71/732441971.db2.gz VCRJITZBQONDFQ-BXKDBHETSA-N 1 2 364.320 2.851 20 10 FFCDLO COc1c(O)c(C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823132 732441976 /nfs/dbraw/zinc/44/19/76/732441976.db2.gz VCRJITZBQONDFQ-BXKDBHETSA-N 1 2 364.320 2.851 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]CCOC[C@H]1CCOC1 ZINC000882991333 733319187 /nfs/dbraw/zinc/31/91/87/733319187.db2.gz WCZPTNHHSLMIPY-JTQLQIEISA-N 1 2 364.667 2.951 20 10 FFCDLO OCC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000883088627 733331242 /nfs/dbraw/zinc/33/12/42/733331242.db2.gz LVTYDTKLRBKGJW-CQSZACIVSA-N 1 2 362.239 2.561 20 10 FFCDLO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883107896 733334793 /nfs/dbraw/zinc/33/47/93/733334793.db2.gz OMUTUHDCCUJKIJ-NSHDSACASA-N 1 2 359.239 2.642 20 10 FFCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000708204248 734362625 /nfs/dbraw/zinc/36/26/25/734362625.db2.gz LYQCAIIQUWYKMH-LBPRGKRZSA-N 1 2 352.681 2.766 20 10 FFCDLO C[C@H]([NH2+]CCN1CCCOCC1)c1cc(Br)cc(F)c1O ZINC000903228459 736060827 /nfs/dbraw/zinc/06/08/27/736060827.db2.gz QZDZKZWBSNFASR-NSHDSACASA-N 1 2 361.255 2.667 20 10 FFCDLO CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000756362102 736325484 /nfs/dbraw/zinc/32/54/84/736325484.db2.gz MKTLBJDRKYWEFZ-VIFPVBQESA-N 1 2 359.239 2.955 20 10 FFCDLO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)cc(F)c1O ZINC000756563242 736343466 /nfs/dbraw/zinc/34/34/66/736343466.db2.gz MKYCPEDGMGJEJP-QWRGUYRKSA-N 1 2 362.239 2.998 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000758573611 736502508 /nfs/dbraw/zinc/50/25/08/736502508.db2.gz WHQXCFYTORAMKT-UHFFFAOYSA-N 1 2 363.259 2.703 20 10 FFCDLO O=C(NCCCSc1nccs1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000759590356 736579272 /nfs/dbraw/zinc/57/92/72/736579272.db2.gz JJCNUXFNJHQPJZ-LBPRGKRZSA-N 1 2 351.501 2.938 20 10 FFCDLO O=S1(=O)CCc2cc(C[NH2+]Cc3cc(Cl)cc(F)c3O)ccc21 ZINC000776251307 738174598 /nfs/dbraw/zinc/17/45/98/738174598.db2.gz VXGWZDYRERIYBT-UHFFFAOYSA-N 1 2 355.818 2.804 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922953907 738224112 /nfs/dbraw/zinc/22/41/12/738224112.db2.gz DUVTXXCEHRGNGC-CQSZACIVSA-N 1 2 373.266 2.637 20 10 FFCDLO CC1(C)C[N@H+](Cc2cccc(Br)c2O)C[C@@]2(CCOC2)O1 ZINC000793365337 739774454 /nfs/dbraw/zinc/77/44/54/739774454.db2.gz KMEGGSPLBJWGRC-MRXNPFEDSA-N 1 2 356.260 2.925 20 10 FFCDLO CC1(C)C[N@@H+](Cc2cccc(Br)c2O)C[C@@]2(CCOC2)O1 ZINC000793365337 739774455 /nfs/dbraw/zinc/77/44/55/739774455.db2.gz KMEGGSPLBJWGRC-MRXNPFEDSA-N 1 2 356.260 2.925 20 10 FFCDLO CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)cc1[O-] ZINC000796758888 740180414 /nfs/dbraw/zinc/18/04/14/740180414.db2.gz HGDRHFZHUSIGNQ-KRWDZBQOSA-N 1 2 351.466 2.515 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Br)cc(F)c1O ZINC000798937285 740375481 /nfs/dbraw/zinc/37/54/81/740375481.db2.gz PXTLSNMOVKZQRI-ZJUUUORDSA-N 1 2 359.239 2.955 20 10 FFCDLO CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806134792 741042326 /nfs/dbraw/zinc/04/23/26/741042326.db2.gz NZCRFWOMZHDPKF-AWEZNQCLSA-N 1 2 360.285 2.514 20 10 FFCDLO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000824738353 743139667 /nfs/dbraw/zinc/13/96/67/743139667.db2.gz LYCAXAKTNGSLBZ-UHFFFAOYSA-N 1 2 372.849 2.725 20 10 FFCDLO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1cccc(Cl)c1O)CO2 ZINC000827065161 743497741 /nfs/dbraw/zinc/49/77/41/743497741.db2.gz IEYMYZAFSKGRHB-ZDUSSCGKSA-N 1 2 368.861 2.914 20 10 FFCDLO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 ZINC000827851356 744990745 /nfs/dbraw/zinc/99/07/45/744990745.db2.gz SZPBPWZENTZJEY-RISCZKNCSA-N 1 2 360.376 2.680 20 10 FFCDLO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 ZINC000827851356 744990748 /nfs/dbraw/zinc/99/07/48/744990748.db2.gz SZPBPWZENTZJEY-RISCZKNCSA-N 1 2 360.376 2.680 20 10 FFCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)C1(CO)CC1 ZINC000827903467 744999099 /nfs/dbraw/zinc/99/90/99/744999099.db2.gz HZHCVIRXZNCUKX-UHFFFAOYSA-N 1 2 365.065 2.874 20 10 FFCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)C1(CO)CC1 ZINC000827903467 744999102 /nfs/dbraw/zinc/99/91/02/744999102.db2.gz HZHCVIRXZNCUKX-UHFFFAOYSA-N 1 2 365.065 2.874 20 10 FFCDLO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(F)cc(F)c1O ZINC000834840304 745912549 /nfs/dbraw/zinc/91/25/49/745912549.db2.gz IVINVHVIFCXUJT-SECBINFHSA-N 1 2 373.197 2.945 20 10 FFCDLO Cc1cc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cs1 ZINC000841495432 747369517 /nfs/dbraw/zinc/36/95/17/747369517.db2.gz IJMKJALODPPMGB-UVTDQMKNSA-N 1 2 368.549 2.980 20 10 FFCDLO CCOc1ccc(C[NH2+][C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c(O)c1 ZINC000846107502 748409182 /nfs/dbraw/zinc/40/91/82/748409182.db2.gz JLUYQLLGAHXHNM-JOQOYGCGSA-N 1 2 351.443 2.627 20 10 FFCDLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000097406484 959487975 /nfs/dbraw/zinc/48/79/75/959487975.db2.gz DAEFYWXPIHAHJE-UHFFFAOYSA-N 1 2 369.509 2.968 20 10 FFCDLO CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(C(=O)c3cc(O)[nH]c(=O)c3)C2)C1 ZINC001271795846 974340823 /nfs/dbraw/zinc/34/08/23/974340823.db2.gz BJQONBOHAJSZBV-OAHLLOKOSA-N 1 2 361.486 2.857 20 10 FFCDLO CCCC[C@@H](CC)C[N@H+]1CCC2(CN(C(=O)c3cc(O)[nH]c(=O)c3)C2)C1 ZINC001271795846 974340828 /nfs/dbraw/zinc/34/08/28/974340828.db2.gz BJQONBOHAJSZBV-OAHLLOKOSA-N 1 2 361.486 2.857 20 10 FFCDLO COc1ccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)o1 ZINC000893580088 975585132 /nfs/dbraw/zinc/58/51/32/975585132.db2.gz RTIVOSQWASEHED-UHFFFAOYSA-N 1 2 362.426 2.636 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000898887900 976749220 /nfs/dbraw/zinc/74/92/20/976749220.db2.gz FXSPAFFDCNLMDN-KRWDZBQOSA-N 1 2 372.856 2.944 20 10 FFCDLO Nc1ccc(CCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000841959049 982471223 /nfs/dbraw/zinc/47/12/23/982471223.db2.gz JQOKVHDEDMLPAP-UHFFFAOYSA-N 1 2 367.497 2.933 20 10 FFCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001142527126 982578850 /nfs/dbraw/zinc/57/88/50/982578850.db2.gz LMTCVJQVVBISOC-UHFFFAOYSA-N 1 2 374.313 2.801 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1F ZINC000761227303 984941947 /nfs/dbraw/zinc/94/19/47/984941947.db2.gz ZQLDMUAALARUIX-UHFFFAOYSA-N 1 2 361.440 2.923 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000649531070 991887831 /nfs/dbraw/zinc/88/78/31/991887831.db2.gz XGDRVPTVIYBSJT-UHFFFAOYSA-N 1 2 352.438 2.542 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)cc1 ZINC000824374707 996920008 /nfs/dbraw/zinc/92/00/08/996920008.db2.gz YHRFAQQGLFGPDF-VQIMIIECSA-N 1 2 356.470 2.874 20 10 FFCDLO COc1ccc(N(C)CCN(C)C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000844651747 998047057 /nfs/dbraw/zinc/04/70/57/998047057.db2.gz RNPHHCLLFIUNEA-UHFFFAOYSA-N 1 2 353.426 2.943 20 10 FFCDLO COc1cc(CN2CC[NH+](CCOc3ccccc3)CC2)c(O)cc1C ZINC000768442498 1000248948 /nfs/dbraw/zinc/24/89/48/1000248948.db2.gz RGSCUNNYRFKFIB-UHFFFAOYSA-N 1 2 356.466 2.906 20 10 FFCDLO COc1cccc(O)c1CN(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000769466292 1000528151 /nfs/dbraw/zinc/52/81/51/1000528151.db2.gz JGTICPDHYKMLMQ-UHFFFAOYSA-N 1 2 355.482 2.655 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001276191558 1016502823 /nfs/dbraw/zinc/50/28/23/1016502823.db2.gz LUSSTBOJBUWZCP-CWTRNNRKSA-N 1 2 366.408 2.605 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001276191558 1016502826 /nfs/dbraw/zinc/50/28/26/1016502826.db2.gz LUSSTBOJBUWZCP-CWTRNNRKSA-N 1 2 366.408 2.605 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276192773 1016506512 /nfs/dbraw/zinc/50/65/12/1016506512.db2.gz SCWDUUQTSILJAY-BFUOFWGJSA-N 1 2 368.424 2.520 20 10 FFCDLO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001276192773 1016506528 /nfs/dbraw/zinc/50/65/28/1016506528.db2.gz SCWDUUQTSILJAY-BFUOFWGJSA-N 1 2 368.424 2.520 20 10 FFCDLO CC/C=C\CC[NH+]1CC2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001276258843 1016637347 /nfs/dbraw/zinc/63/73/47/1016637347.db2.gz JIEYGVZJHRCEGD-WAYWQWQTSA-N 1 2 357.498 2.522 20 10 FFCDLO COc1cccc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1O ZINC000793689875 1003459783 /nfs/dbraw/zinc/45/97/83/1003459783.db2.gz PAZGCGDABXASOW-UHFFFAOYSA-N 1 2 361.348 2.654 20 10 FFCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001193603600 1004537030 /nfs/dbraw/zinc/53/70/30/1004537030.db2.gz OZYJEUSGUNHGDR-JKSUJKDBSA-N 1 2 373.840 2.635 20 10 FFCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001193603600 1004537036 /nfs/dbraw/zinc/53/70/36/1004537036.db2.gz OZYJEUSGUNHGDR-JKSUJKDBSA-N 1 2 373.840 2.635 20 10 FFCDLO CC[N@H+](CCC(F)(F)F)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000748306609 1017064457 /nfs/dbraw/zinc/06/44/57/1017064457.db2.gz WXWLDXRLDCTZIO-UHFFFAOYSA-N 1 2 373.419 2.618 20 10 FFCDLO CC[N@@H+](CCC(F)(F)F)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000748306609 1017064468 /nfs/dbraw/zinc/06/44/68/1017064468.db2.gz WXWLDXRLDCTZIO-UHFFFAOYSA-N 1 2 373.419 2.618 20 10 FFCDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001206243778 1032197889 /nfs/dbraw/zinc/19/78/89/1032197889.db2.gz GBULMKPUYNBVGP-HNNXBMFYSA-N 1 2 363.811 2.642 20 10 FFCDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001206243778 1032197890 /nfs/dbraw/zinc/19/78/90/1032197890.db2.gz GBULMKPUYNBVGP-HNNXBMFYSA-N 1 2 363.811 2.642 20 10 FFCDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000137313247 1008597569 /nfs/dbraw/zinc/59/75/69/1008597569.db2.gz BEFASEYWEDCXTB-UHFFFAOYSA-N 1 2 373.526 2.668 20 10 FFCDLO C/C(=C/C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C[NH+]1CCOCC1 ZINC000900125889 1020207971 /nfs/dbraw/zinc/20/79/71/1020207971.db2.gz ZDFBTTRJPXRZCI-VKAVYKQESA-N 1 2 357.498 2.522 20 10 FFCDLO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3CC[NH2+]CC3(F)F)cccc21 ZINC001218008011 1032948906 /nfs/dbraw/zinc/94/89/06/1032948906.db2.gz UIAOCRQDRVWJFM-AWEZNQCLSA-N 1 2 359.328 2.544 20 10 FFCDLO COC[C@H]1C[N@H+](Cc2c(O)cccc2F)CCN1C(=O)OC(C)(C)C ZINC001137833151 1033167044 /nfs/dbraw/zinc/16/70/44/1033167044.db2.gz VDIATSQIELUOHG-CYBMUJFWSA-N 1 2 354.422 2.599 20 10 FFCDLO COC[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCN1C(=O)OC(C)(C)C ZINC001137833151 1033167052 /nfs/dbraw/zinc/16/70/52/1033167052.db2.gz VDIATSQIELUOHG-CYBMUJFWSA-N 1 2 354.422 2.599 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCCCCC3)CC2)cc1F ZINC000084866895 1025152323 /nfs/dbraw/zinc/15/23/23/1025152323.db2.gz DIINPDUAVPAFAW-INIZCTEOSA-N 1 2 363.477 2.747 20 10 FFCDLO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)Cc2cc(O)ccc2O)cn1 ZINC001141158597 1025540084 /nfs/dbraw/zinc/54/00/84/1025540084.db2.gz GFQKKIGJSGLYRH-UHFFFAOYSA-N 1 2 369.469 2.867 20 10 FFCDLO CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)Cc2cc(O)ccc2O)cn1 ZINC001141158597 1025540097 /nfs/dbraw/zinc/54/00/97/1025540097.db2.gz GFQKKIGJSGLYRH-UHFFFAOYSA-N 1 2 369.469 2.867 20 10 FFCDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(F)c1O ZINC001138123917 1033801799 /nfs/dbraw/zinc/80/17/99/1033801799.db2.gz RMUDJMWVQRZIIG-AWEZNQCLSA-N 1 2 354.422 2.599 20 10 FFCDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(F)c1O ZINC001138123917 1033801809 /nfs/dbraw/zinc/80/18/09/1033801809.db2.gz RMUDJMWVQRZIIG-AWEZNQCLSA-N 1 2 354.422 2.599 20 10 FFCDLO Cc1cnc(O[C@@H]2CC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)nc1 ZINC001139129920 1034959239 /nfs/dbraw/zinc/95/92/39/1034959239.db2.gz KGEITHDVHJRHRK-CQSZACIVSA-N 1 2 367.405 2.559 20 10 FFCDLO Cc1cnc(O[C@@H]2CC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)nc1 ZINC001139129920 1034959250 /nfs/dbraw/zinc/95/92/50/1034959250.db2.gz KGEITHDVHJRHRK-CQSZACIVSA-N 1 2 367.405 2.559 20 10 FFCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1O ZINC001140060507 1035326786 /nfs/dbraw/zinc/32/67/86/1035326786.db2.gz ZKJKOZKBUCSSBS-IBGZPJMESA-N 1 2 372.440 2.781 20 10 FFCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1O ZINC001140060507 1035326792 /nfs/dbraw/zinc/32/67/92/1035326792.db2.gz ZKJKOZKBUCSSBS-IBGZPJMESA-N 1 2 372.440 2.781 20 10 FFCDLO CC(C)(C)OC(=O)NCCN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140462993 1035484474 /nfs/dbraw/zinc/48/44/74/1035484474.db2.gz RHFQLRQYKCSESZ-UHFFFAOYSA-N 1 2 369.893 2.688 20 10 FFCDLO Oc1cc(O)c(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1Cl ZINC001232259756 1035531739 /nfs/dbraw/zinc/53/17/39/1035531739.db2.gz IUNBCVYUSXIEMU-HUUCEWRRSA-N 1 2 359.857 2.710 20 10 FFCDLO C[N@@H+]1[C@@H]2C[C@H](Oc3c(O)c(O)ccc3C(=O)c3ccccc3)[C@H]1CC(=O)C2 ZINC001227937353 1035822679 /nfs/dbraw/zinc/82/26/79/1035822679.db2.gz ITAPQYGEIZAQQN-XCRHUMRWSA-N 1 2 367.401 2.512 20 10 FFCDLO C[N@H+]1[C@@H]2C[C@H](Oc3c(O)c(O)ccc3C(=O)c3ccccc3)[C@H]1CC(=O)C2 ZINC001227937353 1035822697 /nfs/dbraw/zinc/82/26/97/1035822697.db2.gz ITAPQYGEIZAQQN-XCRHUMRWSA-N 1 2 367.401 2.512 20 10 FFCDLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014716 1036249543 /nfs/dbraw/zinc/24/95/43/1036249543.db2.gz BVAINFHLFWVYDN-DGCLKSJQSA-N 1 2 352.431 2.681 20 10 FFCDLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014716 1036249555 /nfs/dbraw/zinc/24/95/55/1036249555.db2.gz BVAINFHLFWVYDN-DGCLKSJQSA-N 1 2 352.431 2.681 20 10 FFCDLO O=C1NCCCC12CC[NH+](Cc1c(O)cc(Br)cc1F)CC2 ZINC001233031351 1036272429 /nfs/dbraw/zinc/27/24/29/1036272429.db2.gz CCJPYHVPHFNNLT-UHFFFAOYSA-N 1 2 371.250 2.786 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3ccc(N(C)C)cc3Cl)CC2)ncn1 ZINC001140926379 1036464775 /nfs/dbraw/zinc/46/47/75/1036464775.db2.gz LCYOWAUDAIZXPB-UHFFFAOYSA-N 1 2 361.877 2.527 20 10 FFCDLO OC[C@@]1(F)CCC[N@@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001235057743 1037329755 /nfs/dbraw/zinc/32/97/55/1037329755.db2.gz RUQPULJYQDBYTR-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(Br)c3O)C2)O1 ZINC001235305197 1037462987 /nfs/dbraw/zinc/46/29/87/1037462987.db2.gz KCHMNWMZPDUHOF-OAHLLOKOSA-N 1 2 358.207 2.965 20 10 FFCDLO O=C1CC[C@@]2(CCC[N@H+](Cc3cc(F)cc(Br)c3O)C2)O1 ZINC001235305197 1037462998 /nfs/dbraw/zinc/46/29/98/1037462998.db2.gz KCHMNWMZPDUHOF-OAHLLOKOSA-N 1 2 358.207 2.965 20 10 FFCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001231910369 1038002402 /nfs/dbraw/zinc/00/24/02/1038002402.db2.gz ODIZWZVFZUKOIC-BEFAXECRSA-N 1 2 360.841 2.968 20 10 FFCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001231910369 1038002424 /nfs/dbraw/zinc/00/24/24/1038002424.db2.gz ODIZWZVFZUKOIC-BEFAXECRSA-N 1 2 360.841 2.968 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)CCS1 ZINC001236670569 1038182993 /nfs/dbraw/zinc/18/29/93/1038182993.db2.gz MNIXBGDLKSHLPO-ZDUSSCGKSA-N 1 2 374.300 2.944 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)CCS1 ZINC001236670569 1038182996 /nfs/dbraw/zinc/18/29/96/1038182996.db2.gz MNIXBGDLKSHLPO-ZDUSSCGKSA-N 1 2 374.300 2.944 20 10 FFCDLO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(OC)c(Cl)c3O)C2)n1 ZINC001236818472 1038290629 /nfs/dbraw/zinc/29/06/29/1038290629.db2.gz NBRHYMMFEZOGKF-GFCCVEGCSA-N 1 2 365.817 2.506 20 10 FFCDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001278025245 1038345613 /nfs/dbraw/zinc/34/56/13/1038345613.db2.gz OXLHPANEMOKLFP-LBPRGKRZSA-N 1 2 372.387 2.623 20 10 FFCDLO CCOC(=O)c1ncn2c1C[N@H+](Cc1ccc(OCC)cc1O)CCC2 ZINC001237043562 1038419798 /nfs/dbraw/zinc/41/97/98/1038419798.db2.gz IDEYTQLFMVDYDG-UHFFFAOYSA-N 1 2 359.426 2.570 20 10 FFCDLO CCOC(=O)c1ncn2c1C[N@@H+](Cc1ccc(OCC)cc1O)CCC2 ZINC001237043562 1038419803 /nfs/dbraw/zinc/41/98/03/1038419803.db2.gz IDEYTQLFMVDYDG-UHFFFAOYSA-N 1 2 359.426 2.570 20 10 FFCDLO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)ccc(Cl)c2Cl)O1 ZINC001237079298 1038438392 /nfs/dbraw/zinc/43/83/92/1038438392.db2.gz AJKPTEIMUPFWIN-YUELXQCFSA-N 1 2 373.280 2.955 20 10 FFCDLO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)ccc(Cl)c2Cl)O1 ZINC001237079298 1038438393 /nfs/dbraw/zinc/43/83/93/1038438393.db2.gz AJKPTEIMUPFWIN-YUELXQCFSA-N 1 2 373.280 2.955 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc4c(cn3)OCCC4)CC2)c(OC)c1 ZINC001209506567 1038939295 /nfs/dbraw/zinc/93/92/95/1038939295.db2.gz SIADWLCQRHCEML-UHFFFAOYSA-N 1 2 369.465 2.746 20 10 FFCDLO c1cc(OCC[NH+]2CCOCC2)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209767047 1039201990 /nfs/dbraw/zinc/20/19/90/1039201990.db2.gz ZVTJWCARQJGFRD-UHFFFAOYSA-N 1 2 355.438 2.946 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC001258387398 1039346812 /nfs/dbraw/zinc/34/68/12/1039346812.db2.gz BZTQLRLDTZIZDD-KDOFPFPSSA-N 1 2 373.449 2.801 20 10 FFCDLO Cc1cc(C[NH+]2CCN(c3ncccn3)CC2)c(O)cc1Br ZINC001250117790 1041120231 /nfs/dbraw/zinc/12/02/31/1041120231.db2.gz RIKGTBNUQFFNQL-UHFFFAOYSA-N 1 2 363.259 2.575 20 10 FFCDLO O=C(Cc1ccsc1)N1CCC2(C[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001279421402 1043093247 /nfs/dbraw/zinc/09/32/47/1043093247.db2.gz HINORYUSKOSBGH-UHFFFAOYSA-N 1 2 360.454 2.870 20 10 FFCDLO COc1cc(C[NH+]2CC(N3Cc4ccccc4NC3=O)C2)c(O)c(OC)c1 ZINC001237686433 1043312761 /nfs/dbraw/zinc/31/27/61/1043312761.db2.gz ZDYWDBYZVCIDQE-UHFFFAOYSA-N 1 2 369.421 2.641 20 10 FFCDLO O=S(=O)(Nc1ccccc1C1=CC[NH2+]CC1)c1cccc2nsnc21 ZINC001237829949 1043387265 /nfs/dbraw/zinc/38/72/65/1043387265.db2.gz VRUDAPSTEXRRFD-UHFFFAOYSA-N 1 2 372.475 2.869 20 10 FFCDLO COC(=O)c1[nH]c(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)cc1C ZINC001308579496 1052473103 /nfs/dbraw/zinc/47/31/03/1052473103.db2.gz BHLTVHCCIVSPMM-UHFFFAOYSA-N 1 2 361.417 2.580 20 10 FFCDLO CN(C)c1ccc([C@H](CNC(=O)c2c(O)cc(F)cc2F)[NH+](C)C)cc1 ZINC001472631036 1058919914 /nfs/dbraw/zinc/91/99/14/1058919914.db2.gz SOMYOCDPSSTFMQ-INIZCTEOSA-N 1 2 363.408 2.769 20 10 FFCDLO NC(=O)N=Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC001454727834 1059619009 /nfs/dbraw/zinc/61/90/09/1059619009.db2.gz RRPVOLLMISVJJH-UHFFFAOYSA-N 1 2 367.409 2.513 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+]Cc1cc[nH]n1 ZINC001560257959 1076256951 /nfs/dbraw/zinc/25/69/51/1076256951.db2.gz OOYSCZJFBGIMAM-UHFFFAOYSA-N 1 2 361.037 2.930 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000359995313 210205510 /nfs/dbraw/zinc/20/55/10/210205510.db2.gz CVVZSURYGSISHW-KGLIPLIRSA-N 1 2 372.259 2.616 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000359995313 210205513 /nfs/dbraw/zinc/20/55/13/210205513.db2.gz CVVZSURYGSISHW-KGLIPLIRSA-N 1 2 372.259 2.616 20 10 FFCDLO O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106543227 508402100 /nfs/dbraw/zinc/40/21/00/508402100.db2.gz BCFFPZFJIBHYTP-SFHVURJKSA-N 1 2 369.469 2.683 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)cc1OC ZINC000159930405 508913161 /nfs/dbraw/zinc/91/31/61/508913161.db2.gz KKKVJFJKWPASCX-UHFFFAOYSA-N 1 2 374.437 2.577 20 10 FFCDLO COc1ccc(N2CCCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000170871291 509823720 /nfs/dbraw/zinc/82/37/20/509823720.db2.gz DIHUJTCKWHFRMV-UHFFFAOYSA-N 1 2 350.422 2.695 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3ccc(F)cn3)CC2)cc(OC)c1OC ZINC000276241964 510930800 /nfs/dbraw/zinc/93/08/00/510930800.db2.gz OOFMKHBBHFOZIL-UHFFFAOYSA-N 1 2 361.417 2.569 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278238704 510986734 /nfs/dbraw/zinc/98/67/34/510986734.db2.gz NQFTXOVEIANMMM-AWEZNQCLSA-N 1 2 350.396 2.944 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCO[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278238704 510986739 /nfs/dbraw/zinc/98/67/39/510986739.db2.gz NQFTXOVEIANMMM-AWEZNQCLSA-N 1 2 350.396 2.944 20 10 FFCDLO CC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1O ZINC000287529814 511052175 /nfs/dbraw/zinc/05/21/75/511052175.db2.gz DPRUMNPMGUCUSE-INIZCTEOSA-N 1 2 368.886 2.976 20 10 FFCDLO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2O)NC(=O)NC1=O ZINC000289953990 511121447 /nfs/dbraw/zinc/12/14/47/511121447.db2.gz YWRUTGYCSKUVCN-ZBEGNZNMSA-N 1 2 372.252 2.652 20 10 FFCDLO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2O)NC(=O)NC1=O ZINC000289953990 511121451 /nfs/dbraw/zinc/12/14/51/511121451.db2.gz YWRUTGYCSKUVCN-ZBEGNZNMSA-N 1 2 372.252 2.652 20 10 FFCDLO CC(=O)NCC[N@H+](Cc1cccc(Cl)c1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272823298 511508326 /nfs/dbraw/zinc/50/83/26/511508326.db2.gz GWBQBWBWOZBIMB-LBPRGKRZSA-N 1 2 370.877 2.714 20 10 FFCDLO CC(=O)NCC[N@@H+](Cc1cccc(Cl)c1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272823298 511508328 /nfs/dbraw/zinc/50/83/28/511508328.db2.gz GWBQBWBWOZBIMB-LBPRGKRZSA-N 1 2 370.877 2.714 20 10 FFCDLO COc1nccnc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296230322 511664142 /nfs/dbraw/zinc/66/41/42/511664142.db2.gz CERCNVLFGAKWNX-OKILXGFUSA-N 1 2 360.433 2.528 20 10 FFCDLO CCc1cc(NC2CC[NH+](c3ccc(OC)cc3)CC2)n2ncnc2n1 ZINC000301182737 511688881 /nfs/dbraw/zinc/68/88/81/511688881.db2.gz NTIWVNYTWVTKMJ-UHFFFAOYSA-N 1 2 352.442 2.776 20 10 FFCDLO COc1ccc(N2CCN(c3nc(C(C)C)[nH+]c(N(C)C)n3)CC2)cc1F ZINC000301973896 511704956 /nfs/dbraw/zinc/70/49/56/511704956.db2.gz VFNXSEVQLPOVPU-UHFFFAOYSA-N 1 2 374.464 2.535 20 10 FFCDLO COc1ccc(N2CCN(c3nc(N(C)C)nc(C(C)C)[nH+]3)CC2)cc1F ZINC000301973896 511704957 /nfs/dbraw/zinc/70/49/57/511704957.db2.gz VFNXSEVQLPOVPU-UHFFFAOYSA-N 1 2 374.464 2.535 20 10 FFCDLO CC(C)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nc(-c2nc[nH]n2)no1 ZINC000293539287 512002892 /nfs/dbraw/zinc/00/28/92/512002892.db2.gz FSXGZNLVWHVHLI-LBPRGKRZSA-N 1 2 366.784 2.840 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000372957600 513114902 /nfs/dbraw/zinc/11/49/02/513114902.db2.gz ZZCHZEUHSWMURO-INIZCTEOSA-N 1 2 360.366 2.588 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000372957600 513114903 /nfs/dbraw/zinc/11/49/03/513114903.db2.gz ZZCHZEUHSWMURO-INIZCTEOSA-N 1 2 360.366 2.588 20 10 FFCDLO c1csc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000119894551 728602110 /nfs/dbraw/zinc/60/21/10/728602110.db2.gz SBARXHHHGQTAHA-UHFFFAOYSA-N 1 2 357.523 2.903 20 10 FFCDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122108889 728643936 /nfs/dbraw/zinc/64/39/36/728643936.db2.gz YPCPPBZCEHCQQZ-CQSZACIVSA-N 1 2 351.466 2.650 20 10 FFCDLO Oc1cccc(Br)c1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000858088289 730416215 /nfs/dbraw/zinc/41/62/15/730416215.db2.gz XYRDNWVYQUNINL-UHFFFAOYSA-N 1 2 351.248 2.762 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1c(O)cccc1Br ZINC000862338219 730689892 /nfs/dbraw/zinc/68/98/92/730689892.db2.gz MYUCPDFFDVPHND-HFAKWTLXSA-N 1 2 354.244 2.928 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1c(O)cccc1Br ZINC000862338219 730689893 /nfs/dbraw/zinc/68/98/93/730689893.db2.gz MYUCPDFFDVPHND-HFAKWTLXSA-N 1 2 354.244 2.928 20 10 FFCDLO C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Br)cc(F)c1O ZINC000866496122 731067200 /nfs/dbraw/zinc/06/72/00/731067200.db2.gz LXONMGWWWOFJOP-VIFPVBQESA-N 1 2 367.222 2.623 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+](C)CC(=O)NCc2ccco2)c1 ZINC000781893962 738668311 /nfs/dbraw/zinc/66/83/11/738668311.db2.gz ASXICXKNRWXXJK-UHFFFAOYSA-N 1 2 367.243 2.804 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)CC(=O)NCc2ccco2)c1 ZINC000781893962 738668314 /nfs/dbraw/zinc/66/83/14/738668314.db2.gz ASXICXKNRWXXJK-UHFFFAOYSA-N 1 2 367.243 2.804 20 10 FFCDLO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(=O)NCc1ccco1 ZINC000882992755 733319122 /nfs/dbraw/zinc/31/91/22/733319122.db2.gz LTDYWRRNZLVQSR-VIFPVBQESA-N 1 2 371.206 2.681 20 10 FFCDLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000882995548 733319602 /nfs/dbraw/zinc/31/96/02/733319602.db2.gz CHFLKPOSZIOEIF-QMMMGPOBSA-N 1 2 370.696 2.721 20 10 FFCDLO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000886220394 733761147 /nfs/dbraw/zinc/76/11/47/733761147.db2.gz HKUCNNLKIYXYQT-RYUDHWBXSA-N 1 2 364.667 2.828 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000886799937 733839318 /nfs/dbraw/zinc/83/93/18/733839318.db2.gz ZSOOYJNZGZLTTB-CQSZACIVSA-N 1 2 351.752 2.995 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000886799937 733839322 /nfs/dbraw/zinc/83/93/22/733839322.db2.gz ZSOOYJNZGZLTTB-CQSZACIVSA-N 1 2 351.752 2.995 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000894448117 734859815 /nfs/dbraw/zinc/85/98/15/734859815.db2.gz CBOPZSYMMUEQDQ-UHFFFAOYSA-N 1 2 374.250 2.923 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000894448117 734859817 /nfs/dbraw/zinc/85/98/17/734859817.db2.gz CBOPZSYMMUEQDQ-UHFFFAOYSA-N 1 2 374.250 2.923 20 10 FFCDLO O=C1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3O)CC[C@H]2N1 ZINC000895258125 734982436 /nfs/dbraw/zinc/98/24/36/734982436.db2.gz BPENHWJONXLBNX-NOZJJQNGSA-N 1 2 373.678 2.909 20 10 FFCDLO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)CC[C@H]2N1 ZINC000895258125 734982439 /nfs/dbraw/zinc/98/24/39/734982439.db2.gz BPENHWJONXLBNX-NOZJJQNGSA-N 1 2 373.678 2.909 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895700428 735042259 /nfs/dbraw/zinc/04/22/59/735042259.db2.gz RFWBWZHZMBMSHL-UHFFFAOYSA-N 1 2 360.223 2.675 20 10 FFCDLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000895847372 735063541 /nfs/dbraw/zinc/06/35/41/735063541.db2.gz URIZJTWGBGBRDV-LBPRGKRZSA-N 1 2 354.166 2.901 20 10 FFCDLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000895847372 735063544 /nfs/dbraw/zinc/06/35/44/735063544.db2.gz URIZJTWGBGBRDV-LBPRGKRZSA-N 1 2 354.166 2.901 20 10 FFCDLO CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)c1ccc(OC)cc1 ZINC000747814251 735593651 /nfs/dbraw/zinc/59/36/51/735593651.db2.gz XLLHJQFECQVASB-ATVHPVEESA-N 1 2 364.467 2.501 20 10 FFCDLO CC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)c1ccc(OC)cc1 ZINC000747814251 735593652 /nfs/dbraw/zinc/59/36/52/735593652.db2.gz XLLHJQFECQVASB-ATVHPVEESA-N 1 2 364.467 2.501 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)c(F)cc1O ZINC000756533436 736339413 /nfs/dbraw/zinc/33/94/13/736339413.db2.gz HZVDSVDKZKIRJN-GHMZBOCLSA-N 1 2 361.255 2.665 20 10 FFCDLO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756554161 736342224 /nfs/dbraw/zinc/34/22/24/736342224.db2.gz OFAVXPZEDFTQOB-MNOVXSKESA-N 1 2 361.255 2.665 20 10 FFCDLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000758301414 736473612 /nfs/dbraw/zinc/47/36/12/736473612.db2.gz PSSZIZLEJWCYBV-UHFFFAOYSA-N 1 2 351.855 2.968 20 10 FFCDLO O=C(NCCCSc1nccs1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000759591041 736579255 /nfs/dbraw/zinc/57/92/55/736579255.db2.gz TUDFBUUTMOGUOX-UHFFFAOYSA-N 1 2 351.501 2.938 20 10 FFCDLO O=C(NCCCSc1nccs1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000759591041 736579259 /nfs/dbraw/zinc/57/92/59/736579259.db2.gz TUDFBUUTMOGUOX-UHFFFAOYSA-N 1 2 351.501 2.938 20 10 FFCDLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000764952681 737067074 /nfs/dbraw/zinc/06/70/74/737067074.db2.gz BLNDUKPXSBMFHT-UGSOOPFHSA-N 1 2 360.479 2.758 20 10 FFCDLO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)c(F)cc1O ZINC000774384869 737985998 /nfs/dbraw/zinc/98/59/98/737985998.db2.gz REMBRTNQDKZCBX-NSHDSACASA-N 1 2 373.266 2.809 20 10 FFCDLO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(Cl)c1O ZINC000776214148 738171443 /nfs/dbraw/zinc/17/14/43/738171443.db2.gz KKORAWPDJPTGPV-KRWDZBQOSA-N 1 2 357.841 2.974 20 10 FFCDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NCc1ccccc1O ZINC000785864726 739005598 /nfs/dbraw/zinc/00/55/98/739005598.db2.gz MNAIBUZSYGDBEO-UHFFFAOYSA-N 1 2 359.857 2.903 20 10 FFCDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NCc1ccccc1O ZINC000785864726 739005602 /nfs/dbraw/zinc/00/56/02/739005602.db2.gz MNAIBUZSYGDBEO-UHFFFAOYSA-N 1 2 359.857 2.903 20 10 FFCDLO NC(=O)C[N@@H+]1CCc2ccc(NCc3c(O)ccc(Cl)c3F)cc2C1 ZINC000788528344 739255316 /nfs/dbraw/zinc/25/53/16/739255316.db2.gz AEKYIAJTRBWFGK-UHFFFAOYSA-N 1 2 363.820 2.640 20 10 FFCDLO NC(=O)C[N@H+]1CCc2ccc(NCc3c(O)ccc(Cl)c3F)cc2C1 ZINC000788528344 739255322 /nfs/dbraw/zinc/25/53/22/739255322.db2.gz AEKYIAJTRBWFGK-UHFFFAOYSA-N 1 2 363.820 2.640 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000792840347 739711660 /nfs/dbraw/zinc/71/16/60/739711660.db2.gz GNFQHCDJUMVUSJ-AWEZNQCLSA-N 1 2 357.376 2.798 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000792840347 739711663 /nfs/dbraw/zinc/71/16/63/739711663.db2.gz GNFQHCDJUMVUSJ-AWEZNQCLSA-N 1 2 357.376 2.798 20 10 FFCDLO C[C@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@]2(CCCOC2)O1 ZINC000796031274 740094072 /nfs/dbraw/zinc/09/40/72/740094072.db2.gz IXNKGPJRQKQZLI-LRDDRELGSA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@]2(CCCOC2)O1 ZINC000796031274 740094075 /nfs/dbraw/zinc/09/40/75/740094075.db2.gz IXNKGPJRQKQZLI-LRDDRELGSA-N 1 2 356.260 2.925 20 10 FFCDLO CC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(Cl)c1O ZINC000806138720 741042917 /nfs/dbraw/zinc/04/29/17/741042917.db2.gz ALTZJIAOBIDLMK-INIZCTEOSA-N 1 2 374.934 2.595 20 10 FFCDLO O=C(CCCC[NH+]1CCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807840636 741163381 /nfs/dbraw/zinc/16/33/81/741163381.db2.gz GZDNDBUDHFSFSZ-UHFFFAOYSA-N 1 2 361.269 2.818 20 10 FFCDLO Oc1ccc(F)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1F ZINC000816536158 742040071 /nfs/dbraw/zinc/04/00/71/742040071.db2.gz NDKDVAPBVXGUOH-UHFFFAOYSA-N 1 2 352.356 2.936 20 10 FFCDLO COC[C@]1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CCC[NH2+]1 ZINC000817974449 742225947 /nfs/dbraw/zinc/22/59/47/742225947.db2.gz MBACCRXFLANAKX-MEBBXXQBSA-N 1 2 361.255 2.713 20 10 FFCDLO COC[C@]1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CCC[NH2+]1 ZINC000817974450 742226041 /nfs/dbraw/zinc/22/60/41/742226041.db2.gz MBACCRXFLANAKX-ZUZCIYMTSA-N 1 2 361.255 2.713 20 10 FFCDLO Oc1c(Br)cccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000827515409 743592172 /nfs/dbraw/zinc/59/21/72/743592172.db2.gz FWOLBNGJEMUNKQ-UHFFFAOYSA-N 1 2 369.303 2.699 20 10 FFCDLO Oc1c(Br)cccc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000827515409 743592178 /nfs/dbraw/zinc/59/21/78/743592178.db2.gz FWOLBNGJEMUNKQ-UHFFFAOYSA-N 1 2 369.303 2.699 20 10 FFCDLO CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cccc(Cl)c1O ZINC000840781114 747181777 /nfs/dbraw/zinc/18/17/77/747181777.db2.gz QVHMMKKLALDYFV-KRWDZBQOSA-N 1 2 368.905 2.968 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)c(F)cc1O ZINC000846205656 748429836 /nfs/dbraw/zinc/42/98/36/748429836.db2.gz JGNWMKIHTSABRE-UWVGGRQHSA-N 1 2 371.250 2.955 20 10 FFCDLO COC(=O)C[N@H+](CC[C@H]1COC(C)(C)O1)Cc1cc(Cl)ccc1O ZINC000851841400 749699242 /nfs/dbraw/zinc/69/92/42/749699242.db2.gz QVGUFAQAEGATKL-AWEZNQCLSA-N 1 2 357.834 2.562 20 10 FFCDLO COC(=O)C[N@@H+](CC[C@H]1COC(C)(C)O1)Cc1cc(Cl)ccc1O ZINC000851841400 749699244 /nfs/dbraw/zinc/69/92/44/749699244.db2.gz QVGUFAQAEGATKL-AWEZNQCLSA-N 1 2 357.834 2.562 20 10 FFCDLO COc1ccc(N2CCCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)cc1 ZINC000895809183 970959586 /nfs/dbraw/zinc/95/95/86/970959586.db2.gz HLIODFFPVLLLPS-UHFFFAOYSA-N 1 2 356.470 2.674 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)C2CC(O)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000759874877 971865415 /nfs/dbraw/zinc/86/54/15/971865415.db2.gz PWNVKUWWQZCXIX-UHFFFAOYSA-N 1 2 370.449 2.503 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)C2CC(O)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000759874877 971865424 /nfs/dbraw/zinc/86/54/24/971865424.db2.gz PWNVKUWWQZCXIX-UHFFFAOYSA-N 1 2 370.449 2.503 20 10 FFCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000588404555 963580861 /nfs/dbraw/zinc/58/08/61/963580861.db2.gz JCMLYUGZRPMKCV-RGSRAZRCSA-N 1 2 364.445 2.969 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000876551099 1014299053 /nfs/dbraw/zinc/29/90/53/1014299053.db2.gz KBEMPYRLCVMUAL-SFHVURJKSA-N 1 2 357.502 2.793 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000876551099 1014299060 /nfs/dbraw/zinc/29/90/60/1014299060.db2.gz KBEMPYRLCVMUAL-SFHVURJKSA-N 1 2 357.502 2.793 20 10 FFCDLO CN(C)c1ccc(C[N@H+](Cc2cn(C[C@H]3CCCO3)nn2)C2CC2)cc1 ZINC000876570466 1014307394 /nfs/dbraw/zinc/30/73/94/1014307394.db2.gz CZUPSVOTPJPZFX-HXUWFJFHSA-N 1 2 355.486 2.688 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](Cc2cn(C[C@H]3CCCO3)nn2)C2CC2)cc1 ZINC000876570466 1014307407 /nfs/dbraw/zinc/30/74/07/1014307407.db2.gz CZUPSVOTPJPZFX-HXUWFJFHSA-N 1 2 355.486 2.688 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000796580620 1014411376 /nfs/dbraw/zinc/41/13/76/1014411376.db2.gz RFXWCXPZKZWHJB-UZLBHIALSA-N 1 2 374.456 2.888 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000796580620 1014411382 /nfs/dbraw/zinc/41/13/82/1014411382.db2.gz RFXWCXPZKZWHJB-UZLBHIALSA-N 1 2 374.456 2.888 20 10 FFCDLO OC1CCN(c2ccc(C[NH2+]Cc3nc(-c4ccccc4)no3)cc2)CC1 ZINC000877377454 1014566359 /nfs/dbraw/zinc/56/63/59/1014566359.db2.gz MMMCJWDPYHLLDG-UHFFFAOYSA-N 1 2 364.449 2.988 20 10 FFCDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877706532 1014693423 /nfs/dbraw/zinc/69/34/23/1014693423.db2.gz NOFFPNKGHAAGCP-INIZCTEOSA-N 1 2 365.477 2.991 20 10 FFCDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877706532 1014693427 /nfs/dbraw/zinc/69/34/27/1014693427.db2.gz NOFFPNKGHAAGCP-INIZCTEOSA-N 1 2 365.477 2.991 20 10 FFCDLO C[NH+](C)Cc1csc(CNC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000914180213 987345285 /nfs/dbraw/zinc/34/52/85/987345285.db2.gz IIDVWXKUOCSZCG-UHFFFAOYSA-N 1 2 373.526 2.804 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C[NH+]3CCOCC3)c2C)cc1 ZINC000915626842 988822413 /nfs/dbraw/zinc/82/24/13/988822413.db2.gz XVFKUYNMHJDSLI-HNNXBMFYSA-N 1 2 371.481 2.553 20 10 FFCDLO CCOCc1cc(C[NH2+]C2(c3ncccn3)CCOCC2)ccc1OC ZINC000923009903 990790496 /nfs/dbraw/zinc/79/04/96/990790496.db2.gz PUTBRQPPILMOTJ-UHFFFAOYSA-N 1 2 357.454 2.817 20 10 FFCDLO O=C1COc2c[nH+]c(NCc3cc(Cl)c4cccnc4c3O)cc2N1 ZINC001168527463 993232782 /nfs/dbraw/zinc/23/27/82/993232782.db2.gz IXXDOLIPVKDRQX-UHFFFAOYSA-N 1 2 356.769 2.932 20 10 FFCDLO O=C1CCC[C@]2(CCC[N@@H+](Cc3cc(Br)c(F)cc3O)C2)N1 ZINC001144301721 998296770 /nfs/dbraw/zinc/29/67/70/998296770.db2.gz TWBHQGHFJJIYKC-MRXNPFEDSA-N 1 2 371.250 2.929 20 10 FFCDLO O=C1CCC[C@]2(CCC[N@H+](Cc3cc(Br)c(F)cc3O)C2)N1 ZINC001144301721 998296779 /nfs/dbraw/zinc/29/67/79/998296779.db2.gz TWBHQGHFJJIYKC-MRXNPFEDSA-N 1 2 371.250 2.929 20 10 FFCDLO COc1ccc(N2CC[C@@H](COC(=O)Cc3cn4c([nH+]3)CCCC4)C2)cc1 ZINC000845612505 998616476 /nfs/dbraw/zinc/61/64/76/998616476.db2.gz XMVHCFWGDWOSNA-MRXNPFEDSA-N 1 2 369.465 2.840 20 10 FFCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)N1CCOC[C@H]1C1CC1 ZINC000766253599 999672183 /nfs/dbraw/zinc/67/21/83/999672183.db2.gz VOORGLOHNICFCG-IBGZPJMESA-N 1 2 370.449 2.625 20 10 FFCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)N1CCOC[C@H]1C1CC1 ZINC000766253599 999672186 /nfs/dbraw/zinc/67/21/86/999672186.db2.gz VOORGLOHNICFCG-IBGZPJMESA-N 1 2 370.449 2.625 20 10 FFCDLO O=C(NCc1ccccc1O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000740454224 999674682 /nfs/dbraw/zinc/67/46/82/999674682.db2.gz QTODRKWUUFHJRG-UHFFFAOYSA-N 1 2 352.394 2.989 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846261206 1000247025 /nfs/dbraw/zinc/24/70/25/1000247025.db2.gz OLPPPOPLIOIPLF-INIZCTEOSA-N 1 2 354.498 2.884 20 10 FFCDLO CN(C)c1ccc(CN(c2nc(N3CCOCC3)cc[nH+]2)C2CC2)cc1 ZINC000770443213 1000789929 /nfs/dbraw/zinc/78/99/29/1000789929.db2.gz CXKYLEAWDPHMEQ-UHFFFAOYSA-N 1 2 353.470 2.548 20 10 FFCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3Cc4ccccc4[C@@H]3C)CC2)cc1 ZINC000746671929 1001682451 /nfs/dbraw/zinc/68/24/51/1001682451.db2.gz QBHOEDHIIIHXQE-KRWDZBQOSA-N 1 2 365.477 2.921 20 10 FFCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3Cc4ccccc4[C@@H]3C)CC2)cc1 ZINC000746671929 1001682453 /nfs/dbraw/zinc/68/24/53/1001682453.db2.gz QBHOEDHIIIHXQE-KRWDZBQOSA-N 1 2 365.477 2.921 20 10 FFCDLO COc1ccc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c(O)c1 ZINC000794389424 1003623917 /nfs/dbraw/zinc/62/39/17/1003623917.db2.gz NMECBKMKJSGPTN-UHFFFAOYSA-N 1 2 361.348 2.654 20 10 FFCDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(O)c(O)c(Cl)c1 ZINC001193625287 1004527458 /nfs/dbraw/zinc/52/74/58/1004527458.db2.gz GQKAFTKSTIJPQR-UHFFFAOYSA-N 1 2 368.861 2.516 20 10 FFCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC001199178726 1004858136 /nfs/dbraw/zinc/85/81/36/1004858136.db2.gz DWZDIUDLCVQUPC-UHFFFAOYSA-N 1 2 351.809 2.706 20 10 FFCDLO O=C(CC1CCCCC1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000101537799 1004859930 /nfs/dbraw/zinc/85/99/30/1004859930.db2.gz CTPBAIFNPYUKSJ-UHFFFAOYSA-N 1 2 360.454 2.736 20 10 FFCDLO Cc1cc(C(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000852488859 1006050736 /nfs/dbraw/zinc/05/07/36/1006050736.db2.gz CIJYUPDVSGPFCT-FQEVSTJZSA-N 1 2 367.493 2.683 20 10 FFCDLO O=C(NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)C1=CC(=O)CS1 ZINC000855920310 1007640589 /nfs/dbraw/zinc/64/05/89/1007640589.db2.gz CFRFIQOYWATCIT-UHFFFAOYSA-N 1 2 357.479 2.538 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000858103529 1008302862 /nfs/dbraw/zinc/30/28/62/1008302862.db2.gz OEVMTZCKXFXDCV-UHFFFAOYSA-N 1 2 350.422 2.923 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000858526571 1008374676 /nfs/dbraw/zinc/37/46/76/1008374676.db2.gz FIKJNDJKQIUFOX-WCQYABFASA-N 1 2 372.412 2.957 20 10 FFCDLO CCOC(=O)CN(Cc1c[nH+]c2ccc(C)cn12)Cc1ccccc1O ZINC000822511579 1008662854 /nfs/dbraw/zinc/66/28/54/1008662854.db2.gz JJTXBQBVXZWHEX-UHFFFAOYSA-N 1 2 353.422 2.914 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH2+]C(c2ccnn2C)c2ccnn2C)c1O ZINC000860080184 1008818908 /nfs/dbraw/zinc/81/89/08/1008818908.db2.gz WWJLSRRGUIECFH-UHFFFAOYSA-N 1 2 373.844 2.594 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)CN2Cc3c(cccc3OC)C2=O)cc1 ZINC000863269891 1010150327 /nfs/dbraw/zinc/15/03/27/1010150327.db2.gz HWPCYDIDGDOIRF-UHFFFAOYSA-N 1 2 369.465 2.685 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)CN2Cc3c(cccc3OC)C2=O)cc1 ZINC000863269891 1010150337 /nfs/dbraw/zinc/15/03/37/1010150337.db2.gz HWPCYDIDGDOIRF-UHFFFAOYSA-N 1 2 369.465 2.685 20 10 FFCDLO CC(C)n1ncnc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000865419098 1010781688 /nfs/dbraw/zinc/78/16/88/1010781688.db2.gz UITNOCGQIZWOBC-GJZGRUSLSA-N 1 2 361.465 2.902 20 10 FFCDLO C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(C(F)(F)F)c1O ZINC000866627491 1011026305 /nfs/dbraw/zinc/02/63/05/1011026305.db2.gz BKBYLKRDJQEBKF-VIFPVBQESA-N 1 2 369.343 2.830 20 10 FFCDLO COc1c(C)c(O[C@@H]2C[NH2+]CC2(F)F)cc2c1C(=O)c1ccccc1C2=O ZINC001218237245 1033063923 /nfs/dbraw/zinc/06/39/23/1033063923.db2.gz UFLXNKJPLPOTQD-OAHLLOKOSA-N 1 2 373.355 2.765 20 10 FFCDLO Oc1ccc(F)cc1C[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000778996224 1022629026 /nfs/dbraw/zinc/62/90/26/1022629026.db2.gz KCZXADFVBAWHCQ-UHFFFAOYSA-N 1 2 368.412 2.899 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NCCc3c[nH+]cn3C)c2C)cc1 ZINC000753678032 1023366459 /nfs/dbraw/zinc/36/64/59/1023366459.db2.gz FFMAAMXUILPPKF-UHFFFAOYSA-N 1 2 352.438 2.809 20 10 FFCDLO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cc(F)cc(F)c1O ZINC000756360232 1023700363 /nfs/dbraw/zinc/70/03/63/1023700363.db2.gz GOXLZUCQSJZYFZ-LLVKDONJSA-N 1 2 367.396 2.576 20 10 FFCDLO C[N@@H+](Cc1c(O)cccc1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001137831661 1033164312 /nfs/dbraw/zinc/16/43/12/1033164312.db2.gz JEWANIOCBVZAPS-ZDUSSCGKSA-N 1 2 354.422 2.599 20 10 FFCDLO C[N@H+](Cc1c(O)cccc1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001137831661 1033164321 /nfs/dbraw/zinc/16/43/21/1033164321.db2.gz JEWANIOCBVZAPS-ZDUSSCGKSA-N 1 2 354.422 2.599 20 10 FFCDLO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1c(O)cccc1F ZINC001137839516 1033183507 /nfs/dbraw/zinc/18/35/07/1033183507.db2.gz AZHDCWJGKOKNFY-QGZVFWFLSA-N 1 2 372.440 2.781 20 10 FFCDLO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1c(O)cccc1F ZINC001137839516 1033183516 /nfs/dbraw/zinc/18/35/16/1033183516.db2.gz AZHDCWJGKOKNFY-QGZVFWFLSA-N 1 2 372.440 2.781 20 10 FFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779664406 1024385744 /nfs/dbraw/zinc/38/57/44/1024385744.db2.gz SZLYSCZNEPDMNJ-KRWDZBQOSA-N 1 2 355.486 2.884 20 10 FFCDLO CN1CCOc2cc(C[N@@H+]3CCO[C@H](COc4ccccc4)C3)ccc21 ZINC001141144980 1025521943 /nfs/dbraw/zinc/52/19/43/1025521943.db2.gz NDFRCNDOFYTQJV-IBGZPJMESA-N 1 2 354.450 2.795 20 10 FFCDLO CN1CCOc2cc(C[N@H+]3CCO[C@H](COc4ccccc4)C3)ccc21 ZINC001141144980 1025521948 /nfs/dbraw/zinc/52/19/48/1025521948.db2.gz NDFRCNDOFYTQJV-IBGZPJMESA-N 1 2 354.450 2.795 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840264724 1027026020 /nfs/dbraw/zinc/02/60/20/1027026020.db2.gz YAICWAMWIIGAIX-NVXWUHKLSA-N 1 2 355.486 2.670 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840264724 1027026028 /nfs/dbraw/zinc/02/60/28/1027026028.db2.gz YAICWAMWIIGAIX-NVXWUHKLSA-N 1 2 355.486 2.670 20 10 FFCDLO CC(=O)NCC[N@H+](Cc1cc(C)c(C)cc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000781529006 1029256639 /nfs/dbraw/zinc/25/66/39/1029256639.db2.gz IPMCJSCJCNEHIX-OAHLLOKOSA-N 1 2 364.486 2.677 20 10 FFCDLO CC(=O)NCC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000781529006 1029256646 /nfs/dbraw/zinc/25/66/46/1029256646.db2.gz IPMCJSCJCNEHIX-OAHLLOKOSA-N 1 2 364.486 2.677 20 10 FFCDLO Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)cc1O ZINC001203876890 1030950992 /nfs/dbraw/zinc/95/09/92/1030950992.db2.gz LIONHZXZLSNGLP-JTDSTZFVSA-N 1 2 356.422 2.551 20 10 FFCDLO Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)cc1O ZINC001203876890 1030951005 /nfs/dbraw/zinc/95/10/05/1030951005.db2.gz LIONHZXZLSNGLP-JTDSTZFVSA-N 1 2 356.422 2.551 20 10 FFCDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)cc(O)c1O ZINC001204351110 1031248393 /nfs/dbraw/zinc/24/83/93/1031248393.db2.gz MXYGMWJNRVHBND-MRXNPFEDSA-N 1 2 374.412 2.640 20 10 FFCDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)cc(O)c1O ZINC001204351110 1031248407 /nfs/dbraw/zinc/24/84/07/1031248407.db2.gz MXYGMWJNRVHBND-MRXNPFEDSA-N 1 2 374.412 2.640 20 10 FFCDLO COCC[NH+]1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000798224617 1031341327 /nfs/dbraw/zinc/34/13/27/1031341327.db2.gz ISAUKMJTHGYFDN-UHFFFAOYSA-N 1 2 355.482 2.541 20 10 FFCDLO CCCC[C@H]([NH2+]C)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218919939 1033409822 /nfs/dbraw/zinc/40/98/22/1033409822.db2.gz BHCLNCPDVOULKD-INIZCTEOSA-N 1 2 366.417 2.884 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001138388949 1034225515 /nfs/dbraw/zinc/22/55/15/1034225515.db2.gz BWGOSQVWBCBQGN-KRWDZBQOSA-N 1 2 354.516 2.550 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c(OC)c1 ZINC001138388949 1034225523 /nfs/dbraw/zinc/22/55/23/1034225523.db2.gz BWGOSQVWBCBQGN-KRWDZBQOSA-N 1 2 354.516 2.550 20 10 FFCDLO C[C@H](C[NH+](C)C)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227034046 1034916245 /nfs/dbraw/zinc/91/62/45/1034916245.db2.gz VLZQXEKQHJHVKZ-LLVKDONJSA-N 1 2 371.389 2.906 20 10 FFCDLO Cc1cccnc1N1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139127471 1034956872 /nfs/dbraw/zinc/95/68/72/1034956872.db2.gz WLOZKTRVKVXSAU-UHFFFAOYSA-N 1 2 365.433 2.833 20 10 FFCDLO Cc1noc(C2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)n1 ZINC001139130422 1034961388 /nfs/dbraw/zinc/96/13/88/1034961388.db2.gz DROGWKNTZLGYBZ-UHFFFAOYSA-N 1 2 355.394 2.878 20 10 FFCDLO Cc1cccc(O)c1C[N@@H+]1C[C@]2(F)CN(C3CCCC3)C(=O)[C@]2(F)C1 ZINC001277318938 1036237860 /nfs/dbraw/zinc/23/78/60/1036237860.db2.gz ZOYCHSDFYGKBOJ-RBUKOAKNSA-N 1 2 350.409 2.718 20 10 FFCDLO Cc1cccc(O)c1C[N@H+]1C[C@]2(F)CN(C3CCCC3)C(=O)[C@]2(F)C1 ZINC001277318938 1036237879 /nfs/dbraw/zinc/23/78/79/1036237879.db2.gz ZOYCHSDFYGKBOJ-RBUKOAKNSA-N 1 2 350.409 2.718 20 10 FFCDLO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001233010351 1036243223 /nfs/dbraw/zinc/24/32/23/1036243223.db2.gz PLHHLOPKOVAKLF-DGCLKSJQSA-N 1 2 352.431 2.539 20 10 FFCDLO C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001233010351 1036243239 /nfs/dbraw/zinc/24/32/39/1036243239.db2.gz PLHHLOPKOVAKLF-DGCLKSJQSA-N 1 2 352.431 2.539 20 10 FFCDLO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001233012494 1036247770 /nfs/dbraw/zinc/24/77/70/1036247770.db2.gz HVTDPAORPABYBX-UHFFFAOYSA-N 1 2 364.442 2.636 20 10 FFCDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@@H](c2ccccc2)C1 ZINC001233015209 1036251651 /nfs/dbraw/zinc/25/16/51/1036251651.db2.gz ILWBFOFRIXSBTF-JKSUJKDBSA-N 1 2 357.406 2.930 20 10 FFCDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)[C@@H](c2ccccc2)C1 ZINC001233015209 1036251659 /nfs/dbraw/zinc/25/16/59/1036251659.db2.gz ILWBFOFRIXSBTF-JKSUJKDBSA-N 1 2 357.406 2.930 20 10 FFCDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015429 1036252708 /nfs/dbraw/zinc/25/27/08/1036252708.db2.gz NLDWBQBZYXUEGL-AAEUAGOBSA-N 1 2 352.431 2.539 20 10 FFCDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015429 1036252720 /nfs/dbraw/zinc/25/27/20/1036252720.db2.gz NLDWBQBZYXUEGL-AAEUAGOBSA-N 1 2 352.431 2.539 20 10 FFCDLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015835 1036253279 /nfs/dbraw/zinc/25/32/79/1036253279.db2.gz BROISHIQWZVTPY-DGCLKSJQSA-N 1 2 352.431 2.681 20 10 FFCDLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015835 1036253284 /nfs/dbraw/zinc/25/32/84/1036253284.db2.gz BROISHIQWZVTPY-DGCLKSJQSA-N 1 2 352.431 2.681 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001233026702 1036267799 /nfs/dbraw/zinc/26/77/99/1036267799.db2.gz DAXZIVYKBDPUNC-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001233026702 1036267815 /nfs/dbraw/zinc/26/78/15/1036267815.db2.gz DAXZIVYKBDPUNC-CQSZACIVSA-N 1 2 350.203 2.980 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)Cc2c1cnn2C ZINC001233288745 1036494692 /nfs/dbraw/zinc/49/46/92/1036494692.db2.gz WDZQABFPROERTL-CYBMUJFWSA-N 1 2 365.861 2.924 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)Cc2c1cnn2C ZINC001233288745 1036494702 /nfs/dbraw/zinc/49/47/02/1036494702.db2.gz WDZQABFPROERTL-CYBMUJFWSA-N 1 2 365.861 2.924 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)Cc2nnn(C)c21 ZINC001233453414 1036633181 /nfs/dbraw/zinc/63/31/81/1036633181.db2.gz GMPFKTUQTQPGCA-GFCCVEGCSA-N 1 2 370.375 2.675 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)Cc2nnn(C)c21 ZINC001233453414 1036633189 /nfs/dbraw/zinc/63/31/89/1036633189.db2.gz GMPFKTUQTQPGCA-GFCCVEGCSA-N 1 2 370.375 2.675 20 10 FFCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233454660 1036634036 /nfs/dbraw/zinc/63/40/36/1036634036.db2.gz DWWXNNDKWPAMPI-UBSAEIQESA-N 1 2 359.344 2.563 20 10 FFCDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233454660 1036634038 /nfs/dbraw/zinc/63/40/38/1036634038.db2.gz DWWXNNDKWPAMPI-UBSAEIQESA-N 1 2 359.344 2.563 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)Cc2ncn(CC3CC3)c21 ZINC001233483936 1036651919 /nfs/dbraw/zinc/65/19/19/1036651919.db2.gz RKRSRTXDYRMPGJ-OAHLLOKOSA-N 1 2 373.453 2.546 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)Cc2ncn(CC3CC3)c21 ZINC001233483936 1036651922 /nfs/dbraw/zinc/65/19/22/1036651922.db2.gz RKRSRTXDYRMPGJ-OAHLLOKOSA-N 1 2 373.453 2.546 20 10 FFCDLO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)C1=O ZINC001277386806 1036668975 /nfs/dbraw/zinc/66/89/75/1036668975.db2.gz BQIKDUZNMHLEGN-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO COCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)C1=O ZINC001277386806 1036668981 /nfs/dbraw/zinc/66/89/81/1036668981.db2.gz BQIKDUZNMHLEGN-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCCCN1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387639 1036677534 /nfs/dbraw/zinc/67/75/34/1036677534.db2.gz NBZHLFBAUFXAED-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCCCN1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387639 1036677538 /nfs/dbraw/zinc/67/75/38/1036677538.db2.gz NBZHLFBAUFXAED-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCc1ccc(C[N@@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277830049 1036910083 /nfs/dbraw/zinc/91/00/83/1036910083.db2.gz MJVPLTSKJOQJNS-RBUKOAKNSA-N 1 2 352.425 2.685 20 10 FFCDLO CCc1ccc(C[N@H+]2C[C@]3(F)CN(CC(C)C)C(=O)[C@]3(F)C2)c(O)c1 ZINC001277830049 1036910099 /nfs/dbraw/zinc/91/00/99/1036910099.db2.gz MJVPLTSKJOQJNS-RBUKOAKNSA-N 1 2 352.425 2.685 20 10 FFCDLO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c(O)c1Cl ZINC001277834705 1036938612 /nfs/dbraw/zinc/93/86/12/1036938612.db2.gz TVMAEDVSOJDMJJ-SFHVURJKSA-N 1 2 352.862 2.889 20 10 FFCDLO COc1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c(O)c1Cl ZINC001277834705 1036938615 /nfs/dbraw/zinc/93/86/15/1036938615.db2.gz TVMAEDVSOJDMJJ-SFHVURJKSA-N 1 2 352.862 2.889 20 10 FFCDLO C[NH+]1CCC(Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)CC1 ZINC001234747075 1037164099 /nfs/dbraw/zinc/16/40/99/1037164099.db2.gz OCROTODFYKHSST-UHFFFAOYSA-N 1 2 357.362 2.536 20 10 FFCDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)CC12CC2 ZINC001235306965 1037465973 /nfs/dbraw/zinc/46/59/73/1037465973.db2.gz IJPKNAAJFKRCPQ-NSHDSACASA-N 1 2 358.207 2.679 20 10 FFCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)CC12CC2 ZINC001235306965 1037465983 /nfs/dbraw/zinc/46/59/83/1037465983.db2.gz IJPKNAAJFKRCPQ-NSHDSACASA-N 1 2 358.207 2.679 20 10 FFCDLO O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001231343783 1037541052 /nfs/dbraw/zinc/54/10/52/1037541052.db2.gz FMCGLVTXJMXXRU-AWEZNQCLSA-N 1 2 366.373 2.625 20 10 FFCDLO CCn1nnc2c1CC[N@H+](Cc1ccc3ccccc3c1O)[C@H]2COC ZINC001231877949 1037972482 /nfs/dbraw/zinc/97/24/82/1037972482.db2.gz BDBXJCPMFABULF-SFHVURJKSA-N 1 2 352.438 2.903 20 10 FFCDLO CCn1nnc2c1CC[N@@H+](Cc1ccc3ccccc3c1O)[C@H]2COC ZINC001231877949 1037972488 /nfs/dbraw/zinc/97/24/88/1037972488.db2.gz BDBXJCPMFABULF-SFHVURJKSA-N 1 2 352.438 2.903 20 10 FFCDLO O=C([C@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2)N1CCOCC1 ZINC001231911911 1038008357 /nfs/dbraw/zinc/00/83/57/1038008357.db2.gz SMRLZAXMCAXPBI-OAHLLOKOSA-N 1 2 364.873 2.507 20 10 FFCDLO COc1ccc(N2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)cc1 ZINC001277989936 1038158496 /nfs/dbraw/zinc/15/84/96/1038158496.db2.gz BZNDMVBEDHJRHI-HXUWFJFHSA-N 1 2 354.454 2.553 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC001236668241 1038180591 /nfs/dbraw/zinc/18/05/91/1038180591.db2.gz BFAPVGJQYQWNCB-LBPRGKRZSA-N 1 2 361.230 2.988 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC001236668241 1038180599 /nfs/dbraw/zinc/18/05/99/1038180599.db2.gz BFAPVGJQYQWNCB-LBPRGKRZSA-N 1 2 361.230 2.988 20 10 FFCDLO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1OC ZINC001236751133 1038238065 /nfs/dbraw/zinc/23/80/65/1038238065.db2.gz CJQSTRANIDBONU-QGZVFWFLSA-N 1 2 356.413 2.715 20 10 FFCDLO CCOc1cncc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)c1 ZINC001236841705 1038304111 /nfs/dbraw/zinc/30/41/11/1038304111.db2.gz SLSOOSSOXACYNM-UHFFFAOYSA-N 1 2 357.454 2.820 20 10 FFCDLO Oc1ccc(-c2nnc(Cc3ccccc3)o2)cc1C[NH+]1CCOCC1 ZINC001253595308 1040253306 /nfs/dbraw/zinc/25/33/06/1040253306.db2.gz VAQRHEAQIVHOFL-UHFFFAOYSA-N 1 2 351.406 2.865 20 10 FFCDLO Cn1c(C2SC=CC2=O)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001262854673 1041904943 /nfs/dbraw/zinc/90/49/43/1041904943.db2.gz SIBHTEHBOBSGJB-UHFFFAOYSA-N 1 2 356.455 2.725 20 10 FFCDLO O=S1(=O)CCN(c2ccc(C[N@@H+]3CCc4sccc4C3)cc2)CC1 ZINC001237207000 1043053939 /nfs/dbraw/zinc/05/39/39/1043053939.db2.gz OALUIDTWNLRBGG-UHFFFAOYSA-N 1 2 362.520 2.541 20 10 FFCDLO O=S1(=O)CCN(c2ccc(C[N@H+]3CCc4sccc4C3)cc2)CC1 ZINC001237207000 1043053945 /nfs/dbraw/zinc/05/39/45/1043053945.db2.gz OALUIDTWNLRBGG-UHFFFAOYSA-N 1 2 362.520 2.541 20 10 FFCDLO Oc1ccc(F)c(F)c1CN1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279491590 1043178110 /nfs/dbraw/zinc/17/81/10/1043178110.db2.gz WFIRIUKLWTYZPG-IBGZPJMESA-N 1 2 362.424 2.882 20 10 FFCDLO Oc1ccc(F)c(F)c1CN1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279491590 1043178114 /nfs/dbraw/zinc/17/81/14/1043178114.db2.gz WFIRIUKLWTYZPG-IBGZPJMESA-N 1 2 362.424 2.882 20 10 FFCDLO O=C(Nc1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC001279529260 1043228537 /nfs/dbraw/zinc/22/85/37/1043228537.db2.gz OFXUHMWIGCCCCU-IYBDPMFKSA-N 1 2 356.401 2.807 20 10 FFCDLO O=C(Nc1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC001279529260 1043228542 /nfs/dbraw/zinc/22/85/42/1043228542.db2.gz OFXUHMWIGCCCCU-IYBDPMFKSA-N 1 2 356.401 2.807 20 10 FFCDLO Cc1noc(C)c1NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC001279530219 1043228676 /nfs/dbraw/zinc/22/86/76/1043228676.db2.gz XGEQCDSMVWRDHM-OKILXGFUSA-N 1 2 360.389 2.627 20 10 FFCDLO Cc1noc(C)c1NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC001279530219 1043228685 /nfs/dbraw/zinc/22/86/85/1043228685.db2.gz XGEQCDSMVWRDHM-OKILXGFUSA-N 1 2 360.389 2.627 20 10 FFCDLO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC001237624518 1043279276 /nfs/dbraw/zinc/27/92/76/1043279276.db2.gz VRXWXVFRBLNVGU-CYBMUJFWSA-N 1 2 367.808 2.945 20 10 FFCDLO COc1cc(C)nc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC001237624518 1043279283 /nfs/dbraw/zinc/27/92/83/1043279283.db2.gz VRXWXVFRBLNVGU-CYBMUJFWSA-N 1 2 367.808 2.945 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)N1CCCC1 ZINC001237623691 1043279715 /nfs/dbraw/zinc/27/97/15/1043279715.db2.gz SSWZHODFMPUZQM-UHFFFAOYSA-N 1 2 355.841 2.955 20 10 FFCDLO COc1ccc(C[NH+]2CCN(Cc3cc(OC)cc(OC)c3O)CC2)cc1 ZINC001237676522 1043305489 /nfs/dbraw/zinc/30/54/89/1043305489.db2.gz PHPRLZACRZPCFF-UHFFFAOYSA-N 1 2 372.465 2.736 20 10 FFCDLO CNC(=O)CC[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237780482 1043354402 /nfs/dbraw/zinc/35/44/02/1043354402.db2.gz CHWUBFMXIACJRA-UHFFFAOYSA-N 1 2 369.181 2.741 20 10 FFCDLO CNC(=O)CC[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237780482 1043354406 /nfs/dbraw/zinc/35/44/06/1043354406.db2.gz CHWUBFMXIACJRA-UHFFFAOYSA-N 1 2 369.181 2.741 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c(O)c1Cl ZINC001279665390 1043429265 /nfs/dbraw/zinc/42/92/65/1043429265.db2.gz KOMMQAUYTCFMNC-GJZGRUSLSA-N 1 2 362.861 2.626 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c(O)c1Cl ZINC001279665390 1043429271 /nfs/dbraw/zinc/42/92/71/1043429271.db2.gz KOMMQAUYTCFMNC-GJZGRUSLSA-N 1 2 362.861 2.626 20 10 FFCDLO CCOc1ccc(N2CCC[C@@]3(C2)C[N@H+](Cc2cn[nH]c2)CCO3)cc1 ZINC001279731515 1043545817 /nfs/dbraw/zinc/54/58/17/1043545817.db2.gz JASRWSPSJLRGLT-FQEVSTJZSA-N 1 2 356.470 2.680 20 10 FFCDLO CCOc1ccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cn[nH]c2)CCO3)cc1 ZINC001279731515 1043545826 /nfs/dbraw/zinc/54/58/26/1043545826.db2.gz JASRWSPSJLRGLT-FQEVSTJZSA-N 1 2 356.470 2.680 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC001584191420 1079319282 /nfs/dbraw/zinc/31/92/82/1079319282.db2.gz SEJILGNKGROCPF-ZWKOTPCHSA-N 1 2 355.482 2.933 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC001584191420 1079319288 /nfs/dbraw/zinc/31/92/88/1079319288.db2.gz SEJILGNKGROCPF-ZWKOTPCHSA-N 1 2 355.482 2.933 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589962597 1080906982 /nfs/dbraw/zinc/90/69/82/1080906982.db2.gz HRMNHKHMAMOYHL-GJZGRUSLSA-N 1 2 364.453 2.749 20 10 FFCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046286945 507110986 /nfs/dbraw/zinc/11/09/86/507110986.db2.gz MDAGVRYZFAYTHX-UHFFFAOYSA-N 1 2 355.486 2.945 20 10 FFCDLO CCCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000177279330 509976216 /nfs/dbraw/zinc/97/62/16/509976216.db2.gz FKNRCOBTZCOKAH-OAHLLOKOSA-N 1 2 357.447 2.523 20 10 FFCDLO CCCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000177279330 509976222 /nfs/dbraw/zinc/97/62/22/509976222.db2.gz FKNRCOBTZCOKAH-OAHLLOKOSA-N 1 2 357.447 2.523 20 10 FFCDLO Cc1ccc(F)c(/C=C2\SC(=S)N(CC[NH+]3CCOCC3)C2=O)c1 ZINC000265444948 510058893 /nfs/dbraw/zinc/05/88/93/510058893.db2.gz QNKVWMBEMMZKMC-PTNGSMBKSA-N 1 2 366.483 2.668 20 10 FFCDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180799229 510116791 /nfs/dbraw/zinc/11/67/91/510116791.db2.gz LLLKCWPFMNRKHN-FNORWQNLSA-N 1 2 368.433 2.890 20 10 FFCDLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000246467733 510504186 /nfs/dbraw/zinc/50/41/86/510504186.db2.gz PTOOWGUJWZVRNP-LJQANCHMSA-N 1 2 355.438 2.517 20 10 FFCDLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000246467733 510504192 /nfs/dbraw/zinc/50/41/92/510504192.db2.gz PTOOWGUJWZVRNP-LJQANCHMSA-N 1 2 355.438 2.517 20 10 FFCDLO C[C@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(N(C)C)cc1 ZINC000291244666 511163232 /nfs/dbraw/zinc/16/32/32/511163232.db2.gz QXQUNLQDNFGFQR-INIZCTEOSA-N 1 2 352.482 2.858 20 10 FFCDLO C[C@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(N(C)C)cc1 ZINC000291244666 511163235 /nfs/dbraw/zinc/16/32/35/511163235.db2.gz QXQUNLQDNFGFQR-INIZCTEOSA-N 1 2 352.482 2.858 20 10 FFCDLO O=C(c1c(F)cccc1F)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272300433 511490377 /nfs/dbraw/zinc/49/03/77/511490377.db2.gz PQNNKGXIHZFUSZ-UHFFFAOYSA-N 1 2 350.340 2.768 20 10 FFCDLO O=C(NCc1ccc(N2CCCC2)cc1)C1CC[NH+](CC(F)F)CC1 ZINC000280698818 511566900 /nfs/dbraw/zinc/56/69/00/511566900.db2.gz FCYJGRPPAKBPCW-UHFFFAOYSA-N 1 2 351.441 2.880 20 10 FFCDLO COC(=O)C=Cc1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000365886882 511710445 /nfs/dbraw/zinc/71/04/45/511710445.db2.gz WTAORGFSPPIMMQ-HWKANZROSA-N 1 2 356.382 2.888 20 10 FFCDLO COC(=O)C=Cc1ccc(N2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000365886882 511710452 /nfs/dbraw/zinc/71/04/52/511710452.db2.gz WTAORGFSPPIMMQ-HWKANZROSA-N 1 2 356.382 2.888 20 10 FFCDLO COc1ccc(N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1F ZINC000302883884 511718371 /nfs/dbraw/zinc/71/83/71/511718371.db2.gz JVMGJITUECFNPA-UHFFFAOYSA-N 1 2 357.433 2.551 20 10 FFCDLO COc1ccc(N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1F ZINC000302883884 511718373 /nfs/dbraw/zinc/71/83/73/511718373.db2.gz JVMGJITUECFNPA-UHFFFAOYSA-N 1 2 357.433 2.551 20 10 FFCDLO CN(C)c1ccc(CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000366112748 511846803 /nfs/dbraw/zinc/84/68/03/511846803.db2.gz IKTCPSXXLYSULI-OAHLLOKOSA-N 1 2 353.470 2.707 20 10 FFCDLO CN(C)c1ccc(CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000366112748 511846812 /nfs/dbraw/zinc/84/68/12/511846812.db2.gz IKTCPSXXLYSULI-OAHLLOKOSA-N 1 2 353.470 2.707 20 10 FFCDLO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000897986025 735300732 /nfs/dbraw/zinc/30/07/32/735300732.db2.gz UUIYIRRSLNRKEN-GFCCVEGCSA-N 1 2 353.781 2.793 20 10 FFCDLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000898400119 735356023 /nfs/dbraw/zinc/35/60/23/735356023.db2.gz WRXHVNQVUZZXPE-QHCPKHFHSA-N 1 2 359.923 2.832 20 10 FFCDLO C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898435787 735360726 /nfs/dbraw/zinc/36/07/26/735360726.db2.gz GGUUFUWUVYGSDZ-SDDRHHMPSA-N 1 2 364.467 2.540 20 10 FFCDLO C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898435787 735360729 /nfs/dbraw/zinc/36/07/29/735360729.db2.gz GGUUFUWUVYGSDZ-SDDRHHMPSA-N 1 2 364.467 2.540 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1O ZINC000382456385 729834488 /nfs/dbraw/zinc/83/44/88/729834488.db2.gz COTZMJQYBUOGLQ-INIZCTEOSA-N 1 2 352.862 2.545 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)c1O ZINC000382456385 729834491 /nfs/dbraw/zinc/83/44/91/729834491.db2.gz COTZMJQYBUOGLQ-INIZCTEOSA-N 1 2 352.862 2.545 20 10 FFCDLO Cc1nc([C@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)n[nH]1 ZINC000862254092 730682610 /nfs/dbraw/zinc/68/26/10/730682610.db2.gz VPYLRKKFOYDSFO-NSHDSACASA-N 1 2 351.248 2.961 20 10 FFCDLO Cc1nc([C@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)n[nH]1 ZINC000862254092 730682612 /nfs/dbraw/zinc/68/26/12/730682612.db2.gz VPYLRKKFOYDSFO-NSHDSACASA-N 1 2 351.248 2.961 20 10 FFCDLO [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(F)(F)F ZINC000873227502 731893485 /nfs/dbraw/zinc/89/34/85/731893485.db2.gz KTLFRKIQJIEDBY-PSASIEDQSA-N 1 2 353.728 2.523 20 10 FFCDLO [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(F)(F)F ZINC000873227502 731893489 /nfs/dbraw/zinc/89/34/89/731893489.db2.gz KTLFRKIQJIEDBY-PSASIEDQSA-N 1 2 353.728 2.523 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000882880375 733306765 /nfs/dbraw/zinc/30/67/65/733306765.db2.gz OMPNWMAUWFJGKJ-UHFFFAOYSA-N 1 2 369.238 2.902 20 10 FFCDLO COCCOC[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883018499 733321667 /nfs/dbraw/zinc/32/16/67/733321667.db2.gz GCRDMKFOPBRBHF-VIFPVBQESA-N 1 2 352.656 2.949 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCOC1CCOCC1 ZINC000883017747 733321878 /nfs/dbraw/zinc/32/18/78/733321878.db2.gz ZKBVGYNRRXKRFW-UHFFFAOYSA-N 1 2 362.239 2.969 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729286394 734569394 /nfs/dbraw/zinc/56/93/94/734569394.db2.gz PBRMCKCNWZZGMH-HOTGVXAUSA-N 1 2 361.511 2.995 20 10 FFCDLO COCCOC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894021949 734787956 /nfs/dbraw/zinc/78/79/56/734787956.db2.gz QVTPYSFWRFPJDJ-UHFFFAOYSA-N 1 2 362.239 2.921 20 10 FFCDLO O=C1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3O)CC[C@@H]2N1 ZINC000895258130 734982348 /nfs/dbraw/zinc/98/23/48/734982348.db2.gz BPENHWJONXLBNX-ZANVPECISA-N 1 2 373.678 2.909 20 10 FFCDLO O=C1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)CC[C@@H]2N1 ZINC000895258130 734982352 /nfs/dbraw/zinc/98/23/52/734982352.db2.gz BPENHWJONXLBNX-ZANVPECISA-N 1 2 373.678 2.909 20 10 FFCDLO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000896814249 735184502 /nfs/dbraw/zinc/18/45/02/735184502.db2.gz JTSDFBREFBFJND-UHFFFAOYSA-N 1 2 357.834 2.921 20 10 FFCDLO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756481195 736335292 /nfs/dbraw/zinc/33/52/92/736335292.db2.gz VUKGJWXPDGWVEU-NSHDSACASA-N 1 2 350.365 2.760 20 10 FFCDLO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Br)cc(Cl)c1O ZINC000756610118 736347278 /nfs/dbraw/zinc/34/72/78/736347278.db2.gz IDLDIAIMOXUCEK-OQPBUACISA-N 1 2 374.666 2.926 20 10 FFCDLO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000756759562 736359599 /nfs/dbraw/zinc/35/95/99/736359599.db2.gz KXNNCXROXNVREQ-ZJUUUORDSA-N 1 2 374.254 2.748 20 10 FFCDLO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000757659795 736417366 /nfs/dbraw/zinc/41/73/66/736417366.db2.gz QATZKEBWEDCKEN-YMTOWFKASA-N 1 2 362.239 2.732 20 10 FFCDLO COc1c(C)[nH]cc(C[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)c1=O ZINC000931326672 739245856 /nfs/dbraw/zinc/24/58/56/739245856.db2.gz UFIJPJZAGXKXQB-UHFFFAOYSA-N 1 2 364.829 2.886 20 10 FFCDLO CCOC(=O)C1(COC)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000793365130 739774348 /nfs/dbraw/zinc/77/43/48/739774348.db2.gz CZAOLFIPTAFDQG-UHFFFAOYSA-N 1 2 359.825 2.976 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@H]2CC2CCOCC2)c1O ZINC000934641529 739817724 /nfs/dbraw/zinc/81/77/24/739817724.db2.gz NNRABLODYLCKPX-QGZVFWFLSA-N 1 2 351.418 2.751 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@H]2CC2CCOCC2)c1O ZINC000934641529 739817728 /nfs/dbraw/zinc/81/77/28/739817728.db2.gz NNRABLODYLCKPX-QGZVFWFLSA-N 1 2 351.418 2.751 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000796551659 740153238 /nfs/dbraw/zinc/15/32/38/740153238.db2.gz ZCGKAHVAIFDTQH-HNNXBMFYSA-N 1 2 352.406 2.787 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000796551659 740153239 /nfs/dbraw/zinc/15/32/39/740153239.db2.gz ZCGKAHVAIFDTQH-HNNXBMFYSA-N 1 2 352.406 2.787 20 10 FFCDLO O=C(NCc1cc(Br)ccc1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000804736381 740901029 /nfs/dbraw/zinc/90/10/29/740901029.db2.gz QTIVLIVTWACMCQ-UHFFFAOYSA-N 1 2 373.210 2.665 20 10 FFCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000821807151 742665085 /nfs/dbraw/zinc/66/50/85/742665085.db2.gz NUPLAUYUTYVYQT-QMTHXVAHSA-N 1 2 357.332 2.535 20 10 FFCDLO C[C@@H](O)C1([NH2+]Cc2cc(Br)cc(Br)c2O)CC1 ZINC000827585914 743606339 /nfs/dbraw/zinc/60/63/39/743606339.db2.gz RGLLONDQLSLMMJ-SSDOTTSWSA-N 1 2 365.065 2.920 20 10 FFCDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1cc(Br)ccc1O ZINC000846138385 748414751 /nfs/dbraw/zinc/41/47/51/748414751.db2.gz BZMQZEBLPSLCGD-UHFFFAOYSA-N 1 2 364.243 2.546 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275892370 1013153508 /nfs/dbraw/zinc/15/35/08/1013153508.db2.gz BQIILYXOVWAEKC-KZULUSFZSA-N 1 2 350.846 2.590 20 10 FFCDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275892370 1013153513 /nfs/dbraw/zinc/15/35/13/1013153513.db2.gz BQIILYXOVWAEKC-KZULUSFZSA-N 1 2 350.846 2.590 20 10 FFCDLO Cc1[nH+]cc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cc1N ZINC001210289971 961512934 /nfs/dbraw/zinc/51/29/34/961512934.db2.gz CMUZCPFKHMECCL-UHFFFAOYSA-N 1 2 360.417 2.975 20 10 FFCDLO Oc1cc(O)c(CCNc2c(Br)ccc3[nH+]ccn32)cc1O ZINC001168018291 968374042 /nfs/dbraw/zinc/37/40/42/968374042.db2.gz YZWZWSATLMKAHS-UHFFFAOYSA-N 1 2 364.199 2.868 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)NCCCn2cc[nH+]c2)CCCC1 ZINC000650987446 970147855 /nfs/dbraw/zinc/14/78/55/970147855.db2.gz XMVJRNNJNMIIQK-UHFFFAOYSA-N 1 2 366.465 2.932 20 10 FFCDLO OC1CCN(c2ccc(CN3CC[NH+](Cc4ccco4)CC3)cc2)CC1 ZINC000876552552 1014301128 /nfs/dbraw/zinc/30/11/28/1014301128.db2.gz CTAHYZHRYRJVCF-UHFFFAOYSA-N 1 2 355.482 2.559 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000796580610 1014410970 /nfs/dbraw/zinc/41/09/70/1014410970.db2.gz RFXWCXPZKZWHJB-JXFKEZNVSA-N 1 2 374.456 2.888 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](CCO)[C@H]2CCO[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000796580610 1014410983 /nfs/dbraw/zinc/41/09/83/1014410983.db2.gz RFXWCXPZKZWHJB-JXFKEZNVSA-N 1 2 374.456 2.888 20 10 FFCDLO Nc1ccc(CCNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000841962436 982475708 /nfs/dbraw/zinc/47/57/08/982475708.db2.gz PNEMGIOLOOCCHB-DAXSKMNVSA-N 1 2 364.493 2.852 20 10 FFCDLO COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)cc1 ZINC000898007099 982577692 /nfs/dbraw/zinc/57/76/92/982577692.db2.gz MUGFXHSHZGNZEM-INIZCTEOSA-N 1 2 356.470 2.578 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527191 982579755 /nfs/dbraw/zinc/57/97/55/982579755.db2.gz NTWHNFHOBCADCL-CYBMUJFWSA-N 1 2 356.413 2.566 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527191 982579766 /nfs/dbraw/zinc/57/97/66/982579766.db2.gz NTWHNFHOBCADCL-CYBMUJFWSA-N 1 2 356.413 2.566 20 10 FFCDLO CCn1nc(C)c(C[N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1C ZINC000879117775 1015371296 /nfs/dbraw/zinc/37/12/96/1015371296.db2.gz DDJLGVXHULPNOY-UHFFFAOYSA-N 1 2 371.529 2.676 20 10 FFCDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1C ZINC000879117775 1015371305 /nfs/dbraw/zinc/37/13/05/1015371305.db2.gz DDJLGVXHULPNOY-UHFFFAOYSA-N 1 2 371.529 2.676 20 10 FFCDLO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000915626254 988823223 /nfs/dbraw/zinc/82/32/23/988823223.db2.gz CWOPRIIYLVGSOZ-MRXNPFEDSA-N 1 2 355.482 2.853 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc(OC)c(C)c3)CC2)c(OC)c1 ZINC001137009922 997282838 /nfs/dbraw/zinc/28/28/38/997282838.db2.gz WWMOQUKZYDYKCG-UHFFFAOYSA-N 1 2 357.454 2.738 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000844402067 997861686 /nfs/dbraw/zinc/86/16/86/997861686.db2.gz TXROFXBUPGHDAM-UHFFFAOYSA-N 1 2 352.438 2.912 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000844402067 997861694 /nfs/dbraw/zinc/86/16/94/997861694.db2.gz TXROFXBUPGHDAM-UHFFFAOYSA-N 1 2 352.438 2.912 20 10 FFCDLO CC(=O)N1CCC([N@H+](C)Cc2cc(Br)c(F)cc2O)CC1 ZINC001144306658 998302061 /nfs/dbraw/zinc/30/20/61/998302061.db2.gz LBMFOZHSKQZVHQ-UHFFFAOYSA-N 1 2 359.239 2.737 20 10 FFCDLO CC(=O)N1CCC([N@@H+](C)Cc2cc(Br)c(F)cc2O)CC1 ZINC001144306658 998302070 /nfs/dbraw/zinc/30/20/70/998302070.db2.gz LBMFOZHSKQZVHQ-UHFFFAOYSA-N 1 2 359.239 2.737 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000790130719 1002286993 /nfs/dbraw/zinc/28/69/93/1002286993.db2.gz CBASPNBBTZKEBI-SFHVURJKSA-N 1 2 355.482 2.887 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3C[C@@H](C)CC34CC4)cc12 ZINC001184360392 1002567670 /nfs/dbraw/zinc/56/76/70/1002567670.db2.gz GJBLRDHGTKAIOZ-ZDUSSCGKSA-N 1 2 370.449 2.640 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3C[C@@H](C)CC34CC4)cc12 ZINC001184360392 1002567673 /nfs/dbraw/zinc/56/76/73/1002567673.db2.gz GJBLRDHGTKAIOZ-ZDUSSCGKSA-N 1 2 370.449 2.640 20 10 FFCDLO O=C(c1ccc(O)c(O)c1Cl)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001193225964 1004428385 /nfs/dbraw/zinc/42/83/85/1004428385.db2.gz UEQDPTFAHOUXGJ-LSDHHAIUSA-N 1 2 373.840 2.635 20 10 FFCDLO O=C(c1ccc(O)c(O)c1Cl)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001193225964 1004428392 /nfs/dbraw/zinc/42/83/92/1004428392.db2.gz UEQDPTFAHOUXGJ-LSDHHAIUSA-N 1 2 373.840 2.635 20 10 FFCDLO COC(=O)[C@H]([C@@H](C)O)[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(C)c1 ZINC000815120402 1006513877 /nfs/dbraw/zinc/51/38/77/1006513877.db2.gz RSGOLOMJPVSOCU-UTKZUKDTSA-N 1 2 370.493 2.986 20 10 FFCDLO COC(=O)[C@H]([C@@H](C)O)[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(C)c1 ZINC000815120402 1006513886 /nfs/dbraw/zinc/51/38/86/1006513886.db2.gz RSGOLOMJPVSOCU-UTKZUKDTSA-N 1 2 370.493 2.986 20 10 FFCDLO Oc1c(CNc2cnn(CC[NH+]3CCOCC3)c2)ccc2ccccc21 ZINC000816559787 1007120412 /nfs/dbraw/zinc/12/04/12/1007120412.db2.gz VEAVUURGVAXZGV-UHFFFAOYSA-N 1 2 352.438 2.686 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)c3ccn4c(C)c[nH+]c4c3)C2)cc1 ZINC000855227624 1007193319 /nfs/dbraw/zinc/19/33/19/1007193319.db2.gz YXNXLBBKLQILDH-MRXNPFEDSA-N 1 2 350.422 2.660 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCn2cc[nH+]c2)ccc1C ZINC000858461389 1008364539 /nfs/dbraw/zinc/36/45/39/1008364539.db2.gz MPFGAIVSBQOSBH-UHFFFAOYSA-N 1 2 350.422 2.842 20 10 FFCDLO O=C(NCc1c(O)cccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001178410594 1008982752 /nfs/dbraw/zinc/98/27/52/1008982752.db2.gz VCSYKCWWTDKYAL-UHFFFAOYSA-N 1 2 356.313 2.555 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCc2c[nH+]cn2C)cc1 ZINC000860727598 1009127928 /nfs/dbraw/zinc/12/79/28/1009127928.db2.gz DYRUDZCXRCPOOE-UHFFFAOYSA-N 1 2 364.449 2.542 20 10 FFCDLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000777205905 1009495830 /nfs/dbraw/zinc/49/58/30/1009495830.db2.gz JTCYZLQERSXWEP-OAHLLOKOSA-N 1 2 374.460 2.659 20 10 FFCDLO CCOc1cc(NC2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)ncn1 ZINC001180592366 1009765402 /nfs/dbraw/zinc/76/54/02/1009765402.db2.gz FLJHPVWUNYUUHO-UHFFFAOYSA-N 1 2 364.396 2.936 20 10 FFCDLO COc1ccc(N2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)cc1F ZINC000121988001 1011153301 /nfs/dbraw/zinc/15/33/01/1011153301.db2.gz IZYDWJRTYXEIFQ-SFHVURJKSA-N 1 2 366.383 2.968 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172824490 1012038990 /nfs/dbraw/zinc/03/89/90/1012038990.db2.gz YWFZUIXAHOHYGR-MSOLQXFVSA-N 1 2 355.434 2.637 20 10 FFCDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cc(F)cc1F ZINC001275229672 1012109908 /nfs/dbraw/zinc/10/99/08/1012109908.db2.gz NLNADSDYTADQIF-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(F)cc1F ZINC001275229672 1012109920 /nfs/dbraw/zinc/10/99/20/1012109920.db2.gz NLNADSDYTADQIF-LJQANCHMSA-N 1 2 368.424 2.664 20 10 FFCDLO CCCCN(Cc1ccccc1O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000801962927 1019550988 /nfs/dbraw/zinc/55/09/88/1019550988.db2.gz WZFFGIXPUBWVTM-UHFFFAOYSA-N 1 2 363.502 2.815 20 10 FFCDLO CC(C)OCc1noc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000930209810 1019922798 /nfs/dbraw/zinc/92/27/98/1019922798.db2.gz JCUQOSVNAUGNDZ-OAHLLOKOSA-N 1 2 360.458 2.682 20 10 FFCDLO O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O[C@@H]3CCC[NH2+]C3)c12 ZINC001218281200 1033083380 /nfs/dbraw/zinc/08/33/80/1033083380.db2.gz ABGAMBRVPOQBIC-CYBMUJFWSA-N 1 2 369.373 2.708 20 10 FFCDLO O=C1[C@H]2CCC[N@H+](Cc3c(O)cccc3F)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001137838828 1033181555 /nfs/dbraw/zinc/18/15/55/1033181555.db2.gz LFFXEKKPQQNLCU-KXBFYZLASA-N 1 2 368.408 2.681 20 10 FFCDLO O=C(C[N@H+]1CCC[C@@](O)(CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839148244 1026605780 /nfs/dbraw/zinc/60/57/80/1026605780.db2.gz HOYFEXZVABSWRD-FQEVSTJZSA-N 1 2 368.437 2.860 20 10 FFCDLO O=C(C[N@@H+]1CCC[C@@](O)(CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839148244 1026605782 /nfs/dbraw/zinc/60/57/82/1026605782.db2.gz HOYFEXZVABSWRD-FQEVSTJZSA-N 1 2 368.437 2.860 20 10 FFCDLO COC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000784667420 1030743675 /nfs/dbraw/zinc/74/36/75/1030743675.db2.gz IDLGPNJNXUVCAW-WBVHZDCISA-N 1 2 363.458 2.821 20 10 FFCDLO COC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000784667420 1030743698 /nfs/dbraw/zinc/74/36/98/1030743698.db2.gz IDLGPNJNXUVCAW-WBVHZDCISA-N 1 2 363.458 2.821 20 10 FFCDLO CCn1ncc2c1C[N@H+](Cc1ccc(O)c(O)c1)C[C@H]2COCC1CC1 ZINC001203877338 1030949726 /nfs/dbraw/zinc/94/97/26/1030949726.db2.gz DNZHBTNZLHSNRS-INIZCTEOSA-N 1 2 357.454 2.840 20 10 FFCDLO CCn1ncc2c1C[N@@H+](Cc1ccc(O)c(O)c1)C[C@H]2COCC1CC1 ZINC001203877338 1030949738 /nfs/dbraw/zinc/94/97/38/1030949738.db2.gz DNZHBTNZLHSNRS-INIZCTEOSA-N 1 2 357.454 2.840 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)Cc2nnn(C)c21 ZINC001203939705 1030998434 /nfs/dbraw/zinc/99/84/34/1030998434.db2.gz RBFXEFINPMFUPP-KRWDZBQOSA-N 1 2 357.502 2.797 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)Cc2nnn(C)c21 ZINC001203939705 1030998444 /nfs/dbraw/zinc/99/84/44/1030998444.db2.gz RBFXEFINPMFUPP-KRWDZBQOSA-N 1 2 357.502 2.797 20 10 FFCDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)cc(O)c1O ZINC001204349931 1031245114 /nfs/dbraw/zinc/24/51/14/1031245114.db2.gz DJNOGEUBHAUQTJ-CQSZACIVSA-N 1 2 374.412 2.640 20 10 FFCDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)cc(O)c1O ZINC001204349931 1031245132 /nfs/dbraw/zinc/24/51/32/1031245132.db2.gz DJNOGEUBHAUQTJ-CQSZACIVSA-N 1 2 374.412 2.640 20 10 FFCDLO CCCc1occc1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000798938440 1031587944 /nfs/dbraw/zinc/58/79/44/1031587944.db2.gz GTDUSEZLFBUOFJ-UHFFFAOYSA-N 1 2 371.481 2.793 20 10 FFCDLO CC[C@H](C)[C@@H]([NH2+]C)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218919409 1033409610 /nfs/dbraw/zinc/40/96/10/1033409610.db2.gz LFCKJBJVOQGUMU-BBATYDOGSA-N 1 2 366.417 2.740 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001138127407 1033809495 /nfs/dbraw/zinc/80/94/95/1033809495.db2.gz ZYWYJHDAOHUDDF-FHLIZLRMSA-N 1 2 358.413 2.985 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001138127407 1033809503 /nfs/dbraw/zinc/80/95/03/1033809503.db2.gz ZYWYJHDAOHUDDF-FHLIZLRMSA-N 1 2 358.413 2.985 20 10 FFCDLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1c(C)n(C)c3ccccc31)C2 ZINC001138253923 1034021611 /nfs/dbraw/zinc/02/16/11/1034021611.db2.gz KTWZABCSCDWMDL-HNNXBMFYSA-N 1 2 353.470 2.844 20 10 FFCDLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1c(C)n(C)c3ccccc31)C2 ZINC001138253923 1034021621 /nfs/dbraw/zinc/02/16/21/1034021621.db2.gz KTWZABCSCDWMDL-HNNXBMFYSA-N 1 2 353.470 2.844 20 10 FFCDLO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139126016 1034956267 /nfs/dbraw/zinc/95/62/67/1034956267.db2.gz SZJFRPPQQCTNLS-WIYYLYMNSA-N 1 2 373.449 2.825 20 10 FFCDLO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139126016 1034956276 /nfs/dbraw/zinc/95/62/76/1034956276.db2.gz SZJFRPPQQCTNLS-WIYYLYMNSA-N 1 2 373.449 2.825 20 10 FFCDLO CC(=O)N1CC[C@H]([N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C(C)C)C1 ZINC001139133255 1034962574 /nfs/dbraw/zinc/96/25/74/1034962574.db2.gz GLMBNUYWDQMBJD-HNNXBMFYSA-N 1 2 358.438 2.638 20 10 FFCDLO CC(=O)N1CC[C@H]([N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C(C)C)C1 ZINC001139133255 1034962581 /nfs/dbraw/zinc/96/25/81/1034962581.db2.gz GLMBNUYWDQMBJD-HNNXBMFYSA-N 1 2 358.438 2.638 20 10 FFCDLO CNc1nccc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001140044894 1035319355 /nfs/dbraw/zinc/31/93/55/1035319355.db2.gz VTPHUBSOEASDJR-UHFFFAOYSA-N 1 2 367.375 2.739 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1CCO ZINC001140341828 1035444355 /nfs/dbraw/zinc/44/43/55/1035444355.db2.gz JEPKOYDBZZBILJ-ZDUSSCGKSA-N 1 2 370.877 2.849 20 10 FFCDLO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232260094 1035531948 /nfs/dbraw/zinc/53/19/48/1035531948.db2.gz OKJKTNWDJXDPLB-ZDUSSCGKSA-N 1 2 351.834 2.713 20 10 FFCDLO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232260094 1035531955 /nfs/dbraw/zinc/53/19/55/1035531955.db2.gz OKJKTNWDJXDPLB-ZDUSSCGKSA-N 1 2 351.834 2.713 20 10 FFCDLO Oc1cc(O)c(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)cc1Cl ZINC001232261751 1035533023 /nfs/dbraw/zinc/53/30/23/1035533023.db2.gz NUVGOJJWZKZOPJ-UHFFFAOYSA-N 1 2 373.844 2.598 20 10 FFCDLO Oc1cc(O)c(C[N@H+]2CCCn3cnc(Cn4cccn4)c3C2)cc1Cl ZINC001232261751 1035533033 /nfs/dbraw/zinc/53/30/33/1035533033.db2.gz NUVGOJJWZKZOPJ-UHFFFAOYSA-N 1 2 373.844 2.598 20 10 FFCDLO O=C(c1ccsc1)N1C[C@H]2C[NH+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140581133 1035660741 /nfs/dbraw/zinc/66/07/41/1035660741.db2.gz QTJAPUPZCDNPJU-CHWSQXEVSA-N 1 2 364.417 2.936 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001140581174 1035661394 /nfs/dbraw/zinc/66/13/94/1035661394.db2.gz RKWOQSZCWOZPPH-YJYMSZOUSA-N 1 2 362.376 2.593 20 10 FFCDLO Oc1cc(F)cc(F)c1C[N@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001140581174 1035661402 /nfs/dbraw/zinc/66/14/02/1035661402.db2.gz RKWOQSZCWOZPPH-YJYMSZOUSA-N 1 2 362.376 2.593 20 10 FFCDLO O=C(c1ccccc1)N1C[C@H]2C[NH+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140581408 1035661944 /nfs/dbraw/zinc/66/19/44/1035661944.db2.gz RQSNKVKNJFAAKA-HUUCEWRRSA-N 1 2 358.388 2.874 20 10 FFCDLO CCCCN1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277231920 1035672881 /nfs/dbraw/zinc/67/28/81/1035672881.db2.gz HVQHQQPHRSNDHB-GOSISDBHSA-N 1 2 352.862 2.649 20 10 FFCDLO CCCCN1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001277231920 1035672888 /nfs/dbraw/zinc/67/28/88/1035672888.db2.gz HVQHQQPHRSNDHB-GOSISDBHSA-N 1 2 352.862 2.649 20 10 FFCDLO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232500 1035681972 /nfs/dbraw/zinc/68/19/72/1035681972.db2.gz RWHJRFGFGDSPTL-IBGZPJMESA-N 1 2 366.889 2.895 20 10 FFCDLO COC(C)(C)CN1CC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001277232500 1035681974 /nfs/dbraw/zinc/68/19/74/1035681974.db2.gz RWHJRFGFGDSPTL-IBGZPJMESA-N 1 2 366.889 2.895 20 10 FFCDLO O=C1OCCC12CC[NH+](Cc1c(O)cc(Br)cc1F)CC2 ZINC001233030568 1036269608 /nfs/dbraw/zinc/26/96/08/1036269608.db2.gz YNBAKGZEOAVYNZ-UHFFFAOYSA-N 1 2 358.207 2.823 20 10 FFCDLO CC(=O)N1CCC([N@H+](C)Cc2c(O)cc(Br)cc2F)CC1 ZINC001233031415 1036270585 /nfs/dbraw/zinc/27/05/85/1036270585.db2.gz CYKVKLVARMUQBG-UHFFFAOYSA-N 1 2 359.239 2.737 20 10 FFCDLO CC(=O)N1CCC([N@@H+](C)Cc2c(O)cc(Br)cc2F)CC1 ZINC001233031415 1036270599 /nfs/dbraw/zinc/27/05/99/1036270599.db2.gz CYKVKLVARMUQBG-UHFFFAOYSA-N 1 2 359.239 2.737 20 10 FFCDLO Cc1cc(Br)cc(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c1O ZINC001233110071 1036356428 /nfs/dbraw/zinc/35/64/28/1036356428.db2.gz RKJMXQNHGLEKSQ-UHFFFAOYSA-N 1 2 369.303 2.758 20 10 FFCDLO CCOC(=O)c1ccnc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)c1 ZINC001233328191 1036535262 /nfs/dbraw/zinc/53/52/62/1036535262.db2.gz ZBDLKKDAXITTBX-UHFFFAOYSA-N 1 2 369.465 2.898 20 10 FFCDLO CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)ccc(F)c1F ZINC001233335858 1036541526 /nfs/dbraw/zinc/54/15/26/1036541526.db2.gz ONPFQENOAWLWSF-LBPRGKRZSA-N 1 2 356.369 2.686 20 10 FFCDLO CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)ccc(F)c1F ZINC001233335858 1036541537 /nfs/dbraw/zinc/54/15/37/1036541537.db2.gz ONPFQENOAWLWSF-LBPRGKRZSA-N 1 2 356.369 2.686 20 10 FFCDLO CC[N@@H+]1CC[C@H](Oc2c(OC)ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229243018 1036572077 /nfs/dbraw/zinc/57/20/77/1036572077.db2.gz OMOVGSYBCBOORR-ZDUSSCGKSA-N 1 2 351.402 2.944 20 10 FFCDLO CC[N@H+]1CC[C@H](Oc2c(OC)ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229243018 1036572094 /nfs/dbraw/zinc/57/20/94/1036572094.db2.gz OMOVGSYBCBOORR-ZDUSSCGKSA-N 1 2 351.402 2.944 20 10 FFCDLO Oc1c(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)cccc1C(F)(F)F ZINC001233415743 1036610037 /nfs/dbraw/zinc/61/00/37/1036610037.db2.gz HIQFZOYYKYQOLZ-GFCCVEGCSA-N 1 2 359.266 2.537 20 10 FFCDLO Oc1c(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)cccc1C(F)(F)F ZINC001233415743 1036610047 /nfs/dbraw/zinc/61/00/47/1036610047.db2.gz HIQFZOYYKYQOLZ-GFCCVEGCSA-N 1 2 359.266 2.537 20 10 FFCDLO O=C(c1ccccn1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455584 1036635039 /nfs/dbraw/zinc/63/50/39/1036635039.db2.gz QUDIPRVLJDZIJL-UHFFFAOYSA-N 1 2 365.355 2.764 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001233486917 1036656014 /nfs/dbraw/zinc/65/60/14/1036656014.db2.gz IALKOOBDLMQCNH-AWEZNQCLSA-N 1 2 374.384 2.538 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001233486917 1036656021 /nfs/dbraw/zinc/65/60/21/1036656021.db2.gz IALKOOBDLMQCNH-AWEZNQCLSA-N 1 2 374.384 2.538 20 10 FFCDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277387103 1036670920 /nfs/dbraw/zinc/67/09/20/1036670920.db2.gz FSGCXRABBORBTD-AMKSKSKJSA-N 1 2 368.836 2.728 20 10 FFCDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001277387103 1036670934 /nfs/dbraw/zinc/67/09/34/1036670934.db2.gz FSGCXRABBORBTD-AMKSKSKJSA-N 1 2 368.836 2.728 20 10 FFCDLO CCCCN1CC2(C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)OCC1=O ZINC001277398428 1036736944 /nfs/dbraw/zinc/73/69/44/1036736944.db2.gz ISDBUGJVMLQYPN-UHFFFAOYSA-N 1 2 360.498 2.903 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(OC)c1 ZINC001141031481 1036777324 /nfs/dbraw/zinc/77/73/24/1036777324.db2.gz GQEXVWKXSCXAOI-ZDUSSCGKSA-N 1 2 366.458 2.851 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(OC)c1 ZINC001141031481 1036777341 /nfs/dbraw/zinc/77/73/41/1036777341.db2.gz GQEXVWKXSCXAOI-ZDUSSCGKSA-N 1 2 366.458 2.851 20 10 FFCDLO O=C1COC2(C1)CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001235057978 1037330028 /nfs/dbraw/zinc/33/00/28/1037330028.db2.gz GIGIUANTJQVPMS-UHFFFAOYSA-N 1 2 358.207 2.618 20 10 FFCDLO Oc1c(F)cc(Br)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001235065012 1037335388 /nfs/dbraw/zinc/33/53/88/1037335388.db2.gz LWSZHZXMLWSFBO-CQSZACIVSA-N 1 2 373.266 2.590 20 10 FFCDLO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)O1 ZINC001235067746 1037340094 /nfs/dbraw/zinc/34/00/94/1037340094.db2.gz ZGHQLFZKIOHCFM-HNNXBMFYSA-N 1 2 358.207 2.965 20 10 FFCDLO O=C1CC[C@]2(CCC[N@H+](Cc3cc(Br)cc(F)c3O)C2)O1 ZINC001235067746 1037340107 /nfs/dbraw/zinc/34/01/07/1037340107.db2.gz ZGHQLFZKIOHCFM-HNNXBMFYSA-N 1 2 358.207 2.965 20 10 FFCDLO CN1C(=O)CCC12CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001235073578 1037341756 /nfs/dbraw/zinc/34/17/56/1037341756.db2.gz BKSIPEZOGZJWDM-UHFFFAOYSA-N 1 2 371.250 2.881 20 10 FFCDLO CN1CCC2(CC[NH+](Cc3cc(F)cc(Br)c3O)CC2)C1=O ZINC001235306208 1037463403 /nfs/dbraw/zinc/46/34/03/1037463403.db2.gz SAIOCIMXGSFXAX-UHFFFAOYSA-N 1 2 371.250 2.738 20 10 FFCDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001207699842 1037664500 /nfs/dbraw/zinc/66/45/00/1037664500.db2.gz IZWSARRRKCFVDO-GOSISDBHSA-N 1 2 370.877 2.897 20 10 FFCDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001207699842 1037664506 /nfs/dbraw/zinc/66/45/06/1037664506.db2.gz IZWSARRRKCFVDO-GOSISDBHSA-N 1 2 370.877 2.897 20 10 FFCDLO COc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c(O)cc1O ZINC001231639185 1037761122 /nfs/dbraw/zinc/76/11/22/1037761122.db2.gz FAFZXOMFTZSRAH-QGZVFWFLSA-N 1 2 356.413 2.802 20 10 FFCDLO COc1cc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c(O)cc1O ZINC001231639184 1037763047 /nfs/dbraw/zinc/76/30/47/1037763047.db2.gz FAFZXOMFTZSRAH-KRWDZBQOSA-N 1 2 356.413 2.802 20 10 FFCDLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(N(C)C)cc1OC)C[C@@H]2COC ZINC001231851708 1037948741 /nfs/dbraw/zinc/94/87/41/1037948741.db2.gz MGOSMTPAFGRYMN-MRXNPFEDSA-N 1 2 358.486 2.723 20 10 FFCDLO CCn1cc2c(n1)C[N@H+](Cc1ccc(N(C)C)cc1OC)C[C@@H]2COC ZINC001231851708 1037948753 /nfs/dbraw/zinc/94/87/53/1037948753.db2.gz MGOSMTPAFGRYMN-MRXNPFEDSA-N 1 2 358.486 2.723 20 10 FFCDLO Cc1cnc2n1CCN(C)C21CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231911840 1038007738 /nfs/dbraw/zinc/00/77/38/1038007738.db2.gz RDHCXQSHIYGIOI-UHFFFAOYSA-N 1 2 360.889 2.987 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cnn(C)c21 ZINC001236797322 1038276733 /nfs/dbraw/zinc/27/67/33/1038276733.db2.gz LVLLCXZXAIDNOR-CYBMUJFWSA-N 1 2 365.861 2.924 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cc(OC)cc2Cl)Cc2cnn(C)c21 ZINC001236797322 1038276760 /nfs/dbraw/zinc/27/67/60/1038276760.db2.gz LVLLCXZXAIDNOR-CYBMUJFWSA-N 1 2 365.861 2.924 20 10 FFCDLO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CC(Oc2cccnc2)C1 ZINC001237056043 1038424987 /nfs/dbraw/zinc/42/49/87/1038424987.db2.gz LAWHUJVBHJZGSZ-UHFFFAOYSA-N 1 2 354.328 2.992 20 10 FFCDLO O=C([C@@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1Cl)N1CCOCC1 ZINC001237083177 1038439766 /nfs/dbraw/zinc/43/97/66/1038439766.db2.gz ZRARHOYAJJOAQV-AWEZNQCLSA-N 1 2 373.280 2.912 20 10 FFCDLO O=C([C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1Cl)N1CCOCC1 ZINC001237083177 1038439769 /nfs/dbraw/zinc/43/97/69/1038439769.db2.gz ZRARHOYAJJOAQV-AWEZNQCLSA-N 1 2 373.280 2.912 20 10 FFCDLO CN(Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1)CC(F)F ZINC001237092663 1038442068 /nfs/dbraw/zinc/44/20/68/1038442068.db2.gz LFJPLRBXGGYEBA-UHFFFAOYSA-N 1 2 362.262 2.898 20 10 FFCDLO COc1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(O)c1 ZINC001210914956 1039819650 /nfs/dbraw/zinc/81/96/50/1039819650.db2.gz QASDNZUHQWYRJA-UHFFFAOYSA-N 1 2 366.421 2.645 20 10 FFCDLO O=C(Cc1ccsc1)N1CC2(C1)C[NH+](Cc1cccc(Cl)c1O)C2 ZINC001279441549 1043115841 /nfs/dbraw/zinc/11/58/41/1043115841.db2.gz DXVDOZFWVYTOPV-UHFFFAOYSA-N 1 2 362.882 2.994 20 10 FFCDLO O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001237599236 1043262503 /nfs/dbraw/zinc/26/25/03/1043262503.db2.gz MMQCUOFSFUDOEE-CQSZACIVSA-N 1 2 364.854 2.675 20 10 FFCDLO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237623375 1043279234 /nfs/dbraw/zinc/27/92/34/1043279234.db2.gz CTXLTFPMYSGGAH-AWEZNQCLSA-N 1 2 358.841 2.644 20 10 FFCDLO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001237623375 1043279244 /nfs/dbraw/zinc/27/92/44/1043279244.db2.gz CTXLTFPMYSGGAH-AWEZNQCLSA-N 1 2 358.841 2.644 20 10 FFCDLO O=S(=O)(Nc1cccc(N2CC[NH2+]CC2)c1)c1ccc(Cl)cc1F ZINC001237747200 1043338651 /nfs/dbraw/zinc/33/86/51/1043338651.db2.gz ZCFURFFIGRAMGB-UHFFFAOYSA-N 1 2 369.849 2.690 20 10 FFCDLO Oc1c(I)cccc1C[NH+]1CC2(C1)CCOCC2 ZINC001237778908 1043352812 /nfs/dbraw/zinc/35/28/12/1043352812.db2.gz IBHZGXBRLIMCGI-UHFFFAOYSA-N 1 2 359.207 2.609 20 10 FFCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1)N1CCCC1 ZINC001237803026 1043368232 /nfs/dbraw/zinc/36/82/32/1043368232.db2.gz PYWWVSFZNNGXQV-CQSZACIVSA-N 1 2 355.841 2.955 20 10 FFCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1)N1CCCC1 ZINC001237803026 1043368242 /nfs/dbraw/zinc/36/82/42/1043368242.db2.gz PYWWVSFZNNGXQV-CQSZACIVSA-N 1 2 355.841 2.955 20 10 FFCDLO CCn1ccnc1CN1CC2(C1)C[NH+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001279684746 1043465555 /nfs/dbraw/zinc/46/55/55/1043465555.db2.gz RUCPRXKTLUWLSI-UHFFFAOYSA-N 1 2 364.852 2.719 20 10 FFCDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001541101899 1071052941 /nfs/dbraw/zinc/05/29/41/1071052941.db2.gz VSBIROQSDVGCCS-GJZGRUSLSA-N 1 2 370.449 2.888 20 10 FFCDLO Cc1ccc(O)c(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001301046501 1050800202 /nfs/dbraw/zinc/80/02/02/1050800202.db2.gz CXHUYLHHIQEPIT-UHFFFAOYSA-N 1 2 352.350 2.725 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001340663473 1051036131 /nfs/dbraw/zinc/03/61/31/1051036131.db2.gz QSDVTPICCBNRFP-NSHDSACASA-N 1 2 352.232 2.961 20 10 FFCDLO CCn1c(C2SC=CC2=O)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001340901718 1051229692 /nfs/dbraw/zinc/22/96/92/1051229692.db2.gz DIGFYJPSUGVVRC-UHFFFAOYSA-N 1 2 370.482 2.756 20 10 FFCDLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001308241226 1052435461 /nfs/dbraw/zinc/43/54/61/1052435461.db2.gz CIFXSGYJKXKRNF-JTQLQIEISA-N 1 2 372.849 2.944 20 10 FFCDLO COC(=O)c1cc(Br)oc1C[NH2+]Cc1c(O)cccc1F ZINC001308947389 1052523642 /nfs/dbraw/zinc/52/36/42/1052523642.db2.gz DHXFMNGFDCLHEJ-UHFFFAOYSA-N 1 2 358.163 2.963 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001347375860 1053907800 /nfs/dbraw/zinc/90/78/00/1053907800.db2.gz UNHIPGUTLWNHRI-UHFFFAOYSA-N 1 2 355.486 2.884 20 10 FFCDLO CNc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc[nH+]1 ZINC001527414126 1061490474 /nfs/dbraw/zinc/49/04/74/1061490474.db2.gz NOLXMQMSPFKPFO-UHFFFAOYSA-N 1 2 371.510 2.676 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nc(C(F)(F)F)n[nH]1 ZINC001474724565 1065590474 /nfs/dbraw/zinc/59/04/74/1065590474.db2.gz SRCYWJZSXLBNFE-LLVKDONJSA-N 1 2 369.391 2.635 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3ccc(C)c(OC)n3)CC2)c(OC)c1 ZINC001560975425 1076315647 /nfs/dbraw/zinc/31/56/47/1076315647.db2.gz ADGBYLVHYHXPJK-UHFFFAOYSA-N 1 2 357.454 2.738 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589958460 1080902832 /nfs/dbraw/zinc/90/28/32/1080902832.db2.gz YTVCBVQILMKTKL-GXTWGEPZSA-N 1 2 368.416 2.641 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589974434 1080915174 /nfs/dbraw/zinc/91/51/74/1080915174.db2.gz VRCBPFGUBVIQRJ-ZUZCIYMTSA-N 1 2 355.373 2.886 20 10 FFCDLO C[C@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1cccc(-c2nn[nH]n2)c1O ZINC001589978123 1080916297 /nfs/dbraw/zinc/91/62/97/1080916297.db2.gz KSZMUFICUARUKA-ZDUSSCGKSA-N 1 2 373.457 2.546 20 10 FFCDLO CN(Cc1ccccc1O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048148865 507464793 /nfs/dbraw/zinc/46/47/93/507464793.db2.gz LTZFABRBRZWSLY-UHFFFAOYSA-N 1 2 355.438 2.888 20 10 FFCDLO COc1cccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c1O ZINC000073865694 507961891 /nfs/dbraw/zinc/96/18/91/507961891.db2.gz NZSXOOSJEZMIRX-UHFFFAOYSA-N 1 2 352.394 2.586 20 10 FFCDLO Cc1c[nH+]ccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000121454029 509174685 /nfs/dbraw/zinc/17/46/85/509174685.db2.gz SFQUAOAXDKXULJ-UHFFFAOYSA-N 1 2 354.454 2.920 20 10 FFCDLO CN1CCCc2cc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)ccc21 ZINC000263877686 509203038 /nfs/dbraw/zinc/20/30/38/509203038.db2.gz ZODWGDLKYHMWCI-UHFFFAOYSA-N 1 2 353.470 2.881 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000177625360 510167258 /nfs/dbraw/zinc/16/72/58/510167258.db2.gz UAMOAOUGLUGJKP-UHFFFAOYSA-N 1 2 360.889 2.891 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000177625360 510167267 /nfs/dbraw/zinc/16/72/67/510167267.db2.gz UAMOAOUGLUGJKP-UHFFFAOYSA-N 1 2 360.889 2.891 20 10 FFCDLO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191370207 510626405 /nfs/dbraw/zinc/62/64/05/510626405.db2.gz GRDOXEKCBBVYAD-MRXNPFEDSA-N 1 2 353.825 2.864 20 10 FFCDLO CCN(Cc1cc(Br)ccc1O)C(=O)CCn1cc[nH+]c1 ZINC000266511876 510631382 /nfs/dbraw/zinc/63/13/82/510631382.db2.gz HZRBPCUBOKWSIF-UHFFFAOYSA-N 1 2 352.232 2.790 20 10 FFCDLO COc1c(O)c(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278917847 511014705 /nfs/dbraw/zinc/01/47/05/511014705.db2.gz ULQOFPGHASEHTJ-UHFFFAOYSA-N 1 2 374.319 2.693 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278917847 511014710 /nfs/dbraw/zinc/01/47/10/511014710.db2.gz ULQOFPGHASEHTJ-UHFFFAOYSA-N 1 2 374.319 2.693 20 10 FFCDLO COC1CCN(c2ccc(C[N@@H+]3CC[S@](=O)[C@@H](C)[C@H]3C)cc2)CC1 ZINC000294869695 511203843 /nfs/dbraw/zinc/20/38/43/511203843.db2.gz DQYRRGQWRDBQQC-YPCHGGDPSA-N 1 2 350.528 2.643 20 10 FFCDLO COC1CCN(c2ccc(C[N@H+]3CC[S@](=O)[C@@H](C)[C@H]3C)cc2)CC1 ZINC000294869695 511203847 /nfs/dbraw/zinc/20/38/47/511203847.db2.gz DQYRRGQWRDBQQC-YPCHGGDPSA-N 1 2 350.528 2.643 20 10 FFCDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1O ZINC000285128558 512010175 /nfs/dbraw/zinc/01/01/75/512010175.db2.gz OCBAPBZFYFYNRC-INIZCTEOSA-N 1 2 372.469 2.920 20 10 FFCDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC000293793309 512086232 /nfs/dbraw/zinc/08/62/32/512086232.db2.gz CQGWQFNQUUXHAS-CYBMUJFWSA-N 1 2 360.223 2.796 20 10 FFCDLO Cc1nnsc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000364339758 512092289 /nfs/dbraw/zinc/09/22/89/512092289.db2.gz PLFDYJSDUCPAKF-ZDUSSCGKSA-N 1 2 366.874 2.600 20 10 FFCDLO Oc1c(F)cccc1C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000275283660 512096079 /nfs/dbraw/zinc/09/60/79/512096079.db2.gz NKLOPJTUROXTMI-UHFFFAOYSA-N 1 2 362.352 2.724 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1O ZINC000367660170 512604074 /nfs/dbraw/zinc/60/40/74/512604074.db2.gz YOVPSLVJHAZKIX-INIZCTEOSA-N 1 2 372.259 2.545 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1O ZINC000367660170 512604079 /nfs/dbraw/zinc/60/40/79/512604079.db2.gz YOVPSLVJHAZKIX-INIZCTEOSA-N 1 2 372.259 2.545 20 10 FFCDLO COC(=O)CCn1nc(C)c(C[NH2+]Cc2cccc(Cl)c2O)c1C ZINC000898218567 735328602 /nfs/dbraw/zinc/32/86/02/735328602.db2.gz KGIGWVXHKOKPEC-UHFFFAOYSA-N 1 2 351.834 2.712 20 10 FFCDLO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cccc(Br)c2O)N1 ZINC000054681268 728090640 /nfs/dbraw/zinc/09/06/40/728090640.db2.gz SKGQAVUQNZHGSE-ZDUSSCGKSA-N 1 2 358.199 2.601 20 10 FFCDLO COc1cc(Br)cc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000093772927 728477656 /nfs/dbraw/zinc/47/76/56/728477656.db2.gz KVKHRSYOYKDBIB-SNVBAGLBSA-N 1 2 360.248 2.935 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000093772927 728477657 /nfs/dbraw/zinc/47/76/57/728477657.db2.gz KVKHRSYOYKDBIB-SNVBAGLBSA-N 1 2 360.248 2.935 20 10 FFCDLO C[C@H](O)CC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000133208756 728726477 /nfs/dbraw/zinc/72/64/77/728726477.db2.gz LHLCYUXJCIDOII-ZETCQYMHSA-N 1 2 353.054 2.778 20 10 FFCDLO CCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000177253221 729132971 /nfs/dbraw/zinc/13/29/71/729132971.db2.gz SKJMTKLTDGMQIW-CQSZACIVSA-N 1 2 359.875 2.647 20 10 FFCDLO CCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000177253221 729132974 /nfs/dbraw/zinc/13/29/74/729132974.db2.gz SKJMTKLTDGMQIW-CQSZACIVSA-N 1 2 359.875 2.647 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3cnn(C)c3)CC2)c1 ZINC000781907111 738670958 /nfs/dbraw/zinc/67/09/58/738670958.db2.gz DAIRUEINPZHNMD-UHFFFAOYSA-N 1 2 365.275 2.519 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000781910350 738671303 /nfs/dbraw/zinc/67/13/03/738671303.db2.gz UPZNCTKCGAIAEC-GJZGRUSLSA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000781910350 738671307 /nfs/dbraw/zinc/67/13/07/738671307.db2.gz UPZNCTKCGAIAEC-GJZGRUSLSA-N 1 2 356.260 2.843 20 10 FFCDLO OC[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)Cc1ccco1 ZINC000883050942 733326325 /nfs/dbraw/zinc/32/63/25/733326325.db2.gz HPZMQFOXOHQZMD-JTQLQIEISA-N 1 2 358.207 2.828 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000883082076 733329474 /nfs/dbraw/zinc/32/94/74/733329474.db2.gz VZCZIZVWAYEMFB-DOMZBBRYSA-N 1 2 360.223 2.722 20 10 FFCDLO Oc1ccc(Br)cc1C[NH2+]Cc1n[nH]cc1Br ZINC000718208015 734376263 /nfs/dbraw/zinc/37/62/63/734376263.db2.gz LBAAMVPYUIDCHG-UHFFFAOYSA-N 1 2 361.037 2.930 20 10 FFCDLO Cn1cnnc1C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893958980 734777877 /nfs/dbraw/zinc/77/78/77/734777877.db2.gz HBZBOOJJSGMFJR-UHFFFAOYSA-N 1 2 369.238 2.802 20 10 FFCDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894014554 734786814 /nfs/dbraw/zinc/78/68/14/734786814.db2.gz MQLUVBJZCQBXGT-CYBMUJFWSA-N 1 2 371.250 2.881 20 10 FFCDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894014554 734786816 /nfs/dbraw/zinc/78/68/16/734786816.db2.gz MQLUVBJZCQBXGT-CYBMUJFWSA-N 1 2 371.250 2.881 20 10 FFCDLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)C[C@@H]2C1 ZINC000895577000 735026089 /nfs/dbraw/zinc/02/60/89/735026089.db2.gz UEKOQAOZIGUHGL-TXEJJXNPSA-N 1 2 373.678 2.718 20 10 FFCDLO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3O)C[C@@H]2C1 ZINC000895577000 735026093 /nfs/dbraw/zinc/02/60/93/735026093.db2.gz UEKOQAOZIGUHGL-TXEJJXNPSA-N 1 2 373.678 2.718 20 10 FFCDLO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000740900221 735097635 /nfs/dbraw/zinc/09/76/35/735097635.db2.gz MVYUSPMGVIFPQA-RYUDHWBXSA-N 1 2 362.289 2.600 20 10 FFCDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897558242 735247915 /nfs/dbraw/zinc/24/79/15/735247915.db2.gz GUJNXWCCQMNQFK-OAHLLOKOSA-N 1 2 366.259 2.770 20 10 FFCDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897558242 735247919 /nfs/dbraw/zinc/24/79/19/735247919.db2.gz GUJNXWCCQMNQFK-OAHLLOKOSA-N 1 2 366.259 2.770 20 10 FFCDLO CCCN1CCC[N@H+](Cc2cc(C)cc(Br)c2O)CC1=O ZINC000788270504 739226203 /nfs/dbraw/zinc/22/62/03/739226203.db2.gz ZFYAXXWHEKXEBU-UHFFFAOYSA-N 1 2 355.276 2.907 20 10 FFCDLO CCCN1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)CC1=O ZINC000788270504 739226205 /nfs/dbraw/zinc/22/62/05/739226205.db2.gz ZFYAXXWHEKXEBU-UHFFFAOYSA-N 1 2 355.276 2.907 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)c(F)cc1O ZINC000756542480 736340533 /nfs/dbraw/zinc/34/05/33/736340533.db2.gz ANOQJIMKGGQVME-WDEREUQCSA-N 1 2 361.255 2.665 20 10 FFCDLO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756657645 736350175 /nfs/dbraw/zinc/35/01/75/736350175.db2.gz DYIMGHDHYSGUBH-RKDXNWHRSA-N 1 2 368.268 2.768 20 10 FFCDLO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Br)cc(F)c1O ZINC000756703548 736353501 /nfs/dbraw/zinc/35/35/01/736353501.db2.gz DPWKTSCINZAICO-SILCLGDVSA-N 1 2 359.239 2.989 20 10 FFCDLO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1=O ZINC000756739811 736357100 /nfs/dbraw/zinc/35/71/00/736357100.db2.gz ZEEOUTPMACHOHN-ONGXEEELSA-N 1 2 359.239 2.954 20 10 FFCDLO O=C(NCCCSc1nccs1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000759590353 736579166 /nfs/dbraw/zinc/57/91/66/736579166.db2.gz JJCNUXFNJHQPJZ-GFCCVEGCSA-N 1 2 351.501 2.938 20 10 FFCDLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000764814106 737052474 /nfs/dbraw/zinc/05/24/74/737052474.db2.gz NQJBTAVIOZDHCN-CYBMUJFWSA-N 1 2 361.877 2.565 20 10 FFCDLO O=C(NCC[NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1 ZINC000776042813 738155258 /nfs/dbraw/zinc/15/52/58/738155258.db2.gz BGAHPGYJJQGZDK-UHFFFAOYSA-N 1 2 367.218 2.813 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nnnn1C1CC1 ZINC000793184615 739749418 /nfs/dbraw/zinc/74/94/18/739749418.db2.gz FMEMGQBOWSDCMH-SNVBAGLBSA-N 1 2 354.380 2.944 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1 ZINC000793360832 739773339 /nfs/dbraw/zinc/77/33/39/739773339.db2.gz ACSHLLKKSITLTO-MLGOLLRUSA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1 ZINC000793360832 739773340 /nfs/dbraw/zinc/77/33/40/739773340.db2.gz ACSHLLKKSITLTO-MLGOLLRUSA-N 1 2 356.260 2.843 20 10 FFCDLO CC1(C)C[N@H+](Cc2cccc(Br)c2O)C[C@]2(CCOC2)O1 ZINC000793365334 739774374 /nfs/dbraw/zinc/77/43/74/739774374.db2.gz KMEGGSPLBJWGRC-INIZCTEOSA-N 1 2 356.260 2.925 20 10 FFCDLO CC1(C)C[N@@H+](Cc2cccc(Br)c2O)C[C@]2(CCOC2)O1 ZINC000793365334 739774376 /nfs/dbraw/zinc/77/43/76/739774376.db2.gz KMEGGSPLBJWGRC-INIZCTEOSA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)c(F)cc1O ZINC000799727766 740445907 /nfs/dbraw/zinc/44/59/07/740445907.db2.gz YFJWJKJXJPRDHP-WPCRTTGESA-N 1 2 350.253 2.856 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000812776091 741651068 /nfs/dbraw/zinc/65/10/68/741651068.db2.gz RIXKDFSMBUVJQB-NSHDSACASA-N 1 2 350.203 2.913 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000812776091 741651069 /nfs/dbraw/zinc/65/10/69/741651069.db2.gz RIXKDFSMBUVJQB-NSHDSACASA-N 1 2 350.203 2.913 20 10 FFCDLO C[C@@H]([NH2+]C1COCCOC1)c1cc(Br)cc(Cl)c1O ZINC000813881119 741770538 /nfs/dbraw/zinc/77/05/38/741770538.db2.gz TVYWJWBBFPZPGM-MRVPVSSYSA-N 1 2 350.640 2.874 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825650894 743306391 /nfs/dbraw/zinc/30/63/91/743306391.db2.gz AMRRVONPBRHLIS-YVLXSGLVSA-N 1 2 354.244 2.928 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(Br)cc1O ZINC000825650894 743306403 /nfs/dbraw/zinc/30/64/03/743306403.db2.gz AMRRVONPBRHLIS-YVLXSGLVSA-N 1 2 354.244 2.928 20 10 FFCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CCOCCF ZINC000827951076 745006240 /nfs/dbraw/zinc/00/62/40/745006240.db2.gz VRBAQSMPAHSDQG-UHFFFAOYSA-N 1 2 371.044 2.993 20 10 FFCDLO C[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1cc(Br)ccc1O ZINC000848560323 748960613 /nfs/dbraw/zinc/96/06/13/748960613.db2.gz CKTGWSBESHKUGG-VIFPVBQESA-N 1 2 354.252 2.747 20 10 FFCDLO CN1CCCc2cc(CNC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)ccc21 ZINC000728747856 971051656 /nfs/dbraw/zinc/05/16/56/971051656.db2.gz OWYFSABQRXMBQW-SFHVURJKSA-N 1 2 353.470 2.812 20 10 FFCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826510859 948432294 /nfs/dbraw/zinc/43/22/94/948432294.db2.gz NYWKZKZVLLYKJW-UHFFFAOYSA-N 1 2 370.844 2.548 20 10 FFCDLO COc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1Cn1cccn1 ZINC000873131555 1013395802 /nfs/dbraw/zinc/39/58/02/1013395802.db2.gz VRXUVNAWQPRPRF-UHFFFAOYSA-N 1 2 354.458 2.645 20 10 FFCDLO O=C(/C=C\c1ccc(O)c(O)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000588404557 963580685 /nfs/dbraw/zinc/58/06/85/963580685.db2.gz JCMLYUGZRPMKCV-SKQDYVHHSA-N 1 2 364.445 2.969 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCN(c3cnccn3)[C@@H](C)C2)c1O ZINC001177015905 1013829720 /nfs/dbraw/zinc/82/97/20/1013829720.db2.gz SEXXGGWDYUUIED-LBPRGKRZSA-N 1 2 360.845 2.749 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCN(c3cnccn3)[C@@H](C)C2)c1O ZINC001177015905 1013829722 /nfs/dbraw/zinc/82/97/22/1013829722.db2.gz SEXXGGWDYUUIED-LBPRGKRZSA-N 1 2 360.845 2.749 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)N[C@@H]3Cc4c[nH+]cn4C3)cc2)CC1 ZINC000875258696 1014003322 /nfs/dbraw/zinc/00/33/22/1014003322.db2.gz DMYCUBGKJPFNCU-QGZVFWFLSA-N 1 2 353.470 2.544 20 10 FFCDLO CN(C)c1ccc(C[N@H+](Cc2cn(C[C@H]3CCOC3)nn2)C2CC2)cc1 ZINC000876571236 1014307987 /nfs/dbraw/zinc/30/79/87/1014307987.db2.gz VIZWNPVUTCILOG-QGZVFWFLSA-N 1 2 355.486 2.545 20 10 FFCDLO CN(C)c1ccc(C[N@@H+](Cc2cn(C[C@H]3CCOC3)nn2)C2CC2)cc1 ZINC000876571236 1014307999 /nfs/dbraw/zinc/30/79/99/1014307999.db2.gz VIZWNPVUTCILOG-QGZVFWFLSA-N 1 2 355.486 2.545 20 10 FFCDLO Cc1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)c(C)n1-c1cccc(C)c1 ZINC000898883537 976746709 /nfs/dbraw/zinc/74/67/09/976746709.db2.gz KULUXYKPUNUOMF-GOSISDBHSA-N 1 2 352.438 2.599 20 10 FFCDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876809394 1014402209 /nfs/dbraw/zinc/40/22/09/1014402209.db2.gz FVSPRGPCHPZYCE-FQEVSTJZSA-N 1 2 370.497 2.561 20 10 FFCDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876809394 1014402215 /nfs/dbraw/zinc/40/22/15/1014402215.db2.gz FVSPRGPCHPZYCE-FQEVSTJZSA-N 1 2 370.497 2.561 20 10 FFCDLO COC(=O)c1c(C[NH2+]Cc2nccn2C(F)F)c2cc(F)ccc2n1C ZINC000894207324 978189921 /nfs/dbraw/zinc/18/99/21/978189921.db2.gz RDAXOJCDPTYOIV-UHFFFAOYSA-N 1 2 366.343 2.985 20 10 FFCDLO COC(=O)c1c(C[N@H+](C)Cc2cccc(=O)[nH]2)c2cc(F)ccc2n1C ZINC000897391456 980189884 /nfs/dbraw/zinc/18/98/84/980189884.db2.gz PZSAPKBAQZXPDP-UHFFFAOYSA-N 1 2 357.385 2.837 20 10 FFCDLO COC(=O)c1c(C[N@@H+](C)Cc2cccc(=O)[nH]2)c2cc(F)ccc2n1C ZINC000897391456 980189888 /nfs/dbraw/zinc/18/98/88/980189888.db2.gz PZSAPKBAQZXPDP-UHFFFAOYSA-N 1 2 357.385 2.837 20 10 FFCDLO CN1CCCc2cc(CNC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)ccc21 ZINC000128795765 1016113676 /nfs/dbraw/zinc/11/36/76/1016113676.db2.gz ZLGZVHPOKNIARX-SFHVURJKSA-N 1 2 365.481 2.542 20 10 FFCDLO O=c1[nH]ccc2c1CC[N@@H+](Cc1cc(Br)c(F)cc1O)C2 ZINC001144307939 998305123 /nfs/dbraw/zinc/30/51/23/998305123.db2.gz MFYYOHMGWLWUCM-UHFFFAOYSA-N 1 2 353.191 2.953 20 10 FFCDLO O=c1[nH]ccc2c1CC[N@H+](Cc1cc(Br)c(F)cc1O)C2 ZINC001144307939 998305134 /nfs/dbraw/zinc/30/51/34/998305134.db2.gz MFYYOHMGWLWUCM-UHFFFAOYSA-N 1 2 353.191 2.953 20 10 FFCDLO O=C1OCCC12CC[NH+](Cc1cc(Br)c(F)cc1O)CC2 ZINC001144308437 998307329 /nfs/dbraw/zinc/30/73/29/998307329.db2.gz YQJCYNKXTSTGIQ-UHFFFAOYSA-N 1 2 358.207 2.823 20 10 FFCDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1ccc(N2CCSCC2)cc1 ZINC000845229066 998442978 /nfs/dbraw/zinc/44/29/78/998442978.db2.gz ODOXTPFVOMSLKS-UHFFFAOYSA-N 1 2 370.522 2.632 20 10 FFCDLO COC(=O)c1[nH+]ccc(NCc2cc(Br)ccc2O)c1C ZINC001171178172 998507539 /nfs/dbraw/zinc/50/75/39/998507539.db2.gz RXXTVFWVKYFPQY-UHFFFAOYSA-N 1 2 351.200 2.679 20 10 FFCDLO COc1ccc(N2CC[NH+](CCNc3ccc(C(C)=O)cn3)CC2)cc1 ZINC000771152696 1001016413 /nfs/dbraw/zinc/01/64/13/1001016413.db2.gz BMTVTBXTJNXGPF-UHFFFAOYSA-N 1 2 354.454 2.527 20 10 FFCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3Cc4ccccc4[C@H]3C)CC2)cc1 ZINC000746671930 1001682411 /nfs/dbraw/zinc/68/24/11/1001682411.db2.gz QBHOEDHIIIHXQE-QGZVFWFLSA-N 1 2 365.477 2.921 20 10 FFCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3Cc4ccccc4[C@H]3C)CC2)cc1 ZINC000746671930 1001682413 /nfs/dbraw/zinc/68/24/13/1001682413.db2.gz QBHOEDHIIIHXQE-QGZVFWFLSA-N 1 2 365.477 2.921 20 10 FFCDLO COC(=O)/C=C\c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000788572808 1001825625 /nfs/dbraw/zinc/82/56/25/1001825625.db2.gz SCWIWLRKCSUUNP-OICCZTGUSA-N 1 2 369.377 2.834 20 10 FFCDLO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c(F)ccc(O)c3O)cc2)CC1 ZINC000789957896 1002238054 /nfs/dbraw/zinc/23/80/54/1002238054.db2.gz ZEKQKBFWPZMCHN-UHFFFAOYSA-N 1 2 373.428 2.627 20 10 FFCDLO COc1c(O)c(C[N@H+](C)CC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000774835401 1002821597 /nfs/dbraw/zinc/82/15/97/1002821597.db2.gz LBRMPUYDSQKYEM-UHFFFAOYSA-N 1 2 365.430 2.532 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000774835401 1002821611 /nfs/dbraw/zinc/82/16/11/1002821611.db2.gz LBRMPUYDSQKYEM-UHFFFAOYSA-N 1 2 365.430 2.532 20 10 FFCDLO COC(=O)N1CCN(c2ccc(N[C@H](C)c3ccccc3O)c[nH+]2)CC1 ZINC000815655382 1006739815 /nfs/dbraw/zinc/73/98/15/1006739815.db2.gz QNSSKOXEXISWRD-CQSZACIVSA-N 1 2 356.426 2.849 20 10 FFCDLO Cc1cc(Cn2cc(C[NH+]3CCC(O)CC3)nn2)ccc1N1CCCCC1 ZINC000883991949 1007125290 /nfs/dbraw/zinc/12/52/90/1007125290.db2.gz WJYUSWRGTMEZEJ-UHFFFAOYSA-N 1 2 369.513 2.582 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)Cc3cn4cccc(C)c4[nH+]3)C2)cc1 ZINC000855230997 1007197401 /nfs/dbraw/zinc/19/74/01/1007197401.db2.gz RPTDPXLJPZRJLM-INIZCTEOSA-N 1 2 364.449 2.589 20 10 FFCDLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(N2CCOCC2)cc1 ZINC000776852208 1007661445 /nfs/dbraw/zinc/66/14/45/1007661445.db2.gz CVWNUFAVEBJVPL-HNNXBMFYSA-N 1 2 350.422 2.662 20 10 FFCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)Cc2ccccc21 ZINC000862537704 1009869712 /nfs/dbraw/zinc/86/97/12/1009869712.db2.gz FMDJHEQGUSKBSB-OAHLLOKOSA-N 1 2 372.377 2.581 20 10 FFCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)Cc2ccccc21 ZINC000862537704 1009869729 /nfs/dbraw/zinc/86/97/29/1009869729.db2.gz FMDJHEQGUSKBSB-OAHLLOKOSA-N 1 2 372.377 2.581 20 10 FFCDLO Cc1cc(CN2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ccc1N(C)C ZINC001139670994 1032571278 /nfs/dbraw/zinc/57/12/78/1032571278.db2.gz KEJFYCSIHMBSBJ-UHFFFAOYSA-N 1 2 370.545 2.899 20 10 FFCDLO Cc1cc(CN2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ccc1N(C)C ZINC001139670994 1032571284 /nfs/dbraw/zinc/57/12/84/1032571284.db2.gz KEJFYCSIHMBSBJ-UHFFFAOYSA-N 1 2 370.545 2.899 20 10 FFCDLO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccon2)cc1 ZINC001275386087 1012403262 /nfs/dbraw/zinc/40/32/62/1012403262.db2.gz PGPSVFJBGRLLBU-RTBURBONSA-N 1 2 354.454 2.506 20 10 FFCDLO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccon2)cc1 ZINC001275386087 1012403269 /nfs/dbraw/zinc/40/32/69/1012403269.db2.gz PGPSVFJBGRLLBU-RTBURBONSA-N 1 2 354.454 2.506 20 10 FFCDLO CCn1nc(C)c([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000926560831 1018159506 /nfs/dbraw/zinc/15/95/06/1018159506.db2.gz XCTRDWXRFCEFAE-LBPRGKRZSA-N 1 2 365.428 2.572 20 10 FFCDLO CCC[C@@]1(C2CC2)NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000802724510 1020351021 /nfs/dbraw/zinc/35/10/21/1020351021.db2.gz SBLSZNPVNXTJQU-FQEVSTJZSA-N 1 2 358.486 2.643 20 10 FFCDLO CCC[C@@]1(C2CC2)NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000802724510 1020351035 /nfs/dbraw/zinc/35/10/35/1020351035.db2.gz SBLSZNPVNXTJQU-FQEVSTJZSA-N 1 2 358.486 2.643 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+]3CC[C@@H](OC)C3)c2C)cc1 ZINC000752322066 1023115758 /nfs/dbraw/zinc/11/57/58/1023115758.db2.gz MBTMRHFFTDKIOV-GOSISDBHSA-N 1 2 370.449 2.784 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+]3CC[C@@H](OC)C3)c2C)cc1 ZINC000752322066 1023115761 /nfs/dbraw/zinc/11/57/61/1023115761.db2.gz MBTMRHFFTDKIOV-GOSISDBHSA-N 1 2 370.449 2.784 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000078511328 1023862504 /nfs/dbraw/zinc/86/25/04/1023862504.db2.gz CAMGNSURHDEVJA-ZWKOTPCHSA-N 1 2 355.482 2.933 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCC(C)CC3)CC2)cc1F ZINC000084866770 1025152264 /nfs/dbraw/zinc/15/22/64/1025152264.db2.gz NQAJQPHHURVBPY-INIZCTEOSA-N 1 2 363.477 2.603 20 10 FFCDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(N(C)C)cc3)[nH+]cn2)C1 ZINC000840288900 1027035332 /nfs/dbraw/zinc/03/53/32/1027035332.db2.gz PCZDTEBXFLYWMI-ZOBUZTSGSA-N 1 2 355.486 2.923 20 10 FFCDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(N(C)C)cc3)nc[nH+]2)C1 ZINC000840288900 1027035337 /nfs/dbraw/zinc/03/53/37/1027035337.db2.gz PCZDTEBXFLYWMI-ZOBUZTSGSA-N 1 2 355.486 2.923 20 10 FFCDLO COC[C@H]1C[N@H+](Cc2cccc(F)c2O)CCN1C(=O)OC(C)(C)C ZINC001138123724 1033801847 /nfs/dbraw/zinc/80/18/47/1033801847.db2.gz JADNMCOYXAFNDV-CQSZACIVSA-N 1 2 354.422 2.599 20 10 FFCDLO COC[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCN1C(=O)OC(C)(C)C ZINC001138123724 1033801853 /nfs/dbraw/zinc/80/18/53/1033801853.db2.gz JADNMCOYXAFNDV-CQSZACIVSA-N 1 2 354.422 2.599 20 10 FFCDLO C[N@@H+]1CC[C@H](Oc2cc(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)C1 ZINC001227029249 1034914182 /nfs/dbraw/zinc/91/41/82/1034914182.db2.gz GRSUEDXWNCQKSJ-ZDUSSCGKSA-N 1 2 369.373 2.660 20 10 FFCDLO C[N@H+]1CC[C@H](Oc2cc(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)C1 ZINC001227029249 1034914188 /nfs/dbraw/zinc/91/41/88/1034914188.db2.gz GRSUEDXWNCQKSJ-ZDUSSCGKSA-N 1 2 369.373 2.660 20 10 FFCDLO C[C@@H](C[NH+](C)C)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227034050 1034915808 /nfs/dbraw/zinc/91/58/08/1034915808.db2.gz VLZQXEKQHJHVKZ-NSHDSACASA-N 1 2 371.389 2.906 20 10 FFCDLO Cc1ccc2c(n1)N(C)CC[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139126043 1034956988 /nfs/dbraw/zinc/95/69/88/1034956988.db2.gz UTYZCBBBIOIHEG-UHFFFAOYSA-N 1 2 365.433 2.962 20 10 FFCDLO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139126043 1034956994 /nfs/dbraw/zinc/95/69/94/1034956994.db2.gz UTYZCBBBIOIHEG-UHFFFAOYSA-N 1 2 365.433 2.962 20 10 FFCDLO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139132687 1034959873 /nfs/dbraw/zinc/95/98/73/1034959873.db2.gz ZGRFAYBAJFTRCP-IHRRRGAJSA-N 1 2 357.406 2.581 20 10 FFCDLO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139132687 1034959878 /nfs/dbraw/zinc/95/98/78/1034959878.db2.gz ZGRFAYBAJFTRCP-IHRRRGAJSA-N 1 2 357.406 2.581 20 10 FFCDLO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2c(O)cc(F)cc2F)n1 ZINC001140581709 1035660939 /nfs/dbraw/zinc/66/09/39/1035660939.db2.gz YIAGNTVUUINMJN-ZWKOTPCHSA-N 1 2 373.403 2.749 20 10 FFCDLO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2c(O)cc(F)cc2F)n1 ZINC001140581709 1035660945 /nfs/dbraw/zinc/66/09/45/1035660945.db2.gz YIAGNTVUUINMJN-ZWKOTPCHSA-N 1 2 373.403 2.749 20 10 FFCDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277232676 1035681385 /nfs/dbraw/zinc/68/13/85/1035681385.db2.gz WXOCORPXMLDQPK-HZPDHXFCSA-N 1 2 352.862 2.647 20 10 FFCDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Cl)c1O ZINC001277232676 1035681390 /nfs/dbraw/zinc/68/13/90/1035681390.db2.gz WXOCORPXMLDQPK-HZPDHXFCSA-N 1 2 352.862 2.647 20 10 FFCDLO CCOC(=O)c1sc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)nc1C ZINC001232450112 1035694271 /nfs/dbraw/zinc/69/42/71/1035694271.db2.gz BDIKBQIUDMPMIT-UHFFFAOYSA-N 1 2 362.451 2.833 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc(O)cc(OC)c3)CC2)c(OC)c1 ZINC001232808768 1036055551 /nfs/dbraw/zinc/05/55/51/1036055551.db2.gz IKUSDJRHTMXPNH-UHFFFAOYSA-N 1 2 358.438 2.740 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCN(c3cccc(Cl)c3)C(=O)C2)c(O)c1 ZINC001232840633 1036097318 /nfs/dbraw/zinc/09/73/18/1036097318.db2.gz DVMZHSPEAFMPGV-UHFFFAOYSA-N 1 2 359.857 2.960 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCN(c3cccc(Cl)c3)C(=O)C2)c(O)c1 ZINC001232840633 1036097336 /nfs/dbraw/zinc/09/73/36/1036097336.db2.gz DVMZHSPEAFMPGV-UHFFFAOYSA-N 1 2 359.857 2.960 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233014645 1036249992 /nfs/dbraw/zinc/24/99/92/1036249992.db2.gz WWPVYBXGCPXIDY-ZIAGYGMSSA-N 1 2 364.442 2.635 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233014645 1036250012 /nfs/dbraw/zinc/25/00/12/1036250012.db2.gz WWPVYBXGCPXIDY-ZIAGYGMSSA-N 1 2 364.442 2.635 20 10 FFCDLO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(Br)cc2F)CC12CC2 ZINC001233032520 1036270654 /nfs/dbraw/zinc/27/06/54/1036270654.db2.gz HRHBSPXMTXQAKT-LLVKDONJSA-N 1 2 358.207 2.679 20 10 FFCDLO COC(=O)[C@H]1C[N@@H+](Cc2c(O)cc(Br)cc2F)CC12CC2 ZINC001233032520 1036270669 /nfs/dbraw/zinc/27/06/69/1036270669.db2.gz HRHBSPXMTXQAKT-LLVKDONJSA-N 1 2 358.207 2.679 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335340 1036541043 /nfs/dbraw/zinc/54/10/43/1036541043.db2.gz QRTDPLNIWICCMT-LBPRGKRZSA-N 1 2 356.413 2.566 20 10 FFCDLO CC(C)(C)NC(=O)CO[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335340 1036541056 /nfs/dbraw/zinc/54/10/56/1036541056.db2.gz QRTDPLNIWICCMT-LBPRGKRZSA-N 1 2 356.413 2.566 20 10 FFCDLO COCC[N@H+](Cc1cccc(C(F)(F)F)c1O)C1CCN(C(C)=O)CC1 ZINC001233417737 1036609919 /nfs/dbraw/zinc/60/99/19/1036609919.db2.gz GHUVYBQRZIQXAU-UHFFFAOYSA-N 1 2 374.403 2.870 20 10 FFCDLO COCC[N@@H+](Cc1cccc(C(F)(F)F)c1O)C1CCN(C(C)=O)CC1 ZINC001233417737 1036609929 /nfs/dbraw/zinc/60/99/29/1036609929.db2.gz GHUVYBQRZIQXAU-UHFFFAOYSA-N 1 2 374.403 2.870 20 10 FFCDLO O=C([C@@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1O)N1CCOCC1 ZINC001233418633 1036611487 /nfs/dbraw/zinc/61/14/87/1036611487.db2.gz PEIXCYIQDLFJCA-HNNXBMFYSA-N 1 2 372.387 2.624 20 10 FFCDLO O=C([C@@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1O)N1CCOCC1 ZINC001233418633 1036611494 /nfs/dbraw/zinc/61/14/94/1036611494.db2.gz PEIXCYIQDLFJCA-HNNXBMFYSA-N 1 2 372.387 2.624 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)Cc2ncn(CC3CC3)c21 ZINC001233483935 1036652029 /nfs/dbraw/zinc/65/20/29/1036652029.db2.gz RKRSRTXDYRMPGJ-HNNXBMFYSA-N 1 2 373.453 2.546 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)Cc2ncn(CC3CC3)c21 ZINC001233483935 1036652034 /nfs/dbraw/zinc/65/20/34/1036652034.db2.gz RKRSRTXDYRMPGJ-HNNXBMFYSA-N 1 2 373.453 2.546 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387068 1036671650 /nfs/dbraw/zinc/67/16/50/1036671650.db2.gz DTLBAQWXAKMKOQ-SGTLLEGYSA-N 1 2 370.852 2.787 20 10 FFCDLO CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)OCC1=O ZINC001277387068 1036671653 /nfs/dbraw/zinc/67/16/53/1036671653.db2.gz DTLBAQWXAKMKOQ-SGTLLEGYSA-N 1 2 370.852 2.787 20 10 FFCDLO C[N@@H+]1CCC[C@H](Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)CC1 ZINC001234750153 1037166593 /nfs/dbraw/zinc/16/65/93/1037166593.db2.gz ZPJLTEUTTQMWJH-LBPRGKRZSA-N 1 2 371.389 2.926 20 10 FFCDLO O=C1NCCCC12CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001235068451 1037338493 /nfs/dbraw/zinc/33/84/93/1037338493.db2.gz IIFWMCKCDOJRQC-UHFFFAOYSA-N 1 2 371.250 2.786 20 10 FFCDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277506539 1037534567 /nfs/dbraw/zinc/53/45/67/1037534567.db2.gz IPGNGHSISOROOG-UHNFBRDESA-N 1 2 368.836 2.728 20 10 FFCDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001277506539 1037534571 /nfs/dbraw/zinc/53/45/71/1037534571.db2.gz IPGNGHSISOROOG-UHNFBRDESA-N 1 2 368.836 2.728 20 10 FFCDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)[C@H](C(=O)OC)C1 ZINC001235685599 1037682981 /nfs/dbraw/zinc/68/29/81/1037682981.db2.gz RUGAJGOKTPMXSO-CJNGLKHVSA-N 1 2 363.454 2.616 20 10 FFCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)[C@H](C(=O)OC)C1 ZINC001235685599 1037682984 /nfs/dbraw/zinc/68/29/84/1037682984.db2.gz RUGAJGOKTPMXSO-CJNGLKHVSA-N 1 2 363.454 2.616 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001231852237 1037949613 /nfs/dbraw/zinc/94/96/13/1037949613.db2.gz SISIGBSEGALKFN-LJQANCHMSA-N 1 2 351.450 2.774 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001231852237 1037949621 /nfs/dbraw/zinc/94/96/21/1037949621.db2.gz SISIGBSEGALKFN-LJQANCHMSA-N 1 2 351.450 2.774 20 10 FFCDLO COCCN1CCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001231911883 1038005329 /nfs/dbraw/zinc/00/53/29/1038005329.db2.gz RMSFRLIHHGLCDJ-UHFFFAOYSA-N 1 2 352.862 2.507 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC001231912796 1038005491 /nfs/dbraw/zinc/00/54/91/1038005491.db2.gz ZYGNYBFFZGBWOZ-ZIAGYGMSSA-N 1 2 356.850 2.506 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccccc3C)CC2)cc1OC ZINC001236757947 1038246017 /nfs/dbraw/zinc/24/60/17/1038246017.db2.gz SCJZDYSCNUHLKC-UHFFFAOYSA-N 1 2 370.449 2.676 20 10 FFCDLO CN(C1CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1)S(C)(=O)=O ZINC001236797646 1038275356 /nfs/dbraw/zinc/27/53/56/1038275356.db2.gz CZNPXJSWHXEHPH-UHFFFAOYSA-N 1 2 367.298 2.555 20 10 FFCDLO CCN1CCC2(CC[NH+](Cc3ccc(OC)c(Cl)c3O)CC2)C1=O ZINC001236806532 1038281967 /nfs/dbraw/zinc/28/19/67/1038281967.db2.gz BHZZOMAZFXAZQZ-UHFFFAOYSA-N 1 2 352.862 2.889 20 10 FFCDLO COC[C@@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cn(C)nc21 ZINC001237115880 1038447692 /nfs/dbraw/zinc/44/76/92/1038447692.db2.gz JJLXOSWIIVNUPQ-LBPRGKRZSA-N 1 2 371.359 2.770 20 10 FFCDLO COC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)Cc2cn(C)nc21 ZINC001237115880 1038447699 /nfs/dbraw/zinc/44/76/99/1038447699.db2.gz JJLXOSWIIVNUPQ-LBPRGKRZSA-N 1 2 371.359 2.770 20 10 FFCDLO COC[C@@H]1C[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)Cc2nnn(C)c21 ZINC001209516936 1038949620 /nfs/dbraw/zinc/94/96/20/1038949620.db2.gz UCZZSZRFXKZJRA-SFHVURJKSA-N 1 2 365.481 2.968 20 10 FFCDLO COC[C@@H]1C[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)Cc2nnn(C)c21 ZINC001209516936 1038949626 /nfs/dbraw/zinc/94/96/26/1038949626.db2.gz UCZZSZRFXKZJRA-SFHVURJKSA-N 1 2 365.481 2.968 20 10 FFCDLO Oc1ccc(O)c(C[NH2+][C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)c1 ZINC001278750474 1040467607 /nfs/dbraw/zinc/46/76/07/1040467607.db2.gz IUIUAWROXUEXKI-UXHICEINSA-N 1 2 356.470 2.519 20 10 FFCDLO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1O ZINC001278569251 1041209327 /nfs/dbraw/zinc/20/93/27/1041209327.db2.gz SFFYIPRLFBDIHM-IYBDPMFKSA-N 1 2 358.829 2.931 20 10 FFCDLO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1O ZINC001278569251 1041209345 /nfs/dbraw/zinc/20/93/45/1041209345.db2.gz SFFYIPRLFBDIHM-IYBDPMFKSA-N 1 2 358.829 2.931 20 10 FFCDLO CN1CC[NH+](Cc2cccc(-c3noc(-c4cccc(O)c4O)n3)c2)CC1 ZINC001215145917 1041679122 /nfs/dbraw/zinc/67/91/22/1041679122.db2.gz QZSLWWGMCNRAIX-UHFFFAOYSA-N 1 2 366.421 2.562 20 10 FFCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001262617034 1041756802 /nfs/dbraw/zinc/75/68/02/1041756802.db2.gz HCTOXHOBEZAFFA-OXJNMPFZSA-N 1 2 354.450 2.813 20 10 FFCDLO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001262617034 1041756809 /nfs/dbraw/zinc/75/68/09/1041756809.db2.gz HCTOXHOBEZAFFA-OXJNMPFZSA-N 1 2 354.450 2.813 20 10 FFCDLO O=C(c1ccc(O)c(O)c1Cl)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc[nH]1 ZINC001279520156 1043217492 /nfs/dbraw/zinc/21/74/92/1043217492.db2.gz BNHXZVFHUBXATJ-KBPBESRZSA-N 1 2 361.829 2.568 20 10 FFCDLO O=C(c1ccc(O)c(O)c1Cl)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc[nH]1 ZINC001279520156 1043217498 /nfs/dbraw/zinc/21/74/98/1043217498.db2.gz BNHXZVFHUBXATJ-KBPBESRZSA-N 1 2 361.829 2.568 20 10 FFCDLO O=C(c1ccc(O)c(O)c1Cl)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001279522335 1043221442 /nfs/dbraw/zinc/22/14/42/1043221442.db2.gz YJUNGBMBWJJOLU-BETUJISGSA-N 1 2 361.829 2.568 20 10 FFCDLO O=C(c1ccc(O)c(O)c1Cl)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001279522335 1043221448 /nfs/dbraw/zinc/22/14/48/1043221448.db2.gz YJUNGBMBWJJOLU-BETUJISGSA-N 1 2 361.829 2.568 20 10 FFCDLO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(O)c(OC)c1 ZINC001237684745 1043310931 /nfs/dbraw/zinc/31/09/31/1043310931.db2.gz PVMXMRGQIXQGPA-INIZCTEOSA-N 1 2 356.413 2.715 20 10 FFCDLO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4cc(F)cc(Cl)c4O)C[C@H]3O2)n1 ZINC001237798912 1043365613 /nfs/dbraw/zinc/36/56/13/1043365613.db2.gz CZFWXRBIHKQOKU-VZJVUDMVSA-N 1 2 367.808 2.708 20 10 FFCDLO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4cc(F)cc(Cl)c4O)C[C@H]3O2)n1 ZINC001237798912 1043365618 /nfs/dbraw/zinc/36/56/18/1043365618.db2.gz CZFWXRBIHKQOKU-VZJVUDMVSA-N 1 2 367.808 2.708 20 10 FFCDLO COc1cnc(O[C@H]2CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)nc1 ZINC001237939296 1043446591 /nfs/dbraw/zinc/44/65/91/1043446591.db2.gz AQAVZJAWQBKIFG-NSHDSACASA-N 1 2 353.781 2.637 20 10 FFCDLO COc1cccc(C(=O)N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)c1 ZINC001238064318 1043511142 /nfs/dbraw/zinc/51/11/42/1043511142.db2.gz AXAUHTUDXDLXCO-UHFFFAOYSA-N 1 2 358.413 2.806 20 10 FFCDLO C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC001311912320 1044001420 /nfs/dbraw/zinc/00/14/20/1044001420.db2.gz AFMPIRWZLQLGLR-MSOLQXFVSA-N 1 2 374.529 2.537 20 10 FFCDLO O=C(c1noc2c1C[N@H+](Cc1cc(Cl)ccc1O)CC2)N1CC=CC1 ZINC001279983222 1044033880 /nfs/dbraw/zinc/03/38/80/1044033880.db2.gz HJYQKJTZXOXYMG-UHFFFAOYSA-N 1 2 359.813 2.604 20 10 FFCDLO O=C(c1noc2c1C[N@@H+](Cc1cc(Cl)ccc1O)CC2)N1CC=CC1 ZINC001279983222 1044033894 /nfs/dbraw/zinc/03/38/94/1044033894.db2.gz HJYQKJTZXOXYMG-UHFFFAOYSA-N 1 2 359.813 2.604 20 10 FFCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1cccc(F)c1 ZINC001340930527 1051260321 /nfs/dbraw/zinc/26/03/21/1051260321.db2.gz SFAPOEASQNTTGZ-QGZVFWFLSA-N 1 2 367.804 2.893 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1cccc(F)c1 ZINC001340930527 1051260337 /nfs/dbraw/zinc/26/03/37/1051260337.db2.gz SFAPOEASQNTTGZ-QGZVFWFLSA-N 1 2 367.804 2.893 20 10 FFCDLO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308247849 1052436720 /nfs/dbraw/zinc/43/67/20/1052436720.db2.gz DZXPJGMIBDCXRQ-MRXNPFEDSA-N 1 2 350.821 2.974 20 10 FFCDLO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001308281204 1052441323 /nfs/dbraw/zinc/44/13/23/1052441323.db2.gz LXAGNDHSYPVDMS-HNNXBMFYSA-N 1 2 361.436 2.971 20 10 FFCDLO O=C(NCC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1)C(F)(F)F ZINC001350319830 1055722542 /nfs/dbraw/zinc/72/25/42/1055722542.db2.gz OUSGXYNPHXXMJC-UHFFFAOYSA-N 1 2 352.303 2.561 20 10 FFCDLO COc1cccc([C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC[NH2+]2)c1 ZINC001454474488 1059544711 /nfs/dbraw/zinc/54/47/11/1059544711.db2.gz NRFMGZDSWSMHOP-KRWDZBQOSA-N 1 2 367.409 2.644 20 10 FFCDLO Cn1c[nH+]cc1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC001520723576 1060001901 /nfs/dbraw/zinc/00/19/01/1060001901.db2.gz ZDDJJWCHPZCMRJ-UHFFFAOYSA-N 1 2 365.481 2.886 20 10 FFCDLO COCCO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001462142722 1061516309 /nfs/dbraw/zinc/51/63/09/1061516309.db2.gz DHTKQZTWICYXPI-CYBMUJFWSA-N 1 2 362.239 2.921 20 10 FFCDLO COCCO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001462142722 1061516326 /nfs/dbraw/zinc/51/63/26/1061516326.db2.gz DHTKQZTWICYXPI-CYBMUJFWSA-N 1 2 362.239 2.921 20 10 FFCDLO COc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(O)c1 ZINC001467471227 1063756291 /nfs/dbraw/zinc/75/62/91/1063756291.db2.gz AQGAHEZMQKFKOJ-UHFFFAOYSA-N 1 2 351.406 2.505 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001473574415 1065287121 /nfs/dbraw/zinc/28/71/21/1065287121.db2.gz XGKJVQASHWQUQG-DZGCQCFKSA-N 1 2 361.360 2.867 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001473574415 1065287131 /nfs/dbraw/zinc/28/71/31/1065287131.db2.gz XGKJVQASHWQUQG-DZGCQCFKSA-N 1 2 361.360 2.867 20 10 FFCDLO NC(=O)[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)c1ccccn1 ZINC001474157614 1065464344 /nfs/dbraw/zinc/46/43/44/1065464344.db2.gz VIWCBTASWYBROZ-QFIPXVFZSA-N 1 2 372.472 2.961 20 10 FFCDLO CCC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@H](COC)C(=O)OCC ZINC001474442827 1065523834 /nfs/dbraw/zinc/52/38/34/1065523834.db2.gz QSJBCBMRPUBGSK-CQSZACIVSA-N 1 2 359.850 2.844 20 10 FFCDLO CCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@H](COC)C(=O)OCC ZINC001474442827 1065523843 /nfs/dbraw/zinc/52/38/43/1065523843.db2.gz QSJBCBMRPUBGSK-CQSZACIVSA-N 1 2 359.850 2.844 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC001584191419 1079319426 /nfs/dbraw/zinc/31/94/26/1079319426.db2.gz SEJILGNKGROCPF-ROUUACIJSA-N 1 2 355.482 2.933 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC001584191419 1079319433 /nfs/dbraw/zinc/31/94/33/1079319433.db2.gz SEJILGNKGROCPF-ROUUACIJSA-N 1 2 355.482 2.933 20 10 FFCDLO CCOC(=O)C[N@H+](CCOc1cccc(OC)c1)Cc1ccccc1O ZINC001559930325 1076202923 /nfs/dbraw/zinc/20/29/23/1076202923.db2.gz NIAFPLOTVDUDDS-UHFFFAOYSA-N 1 2 359.422 2.845 20 10 FFCDLO CCOC(=O)C[N@@H+](CCOc1cccc(OC)c1)Cc1ccccc1O ZINC001559930325 1076202926 /nfs/dbraw/zinc/20/29/26/1076202926.db2.gz NIAFPLOTVDUDDS-UHFFFAOYSA-N 1 2 359.422 2.845 20 10 FFCDLO CN(C)c1cc(F)c(C[NH2+]Cc2cc(S(C)(=O)=O)ccc2F)cc1F ZINC001560451642 1076273662 /nfs/dbraw/zinc/27/36/62/1076273662.db2.gz WDILBSJKFOONJT-UHFFFAOYSA-N 1 2 372.412 2.863 20 10 FFCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3nccs3)CC2)cc1 ZINC000053774314 506442812 /nfs/dbraw/zinc/44/28/12/506442812.db2.gz QMMHDKBDMMUUOV-AWEZNQCLSA-N 1 2 360.483 2.691 20 10 FFCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3nccs3)CC2)cc1 ZINC000053774314 506442818 /nfs/dbraw/zinc/44/28/18/506442818.db2.gz QMMHDKBDMMUUOV-AWEZNQCLSA-N 1 2 360.483 2.691 20 10 FFCDLO CN(C)c1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000046072384 507073213 /nfs/dbraw/zinc/07/32/13/507073213.db2.gz NCYKMPMCOVJJQX-UHFFFAOYSA-N 1 2 353.470 2.747 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000157031057 508512805 /nfs/dbraw/zinc/51/28/05/508512805.db2.gz KVJMLIBYJNKFHP-INIZCTEOSA-N 1 2 354.491 2.823 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000157031057 508512807 /nfs/dbraw/zinc/51/28/07/508512807.db2.gz KVJMLIBYJNKFHP-INIZCTEOSA-N 1 2 354.491 2.823 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000177170672 509916043 /nfs/dbraw/zinc/91/60/43/509916043.db2.gz LYKVYBASNPTOEH-JTQLQIEISA-N 1 2 359.875 2.646 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000177170672 509916047 /nfs/dbraw/zinc/91/60/47/509916047.db2.gz LYKVYBASNPTOEH-JTQLQIEISA-N 1 2 359.875 2.646 20 10 FFCDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000278178521 510983549 /nfs/dbraw/zinc/98/35/49/510983549.db2.gz GONKNPKSOHAXMS-UHFFFAOYSA-N 1 2 374.393 2.885 20 10 FFCDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000278178521 510983553 /nfs/dbraw/zinc/98/35/53/510983553.db2.gz GONKNPKSOHAXMS-UHFFFAOYSA-N 1 2 374.393 2.885 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278238707 510986755 /nfs/dbraw/zinc/98/67/55/510986755.db2.gz NQFTXOVEIANMMM-CQSZACIVSA-N 1 2 350.396 2.944 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278238707 510986761 /nfs/dbraw/zinc/98/67/61/510986761.db2.gz NQFTXOVEIANMMM-CQSZACIVSA-N 1 2 350.396 2.944 20 10 FFCDLO COc1c(O)c(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278291898 510988080 /nfs/dbraw/zinc/98/80/80/510988080.db2.gz UYTCDLBTSGWVNI-CQSZACIVSA-N 1 2 372.425 2.583 20 10 FFCDLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000279167400 511020485 /nfs/dbraw/zinc/02/04/85/511020485.db2.gz GQEPYJYSKNTGHT-GOSISDBHSA-N 1 2 356.470 2.534 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000289697781 511110528 /nfs/dbraw/zinc/11/05/28/511110528.db2.gz NMJOFMRITOOQMH-UHFFFAOYSA-N 1 2 371.256 2.946 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000362178233 511144884 /nfs/dbraw/zinc/14/48/84/511144884.db2.gz NEKNFDRYZKGUPA-QGZVFWFLSA-N 1 2 355.486 2.965 20 10 FFCDLO C[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)c1ccc(N(C)C)cc1 ZINC000291244669 511162734 /nfs/dbraw/zinc/16/27/34/511162734.db2.gz QXQUNLQDNFGFQR-MRXNPFEDSA-N 1 2 352.482 2.858 20 10 FFCDLO C[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)c1ccc(N(C)C)cc1 ZINC000291244669 511162745 /nfs/dbraw/zinc/16/27/45/511162745.db2.gz QXQUNLQDNFGFQR-MRXNPFEDSA-N 1 2 352.482 2.858 20 10 FFCDLO C[C@@H](c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1)[NH+]1CCOCC1 ZINC000294757238 511168528 /nfs/dbraw/zinc/16/85/28/511168528.db2.gz AWDBRRIIPHUTJV-LBPRGKRZSA-N 1 2 360.385 2.882 20 10 FFCDLO COC1CCN(c2ccc(C[N@@H+]3CC[S@](=O)[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000294869703 511203936 /nfs/dbraw/zinc/20/39/36/511203936.db2.gz DQYRRGQWRDBQQC-YWTKSJFSSA-N 1 2 350.528 2.643 20 10 FFCDLO COC1CCN(c2ccc(C[N@H+]3CC[S@](=O)[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000294869703 511203942 /nfs/dbraw/zinc/20/39/42/511203942.db2.gz DQYRRGQWRDBQQC-YWTKSJFSSA-N 1 2 350.528 2.643 20 10 FFCDLO COCc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)no1 ZINC000298351905 511254033 /nfs/dbraw/zinc/25/40/33/511254033.db2.gz JUIFEQXNCDHEFB-ZIAGYGMSSA-N 1 2 363.433 2.864 20 10 FFCDLO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000273570670 511538640 /nfs/dbraw/zinc/53/86/40/511538640.db2.gz KQJSBWCDWBCGAU-SUMWQHHRSA-N 1 2 357.410 2.651 20 10 FFCDLO CCN(CC)c1ccc(CNc2[nH+]cnc(-n3cccn3)c2N)cc1F ZINC000301766792 511701830 /nfs/dbraw/zinc/70/18/30/511701830.db2.gz DIZFVTLUFAUJNA-UHFFFAOYSA-N 1 2 355.421 2.842 20 10 FFCDLO CC(C)c1nc(N(C)Cc2ccc(N3CCOCC3)cc2)nc(N(C)C)[nH+]1 ZINC000301929924 511702936 /nfs/dbraw/zinc/70/29/36/511702936.db2.gz OAXOCQPEZZDKBF-UHFFFAOYSA-N 1 2 370.501 2.534 20 10 FFCDLO CC(C)c1nc(N(C)C)nc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000301929924 511702943 /nfs/dbraw/zinc/70/29/43/511702943.db2.gz OAXOCQPEZZDKBF-UHFFFAOYSA-N 1 2 370.501 2.534 20 10 FFCDLO CN(C)c1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1F ZINC000302891784 511717962 /nfs/dbraw/zinc/71/79/62/511717962.db2.gz NXWTZYFAFNZNFX-OAHLLOKOSA-N 1 2 359.449 2.645 20 10 FFCDLO CN(C)c1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1F ZINC000302891784 511717968 /nfs/dbraw/zinc/71/79/68/511717968.db2.gz NXWTZYFAFNZNFX-OAHLLOKOSA-N 1 2 359.449 2.645 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000366373935 511985644 /nfs/dbraw/zinc/98/56/44/511985644.db2.gz GOFGIONWWQUNJI-OAHLLOKOSA-N 1 2 357.447 2.523 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000366373935 511985649 /nfs/dbraw/zinc/98/56/49/511985649.db2.gz GOFGIONWWQUNJI-OAHLLOKOSA-N 1 2 357.447 2.523 20 10 FFCDLO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000368141964 512818331 /nfs/dbraw/zinc/81/83/31/512818331.db2.gz HWWSJLUYFCYPBE-AWEZNQCLSA-N 1 2 366.870 2.598 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511192 608854763 /nfs/dbraw/zinc/85/47/63/608854763.db2.gz GLWXTMSXJKVMSK-KRWDZBQOSA-N 1 2 371.828 2.799 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511192 608854765 /nfs/dbraw/zinc/85/47/65/608854765.db2.gz GLWXTMSXJKVMSK-KRWDZBQOSA-N 1 2 371.828 2.799 20 10 FFCDLO COCCc1ncc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898448082 735362062 /nfs/dbraw/zinc/36/20/62/735362062.db2.gz OXYAGCPITSYEJY-GOSISDBHSA-N 1 2 362.543 2.791 20 10 FFCDLO CCC[N@H+](CC(=O)OCC)Cc1cc(Br)cc(OC)c1O ZINC000092380354 728466957 /nfs/dbraw/zinc/46/69/57/728466957.db2.gz MYVIAZNKRLCOTD-UHFFFAOYSA-N 1 2 360.248 2.938 20 10 FFCDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(Br)cc(OC)c1O ZINC000092380354 728466959 /nfs/dbraw/zinc/46/69/59/728466959.db2.gz MYVIAZNKRLCOTD-UHFFFAOYSA-N 1 2 360.248 2.938 20 10 FFCDLO CCC[N@H+](Cc1cccc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179642194 729191132 /nfs/dbraw/zinc/19/11/32/729191132.db2.gz OBXQQAWCYCIVLZ-LBPRGKRZSA-N 1 2 362.289 2.554 20 10 FFCDLO CCC[N@@H+](Cc1cccc(Br)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179642194 729191134 /nfs/dbraw/zinc/19/11/34/729191134.db2.gz OBXQQAWCYCIVLZ-LBPRGKRZSA-N 1 2 362.289 2.554 20 10 FFCDLO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000857058572 730376746 /nfs/dbraw/zinc/37/67/46/730376746.db2.gz QLGSJTSPKGLAMF-OAHLLOKOSA-N 1 2 355.818 2.944 20 10 FFCDLO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC000862387757 730695658 /nfs/dbraw/zinc/69/56/58/730695658.db2.gz PZJUTTPQEALDQV-HNNXBMFYSA-N 1 2 374.300 2.555 20 10 FFCDLO O=S1(=O)CC[C@@]2(C1)CCC[N@H+](Cc1c(O)cccc1Br)C2 ZINC000862387757 730695659 /nfs/dbraw/zinc/69/56/59/730695659.db2.gz PZJUTTPQEALDQV-HNNXBMFYSA-N 1 2 374.300 2.555 20 10 FFCDLO COCC[N@@H+](Cc1c(O)cccc1Br)C[C@H](O)C(F)(F)F ZINC000862402970 730697607 /nfs/dbraw/zinc/69/76/07/730697607.db2.gz UKJATRRGQWHBJP-LBPRGKRZSA-N 1 2 372.181 2.526 20 10 FFCDLO COCC[N@H+](Cc1c(O)cccc1Br)C[C@H](O)C(F)(F)F ZINC000862402970 730697609 /nfs/dbraw/zinc/69/76/09/730697609.db2.gz UKJATRRGQWHBJP-LBPRGKRZSA-N 1 2 372.181 2.526 20 10 FFCDLO [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(F)(F)F ZINC000873227504 731893548 /nfs/dbraw/zinc/89/35/48/731893548.db2.gz KTLFRKIQJIEDBY-WCBMZHEXSA-N 1 2 353.728 2.523 20 10 FFCDLO [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(F)(F)F ZINC000873227504 731893551 /nfs/dbraw/zinc/89/35/51/731893551.db2.gz KTLFRKIQJIEDBY-WCBMZHEXSA-N 1 2 353.728 2.523 20 10 FFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)c1O ZINC000877761682 732425222 /nfs/dbraw/zinc/42/52/22/732425222.db2.gz MQCBJHGDROZFHJ-UHFFFAOYSA-N 1 2 366.870 2.560 20 10 FFCDLO Cc1cc(Cl)cc(C[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)c1O ZINC000877761682 732425224 /nfs/dbraw/zinc/42/52/24/732425224.db2.gz MQCBJHGDROZFHJ-UHFFFAOYSA-N 1 2 366.870 2.560 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000781907899 738670626 /nfs/dbraw/zinc/67/06/26/738670626.db2.gz HFWSMUBGSVIIKZ-GFCCVEGCSA-N 1 2 354.166 2.962 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000781907899 738670633 /nfs/dbraw/zinc/67/06/33/738670633.db2.gz HFWSMUBGSVIIKZ-GFCCVEGCSA-N 1 2 354.166 2.962 20 10 FFCDLO CC[N@H+](Cc1cc(C)cc(Br)c1O)[C@H](C)CS(C)(=O)=O ZINC000781914748 738671914 /nfs/dbraw/zinc/67/19/14/738671914.db2.gz ZLDGOLJQMREIJT-LLVKDONJSA-N 1 2 364.305 2.718 20 10 FFCDLO CC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@H](C)CS(C)(=O)=O ZINC000781914748 738671917 /nfs/dbraw/zinc/67/19/17/738671917.db2.gz ZLDGOLJQMREIJT-LLVKDONJSA-N 1 2 364.305 2.718 20 10 FFCDLO CCOCCOCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000927085596 738689496 /nfs/dbraw/zinc/68/94/96/738689496.db2.gz AUZSWMBENWDNQG-JTQLQIEISA-N 1 2 350.228 2.998 20 10 FFCDLO CCOC(=O)c1cc(C[NH2+]Cc2cc(Br)cc(F)c2O)on1 ZINC000883197808 733349641 /nfs/dbraw/zinc/34/96/41/733349641.db2.gz TWEXACGKKGTWGI-UHFFFAOYSA-N 1 2 373.178 2.748 20 10 FFCDLO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000886220393 733761033 /nfs/dbraw/zinc/76/10/33/733761033.db2.gz HKUCNNLKIYXYQT-NWDGAFQWSA-N 1 2 364.667 2.828 20 10 FFCDLO CN(C)C(=O)NCC[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000894376415 734848586 /nfs/dbraw/zinc/84/85/86/734848586.db2.gz ZAEJRDRYKYRLIJ-UHFFFAOYSA-N 1 2 364.671 2.511 20 10 FFCDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000894376415 734848587 /nfs/dbraw/zinc/84/85/87/734848587.db2.gz ZAEJRDRYKYRLIJ-UHFFFAOYSA-N 1 2 364.671 2.511 20 10 FFCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000738108098 735021894 /nfs/dbraw/zinc/02/18/94/735021894.db2.gz COMMXDKUUGJIJA-GFCCVEGCSA-N 1 2 350.415 2.562 20 10 FFCDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000738108098 735021897 /nfs/dbraw/zinc/02/18/97/735021897.db2.gz COMMXDKUUGJIJA-GFCCVEGCSA-N 1 2 350.415 2.562 20 10 FFCDLO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000756555151 736342342 /nfs/dbraw/zinc/34/23/42/736342342.db2.gz SFRPOGLNIFCTPO-JQWIXIFHSA-N 1 2 361.255 2.665 20 10 FFCDLO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000912110598 737266322 /nfs/dbraw/zinc/26/63/22/737266322.db2.gz PVDFCZIMYPCURL-UHFFFAOYSA-N 1 2 354.376 2.999 20 10 FFCDLO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000775204833 738072441 /nfs/dbraw/zinc/07/24/41/738072441.db2.gz HBSKNUNTUGTJAD-UHFFFAOYSA-N 1 2 364.833 2.720 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922953904 738224274 /nfs/dbraw/zinc/22/42/74/738224274.db2.gz DUVTXXCEHRGNGC-AWEZNQCLSA-N 1 2 373.266 2.637 20 10 FFCDLO C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)cc(F)c1O ZINC000815640489 741949674 /nfs/dbraw/zinc/94/96/74/741949674.db2.gz ZCHADYLIDWMKDI-VIFPVBQESA-N 1 2 357.227 2.706 20 10 FFCDLO OC[C@]1([C@H]([NH2+]Cc2cccc(Br)c2O)C2CC2)CCCO1 ZINC000816667694 742052175 /nfs/dbraw/zinc/05/21/75/742052175.db2.gz UPBMFFYTSAVUQQ-CVEARBPZSA-N 1 2 356.260 2.564 20 10 FFCDLO OC[C@]1([C@@H]([NH2+]Cc2cccc(Br)c2O)C2CC2)CCCO1 ZINC000816667695 742052202 /nfs/dbraw/zinc/05/22/02/742052202.db2.gz UPBMFFYTSAVUQQ-HOTGVXAUSA-N 1 2 356.260 2.564 20 10 FFCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000817298505 742120219 /nfs/dbraw/zinc/12/02/19/742120219.db2.gz NDADFJBKJJEBSW-DOTOQJQBSA-N 1 2 366.527 2.611 20 10 FFCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@@H+]2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000817298505 742120222 /nfs/dbraw/zinc/12/02/22/742120222.db2.gz NDADFJBKJJEBSW-DOTOQJQBSA-N 1 2 366.527 2.611 20 10 FFCDLO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000821064904 742583138 /nfs/dbraw/zinc/58/31/38/742583138.db2.gz INSRADCCFPTXKA-QMTHXVAHSA-N 1 2 357.332 2.968 20 10 FFCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000821807150 742665042 /nfs/dbraw/zinc/66/50/42/742665042.db2.gz NUPLAUYUTYVYQT-IINYFYTJSA-N 1 2 357.332 2.535 20 10 FFCDLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(N2CCOCC2)c(F)c1 ZINC000834882641 745918466 /nfs/dbraw/zinc/91/84/66/745918466.db2.gz MWMXZGHPENGIHY-GFCCVEGCSA-N 1 2 352.841 2.900 20 10 FFCDLO CC1(C(N)=O)C[NH+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843415778 747831657 /nfs/dbraw/zinc/83/16/57/747831657.db2.gz KCNSAQQDLMHNLD-UHFFFAOYSA-N 1 2 366.303 2.747 20 10 FFCDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000846117428 748410320 /nfs/dbraw/zinc/41/03/20/748410320.db2.gz DDBAOJYNZIOOIU-GFCCVEGCSA-N 1 2 354.403 2.861 20 10 FFCDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000846117428 748410324 /nfs/dbraw/zinc/41/03/24/748410324.db2.gz DDBAOJYNZIOOIU-GFCCVEGCSA-N 1 2 354.403 2.861 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CCOC[C@@H]3C)CC2)c1O ZINC000846913777 748573410 /nfs/dbraw/zinc/57/34/10/748573410.db2.gz UNAPCQLRQULGKX-ZDUSSCGKSA-N 1 2 366.889 2.933 20 10 FFCDLO CC(=O)c1cc(Cl)cc(CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1O ZINC000846913777 748573415 /nfs/dbraw/zinc/57/34/15/748573415.db2.gz UNAPCQLRQULGKX-ZDUSSCGKSA-N 1 2 366.889 2.933 20 10 FFCDLO CC(=O)c1cc(Cl)cc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1O ZINC000846913777 748573418 /nfs/dbraw/zinc/57/34/18/748573418.db2.gz UNAPCQLRQULGKX-ZDUSSCGKSA-N 1 2 366.889 2.933 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894753241 965667315 /nfs/dbraw/zinc/66/73/15/965667315.db2.gz RUKOYUBOWXPNJN-GJZGRUSLSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894753241 965667324 /nfs/dbraw/zinc/66/73/24/965667324.db2.gz RUKOYUBOWXPNJN-GJZGRUSLSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(NCc1ccn2cc[nH+]c2c1)NCc1c(O)ccc2c1CCCC2 ZINC000177783476 969342655 /nfs/dbraw/zinc/34/26/55/969342655.db2.gz FZTKTMBOZSGPNN-UHFFFAOYSA-N 1 2 350.422 2.918 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)NCCc2cn(C)c[nH+]2)CCCC1 ZINC000650089080 1014378582 /nfs/dbraw/zinc/37/85/82/1014378582.db2.gz ITFSRWBDEWGYCS-UHFFFAOYSA-N 1 2 366.465 2.621 20 10 FFCDLO OCCSCc1cc[nH+]c(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877128209 1014481982 /nfs/dbraw/zinc/48/19/82/1014481982.db2.gz QWMWTRGPTWZKKT-UHFFFAOYSA-N 1 2 373.522 2.880 20 10 FFCDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000917158857 990160038 /nfs/dbraw/zinc/16/00/38/990160038.db2.gz YOFHPOHQKJXNLO-OAHLLOKOSA-N 1 2 358.413 2.911 20 10 FFCDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000917158857 990160044 /nfs/dbraw/zinc/16/00/44/990160044.db2.gz YOFHPOHQKJXNLO-OAHLLOKOSA-N 1 2 358.413 2.911 20 10 FFCDLO COc1ccc(CCC(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000179996702 991397817 /nfs/dbraw/zinc/39/78/17/991397817.db2.gz YZPPUQIXUMVCNI-UHFFFAOYSA-N 1 2 372.440 2.817 20 10 FFCDLO CCCn1cc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cn1 ZINC000184753386 992973121 /nfs/dbraw/zinc/97/31/21/992973121.db2.gz VUYDZBNQKPRUEX-UHFFFAOYSA-N 1 2 374.485 2.641 20 10 FFCDLO COC(=O)c1c(OC)cc[nH+]c1NCc1cc(Br)ccc1O ZINC001171174114 998460327 /nfs/dbraw/zinc/46/03/27/998460327.db2.gz IXECXAIBPSEMQK-UHFFFAOYSA-N 1 2 367.199 2.957 20 10 FFCDLO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NC[C@@H]1COCCN1C)N=[N+]=[N-] ZINC001169652263 1000066158 /nfs/dbraw/zinc/06/61/58/1000066158.db2.gz XTVLERCTODWKIK-AVIKPIRVSA-N 1 2 374.445 2.655 20 10 FFCDLO Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c[nH+]1 ZINC000767943772 1000163012 /nfs/dbraw/zinc/16/30/12/1000163012.db2.gz QQBHGAJGRLXSON-INIZCTEOSA-N 1 2 354.454 2.840 20 10 FFCDLO COc1ccccc1C(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000768251743 1000200495 /nfs/dbraw/zinc/20/04/95/1000200495.db2.gz IJGKQXITHYDQPY-UHFFFAOYSA-N 1 2 353.466 2.719 20 10 FFCDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)c(O)c1 ZINC000768922418 1000388062 /nfs/dbraw/zinc/38/80/62/1000388062.db2.gz QJOHRLUUADVLLC-UHFFFAOYSA-N 1 2 358.438 2.959 20 10 FFCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000769368793 1000501947 /nfs/dbraw/zinc/50/19/47/1000501947.db2.gz FXLFNZPFDAMHTQ-UHFFFAOYSA-N 1 2 352.434 2.826 20 10 FFCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000769368793 1000501951 /nfs/dbraw/zinc/50/19/51/1000501951.db2.gz FXLFNZPFDAMHTQ-UHFFFAOYSA-N 1 2 352.434 2.826 20 10 FFCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000770352512 1000765305 /nfs/dbraw/zinc/76/53/05/1000765305.db2.gz OAMIMFBKZVWPTH-GUYCJALGSA-N 1 2 366.458 2.515 20 10 FFCDLO COc1cccc(O)c1C[N@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000770352512 1000765308 /nfs/dbraw/zinc/76/53/08/1000765308.db2.gz OAMIMFBKZVWPTH-GUYCJALGSA-N 1 2 366.458 2.515 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001276191556 1016502397 /nfs/dbraw/zinc/50/23/97/1016502397.db2.gz LUSSTBOJBUWZCP-BLVKFPJESA-N 1 2 366.408 2.605 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001276191556 1016502409 /nfs/dbraw/zinc/50/24/09/1016502409.db2.gz LUSSTBOJBUWZCP-BLVKFPJESA-N 1 2 366.408 2.605 20 10 FFCDLO Cc1cccn2cc(CCNC(=O)NCc3ccc(N(C)C)cc3)[nH+]c12 ZINC000746742283 1001782680 /nfs/dbraw/zinc/78/26/80/1001782680.db2.gz RSMUHDZYQSFNPX-UHFFFAOYSA-N 1 2 351.454 2.751 20 10 FFCDLO C[C@@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cc(F)cc(F)c1O ZINC000788608553 1001824653 /nfs/dbraw/zinc/82/46/53/1001824653.db2.gz JVZOLZNKHANOOW-LLVKDONJSA-N 1 2 361.392 2.687 20 10 FFCDLO C[C@@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cc(F)cc(F)c1O ZINC000788608553 1001824660 /nfs/dbraw/zinc/82/46/60/1001824660.db2.gz JVZOLZNKHANOOW-LLVKDONJSA-N 1 2 361.392 2.687 20 10 FFCDLO O=C(c1cccc(O)c1O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000790501329 1002397236 /nfs/dbraw/zinc/39/72/36/1002397236.db2.gz LLAXJSNSCNXTIN-UHFFFAOYSA-N 1 2 363.417 2.604 20 10 FFCDLO COc1c(O)c(C[NH2+]Cc2ccn(Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000793623475 1003448254 /nfs/dbraw/zinc/44/82/54/1003448254.db2.gz GOHWDSQEZPZROY-UHFFFAOYSA-N 1 2 368.393 2.844 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000804966999 1003919100 /nfs/dbraw/zinc/91/91/00/1003919100.db2.gz IHHHTDRRAGYKDC-XLIONFOSSA-N 1 2 374.529 2.537 20 10 FFCDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)C1 ZINC001195274562 1004929358 /nfs/dbraw/zinc/92/93/58/1004929358.db2.gz HYZFVKRAAWVXNB-YWBAYFEHSA-N 1 2 354.410 2.868 20 10 FFCDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)C1 ZINC001195274562 1004929360 /nfs/dbraw/zinc/92/93/60/1004929360.db2.gz HYZFVKRAAWVXNB-YWBAYFEHSA-N 1 2 354.410 2.868 20 10 FFCDLO COc1ccccc1Nc1nc(N)nc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000109772896 1005862495 /nfs/dbraw/zinc/86/24/95/1005862495.db2.gz YNBYNZKZCUPGJQ-UHFFFAOYSA-N 1 2 366.425 2.544 20 10 FFCDLO COc1ccccc1Nc1nc(N)nc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000109772896 1005862497 /nfs/dbraw/zinc/86/24/97/1005862497.db2.gz YNBYNZKZCUPGJQ-UHFFFAOYSA-N 1 2 366.425 2.544 20 10 FFCDLO COC(=O)CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000851715636 1005908674 /nfs/dbraw/zinc/90/86/74/1005908674.db2.gz ABNIOPKOMPKMBF-SFHVURJKSA-N 1 2 362.470 2.604 20 10 FFCDLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000851715636 1005908677 /nfs/dbraw/zinc/90/86/77/1005908677.db2.gz ABNIOPKOMPKMBF-SFHVURJKSA-N 1 2 362.470 2.604 20 10 FFCDLO Cc1cc(C(=O)CN2CCn3c[nH+]cc3C2)c(C)n1-c1ccc(F)cn1 ZINC000852062844 1005938077 /nfs/dbraw/zinc/93/80/77/1005938077.db2.gz CHEOUSQSTNZSDS-UHFFFAOYSA-N 1 2 353.401 2.523 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)O1 ZINC000882589383 1006444468 /nfs/dbraw/zinc/44/44/68/1006444468.db2.gz VSYQLOXCJKURJV-QRWLVFNGSA-N 1 2 372.490 2.959 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)O1 ZINC000882589383 1006444475 /nfs/dbraw/zinc/44/44/75/1006444475.db2.gz VSYQLOXCJKURJV-QRWLVFNGSA-N 1 2 372.490 2.959 20 10 FFCDLO CCOC(=O)c1c(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c2ccccc2n1C ZINC001206244897 1032197668 /nfs/dbraw/zinc/19/76/68/1032197668.db2.gz OHDPLYJXYLOASW-QGZVFWFLSA-N 1 2 369.387 2.821 20 10 FFCDLO CCOC(=O)c1c(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)c2ccccc2n1C ZINC001206244897 1032197669 /nfs/dbraw/zinc/19/76/69/1032197669.db2.gz OHDPLYJXYLOASW-QGZVFWFLSA-N 1 2 369.387 2.821 20 10 FFCDLO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119321 1008866341 /nfs/dbraw/zinc/86/63/41/1008866341.db2.gz ORXBOAGWTGHPIP-LLVKDONJSA-N 1 2 356.813 2.669 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2c[nH+]cn2C)ccc1C ZINC000861752231 1009538879 /nfs/dbraw/zinc/53/88/79/1009538879.db2.gz CJWALYGDPGMOQV-UHFFFAOYSA-N 1 2 350.422 2.879 20 10 FFCDLO COC(=O)c1ccc(F)c2c1C[N@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000862469006 1009851850 /nfs/dbraw/zinc/85/18/50/1009851850.db2.gz WCWKHLCFDUVSCR-UHFFFAOYSA-N 1 2 359.353 2.605 20 10 FFCDLO COC(=O)c1ccc(F)c2c1C[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000862469006 1009851864 /nfs/dbraw/zinc/85/18/64/1009851864.db2.gz WCWKHLCFDUVSCR-UHFFFAOYSA-N 1 2 359.353 2.605 20 10 FFCDLO CC(C)n1ncnc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000865419096 1010781489 /nfs/dbraw/zinc/78/14/89/1010781489.db2.gz UITNOCGQIZWOBC-GASCZTMLSA-N 1 2 361.465 2.902 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)CCOCCO)c(C)n1-c1ccc(C)c(F)c1 ZINC000800508238 1020365441 /nfs/dbraw/zinc/36/54/41/1020365441.db2.gz OBUPEHXBTFMZTD-UHFFFAOYSA-N 1 2 362.445 2.665 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)CCOCCO)c(C)n1-c1ccc(C)c(F)c1 ZINC000800508238 1020365446 /nfs/dbraw/zinc/36/54/46/1020365446.db2.gz OBUPEHXBTFMZTD-UHFFFAOYSA-N 1 2 362.445 2.665 20 10 FFCDLO Oc1cccc(F)c1C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001137837666 1033179911 /nfs/dbraw/zinc/17/99/11/1033179911.db2.gz QHNHDASENWPAPK-UHFFFAOYSA-N 1 2 356.323 2.662 20 10 FFCDLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[N@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000758294351 1024023317 /nfs/dbraw/zinc/02/33/17/1024023317.db2.gz FGALESYLHHMJNZ-HZPDHXFCSA-N 1 2 372.513 2.889 20 10 FFCDLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[N@@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000758294351 1024023330 /nfs/dbraw/zinc/02/33/30/1024023330.db2.gz FGALESYLHHMJNZ-HZPDHXFCSA-N 1 2 372.513 2.889 20 10 FFCDLO COc1ccc(N2CCC[N@H+](CN3Cc4ccc(F)cc4C3=O)CC2)cc1 ZINC000092880690 1027489642 /nfs/dbraw/zinc/48/96/42/1027489642.db2.gz RORHDRNVOPGUFM-UHFFFAOYSA-N 1 2 369.440 2.960 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](CN3Cc4ccc(F)cc4C3=O)CC2)cc1 ZINC000092880690 1027489662 /nfs/dbraw/zinc/48/96/62/1027489662.db2.gz RORHDRNVOPGUFM-UHFFFAOYSA-N 1 2 369.440 2.960 20 10 FFCDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093413310 1027713381 /nfs/dbraw/zinc/71/33/81/1027713381.db2.gz ZTVAMNVIMQEFOQ-LJQANCHMSA-N 1 2 366.509 2.797 20 10 FFCDLO Nc1ccc(CCNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000841882976 1030519230 /nfs/dbraw/zinc/51/92/30/1030519230.db2.gz BBKMVYJRFMVFAR-UHFFFAOYSA-N 1 2 372.900 2.822 20 10 FFCDLO Nc1ccc(CCNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000841882976 1030519240 /nfs/dbraw/zinc/51/92/40/1030519240.db2.gz BBKMVYJRFMVFAR-UHFFFAOYSA-N 1 2 372.900 2.822 20 10 FFCDLO COc1ccnc(OC2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)n1 ZINC001142531029 1030581735 /nfs/dbraw/zinc/58/17/35/1030581735.db2.gz NYOFFPWDYPAFDX-UHFFFAOYSA-N 1 2 351.353 2.512 20 10 FFCDLO Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001203577380 1030769663 /nfs/dbraw/zinc/76/96/63/1030769663.db2.gz CDPHGGFRAFSCFQ-GASCZTMLSA-N 1 2 357.281 2.994 20 10 FFCDLO CCOc1cccc(C[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)c1O ZINC001203610221 1030785951 /nfs/dbraw/zinc/78/59/51/1030785951.db2.gz ZPKLZLWWLFOSAE-UHFFFAOYSA-N 1 2 367.453 2.638 20 10 FFCDLO CCOc1cccc(C[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)c1O ZINC001203610221 1030785955 /nfs/dbraw/zinc/78/59/55/1030785955.db2.gz ZPKLZLWWLFOSAE-UHFFFAOYSA-N 1 2 367.453 2.638 20 10 FFCDLO CCOc1cccc(C[N@@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)c1O ZINC001203609877 1030786759 /nfs/dbraw/zinc/78/67/59/1030786759.db2.gz NMSLMYAVMNLTMV-UHFFFAOYSA-N 1 2 371.437 2.573 20 10 FFCDLO CCOc1cccc(C[N@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)c1O ZINC001203609877 1030786773 /nfs/dbraw/zinc/78/67/73/1030786773.db2.gz NMSLMYAVMNLTMV-UHFFFAOYSA-N 1 2 371.437 2.573 20 10 FFCDLO COC(=O)c1cc(Br)c(O)c(CN2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205843972 1032028762 /nfs/dbraw/zinc/02/87/62/1032028762.db2.gz UXLSUIOQGYCCIO-MFKMUULPSA-N 1 2 371.275 2.501 20 10 FFCDLO Nc1ccc(N(C(=O)C2(F)C[NH2+]C2)c2ccc3ccccc3c2N)cc1 ZINC001219471693 1033660339 /nfs/dbraw/zinc/66/03/39/1033660339.db2.gz OSDQGVRBRDNGHY-UHFFFAOYSA-N 1 2 350.397 2.980 20 10 FFCDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967509 1033865312 /nfs/dbraw/zinc/86/53/12/1033865312.db2.gz NIAMPPODOWONFE-AMKSKSKJSA-N 1 2 368.836 2.728 20 10 FFCDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001276967509 1033865321 /nfs/dbraw/zinc/86/53/21/1033865321.db2.gz NIAMPPODOWONFE-AMKSKSKJSA-N 1 2 368.836 2.728 20 10 FFCDLO CCN(CC)c1ccc(CN2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)c(OC)c1 ZINC001138392532 1034227556 /nfs/dbraw/zinc/22/75/56/1034227556.db2.gz ZHSORUUEMHLFEL-IAGOWNOFSA-N 1 2 361.530 2.835 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c(OC)c1 ZINC001138392532 1034227570 /nfs/dbraw/zinc/22/75/70/1034227570.db2.gz ZHSORUUEMHLFEL-IAGOWNOFSA-N 1 2 361.530 2.835 20 10 FFCDLO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139126013 1034956050 /nfs/dbraw/zinc/95/60/50/1034956050.db2.gz SZJFRPPQQCTNLS-GHTZIAJQSA-N 1 2 373.449 2.825 20 10 FFCDLO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139126013 1034956059 /nfs/dbraw/zinc/95/60/59/1034956059.db2.gz SZJFRPPQQCTNLS-GHTZIAJQSA-N 1 2 373.449 2.825 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001139127060 1034957172 /nfs/dbraw/zinc/95/71/72/1034957172.db2.gz DBKBQCXWZFTKGC-UHFFFAOYSA-N 1 2 358.438 2.531 20 10 FFCDLO O=C1N(Cc2cccnc2)CC[C@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581560 1035660864 /nfs/dbraw/zinc/66/08/64/1035660864.db2.gz ZBJHNDYZCPOGID-FQEVSTJZSA-N 1 2 373.403 2.690 20 10 FFCDLO O=C1N(Cc2cccnc2)CC[C@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581560 1035660871 /nfs/dbraw/zinc/66/08/71/1035660871.db2.gz ZBJHNDYZCPOGID-FQEVSTJZSA-N 1 2 373.403 2.690 20 10 FFCDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3cc(O)c(O)c(O)c3)C2)CC1 ZINC001233012150 1036245132 /nfs/dbraw/zinc/24/51/32/1036245132.db2.gz FEDCWHDIYGAAIX-UHFFFAOYSA-N 1 2 364.442 2.636 20 10 FFCDLO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001233011042 1036247559 /nfs/dbraw/zinc/24/75/59/1036247559.db2.gz YFVLXGYISXAMLG-GFCCVEGCSA-N 1 2 352.431 2.635 20 10 FFCDLO C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001233011042 1036247575 /nfs/dbraw/zinc/24/75/75/1036247575.db2.gz YFVLXGYISXAMLG-GFCCVEGCSA-N 1 2 352.431 2.635 20 10 FFCDLO CCO[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)[C@H]1Cc1cnn(C)c1 ZINC001233075031 1036319101 /nfs/dbraw/zinc/31/91/01/1036319101.db2.gz PJTWMZSKGMSZRD-HOTGVXAUSA-N 1 2 351.397 2.626 20 10 FFCDLO CCO[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)[C@H]1Cc1cnn(C)c1 ZINC001233075031 1036319120 /nfs/dbraw/zinc/31/91/20/1036319120.db2.gz PJTWMZSKGMSZRD-HOTGVXAUSA-N 1 2 351.397 2.626 20 10 FFCDLO Oc1c(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)ccc(F)c1F ZINC001233074481 1036319214 /nfs/dbraw/zinc/31/92/14/1036319214.db2.gz JFXYKTHTSQFNBL-VCBZYWHSSA-N 1 2 362.376 2.876 20 10 FFCDLO Oc1c(C[N@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)ccc(F)c1F ZINC001233074481 1036319235 /nfs/dbraw/zinc/31/92/35/1036319235.db2.gz JFXYKTHTSQFNBL-VCBZYWHSSA-N 1 2 362.376 2.876 20 10 FFCDLO COc1cc(C)nc(OC2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)n1 ZINC001233079431 1036325279 /nfs/dbraw/zinc/32/52/79/1036325279.db2.gz BYIAPHOEISUSSO-UHFFFAOYSA-N 1 2 365.380 2.821 20 10 FFCDLO NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)cc1 ZINC001233079609 1036328244 /nfs/dbraw/zinc/32/82/44/1036328244.db2.gz HAHUGRRQWWRNHT-HNNXBMFYSA-N 1 2 362.376 2.813 20 10 FFCDLO NC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)cc1 ZINC001233079609 1036328255 /nfs/dbraw/zinc/32/82/55/1036328255.db2.gz HAHUGRRQWWRNHT-HNNXBMFYSA-N 1 2 362.376 2.813 20 10 FFCDLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c(O)ccc(F)c3F)O2)n1 ZINC001233333328 1036537961 /nfs/dbraw/zinc/53/79/61/1036537961.db2.gz RSRHKVVQRBGWBJ-BPLDGKMQSA-N 1 2 351.353 2.856 20 10 FFCDLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c(O)ccc(F)c3F)O2)n1 ZINC001233333328 1036537970 /nfs/dbraw/zinc/53/79/70/1036537970.db2.gz RSRHKVVQRBGWBJ-BPLDGKMQSA-N 1 2 351.353 2.856 20 10 FFCDLO COc1cc(O)c(CN2CC[NH+](Cc3ccccc3OC)CC2)c(OC)c1 ZINC001141028114 1036765449 /nfs/dbraw/zinc/76/54/49/1036765449.db2.gz BSDNWRNJSADNRK-UHFFFAOYSA-N 1 2 372.465 2.736 20 10 FFCDLO COc1ccc2ccc(O)c(C[NH+]3CCN(C(=O)C(F)(F)F)CC3)c2c1 ZINC001234525940 1037073221 /nfs/dbraw/zinc/07/32/21/1037073221.db2.gz NSMNEVZTPYIWTJ-UHFFFAOYSA-N 1 2 368.355 2.761 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3O)CC[C@@H]21 ZINC001235306450 1037464305 /nfs/dbraw/zinc/46/43/05/1037464305.db2.gz FQIPEKKVOABUNY-YGRLFVJLSA-N 1 2 371.250 2.737 20 10 FFCDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3O)CC[C@@H]21 ZINC001235306450 1037464312 /nfs/dbraw/zinc/46/43/12/1037464312.db2.gz FQIPEKKVOABUNY-YGRLFVJLSA-N 1 2 371.250 2.737 20 10 FFCDLO OCc1ncn2c1C[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)CC2 ZINC001235508442 1037595137 /nfs/dbraw/zinc/59/51/37/1037595137.db2.gz MLUJMQNYXJUJHC-UHFFFAOYSA-N 1 2 353.397 2.903 20 10 FFCDLO OCc1ncn2c1C[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)CC2 ZINC001235508442 1037595149 /nfs/dbraw/zinc/59/51/49/1037595149.db2.gz MLUJMQNYXJUJHC-UHFFFAOYSA-N 1 2 353.397 2.903 20 10 FFCDLO COC(=O)[C@@H]1C[C@](O)(C(F)(F)F)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587884 1037709727 /nfs/dbraw/zinc/70/97/27/1037709727.db2.gz IJWPZGXFWXBALE-WMLDXEAASA-N 1 2 369.339 2.586 20 10 FFCDLO COC(=O)[C@@H]1C[C@](O)(C(F)(F)F)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587884 1037709741 /nfs/dbraw/zinc/70/97/41/1037709741.db2.gz IJWPZGXFWXBALE-WMLDXEAASA-N 1 2 369.339 2.586 20 10 FFCDLO Oc1c(Cl)cccc1C[N@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001231909972 1038002491 /nfs/dbraw/zinc/00/24/91/1038002491.db2.gz IIZLOXGHZPLGLR-UHFFFAOYSA-N 1 2 357.845 2.545 20 10 FFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001231909972 1038002511 /nfs/dbraw/zinc/00/25/11/1038002511.db2.gz IIZLOXGHZPLGLR-UHFFFAOYSA-N 1 2 357.845 2.545 20 10 FFCDLO O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911483 1038008678 /nfs/dbraw/zinc/00/86/78/1038008678.db2.gz MGPUNEWOCMACKJ-OXJNMPFZSA-N 1 2 371.868 2.969 20 10 FFCDLO O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231911483 1038008694 /nfs/dbraw/zinc/00/86/94/1038008694.db2.gz MGPUNEWOCMACKJ-OXJNMPFZSA-N 1 2 371.868 2.969 20 10 FFCDLO O=C(c1cccnc1)N1C[C@H]2C[NH+](Cc3cccc(Cl)c3O)C[C@@H]2C1 ZINC001231912271 1038009679 /nfs/dbraw/zinc/00/96/79/1038009679.db2.gz YPMGOJOGPNHREZ-HZPDHXFCSA-N 1 2 357.841 2.645 20 10 FFCDLO COCCOCN1CC[C@@]2(CCC[N@@H+](c3ccc(OC)cc3)CC2)C1=O ZINC001277989047 1038154413 /nfs/dbraw/zinc/15/44/13/1038154413.db2.gz PSPMWVIFAISCPS-FQEVSTJZSA-N 1 2 362.470 2.525 20 10 FFCDLO COCCOCN1CC[C@@]2(CCC[N@H+](c3ccc(OC)cc3)CC2)C1=O ZINC001277989047 1038154421 /nfs/dbraw/zinc/15/44/21/1038154421.db2.gz PSPMWVIFAISCPS-FQEVSTJZSA-N 1 2 362.470 2.525 20 10 FFCDLO CCOc1ccc(N2CCC[C@]23CCN(Cc2c[nH+]cn2C)C3=O)cc1 ZINC001278000990 1038216201 /nfs/dbraw/zinc/21/62/01/1038216201.db2.gz URLQWZMGTPMDKN-HXUWFJFHSA-N 1 2 354.454 2.590 20 10 FFCDLO COc1ccc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)c(O)c1Cl ZINC001236803633 1038278920 /nfs/dbraw/zinc/27/89/20/1038278920.db2.gz ITBDVNFGUAUYHK-UHFFFAOYSA-N 1 2 350.846 2.641 20 10 FFCDLO COc1ccc(C[N@H+]2CC3CC2(C(=O)N2CCCC2)C3)c(O)c1Cl ZINC001236803633 1038278934 /nfs/dbraw/zinc/27/89/34/1038278934.db2.gz ITBDVNFGUAUYHK-UHFFFAOYSA-N 1 2 350.846 2.641 20 10 FFCDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236924559 1038358415 /nfs/dbraw/zinc/35/84/15/1038358415.db2.gz LNONDJXVCRUHFW-GOSISDBHSA-N 1 2 352.862 2.704 20 10 FFCDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236924559 1038358418 /nfs/dbraw/zinc/35/84/18/1038358418.db2.gz LNONDJXVCRUHFW-GOSISDBHSA-N 1 2 352.862 2.704 20 10 FFCDLO CCOc1ccc(C[N@@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)c(O)c1 ZINC001237042209 1038418495 /nfs/dbraw/zinc/41/84/95/1038418495.db2.gz YHAHJVHJMXOQLL-UHFFFAOYSA-N 1 2 371.437 2.573 20 10 FFCDLO CCOc1ccc(C[N@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)c(O)c1 ZINC001237042209 1038418501 /nfs/dbraw/zinc/41/85/01/1038418501.db2.gz YHAHJVHJMXOQLL-UHFFFAOYSA-N 1 2 371.437 2.573 20 10 FFCDLO C[NH+]1CCN(c2ccc(CN3C[C@@H](F)[C@H](F)C3)cc2Br)CC1 ZINC001237090988 1038441052 /nfs/dbraw/zinc/44/10/52/1038441052.db2.gz VCOBKRGOZTXNJL-HUUCEWRRSA-N 1 2 374.273 2.693 20 10 FFCDLO COc1cc(I)cc(C[NH+]2CCSCC2)c1O ZINC001248391101 1040253580 /nfs/dbraw/zinc/25/35/80/1040253580.db2.gz MJSQAJDGTOGUFM-UHFFFAOYSA-N 1 2 365.236 2.554 20 10 FFCDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC001261071180 1040973929 /nfs/dbraw/zinc/97/39/29/1040973929.db2.gz QHFRXADCQBWXPG-UHFFFAOYSA-N 1 2 366.830 2.739 20 10 FFCDLO CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001261185733 1041055268 /nfs/dbraw/zinc/05/52/68/1041055268.db2.gz RLOBTSXFYGIBRH-UHFFFAOYSA-N 1 2 362.537 2.885 20 10 FFCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1c(C)cccc1O ZINC001237485078 1043196723 /nfs/dbraw/zinc/19/67/23/1043196723.db2.gz DASKCUOZXZMAMG-SFHVURJKSA-N 1 2 356.470 2.714 20 10 FFCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1c(C)cccc1O ZINC001237485078 1043196727 /nfs/dbraw/zinc/19/67/27/1043196727.db2.gz DASKCUOZXZMAMG-SFHVURJKSA-N 1 2 356.470 2.714 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cc(OC)nc(OC)c3)CC2)c(C)c1 ZINC001237561518 1043241490 /nfs/dbraw/zinc/24/14/90/1043241490.db2.gz WFNFRFSGBXVQBP-UHFFFAOYSA-N 1 2 357.454 2.738 20 10 FFCDLO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237677562 1043305032 /nfs/dbraw/zinc/30/50/32/1043305032.db2.gz DLXLAUGHHUMKFA-UHFFFAOYSA-N 1 2 366.458 2.899 20 10 FFCDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(Br)c(C)cc1O ZINC001237683119 1043310040 /nfs/dbraw/zinc/31/00/40/1043310040.db2.gz JBZQPDNEGMROEQ-PBWFPOADSA-N 1 2 356.260 2.841 20 10 FFCDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(Br)c(C)cc1O ZINC001237683119 1043310052 /nfs/dbraw/zinc/31/00/52/1043310052.db2.gz JBZQPDNEGMROEQ-PBWFPOADSA-N 1 2 356.260 2.841 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(Br)c(C)cc1O ZINC001237685406 1043311889 /nfs/dbraw/zinc/31/18/89/1043311889.db2.gz PYEGRQLECPDPLQ-GMXABZIVSA-N 1 2 354.244 2.989 20 10 FFCDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(Br)c(C)cc1O ZINC001237685406 1043311896 /nfs/dbraw/zinc/31/18/96/1043311896.db2.gz PYEGRQLECPDPLQ-GMXABZIVSA-N 1 2 354.244 2.989 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935197 1043442408 /nfs/dbraw/zinc/44/24/08/1043442408.db2.gz RCFUMVXKQYSJNO-RYUDHWBXSA-N 1 2 374.840 2.645 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237935197 1043442411 /nfs/dbraw/zinc/44/24/11/1043442411.db2.gz RCFUMVXKQYSJNO-RYUDHWBXSA-N 1 2 374.840 2.645 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCCC3(CN(C)C3)C2)c(Br)c1 ZINC001279673229 1043443144 /nfs/dbraw/zinc/44/31/44/1043443144.db2.gz KLCKCJYWTKIVSJ-UHFFFAOYSA-N 1 2 355.276 2.691 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCCC3(CN(C)C3)C2)c(Br)c1 ZINC001279673229 1043443152 /nfs/dbraw/zinc/44/31/52/1043443152.db2.gz KLCKCJYWTKIVSJ-UHFFFAOYSA-N 1 2 355.276 2.691 20 10 FFCDLO COc1nc(Cl)c(C[N@H+](C)CCN(C)c2ccc(OC)cc2)n1C ZINC001332609656 1048473453 /nfs/dbraw/zinc/47/34/53/1048473453.db2.gz BNHLEIBWJLWTLS-UHFFFAOYSA-N 1 2 352.866 2.659 20 10 FFCDLO COc1nc(Cl)c(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)n1C ZINC001332609656 1048473458 /nfs/dbraw/zinc/47/34/58/1048473458.db2.gz BNHLEIBWJLWTLS-UHFFFAOYSA-N 1 2 352.866 2.659 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001334375398 1049399036 /nfs/dbraw/zinc/39/90/36/1049399036.db2.gz OXZKSPMZHIKYTD-ZJUUUORDSA-N 1 2 353.287 2.844 20 10 FFCDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001334375398 1049399046 /nfs/dbraw/zinc/39/90/46/1049399046.db2.gz OXZKSPMZHIKYTD-ZJUUUORDSA-N 1 2 353.287 2.844 20 10 FFCDLO COC(=O)c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)N2 ZINC001462605810 1061689962 /nfs/dbraw/zinc/68/99/62/1061689962.db2.gz COCYPLBJCWZYPG-INIZCTEOSA-N 1 2 374.824 2.875 20 10 FFCDLO C[N@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1COC[C@H]1O ZINC001560152121 1076236549 /nfs/dbraw/zinc/23/65/49/1076236549.db2.gz BEOMEAMKXDYUAV-QZTJIDSGSA-N 1 2 354.410 2.732 20 10 FFCDLO C[N@@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1COC[C@H]1O ZINC001560152121 1076236554 /nfs/dbraw/zinc/23/65/54/1076236554.db2.gz BEOMEAMKXDYUAV-QZTJIDSGSA-N 1 2 354.410 2.732 20 10 FFCDLO C[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589953802 1080899545 /nfs/dbraw/zinc/89/95/45/1080899545.db2.gz VYCSSHGOQGWHHR-QWHCGFSZSA-N 1 2 367.457 2.981 20 10 FFCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 ZINC000052467002 507810320 /nfs/dbraw/zinc/81/03/20/507810320.db2.gz WSHNPMJWPVHEBX-OAHLLOKOSA-N 1 2 358.442 2.531 20 10 FFCDLO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 ZINC000052467002 507810321 /nfs/dbraw/zinc/81/03/21/507810321.db2.gz WSHNPMJWPVHEBX-OAHLLOKOSA-N 1 2 358.442 2.531 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000122371083 508524863 /nfs/dbraw/zinc/52/48/63/508524863.db2.gz XOOVZBQMMSVINW-UHFFFAOYSA-N 1 2 352.482 2.771 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000122371083 508524867 /nfs/dbraw/zinc/52/48/67/508524867.db2.gz XOOVZBQMMSVINW-UHFFFAOYSA-N 1 2 352.482 2.771 20 10 FFCDLO COC(=O)[C@H](c1cccnc1)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000156267558 509152566 /nfs/dbraw/zinc/15/25/66/509152566.db2.gz PTOOWGUJWZVRNP-IBGZPJMESA-N 1 2 355.438 2.517 20 10 FFCDLO COC(=O)[C@H](c1cccnc1)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000156267558 509152569 /nfs/dbraw/zinc/15/25/69/509152569.db2.gz PTOOWGUJWZVRNP-IBGZPJMESA-N 1 2 355.438 2.517 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1O ZINC000121349549 509168748 /nfs/dbraw/zinc/16/87/48/509168748.db2.gz NNOPCIUGCFBVCF-UHFFFAOYSA-N 1 2 350.846 2.693 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1O ZINC000121349549 509168750 /nfs/dbraw/zinc/16/87/50/509168750.db2.gz NNOPCIUGCFBVCF-UHFFFAOYSA-N 1 2 350.846 2.693 20 10 FFCDLO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(F)c1O ZINC000276239146 510929953 /nfs/dbraw/zinc/92/99/53/510929953.db2.gz AXKDBOCFQRMLEF-SNVBAGLBSA-N 1 2 356.394 2.893 20 10 FFCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000276648665 510944143 /nfs/dbraw/zinc/94/41/43/510944143.db2.gz WEZZVICWGVMKMF-VQFGERMISA-N 1 2 354.454 2.697 20 10 FFCDLO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(F)c(F)c1 ZINC000276656405 510944556 /nfs/dbraw/zinc/94/45/56/510944556.db2.gz XKUDTZCSVNNRRF-CZUORRHYSA-N 1 2 366.339 2.690 20 10 FFCDLO C[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(F)c(F)c1 ZINC000276656405 510944557 /nfs/dbraw/zinc/94/45/57/510944557.db2.gz XKUDTZCSVNNRRF-CZUORRHYSA-N 1 2 366.339 2.690 20 10 FFCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000277063836 510953621 /nfs/dbraw/zinc/95/36/21/510953621.db2.gz WKQYRYYIGQYPBG-CQSZACIVSA-N 1 2 367.829 2.506 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000277063836 510953627 /nfs/dbraw/zinc/95/36/27/510953627.db2.gz WKQYRYYIGQYPBG-CQSZACIVSA-N 1 2 367.829 2.506 20 10 FFCDLO CC[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Cl)cc(Cl)c1O ZINC000289714460 511112851 /nfs/dbraw/zinc/11/28/51/511112851.db2.gz JFOAITGZXPMZMN-AWEZNQCLSA-N 1 2 359.257 2.914 20 10 FFCDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000362375166 511182862 /nfs/dbraw/zinc/18/28/62/511182862.db2.gz BJJUAYXYRVSGFB-HXUWFJFHSA-N 1 2 364.449 2.638 20 10 FFCDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000362375166 511182867 /nfs/dbraw/zinc/18/28/67/511182867.db2.gz BJJUAYXYRVSGFB-HXUWFJFHSA-N 1 2 364.449 2.638 20 10 FFCDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(C)c(C)cc1O ZINC000362375166 511182871 /nfs/dbraw/zinc/18/28/71/511182871.db2.gz BJJUAYXYRVSGFB-HXUWFJFHSA-N 1 2 364.449 2.638 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1O ZINC000293361370 511937685 /nfs/dbraw/zinc/93/76/85/511937685.db2.gz OJEMOFNAXYDAIY-LBPRGKRZSA-N 1 2 359.875 2.505 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1O ZINC000293361370 511937691 /nfs/dbraw/zinc/93/76/91/511937691.db2.gz OJEMOFNAXYDAIY-LBPRGKRZSA-N 1 2 359.875 2.505 20 10 FFCDLO O=C(NCCCNc1cccc[nH+]1)NCCCSc1nccs1 ZINC000152348885 728756688 /nfs/dbraw/zinc/75/66/88/728756688.db2.gz JUGSGDJUJLTQTP-UHFFFAOYSA-N 1 2 351.501 2.822 20 10 FFCDLO C[N@H+](Cc1cccc(Br)c1O)CC(C)(C)CN1CCOCC1 ZINC000093769656 728477747 /nfs/dbraw/zinc/47/77/47/728477747.db2.gz PVHZQBOMABJISV-UHFFFAOYSA-N 1 2 371.319 2.945 20 10 FFCDLO C[N@@H+](Cc1cccc(Br)c1O)CC(C)(C)CN1CCOCC1 ZINC000093769656 728477748 /nfs/dbraw/zinc/47/77/48/728477748.db2.gz PVHZQBOMABJISV-UHFFFAOYSA-N 1 2 371.319 2.945 20 10 FFCDLO CC(=O)c1cc(Cl)cc(CN2CC[NH+](CCOC(C)C)CC2)c1O ZINC000177362387 729134762 /nfs/dbraw/zinc/13/47/62/729134762.db2.gz PGMLEODSWGZTFQ-UHFFFAOYSA-N 1 2 354.878 2.791 20 10 FFCDLO NC(=O)N=Nc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000873824234 731969199 /nfs/dbraw/zinc/96/91/99/731969199.db2.gz CRBZAMHXMBNXNM-UHFFFAOYSA-N 1 2 357.439 2.869 20 10 FFCDLO OC/C=C/C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000826938021 743473701 /nfs/dbraw/zinc/47/37/01/743473701.db2.gz XLOSXMCLUJETGX-OWOJBTEDSA-N 1 2 351.038 2.555 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000781907063 738670867 /nfs/dbraw/zinc/67/08/67/738670867.db2.gz CUDYAWFRZJHRDZ-MNOVXSKESA-N 1 2 364.305 2.717 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000781907063 738670869 /nfs/dbraw/zinc/67/08/69/738670869.db2.gz CUDYAWFRZJHRDZ-MNOVXSKESA-N 1 2 364.305 2.717 20 10 FFCDLO COC(=O)C[N@H+](Cc1cc(C)cc(Br)c1O)C1CCOCC1 ZINC000781909098 738670760 /nfs/dbraw/zinc/67/07/60/738670760.db2.gz PQISAIAUXRICOQ-UHFFFAOYSA-N 1 2 372.259 2.617 20 10 FFCDLO COC(=O)C[N@@H+](Cc1cc(C)cc(Br)c1O)C1CCOCC1 ZINC000781909098 738670763 /nfs/dbraw/zinc/67/07/63/738670763.db2.gz PQISAIAUXRICOQ-UHFFFAOYSA-N 1 2 372.259 2.617 20 10 FFCDLO C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)c(F)cc1O ZINC000927147851 738696754 /nfs/dbraw/zinc/69/67/54/738696754.db2.gz TYFDXLDWQHYSSI-RKDXNWHRSA-N 1 2 369.238 2.630 20 10 FFCDLO CC(C)[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1nncn1C ZINC000883116846 733337300 /nfs/dbraw/zinc/33/73/00/733337300.db2.gz HUNOXFBZVUTYCI-GFCCVEGCSA-N 1 2 357.227 2.909 20 10 FFCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCCOC1 ZINC000883146441 733342316 /nfs/dbraw/zinc/34/23/16/733342316.db2.gz NDKJNXQUYDEYSQ-RNCFNFMXSA-N 1 2 364.667 2.685 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000720426009 734379198 /nfs/dbraw/zinc/37/91/98/734379198.db2.gz VSODKSLELBYYOR-UONOGXRCSA-N 1 2 357.317 2.824 20 10 FFCDLO CCc1nsc(N2CCC[N@H+](Cc3cc(F)cc(F)c3O)CC2)n1 ZINC000894083035 734798069 /nfs/dbraw/zinc/79/80/69/734798069.db2.gz ASJWJEJEGBNIBO-UHFFFAOYSA-N 1 2 354.426 2.797 20 10 FFCDLO CCc1nsc(N2CCC[N@@H+](Cc3cc(F)cc(F)c3O)CC2)n1 ZINC000894083035 734798073 /nfs/dbraw/zinc/79/80/73/734798073.db2.gz ASJWJEJEGBNIBO-UHFFFAOYSA-N 1 2 354.426 2.797 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000896455400 735164679 /nfs/dbraw/zinc/16/46/79/735164679.db2.gz GKCWVTTUMIIOKP-JTQLQIEISA-N 1 2 352.334 2.789 20 10 FFCDLO COc1c(O)c(C[N@H+]2CCS[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000896455400 735164681 /nfs/dbraw/zinc/16/46/81/735164681.db2.gz GKCWVTTUMIIOKP-JTQLQIEISA-N 1 2 352.334 2.789 20 10 FFCDLO O=C1NCCC2(CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)O1 ZINC000897010188 735191787 /nfs/dbraw/zinc/19/17/87/735191787.db2.gz HQLAIKKBMSNFBR-UHFFFAOYSA-N 1 2 373.222 2.758 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000897692029 735265275 /nfs/dbraw/zinc/26/52/75/735265275.db2.gz MTJDCHTUYHGJHT-KRWDZBQOSA-N 1 2 356.850 2.507 20 10 FFCDLO CC[N@H+](CCCN1C(=O)CS/C1=C/C(=O)OC)c1ccc(OC)cc1 ZINC000747814252 735593695 /nfs/dbraw/zinc/59/36/95/735593695.db2.gz XLLHJQFECQVASB-SFQUDFHCSA-N 1 2 364.467 2.501 20 10 FFCDLO CC[N@@H+](CCCN1C(=O)CS/C1=C/C(=O)OC)c1ccc(OC)cc1 ZINC000747814252 735593700 /nfs/dbraw/zinc/59/37/00/735593700.db2.gz XLLHJQFECQVASB-SFQUDFHCSA-N 1 2 364.467 2.501 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000750045226 735768010 /nfs/dbraw/zinc/76/80/10/735768010.db2.gz NHNLVIDIJJUTBO-HNNXBMFYSA-N 1 2 350.846 2.835 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000750045226 735768015 /nfs/dbraw/zinc/76/80/15/735768015.db2.gz NHNLVIDIJJUTBO-HNNXBMFYSA-N 1 2 350.846 2.835 20 10 FFCDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000752094608 735956877 /nfs/dbraw/zinc/95/68/77/735956877.db2.gz RPWHTULXRYDWBB-SJORKVTESA-N 1 2 350.434 2.955 20 10 FFCDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000752094608 735956881 /nfs/dbraw/zinc/95/68/81/735956881.db2.gz RPWHTULXRYDWBB-SJORKVTESA-N 1 2 350.434 2.955 20 10 FFCDLO CCOC(=O)c1ccc(N2CC([NH2+]Cc3cccc(Cl)c3O)C2)nc1 ZINC000753567644 736078594 /nfs/dbraw/zinc/07/85/94/736078594.db2.gz BXKTUUQUXRYPFY-UHFFFAOYSA-N 1 2 361.829 2.596 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(Br)cc(Cl)c1O ZINC000756434439 736330648 /nfs/dbraw/zinc/33/06/48/736330648.db2.gz NNSHRCCTMWFCKS-SCZZXKLOSA-N 1 2 350.640 2.874 20 10 FFCDLO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)cc(F)c1O ZINC000756511149 736337650 /nfs/dbraw/zinc/33/76/50/736337650.db2.gz LXMVQYAZOYLUAJ-CABZTGNLSA-N 1 2 362.239 2.732 20 10 FFCDLO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000756535138 736339863 /nfs/dbraw/zinc/33/98/63/736339863.db2.gz OTEPFMNRANBRSA-WDEREUQCSA-N 1 2 361.255 2.665 20 10 FFCDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000756719718 736355109 /nfs/dbraw/zinc/35/51/09/736355109.db2.gz CEJQQPUMAFGVAQ-GFCCVEGCSA-N 1 2 351.501 2.558 20 10 FFCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000769410298 737525752 /nfs/dbraw/zinc/52/57/52/737525752.db2.gz GQEWOTJYXBGZLO-ZDUSSCGKSA-N 1 2 356.260 2.973 20 10 FFCDLO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775741735 738120231 /nfs/dbraw/zinc/12/02/31/738120231.db2.gz PZANGJMADPRIBT-BDJLRTHQSA-N 1 2 353.825 2.864 20 10 FFCDLO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775741735 738120233 /nfs/dbraw/zinc/12/02/33/738120233.db2.gz PZANGJMADPRIBT-BDJLRTHQSA-N 1 2 353.825 2.864 20 10 FFCDLO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000776253056 738174490 /nfs/dbraw/zinc/17/44/90/738174490.db2.gz MDXSSBBYQKRIOH-KRWDZBQOSA-N 1 2 362.857 2.509 20 10 FFCDLO COC(=O)C[N@H+](CCC(C)(C)C(=O)OC)Cc1cc(Cl)ccc1O ZINC000792821208 739710190 /nfs/dbraw/zinc/71/01/90/739710190.db2.gz ZTLJPCJRQRWIGG-UHFFFAOYSA-N 1 2 357.834 2.610 20 10 FFCDLO COC(=O)C[N@@H+](CCC(C)(C)C(=O)OC)Cc1cc(Cl)ccc1O ZINC000792821208 739710192 /nfs/dbraw/zinc/71/01/92/739710192.db2.gz ZTLJPCJRQRWIGG-UHFFFAOYSA-N 1 2 357.834 2.610 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@]2(CCCOC2)O1 ZINC000796031276 740093908 /nfs/dbraw/zinc/09/39/08/740093908.db2.gz IXNKGPJRQKQZLI-WBMJQRKESA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@]2(CCCOC2)O1 ZINC000796031276 740093914 /nfs/dbraw/zinc/09/39/14/740093914.db2.gz IXNKGPJRQKQZLI-WBMJQRKESA-N 1 2 356.260 2.925 20 10 FFCDLO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)c(F)cc1O ZINC000799727765 740446000 /nfs/dbraw/zinc/44/60/00/740446000.db2.gz YFJWJKJXJPRDHP-RLBGWGEZSA-N 1 2 350.253 2.856 20 10 FFCDLO COCCn1cc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000800496284 740528468 /nfs/dbraw/zinc/52/84/68/740528468.db2.gz UEUPRJFLLBRETJ-JTQLQIEISA-N 1 2 372.238 2.988 20 10 FFCDLO O=Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000815835463 741964430 /nfs/dbraw/zinc/96/44/30/741964430.db2.gz URJWAHCUIFAXMG-HNNXBMFYSA-N 1 2 361.829 2.581 20 10 FFCDLO O=Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000815835463 741964433 /nfs/dbraw/zinc/96/44/33/741964433.db2.gz URJWAHCUIFAXMG-HNNXBMFYSA-N 1 2 361.829 2.581 20 10 FFCDLO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Br)c(F)cc1O ZINC000818351599 742266057 /nfs/dbraw/zinc/26/60/57/742266057.db2.gz VCILQDBDJDBNLR-VIFPVBQESA-N 1 2 368.268 2.769 20 10 FFCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000821807152 742665094 /nfs/dbraw/zinc/66/50/94/742665094.db2.gz NUPLAUYUTYVYQT-YGRLFVJLSA-N 1 2 357.332 2.535 20 10 FFCDLO Oc1cc(Br)ccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000824541545 743101587 /nfs/dbraw/zinc/10/15/87/743101587.db2.gz CKUAGMCELHEIMP-UHFFFAOYSA-N 1 2 362.271 2.868 20 10 FFCDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(Br)cc3O)[C@@H]2C1 ZINC000824943906 743182923 /nfs/dbraw/zinc/18/29/23/743182923.db2.gz VYGVYJYGDZPXES-IIAWOOMASA-N 1 2 356.260 2.923 20 10 FFCDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(Br)cc3O)[C@@H]2C1 ZINC000824943906 743182927 /nfs/dbraw/zinc/18/29/27/743182927.db2.gz VYGVYJYGDZPXES-IIAWOOMASA-N 1 2 356.260 2.923 20 10 FFCDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCN1C(=O)c1cscn1 ZINC000835057325 745941419 /nfs/dbraw/zinc/94/14/19/745941419.db2.gz NLKHJAGDCSXFHG-NSHDSACASA-N 1 2 351.859 2.849 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCN1C(=O)c1cscn1 ZINC000835057325 745941422 /nfs/dbraw/zinc/94/14/22/745941422.db2.gz NLKHJAGDCSXFHG-NSHDSACASA-N 1 2 351.859 2.849 20 10 FFCDLO COCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@H](O)C(F)(F)F ZINC000847030731 748601500 /nfs/dbraw/zinc/60/15/00/748601500.db2.gz UKERISINZXCGLK-ZDUSSCGKSA-N 1 2 369.767 2.620 20 10 FFCDLO COCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@H](O)C(F)(F)F ZINC000847030731 748601509 /nfs/dbraw/zinc/60/15/09/748601509.db2.gz UKERISINZXCGLK-ZDUSSCGKSA-N 1 2 369.767 2.620 20 10 FFCDLO COCc1n[nH]c(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000850514667 749378607 /nfs/dbraw/zinc/37/86/07/749378607.db2.gz OYOXTEIDOBPNGC-SECBINFHSA-N 1 2 355.236 2.578 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894753243 965666959 /nfs/dbraw/zinc/66/69/59/965666959.db2.gz RUKOYUBOWXPNJN-LSDHHAIUSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894753243 965666964 /nfs/dbraw/zinc/66/69/64/965666964.db2.gz RUKOYUBOWXPNJN-LSDHHAIUSA-N 1 2 370.396 2.540 20 10 FFCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000046481056 967653017 /nfs/dbraw/zinc/65/30/17/967653017.db2.gz UNCPVKXTEDNZKW-SFHVURJKSA-N 1 2 374.529 2.539 20 10 FFCDLO [NH3+]C[C@H]1CCCC[N@H+](Cc2cccc(I)c2O)C1 ZINC001206640917 1031934999 /nfs/dbraw/zinc/93/49/99/1031934999.db2.gz OVZXRIQIGHTYOQ-LLVKDONJSA-N 1 2 360.239 2.558 20 10 FFCDLO [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(I)c2O)C1 ZINC001206640917 1031935031 /nfs/dbraw/zinc/93/50/31/1031935031.db2.gz OVZXRIQIGHTYOQ-LLVKDONJSA-N 1 2 360.239 2.558 20 10 FFCDLO [NH3+]C[C@H]1CCCC[N@H+](Cc2cccc(I)c2[O-])C1 ZINC001206640917 1031935053 /nfs/dbraw/zinc/93/50/53/1031935053.db2.gz OVZXRIQIGHTYOQ-LLVKDONJSA-N 1 2 360.239 2.558 20 10 FFCDLO [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(I)c2[O-])C1 ZINC001206640917 1031935065 /nfs/dbraw/zinc/93/50/65/1031935065.db2.gz OVZXRIQIGHTYOQ-LLVKDONJSA-N 1 2 360.239 2.558 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877519122 1014609554 /nfs/dbraw/zinc/60/95/54/1014609554.db2.gz IDZIUKMQKJLOIS-ZIAGYGMSSA-N 1 2 370.396 2.540 20 10 FFCDLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877519122 1014609557 /nfs/dbraw/zinc/60/95/57/1014609557.db2.gz IDZIUKMQKJLOIS-ZIAGYGMSSA-N 1 2 370.396 2.540 20 10 FFCDLO C[C@@H]1CN(C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)C[C@H](C)O1 ZINC000072952738 983953491 /nfs/dbraw/zinc/95/34/91/983953491.db2.gz GXJMGJRYMVGRME-IYBDPMFKSA-N 1 2 358.438 2.623 20 10 FFCDLO C[C@@H]1CN(C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)C[C@H](C)O1 ZINC000072952738 983953492 /nfs/dbraw/zinc/95/34/92/983953492.db2.gz GXJMGJRYMVGRME-IYBDPMFKSA-N 1 2 358.438 2.623 20 10 FFCDLO COc1c(C)c[nH+]c(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1C ZINC000761885225 987959622 /nfs/dbraw/zinc/95/96/22/987959622.db2.gz CXCYQYQLODSOHK-UHFFFAOYSA-N 1 2 372.381 2.583 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128327316 1015800948 /nfs/dbraw/zinc/80/09/48/1015800948.db2.gz YTTAZZMQGNCOSO-QGZVFWFLSA-N 1 2 353.470 2.534 20 10 FFCDLO COc1ccc(N2CCN(Cc3[nH+]c4ccccn4c3C)CC2)c(OC)c1 ZINC001137275586 1016063404 /nfs/dbraw/zinc/06/34/04/1016063404.db2.gz CDBZXQZVDTUYRX-UHFFFAOYSA-N 1 2 366.465 2.982 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3nc4ccccn4c3C)CC2)c(OC)c1 ZINC001137275586 1016063411 /nfs/dbraw/zinc/06/34/11/1016063411.db2.gz CDBZXQZVDTUYRX-UHFFFAOYSA-N 1 2 366.465 2.982 20 10 FFCDLO CN1CCCc2cc(CNC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)ccc21 ZINC000128795505 1016113452 /nfs/dbraw/zinc/11/34/52/1016113452.db2.gz ZLGZVHPOKNIARX-GOSISDBHSA-N 1 2 365.481 2.542 20 10 FFCDLO Oc1cc(F)c(Br)cc1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001144306827 998302176 /nfs/dbraw/zinc/30/21/76/998302176.db2.gz RYKGBXGDRXWYMC-UHFFFAOYSA-N 1 2 361.230 2.912 20 10 FFCDLO Oc1cc(O)c(C[N@@H+]2CCc3nc(Br)sc3C2)c(O)c1 ZINC001144508991 998622042 /nfs/dbraw/zinc/62/20/42/998622042.db2.gz GOLUVZIICVZBJU-UHFFFAOYSA-N 1 2 357.229 2.581 20 10 FFCDLO Oc1cc(O)c(C[N@H+]2CCc3nc(Br)sc3C2)c(O)c1 ZINC001144508991 998622051 /nfs/dbraw/zinc/62/20/51/998622051.db2.gz GOLUVZIICVZBJU-UHFFFAOYSA-N 1 2 357.229 2.581 20 10 FFCDLO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407136 1000043920 /nfs/dbraw/zinc/04/39/20/1000043920.db2.gz ZKONYLQRMXPZAO-VBKZILBWSA-N 1 2 372.465 2.656 20 10 FFCDLO CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407136 1000043922 /nfs/dbraw/zinc/04/39/22/1000043922.db2.gz ZKONYLQRMXPZAO-VBKZILBWSA-N 1 2 372.465 2.656 20 10 FFCDLO CCOc1cccc(CN2CC[NH+](CCOc3ccccc3)CC2)c1O ZINC000768194000 1000194375 /nfs/dbraw/zinc/19/43/75/1000194375.db2.gz WZAOWSWUAPXXJW-UHFFFAOYSA-N 1 2 356.466 2.988 20 10 FFCDLO COc1cc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)cc2c1OCO2 ZINC000770302034 1000740801 /nfs/dbraw/zinc/74/08/01/1000740801.db2.gz PEBSYCUBPNOVRG-UHFFFAOYSA-N 1 2 374.412 2.894 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770628812 1000867422 /nfs/dbraw/zinc/86/74/22/1000867422.db2.gz FPRAVHTVTLYNBB-KRWDZBQOSA-N 1 2 355.486 2.884 20 10 FFCDLO Cc1cc(C(=O)C[NH+]2CCC(O)(CO)CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000852499655 1006057282 /nfs/dbraw/zinc/05/72/82/1006057282.db2.gz VKDRTQJBAUVMLW-UHFFFAOYSA-N 1 2 370.493 2.713 20 10 FFCDLO COC(=O)N1CCN(c2ccc(NCc3cc(C)c(C)cc3O)c[nH+]2)CC1 ZINC000815158369 1006524059 /nfs/dbraw/zinc/52/40/59/1006524059.db2.gz LABFHWSTAGNMHB-UHFFFAOYSA-N 1 2 370.453 2.905 20 10 FFCDLO Cc1cc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)[nH+]1 ZINC000817156140 1007442950 /nfs/dbraw/zinc/44/29/50/1007442950.db2.gz GSOACNXSPJIWBS-UHFFFAOYSA-N 1 2 354.454 2.534 20 10 FFCDLO COc1ccc(N2CC[C@H](CNC(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC000819586413 1008183903 /nfs/dbraw/zinc/18/39/03/1008183903.db2.gz PBHNUNKBSSPUPR-OAHLLOKOSA-N 1 2 350.422 2.599 20 10 FFCDLO CC[NH+]1CCN(c2ccc(CNCc3cn4ccccc4n3)cc2F)CC1 ZINC001177698662 1008719837 /nfs/dbraw/zinc/71/98/37/1008719837.db2.gz ZRIRYPKMXAADGT-UHFFFAOYSA-N 1 2 367.472 2.905 20 10 FFCDLO CCOC(=O)C[N@H+](CCOc1ccccc1OC)Cc1ccccc1O ZINC001171391209 1009660781 /nfs/dbraw/zinc/66/07/81/1009660781.db2.gz ZRLYHLQOLVIXOK-UHFFFAOYSA-N 1 2 359.422 2.845 20 10 FFCDLO CCOC(=O)C[N@@H+](CCOc1ccccc1OC)Cc1ccccc1O ZINC001171391209 1009660786 /nfs/dbraw/zinc/66/07/86/1009660786.db2.gz ZRLYHLQOLVIXOK-UHFFFAOYSA-N 1 2 359.422 2.845 20 10 FFCDLO COc1ccc(N2CCC[N@H+](Cn3c4cc(F)ccc4oc3=O)CC2)cc1 ZINC000773293588 1011152981 /nfs/dbraw/zinc/15/29/81/1011152981.db2.gz LOKKGNGCHWHJET-UHFFFAOYSA-N 1 2 371.412 2.912 20 10 FFCDLO COc1ccc(N2CCC[N@@H+](Cn3c4cc(F)ccc4oc3=O)CC2)cc1 ZINC000773293588 1011152984 /nfs/dbraw/zinc/15/29/84/1011152984.db2.gz LOKKGNGCHWHJET-UHFFFAOYSA-N 1 2 371.412 2.912 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000869101570 1011610326 /nfs/dbraw/zinc/61/03/26/1011610326.db2.gz ONDJPEZOWVQWLE-QGZVFWFLSA-N 1 2 362.433 2.848 20 10 FFCDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000800472494 1020340688 /nfs/dbraw/zinc/34/06/88/1020340688.db2.gz QLMGICACVLNLIC-UHFFFAOYSA-N 1 2 355.457 2.875 20 10 FFCDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000800472494 1020340700 /nfs/dbraw/zinc/34/07/00/1020340700.db2.gz QLMGICACVLNLIC-UHFFFAOYSA-N 1 2 355.457 2.875 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCOC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000749841496 1021052008 /nfs/dbraw/zinc/05/20/08/1021052008.db2.gz ZIHJFFLNYPUOFO-KRWDZBQOSA-N 1 2 370.449 2.769 20 10 FFCDLO Cc1cc(C(=O)C[N@H+](C)[C@H]2CCOC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000749841496 1021052012 /nfs/dbraw/zinc/05/20/12/1021052012.db2.gz ZIHJFFLNYPUOFO-KRWDZBQOSA-N 1 2 370.449 2.769 20 10 FFCDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(N(C)C)cc2)nc1 ZINC000934344072 1021203509 /nfs/dbraw/zinc/20/35/09/1021203509.db2.gz GCNVWQMHOISHRG-HXUWFJFHSA-N 1 2 368.481 2.610 20 10 FFCDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(N(C)C)cc2)nc1 ZINC000934344072 1021203517 /nfs/dbraw/zinc/20/35/17/1021203517.db2.gz GCNVWQMHOISHRG-HXUWFJFHSA-N 1 2 368.481 2.610 20 10 FFCDLO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000779203773 1023352951 /nfs/dbraw/zinc/35/29/51/1023352951.db2.gz JUEXSYZZFLAIGG-KSSFIOAISA-N 1 2 360.458 2.671 20 10 FFCDLO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000779203773 1023352958 /nfs/dbraw/zinc/35/29/58/1023352958.db2.gz JUEXSYZZFLAIGG-KSSFIOAISA-N 1 2 360.458 2.671 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392309 1023703774 /nfs/dbraw/zinc/70/37/74/1023703774.db2.gz NJQZXICEZJTHNK-OLZOCXBDSA-N 1 2 358.442 2.909 20 10 FFCDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141142745 1025512629 /nfs/dbraw/zinc/51/26/29/1025512629.db2.gz ZNJMNJWQXFDOQI-HNNXBMFYSA-N 1 2 361.486 2.956 20 10 FFCDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141142745 1025512638 /nfs/dbraw/zinc/51/26/38/1025512638.db2.gz ZNJMNJWQXFDOQI-HNNXBMFYSA-N 1 2 361.486 2.956 20 10 FFCDLO CN1CCOc2cc(C[NH+]3CCN(C(=O)C4CCCCC4)CC3)ccc21 ZINC001141145542 1025521651 /nfs/dbraw/zinc/52/16/51/1025521651.db2.gz VTTKHKSLMYSZMX-UHFFFAOYSA-N 1 2 357.498 2.740 20 10 FFCDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)Cc2ccccc2O1 ZINC000795413896 1026070749 /nfs/dbraw/zinc/07/07/49/1026070749.db2.gz ACTOXETVRXNNMQ-INIZCTEOSA-N 1 2 353.466 2.652 20 10 FFCDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)Cc2ccccc2O1 ZINC000795413896 1026070769 /nfs/dbraw/zinc/07/07/69/1026070769.db2.gz ACTOXETVRXNNMQ-INIZCTEOSA-N 1 2 353.466 2.652 20 10 FFCDLO CCN(C)c1ccc(C[N@@H+]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)cc1 ZINC000839114393 1026594003 /nfs/dbraw/zinc/59/40/03/1026594003.db2.gz GOWIARNTNYWKKT-MRXNPFEDSA-N 1 2 355.486 2.521 20 10 FFCDLO CCN(C)c1ccc(C[N@H+]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)cc1 ZINC000839114393 1026594010 /nfs/dbraw/zinc/59/40/10/1026594010.db2.gz GOWIARNTNYWKKT-MRXNPFEDSA-N 1 2 355.486 2.521 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)Cc2nnn(CC3CC3)c21 ZINC001203671359 1030817759 /nfs/dbraw/zinc/81/77/59/1030817759.db2.gz OZPJQYIYJFIFQI-MRXNPFEDSA-N 1 2 372.469 2.538 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)Cc2nnn(CC3CC3)c21 ZINC001203671359 1030817780 /nfs/dbraw/zinc/81/77/80/1030817780.db2.gz OZPJQYIYJFIFQI-MRXNPFEDSA-N 1 2 372.469 2.538 20 10 FFCDLO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139126014 1034955929 /nfs/dbraw/zinc/95/59/29/1034955929.db2.gz SZJFRPPQQCTNLS-NQIIRXRSSA-N 1 2 373.449 2.825 20 10 FFCDLO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139126014 1034955932 /nfs/dbraw/zinc/95/59/32/1034955932.db2.gz SZJFRPPQQCTNLS-NQIIRXRSSA-N 1 2 373.449 2.825 20 10 FFCDLO CCc1ncnc2c1CC[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)CC2 ZINC001139125894 1034956322 /nfs/dbraw/zinc/95/63/22/1034956322.db2.gz OHHZUTSRUIIDHC-UHFFFAOYSA-N 1 2 365.433 2.760 20 10 FFCDLO CCc1ncnc2c1CC[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)CC2 ZINC001139125894 1034956330 /nfs/dbraw/zinc/95/63/30/1034956330.db2.gz OHHZUTSRUIIDHC-UHFFFAOYSA-N 1 2 365.433 2.760 20 10 FFCDLO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139126015 1034956688 /nfs/dbraw/zinc/95/66/88/1034956688.db2.gz SZJFRPPQQCTNLS-RXVVDRJESA-N 1 2 373.449 2.825 20 10 FFCDLO COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c(O)ccc3c(C)cc(=O)oc31)C2 ZINC001139126015 1034956692 /nfs/dbraw/zinc/95/66/92/1034956692.db2.gz SZJFRPPQQCTNLS-RXVVDRJESA-N 1 2 373.449 2.825 20 10 FFCDLO CCCCN1C[C@@]2(F)C[N@H+](Cc3c(C)cc(C)cc3O)C[C@@]2(F)C1=O ZINC001277204659 1035527540 /nfs/dbraw/zinc/52/75/40/1035527540.db2.gz SNJOYLQCDDBDJF-RBUKOAKNSA-N 1 2 352.425 2.884 20 10 FFCDLO CCCCN1C[C@@]2(F)C[N@@H+](Cc3c(C)cc(C)cc3O)C[C@@]2(F)C1=O ZINC001277204659 1035527548 /nfs/dbraw/zinc/52/75/48/1035527548.db2.gz SNJOYLQCDDBDJF-RBUKOAKNSA-N 1 2 352.425 2.884 20 10 FFCDLO Oc1cc(O)c(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1Cl ZINC001232257356 1035529289 /nfs/dbraw/zinc/52/92/89/1035529289.db2.gz CSPMBIMBORAMBC-DLBZAZTESA-N 1 2 359.857 2.995 20 10 FFCDLO Oc1cc(O)c(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1Cl ZINC001232257356 1035529297 /nfs/dbraw/zinc/52/92/97/1035529297.db2.gz CSPMBIMBORAMBC-DLBZAZTESA-N 1 2 359.857 2.995 20 10 FFCDLO Oc1cc(O)c(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)cc1Cl ZINC001232259755 1035531939 /nfs/dbraw/zinc/53/19/39/1035531939.db2.gz IUNBCVYUSXIEMU-GJZGRUSLSA-N 1 2 359.857 2.710 20 10 FFCDLO O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581066 1035661045 /nfs/dbraw/zinc/66/10/45/1035661045.db2.gz PKNTYUIWSUCKEM-UZLBHIALSA-N 1 2 358.388 2.776 20 10 FFCDLO O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581066 1035661047 /nfs/dbraw/zinc/66/10/47/1035661047.db2.gz PKNTYUIWSUCKEM-UZLBHIALSA-N 1 2 358.388 2.776 20 10 FFCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140583038 1035663387 /nfs/dbraw/zinc/66/33/87/1035663387.db2.gz UPGOFUBWCHXIOJ-TXEJJXNPSA-N 1 2 354.397 2.969 20 10 FFCDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2C1 ZINC001140583038 1035663396 /nfs/dbraw/zinc/66/33/96/1035663396.db2.gz UPGOFUBWCHXIOJ-TXEJJXNPSA-N 1 2 354.397 2.969 20 10 FFCDLO Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H](C)C[NH+](C)C)c1C2=O ZINC001227995035 1035858371 /nfs/dbraw/zinc/85/83/71/1035858371.db2.gz QZLHNVNPRDVAKO-NSHDSACASA-N 1 2 355.390 2.511 20 10 FFCDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)ccn1 ZINC001232777509 1036016879 /nfs/dbraw/zinc/01/68/79/1036016879.db2.gz ZNXPZZDWDAAWNE-UHFFFAOYSA-N 1 2 355.438 2.507 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCN(c3ccc(Cl)cc3)C(=O)C2)c(O)c1 ZINC001232840487 1036097685 /nfs/dbraw/zinc/09/76/85/1036097685.db2.gz BIJYYPCRXUTMHC-UHFFFAOYSA-N 1 2 359.857 2.960 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCN(c3ccc(Cl)cc3)C(=O)C2)c(O)c1 ZINC001232840487 1036097704 /nfs/dbraw/zinc/09/77/04/1036097704.db2.gz BIJYYPCRXUTMHC-UHFFFAOYSA-N 1 2 359.857 2.960 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031334 1036269701 /nfs/dbraw/zinc/26/97/01/1036269701.db2.gz BWKYVDATBRKUIT-ZJUUUORDSA-N 1 2 360.223 2.925 20 10 FFCDLO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233031334 1036269718 /nfs/dbraw/zinc/26/97/18/1036269718.db2.gz BWKYVDATBRKUIT-ZJUUUORDSA-N 1 2 360.223 2.925 20 10 FFCDLO CN1C(=O)CCC12CC[NH+](Cc1c(O)cc(Br)cc1F)CC2 ZINC001233031356 1036272403 /nfs/dbraw/zinc/27/24/03/1036272403.db2.gz AGEMWWSGDCMMMT-UHFFFAOYSA-N 1 2 371.250 2.881 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCOC3(CCOCC3)C2)cc1Br ZINC001233141446 1036393374 /nfs/dbraw/zinc/39/33/74/1036393374.db2.gz JBLXZZVGJVAJIU-UHFFFAOYSA-N 1 2 372.259 2.545 20 10 FFCDLO Cc1ccnc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)n1 ZINC001233419908 1036613638 /nfs/dbraw/zinc/61/36/38/1036613638.db2.gz RECIZYOBFYTEHM-UHFFFAOYSA-N 1 2 352.360 2.832 20 10 FFCDLO Oc1c(F)cc(Br)cc1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001235068021 1037338632 /nfs/dbraw/zinc/33/86/32/1037338632.db2.gz BZSHTRKHHDYTBS-UHFFFAOYSA-N 1 2 361.230 2.912 20 10 FFCDLO O=C1OCCN1C1CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001235302198 1037461913 /nfs/dbraw/zinc/46/19/13/1037461913.db2.gz KECZKVJYLMAPOJ-UHFFFAOYSA-N 1 2 373.222 2.710 20 10 FFCDLO CN(C1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1)[C@H]1CCOC1 ZINC001231469414 1037613584 /nfs/dbraw/zinc/61/35/84/1037613584.db2.gz MVWUJSABWMVQRA-IBGZPJMESA-N 1 2 368.477 2.876 20 10 FFCDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)cc1O ZINC001231638951 1037763366 /nfs/dbraw/zinc/76/33/66/1037763366.db2.gz IWDKQLDFUZHNSI-SFHVURJKSA-N 1 2 351.349 2.958 20 10 FFCDLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)cc1O ZINC001231638951 1037763382 /nfs/dbraw/zinc/76/33/82/1037763382.db2.gz IWDKQLDFUZHNSI-SFHVURJKSA-N 1 2 351.349 2.958 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1O ZINC001231912776 1038007315 /nfs/dbraw/zinc/00/73/15/1038007315.db2.gz ZGVSAZNMNDYFRH-ZIAGYGMSSA-N 1 2 356.850 2.506 20 10 FFCDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1O ZINC001231912776 1038007337 /nfs/dbraw/zinc/00/73/37/1038007337.db2.gz ZGVSAZNMNDYFRH-ZIAGYGMSSA-N 1 2 356.850 2.506 20 10 FFCDLO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc(Cl)c1O ZINC001231914869 1038012483 /nfs/dbraw/zinc/01/24/83/1038012483.db2.gz UAVRSTUQFIVAAF-GOSISDBHSA-N 1 2 374.868 2.905 20 10 FFCDLO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc(Cl)c1O ZINC001231914869 1038012505 /nfs/dbraw/zinc/01/25/05/1038012505.db2.gz UAVRSTUQFIVAAF-GOSISDBHSA-N 1 2 374.868 2.905 20 10 FFCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(Br)c2)C[C@@H]1F ZINC001237090127 1038440691 /nfs/dbraw/zinc/44/06/91/1038440691.db2.gz MXMKOGCBXPWRGO-CJNGLKHVSA-N 1 2 370.310 2.991 20 10 FFCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(Br)c2)C[C@@H]1F ZINC001237090127 1038440697 /nfs/dbraw/zinc/44/06/97/1038440697.db2.gz MXMKOGCBXPWRGO-CJNGLKHVSA-N 1 2 370.310 2.991 20 10 FFCDLO c1cc(Nc2ccc3c(c2)OCCN3)cc(OCC[NH+]2CCOCC2)c1 ZINC001209766255 1039202017 /nfs/dbraw/zinc/20/20/17/1039202017.db2.gz LCDBPSGLAQFCDZ-UHFFFAOYSA-N 1 2 355.438 2.946 20 10 FFCDLO COc1ccc(C[NH+]2CC3(CCC3)C2)c(O)c1I ZINC001248482189 1040298136 /nfs/dbraw/zinc/29/81/36/1040298136.db2.gz UJBYTBONIBWECJ-UHFFFAOYSA-N 1 2 359.207 2.991 20 10 FFCDLO COc1cc(-c2[nH]c3cc(F)c(N4CCOCC4)cc3[nH+]2)cc(O)c1O ZINC001250488415 1041224288 /nfs/dbraw/zinc/22/42/88/1041224288.db2.gz HCFVSOGERSZHSC-UHFFFAOYSA-N 1 2 359.357 2.625 20 10 FFCDLO COC1(CC(=O)N2CCC3(C[NH+](Cc4c(O)cccc4F)C3)C2)CCC1 ZINC001279421809 1043093824 /nfs/dbraw/zinc/09/38/24/1043093824.db2.gz PHQVBBHGQZHJQJ-UHFFFAOYSA-N 1 2 362.445 2.525 20 10 FFCDLO CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC001279443145 1043118594 /nfs/dbraw/zinc/11/85/94/1043118594.db2.gz ZFLHXJCVSFLARH-WMLDXEAASA-N 1 2 360.889 2.968 20 10 FFCDLO CCn1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC001279443145 1043118602 /nfs/dbraw/zinc/11/86/02/1043118602.db2.gz ZFLHXJCVSFLARH-WMLDXEAASA-N 1 2 360.889 2.968 20 10 FFCDLO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(Cl)c2O)n(C)n1 ZINC001279442753 1043119284 /nfs/dbraw/zinc/11/92/84/1043119284.db2.gz UNACLYSWHUAYMX-IYBDPMFKSA-N 1 2 360.889 2.936 20 10 FFCDLO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(Cl)c2O)n(C)n1 ZINC001279442753 1043119288 /nfs/dbraw/zinc/11/92/88/1043119288.db2.gz UNACLYSWHUAYMX-IYBDPMFKSA-N 1 2 360.889 2.936 20 10 FFCDLO OC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@@H+]1Cc1ccccc1 ZINC001237620073 1043278057 /nfs/dbraw/zinc/27/80/57/1043278057.db2.gz SQYVIWNFAXGJEH-KRWDZBQOSA-N 1 2 364.848 2.863 20 10 FFCDLO OC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@H+]1Cc1ccccc1 ZINC001237620073 1043278067 /nfs/dbraw/zinc/27/80/67/1043278067.db2.gz SQYVIWNFAXGJEH-KRWDZBQOSA-N 1 2 364.848 2.863 20 10 FFCDLO CCOC(=O)CC[N@H+](CC(=O)OCC)Cc1cc(Cl)cc(C)c1O ZINC001237685503 1043310942 /nfs/dbraw/zinc/31/09/42/1043310942.db2.gz DILKSNXPFAIPBW-UHFFFAOYSA-N 1 2 357.834 2.672 20 10 FFCDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)Cc1cc(Cl)cc(C)c1O ZINC001237685503 1043310946 /nfs/dbraw/zinc/31/09/46/1043310946.db2.gz DILKSNXPFAIPBW-UHFFFAOYSA-N 1 2 357.834 2.672 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c(O)c1Cl ZINC001279666530 1043432117 /nfs/dbraw/zinc/43/21/17/1043432117.db2.gz CVBADWBWSABAQS-KBPBESRZSA-N 1 2 367.877 2.821 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c(O)c1Cl ZINC001279666530 1043432124 /nfs/dbraw/zinc/43/21/24/1043432124.db2.gz CVBADWBWSABAQS-KBPBESRZSA-N 1 2 367.877 2.821 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H](O)C1 ZINC001237935287 1043441704 /nfs/dbraw/zinc/44/17/04/1043441704.db2.gz UTWJKGBIEZESAM-GFCCVEGCSA-N 1 2 374.840 2.598 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H](O)C1 ZINC001237935287 1043441714 /nfs/dbraw/zinc/44/17/14/1043441714.db2.gz UTWJKGBIEZESAM-GFCCVEGCSA-N 1 2 374.840 2.598 20 10 FFCDLO O=C(Nc1ccc(O)cc1O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001280006777 1044077331 /nfs/dbraw/zinc/07/73/31/1044077331.db2.gz POIYAVHJWYBTKT-JEOXALJRSA-N 1 2 358.369 2.546 20 10 FFCDLO O=C(Nc1ccc(O)cc1O)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001280006777 1044077341 /nfs/dbraw/zinc/07/73/41/1044077341.db2.gz POIYAVHJWYBTKT-JEOXALJRSA-N 1 2 358.369 2.546 20 10 FFCDLO OC[C@@H](C[NH2+]Cc1cccc(Br)c1O)CC1CCOCC1 ZINC001320889061 1045489092 /nfs/dbraw/zinc/48/90/92/1045489092.db2.gz SKSSGOZYSQSJBP-CYBMUJFWSA-N 1 2 358.276 2.670 20 10 FFCDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000848951139 1055426394 /nfs/dbraw/zinc/42/63/94/1055426394.db2.gz OJEMFUDBFSXRRD-NRFANRHFSA-N 1 2 365.477 2.505 20 10 FFCDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000848951139 1055426397 /nfs/dbraw/zinc/42/63/97/1055426397.db2.gz OJEMFUDBFSXRRD-NRFANRHFSA-N 1 2 365.477 2.505 20 10 FFCDLO C[C@H](C(=O)N[C@@H](C)c1ccccc1O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001471195540 1064597338 /nfs/dbraw/zinc/59/73/38/1064597338.db2.gz ZEHOEXRNLYQEGI-JKSUJKDBSA-N 1 2 371.456 2.919 20 10 FFCDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3cc(O)ccc3O)cn2c1 ZINC001471660811 1064748751 /nfs/dbraw/zinc/74/87/51/1064748751.db2.gz AGICTTXMFZDZHA-UHFFFAOYSA-N 1 2 357.435 2.604 20 10 FFCDLO COc1cc(C)c(C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c(O)c1 ZINC001474351926 1065499872 /nfs/dbraw/zinc/49/98/72/1065499872.db2.gz OMLZGJXEOMJXRT-UHFFFAOYSA-N 1 2 358.413 2.693 20 10 FFCDLO COc1cc(C)c(C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c(O)c1 ZINC001474351926 1065499874 /nfs/dbraw/zinc/49/98/74/1065499874.db2.gz OMLZGJXEOMJXRT-UHFFFAOYSA-N 1 2 358.413 2.693 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[N@H+](Cc1cc(F)ccc1O)CCO2 ZINC001561057782 1076326381 /nfs/dbraw/zinc/32/63/81/1076326381.db2.gz XOZIWJRYZVNHOE-IBGZPJMESA-N 1 2 366.433 2.743 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1cc(F)ccc1O)CCO2 ZINC001561057782 1076326388 /nfs/dbraw/zinc/32/63/88/1076326388.db2.gz XOZIWJRYZVNHOE-IBGZPJMESA-N 1 2 366.433 2.743 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589962602 1080906259 /nfs/dbraw/zinc/90/62/59/1080906259.db2.gz HRMNHKHMAMOYHL-LSDHHAIUSA-N 1 2 364.453 2.749 20 10 FFCDLO O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106543226 508402086 /nfs/dbraw/zinc/40/20/86/508402086.db2.gz BCFFPZFJIBHYTP-GOSISDBHSA-N 1 2 369.469 2.683 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000157030904 508513229 /nfs/dbraw/zinc/51/32/29/508513229.db2.gz KVJMLIBYJNKFHP-MRXNPFEDSA-N 1 2 354.491 2.823 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000157030904 508513231 /nfs/dbraw/zinc/51/32/31/508513231.db2.gz KVJMLIBYJNKFHP-MRXNPFEDSA-N 1 2 354.491 2.823 20 10 FFCDLO CN1CCCc2cc(CNc3[nH+]cnc4c3cnn4-c3ncccn3)ccc21 ZINC000119167204 508739739 /nfs/dbraw/zinc/73/97/39/508739739.db2.gz KUOCSQFLXUHGEB-UHFFFAOYSA-N 1 2 372.436 2.600 20 10 FFCDLO Nc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000168590743 509648806 /nfs/dbraw/zinc/64/88/06/509648806.db2.gz ZYULACBEKDYYOZ-MRXNPFEDSA-N 1 2 359.420 2.870 20 10 FFCDLO Nc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000168590743 509648810 /nfs/dbraw/zinc/64/88/10/509648810.db2.gz ZYULACBEKDYYOZ-MRXNPFEDSA-N 1 2 359.420 2.870 20 10 FFCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193373909 509885530 /nfs/dbraw/zinc/88/55/30/509885530.db2.gz HIGCCKVKEYLHMC-HXUWFJFHSA-N 1 2 357.498 2.546 20 10 FFCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193373909 509885534 /nfs/dbraw/zinc/88/55/34/509885534.db2.gz HIGCCKVKEYLHMC-HXUWFJFHSA-N 1 2 357.498 2.546 20 10 FFCDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C(=O)OC)C1 ZINC000180832268 510134424 /nfs/dbraw/zinc/13/44/24/510134424.db2.gz IQEVSPRSZJTANT-MJGOQNOKSA-N 1 2 374.481 2.604 20 10 FFCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C(=O)OC)C1 ZINC000180832268 510134429 /nfs/dbraw/zinc/13/44/29/510134429.db2.gz IQEVSPRSZJTANT-MJGOQNOKSA-N 1 2 374.481 2.604 20 10 FFCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000184678229 510456690 /nfs/dbraw/zinc/45/66/90/510456690.db2.gz NJQGKYZZNBLOJM-HNNXBMFYSA-N 1 2 364.829 2.928 20 10 FFCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000184678229 510456697 /nfs/dbraw/zinc/45/66/97/510456697.db2.gz NJQGKYZZNBLOJM-HNNXBMFYSA-N 1 2 364.829 2.928 20 10 FFCDLO CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cccc(Cl)c1O ZINC000287592333 511053167 /nfs/dbraw/zinc/05/31/67/511053167.db2.gz ICUFSDJINLTEOV-FZMZJTMJSA-N 1 2 350.850 2.839 20 10 FFCDLO COc1cc(O)c(C[N@H+](C)Cc2nccn2CC(F)(F)F)cc1OC ZINC000271107435 511084799 /nfs/dbraw/zinc/08/47/99/511084799.db2.gz SIESWUWYGGZHDV-UHFFFAOYSA-N 1 2 359.348 2.800 20 10 FFCDLO COc1cc(O)c(C[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1OC ZINC000271107435 511084806 /nfs/dbraw/zinc/08/48/06/511084806.db2.gz SIESWUWYGGZHDV-UHFFFAOYSA-N 1 2 359.348 2.800 20 10 FFCDLO Clc1ccc(C2=CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000365031962 511217287 /nfs/dbraw/zinc/21/72/87/511217287.db2.gz ZGHAYCHPPJBEIL-UHFFFAOYSA-N 1 2 357.845 2.655 20 10 FFCDLO Clc1ccc(C2=CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000365031962 511217292 /nfs/dbraw/zinc/21/72/92/511217292.db2.gz ZGHAYCHPPJBEIL-UHFFFAOYSA-N 1 2 357.845 2.655 20 10 FFCDLO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273477873 511527970 /nfs/dbraw/zinc/52/79/70/511527970.db2.gz LHYKOBMEPLUSNB-LBPRGKRZSA-N 1 2 359.382 2.988 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000293361366 511937387 /nfs/dbraw/zinc/93/73/87/511937387.db2.gz OJEMOFNAXYDAIY-GFCCVEGCSA-N 1 2 359.875 2.505 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000293361366 511937392 /nfs/dbraw/zinc/93/73/92/511937392.db2.gz OJEMOFNAXYDAIY-GFCCVEGCSA-N 1 2 359.875 2.505 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1O ZINC000528726720 516650912 /nfs/dbraw/zinc/65/09/12/516650912.db2.gz BEJDSEHXOLWFCQ-UHFFFAOYSA-N 1 2 366.889 2.935 20 10 FFCDLO CC(=O)c1cc(Cl)cc(CN2CCC(C)([NH+]3CCOCC3)CC2)c1O ZINC000528726720 516650924 /nfs/dbraw/zinc/65/09/24/516650924.db2.gz BEJDSEHXOLWFCQ-UHFFFAOYSA-N 1 2 366.889 2.935 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(Br)cc(Cl)c1O ZINC000527958384 518011767 /nfs/dbraw/zinc/01/17/67/518011767.db2.gz VPUJVFOIYLXJTQ-CKLFPEKLSA-N 1 2 364.667 2.999 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000819834020 606184685 /nfs/dbraw/zinc/18/46/85/606184685.db2.gz KZTJTPZPCBCZAO-UHFFFAOYSA-N 1 2 355.373 2.546 20 10 FFCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000819834020 606184688 /nfs/dbraw/zinc/18/46/88/606184688.db2.gz KZTJTPZPCBCZAO-UHFFFAOYSA-N 1 2 355.373 2.546 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511193 608854634 /nfs/dbraw/zinc/85/46/34/608854634.db2.gz GLWXTMSXJKVMSK-QGZVFWFLSA-N 1 2 371.828 2.799 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511193 608854637 /nfs/dbraw/zinc/85/46/37/608854637.db2.gz GLWXTMSXJKVMSK-QGZVFWFLSA-N 1 2 371.828 2.799 20 10 FFCDLO CC(C)C(=O)N1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000123579179 728660236 /nfs/dbraw/zinc/66/02/36/728660236.db2.gz VLGVFUYHLUQBEY-UHFFFAOYSA-N 1 2 355.276 2.845 20 10 FFCDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000123579179 728660237 /nfs/dbraw/zinc/66/02/37/728660237.db2.gz VLGVFUYHLUQBEY-UHFFFAOYSA-N 1 2 355.276 2.845 20 10 FFCDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779028340 738430945 /nfs/dbraw/zinc/43/09/45/738430945.db2.gz HFFXNQPYMBQTGY-BLLLJJGKSA-N 1 2 354.422 2.645 20 10 FFCDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779028340 738430946 /nfs/dbraw/zinc/43/09/46/738430946.db2.gz HFFXNQPYMBQTGY-BLLLJJGKSA-N 1 2 354.422 2.645 20 10 FFCDLO CC[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cccc(Cl)c1O ZINC000858465914 730426515 /nfs/dbraw/zinc/42/65/15/730426515.db2.gz QGRITCHIIRMCOK-LPHOPBHVSA-N 1 2 368.905 2.702 20 10 FFCDLO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(Br)cc(Cl)c1O ZINC000866497849 731067464 /nfs/dbraw/zinc/06/74/64/731067464.db2.gz MYFDKXGTTWHUHL-UPZJHPNMSA-N 1 2 350.640 2.609 20 10 FFCDLO CC(=O)NCC1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000877479818 732369942 /nfs/dbraw/zinc/36/99/42/732369942.db2.gz YLVLUACVYNMIFG-UHFFFAOYSA-N 1 2 355.276 2.939 20 10 FFCDLO COC(=O)c1cc(C2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)no1 ZINC000877704433 732417045 /nfs/dbraw/zinc/41/70/45/732417045.db2.gz ORRCJGVLRZCSRO-UHFFFAOYSA-N 1 2 352.337 2.825 20 10 FFCDLO Cc1cc(O)c(C[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)c(Cl)c1 ZINC000877761891 732425081 /nfs/dbraw/zinc/42/50/81/732425081.db2.gz SJTHWRMNZRSFOT-UHFFFAOYSA-N 1 2 366.870 2.560 20 10 FFCDLO Cc1cc(O)c(C[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)c(Cl)c1 ZINC000877761891 732425084 /nfs/dbraw/zinc/42/50/84/732425084.db2.gz SJTHWRMNZRSFOT-UHFFFAOYSA-N 1 2 366.870 2.560 20 10 FFCDLO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883113652 733336299 /nfs/dbraw/zinc/33/62/99/733336299.db2.gz ZKCCNAPMPXXPMI-DGCLKSJQSA-N 1 2 364.255 2.541 20 10 FFCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@H]1CCCOC1 ZINC000883146442 733342331 /nfs/dbraw/zinc/34/23/31/733342331.db2.gz NDKJNXQUYDEYSQ-TVQRCGJNSA-N 1 2 364.667 2.685 20 10 FFCDLO CO[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)[C@H]1CCOC1 ZINC000883164363 733344935 /nfs/dbraw/zinc/34/49/35/733344935.db2.gz CJQPTWPBYYMVEW-TVQRCGJNSA-N 1 2 364.667 2.949 20 10 FFCDLO c1csc(CN(CC[NH+]2CCOCC2)c2ccc3c(c2)OCCO3)c1 ZINC000782722320 738751529 /nfs/dbraw/zinc/75/15/29/738751529.db2.gz IKZDEFAOLNZFHB-UHFFFAOYSA-N 1 2 360.479 2.858 20 10 FFCDLO C[NH+](C)Cc1csc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000927763649 738779429 /nfs/dbraw/zinc/77/94/29/738779429.db2.gz IATMUGZEIJBCQM-UHFFFAOYSA-N 1 2 363.464 2.761 20 10 FFCDLO OCC[N@@H+](Cc1cc(Br)cc(F)c1O)C1CCSCC1 ZINC000894930150 734938485 /nfs/dbraw/zinc/93/84/85/734938485.db2.gz XXTUEIKEZKFRTQ-UHFFFAOYSA-N 1 2 364.280 2.984 20 10 FFCDLO OCC[N@H+](Cc1cc(Br)cc(F)c1O)C1CCSCC1 ZINC000894930150 734938482 /nfs/dbraw/zinc/93/84/82/734938482.db2.gz XXTUEIKEZKFRTQ-UHFFFAOYSA-N 1 2 364.280 2.984 20 10 FFCDLO C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)cc(Cl)c1O ZINC000756434441 736330716 /nfs/dbraw/zinc/33/07/16/736330716.db2.gz NNSHRCCTMWFCKS-WCBMZHEXSA-N 1 2 350.640 2.874 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc(Br)cc(F)c1O ZINC000756732002 736356334 /nfs/dbraw/zinc/35/63/34/736356334.db2.gz KLWDBPUTDJABSH-CITXGKJTSA-N 1 2 371.250 2.954 20 10 FFCDLO C[N@H+](CC(=O)NCc1cccs1)Cc1cccc(Br)c1O ZINC000769429173 737529140 /nfs/dbraw/zinc/52/91/40/737529140.db2.gz VMYXORIUEYRPLO-UHFFFAOYSA-N 1 2 369.284 2.964 20 10 FFCDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1cccc(Br)c1O ZINC000769429173 737529145 /nfs/dbraw/zinc/52/91/45/737529145.db2.gz VMYXORIUEYRPLO-UHFFFAOYSA-N 1 2 369.284 2.964 20 10 FFCDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775878337 738134985 /nfs/dbraw/zinc/13/49/85/738134985.db2.gz AQXDNHZROVYOTA-GJZGRUSLSA-N 1 2 369.845 2.791 20 10 FFCDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775878337 738134988 /nfs/dbraw/zinc/13/49/88/738134988.db2.gz AQXDNHZROVYOTA-GJZGRUSLSA-N 1 2 369.845 2.791 20 10 FFCDLO COC(=O)CCCN1C(=O)/C(=C/c2cc(OC)cc(C)[nH+]2)SC1=S ZINC000776727244 738226113 /nfs/dbraw/zinc/22/61/13/738226113.db2.gz TZWAJCGGYFUJOH-LCYFTJDESA-N 1 2 366.464 2.553 20 10 FFCDLO Oc1cccc(Br)c1C[NH2+]C1(c2ncccn2)CCOCC1 ZINC000923011205 738230194 /nfs/dbraw/zinc/23/01/94/738230194.db2.gz MLIQWMKILNDXNB-UHFFFAOYSA-N 1 2 364.243 2.740 20 10 FFCDLO COc1cc(Br)cc(C[NH2+]C(C)(C)c2nc(C)no2)c1O ZINC000790622751 739476499 /nfs/dbraw/zinc/47/64/99/739476499.db2.gz OGOLNKFVIMGUDK-UHFFFAOYSA-N 1 2 356.220 2.880 20 10 FFCDLO COC[C@@]1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CCC[NH2+]1 ZINC000817974447 742226081 /nfs/dbraw/zinc/22/60/81/742226081.db2.gz MBACCRXFLANAKX-BMIGLBTASA-N 1 2 361.255 2.713 20 10 FFCDLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824556235 743104465 /nfs/dbraw/zinc/10/44/65/743104465.db2.gz NCTLNQQVGRGAOR-UHFFFAOYSA-N 1 2 367.921 2.730 20 10 FFCDLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824556235 743104471 /nfs/dbraw/zinc/10/44/71/743104471.db2.gz NCTLNQQVGRGAOR-UHFFFAOYSA-N 1 2 367.921 2.730 20 10 FFCDLO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000825045612 743200471 /nfs/dbraw/zinc/20/04/71/743200471.db2.gz IBJNMEQJLWDUKA-SWLSCSKDSA-N 1 2 366.259 2.898 20 10 FFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nn(C)cc2Br)c1 ZINC000834884868 745918763 /nfs/dbraw/zinc/91/87/63/745918763.db2.gz PZXDUOTWIFRJOP-SECBINFHSA-N 1 2 368.231 2.526 20 10 FFCDLO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000839676453 746889835 /nfs/dbraw/zinc/88/98/35/746889835.db2.gz LBZFNIVRFOLCSA-GFCCVEGCSA-N 1 2 357.859 2.586 20 10 FFCDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000839676453 746889841 /nfs/dbraw/zinc/88/98/41/746889841.db2.gz LBZFNIVRFOLCSA-GFCCVEGCSA-N 1 2 357.859 2.586 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+]3CCC[C@@H](O)C3)c2C)cc1 ZINC000066862979 972528892 /nfs/dbraw/zinc/52/88/92/972528892.db2.gz QFZZMLGWALWVHF-GOSISDBHSA-N 1 2 370.449 2.520 20 10 FFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+]3CCC[C@@H](O)C3)c2C)cc1 ZINC000066862979 972528904 /nfs/dbraw/zinc/52/89/04/972528904.db2.gz QFZZMLGWALWVHF-GOSISDBHSA-N 1 2 370.449 2.520 20 10 FFCDLO CC[C@@H](CO)Nc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc[nH+]1 ZINC000891662391 964762323 /nfs/dbraw/zinc/76/23/23/964762323.db2.gz NEVAKRRVVAYSNC-HNNXBMFYSA-N 1 2 364.453 2.829 20 10 FFCDLO CC[C@@H](CO)Nc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)[nH+]cn1 ZINC000891662391 964762332 /nfs/dbraw/zinc/76/23/32/964762332.db2.gz NEVAKRRVVAYSNC-HNNXBMFYSA-N 1 2 364.453 2.829 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CCCO1 ZINC000894970464 967131950 /nfs/dbraw/zinc/13/19/50/967131950.db2.gz YXDPBBJSETWTDD-AWEZNQCLSA-N 1 2 372.412 2.786 20 10 FFCDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CCCO1 ZINC000894970464 967131958 /nfs/dbraw/zinc/13/19/58/967131958.db2.gz YXDPBBJSETWTDD-AWEZNQCLSA-N 1 2 372.412 2.786 20 10 FFCDLO C[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1O ZINC000874996904 1013943217 /nfs/dbraw/zinc/94/32/17/1013943217.db2.gz JDKACZKSCSXOAR-AEFFLSMTSA-N 1 2 369.465 2.653 20 10 FFCDLO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1O ZINC000874996904 1013943218 /nfs/dbraw/zinc/94/32/18/1013943218.db2.gz JDKACZKSCSXOAR-AEFFLSMTSA-N 1 2 369.465 2.653 20 10 FFCDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(F)cc(F)c1O ZINC000895415705 970598718 /nfs/dbraw/zinc/59/87/18/970598718.db2.gz XFZDGNRDNDLSCE-UHFFFAOYSA-N 1 2 364.348 2.512 20 10 FFCDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(F)cc(F)c1O ZINC000895415705 970598722 /nfs/dbraw/zinc/59/87/22/970598722.db2.gz XFZDGNRDNDLSCE-UHFFFAOYSA-N 1 2 364.348 2.512 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)NCCc2c[nH+]cn2C)CCCC1 ZINC000651703258 973587477 /nfs/dbraw/zinc/58/74/77/973587477.db2.gz SOTUOUBREOXTIK-UHFFFAOYSA-N 1 2 366.465 2.621 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)c2C)cc1 ZINC000729384626 978269640 /nfs/dbraw/zinc/26/96/40/978269640.db2.gz AMKRBOAJIITXHG-INIZCTEOSA-N 1 2 371.481 2.553 20 10 FFCDLO COc1ccc(-n2c(C)cc(C(=O)NCC[N@H+]3CCOC[C@@H]3C)c2C)cc1 ZINC000729384626 978269648 /nfs/dbraw/zinc/26/96/48/978269648.db2.gz AMKRBOAJIITXHG-INIZCTEOSA-N 1 2 371.481 2.553 20 10 FFCDLO CO[C@H]1C[C@H]2C[N@H+](Cc3ccc(F)c(F)c3O)Cc3cccnc3N2C1 ZINC000877690777 1014684153 /nfs/dbraw/zinc/68/41/53/1014684153.db2.gz HJULJWJMMHBNFN-GJZGRUSLSA-N 1 2 361.392 2.675 20 10 FFCDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3O)Cc3cccnc3N2C1 ZINC000877690777 1014684156 /nfs/dbraw/zinc/68/41/56/1014684156.db2.gz HJULJWJMMHBNFN-GJZGRUSLSA-N 1 2 361.392 2.675 20 10 FFCDLO Nc1ccc(CCNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000841959750 982467979 /nfs/dbraw/zinc/46/79/79/982467979.db2.gz QIKJSGJSSZZSPB-QGZVFWFLSA-N 1 2 367.497 2.933 20 10 FFCDLO COC(=O)[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000917158856 990160561 /nfs/dbraw/zinc/16/05/61/990160561.db2.gz YOFHPOHQKJXNLO-HNNXBMFYSA-N 1 2 358.413 2.911 20 10 FFCDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000917158856 990160564 /nfs/dbraw/zinc/16/05/64/990160564.db2.gz YOFHPOHQKJXNLO-HNNXBMFYSA-N 1 2 358.413 2.911 20 10 FFCDLO Nc1ccc(Cc2nc(C(=O)N3CCC(n4cc[nH+]c4)CC3)cs2)cc1 ZINC000827995862 990470483 /nfs/dbraw/zinc/47/04/83/990470483.db2.gz IVFOIIPRSJZHHG-UHFFFAOYSA-N 1 2 367.478 2.990 20 10 FFCDLO Cc1nc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)c(C)c(C)[nH+]1 ZINC001089864972 992661487 /nfs/dbraw/zinc/66/14/87/992661487.db2.gz IHEVAYCCCQYRPE-QRVBRYPASA-N 1 2 370.497 2.612 20 10 FFCDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824231606 996848327 /nfs/dbraw/zinc/84/83/27/996848327.db2.gz PNIQOXBDPZZGBF-RTBURBONSA-N 1 2 374.506 2.883 20 10 FFCDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824231606 996848338 /nfs/dbraw/zinc/84/83/38/996848338.db2.gz PNIQOXBDPZZGBF-RTBURBONSA-N 1 2 374.506 2.883 20 10 FFCDLO COc1ccc(N(C)CC[N@H+](C)CC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000844400662 997862371 /nfs/dbraw/zinc/86/23/71/997862371.db2.gz FTAOOLMIDWJREA-UHFFFAOYSA-N 1 2 369.465 2.905 20 10 FFCDLO COc1ccc(N(C)CC[N@@H+](C)CC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000844400662 997862388 /nfs/dbraw/zinc/86/23/88/997862388.db2.gz FTAOOLMIDWJREA-UHFFFAOYSA-N 1 2 369.465 2.905 20 10 FFCDLO COc1ccc(N(C)CCN(C)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000844887480 998201070 /nfs/dbraw/zinc/20/10/70/998201070.db2.gz WODUGACXVZOEMH-UHFFFAOYSA-N 1 2 371.485 2.670 20 10 FFCDLO COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000740750598 999682604 /nfs/dbraw/zinc/68/26/04/999682604.db2.gz JWMIKONVSWWHLY-HNNXBMFYSA-N 1 2 370.449 2.724 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000741242708 999715430 /nfs/dbraw/zinc/71/54/30/999715430.db2.gz RIIBKCVEFRXPNK-SFHVURJKSA-N 1 2 359.422 2.781 20 10 FFCDLO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NC[C@H]1COCCN1C)N=[N+]=[N-] ZINC001169652264 1000066129 /nfs/dbraw/zinc/06/61/29/1000066129.db2.gz XTVLERCTODWKIK-HVVQPJKBSA-N 1 2 374.445 2.655 20 10 FFCDLO CCOc1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)c(O)c1 ZINC000768194015 1000194239 /nfs/dbraw/zinc/19/42/39/1000194239.db2.gz XHHXVMLXQWTFQT-UHFFFAOYSA-N 1 2 356.466 2.988 20 10 FFCDLO COc1cccc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1O ZINC000846165223 1000213796 /nfs/dbraw/zinc/21/37/96/1000213796.db2.gz UICKRRYKZDBQCK-ZDUSSCGKSA-N 1 2 354.410 2.949 20 10 FFCDLO CCOC1CC(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)(N2CCOCC2)C1 ZINC000774475469 1001925322 /nfs/dbraw/zinc/92/53/22/1001925322.db2.gz JLPSMTATROIUCL-XIWWETDGSA-N 1 2 370.440 2.591 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CCCC[C@H](C)C3)cc12 ZINC001184356706 1002565389 /nfs/dbraw/zinc/56/53/89/1002565389.db2.gz LRAKDDNXOXDUGY-AWEZNQCLSA-N 1 2 372.465 2.887 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CCCC[C@H](C)C3)cc12 ZINC001184356706 1002565397 /nfs/dbraw/zinc/56/53/97/1002565397.db2.gz LRAKDDNXOXDUGY-AWEZNQCLSA-N 1 2 372.465 2.887 20 10 FFCDLO COc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c(O)c1 ZINC000794388527 1003623930 /nfs/dbraw/zinc/62/39/30/1003623930.db2.gz WEJWHEXYFHJNKC-IBGZPJMESA-N 1 2 372.490 2.807 20 10 FFCDLO COc1cc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850339354 1005808708 /nfs/dbraw/zinc/80/87/08/1005808708.db2.gz QAPIQANHIWKIPK-HNNXBMFYSA-N 1 2 360.458 2.958 20 10 FFCDLO COc1ccc(N2CC[C@H]([NH2+][C@@H](c3cnn[nH]3)c3ccc(F)cc3)C2)cc1 ZINC000850489746 1005818632 /nfs/dbraw/zinc/81/86/32/1005818632.db2.gz WSEFWXVDLZKGAE-OXJNMPFZSA-N 1 2 367.428 2.910 20 10 FFCDLO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775253928 1007091340 /nfs/dbraw/zinc/09/13/40/1007091340.db2.gz CMSNMFIJIKPCLM-HUUCEWRRSA-N 1 2 360.458 2.855 20 10 FFCDLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000857069001 1008051178 /nfs/dbraw/zinc/05/11/78/1008051178.db2.gz LCVZJJJBGHQVPK-UHFFFAOYSA-N 1 2 361.398 2.961 20 10 FFCDLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000857069001 1008051187 /nfs/dbraw/zinc/05/11/87/1008051187.db2.gz LCVZJJJBGHQVPK-UHFFFAOYSA-N 1 2 361.398 2.961 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000821066415 1008412022 /nfs/dbraw/zinc/41/20/22/1008412022.db2.gz YAEQMKHZPQPOBP-AUUYWEPGSA-N 1 2 370.449 2.861 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000821066415 1008412025 /nfs/dbraw/zinc/41/20/25/1008412025.db2.gz YAEQMKHZPQPOBP-AUUYWEPGSA-N 1 2 370.449 2.861 20 10 FFCDLO COc1ccc(N2CC[C@@H](NC(=O)Nc3ccn4cc[nH+]c4c3)C2)cc1 ZINC000823123995 1008928515 /nfs/dbraw/zinc/92/85/15/1008928515.db2.gz CADSDBHBWCOEHW-OAHLLOKOSA-N 1 2 351.410 2.743 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000860980179 1009220848 /nfs/dbraw/zinc/22/08/48/1009220848.db2.gz OFGYTHVMYKHWPM-GOSISDBHSA-N 1 2 362.433 2.848 20 10 FFCDLO CC[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000773876722 1009841532 /nfs/dbraw/zinc/84/15/32/1009841532.db2.gz BMLCYIKHJVSCPV-RBUKOAKNSA-N 1 2 359.514 2.575 20 10 FFCDLO CC[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[N@H+]1CCO[C@@H](CC)C1 ZINC000773876722 1009841544 /nfs/dbraw/zinc/84/15/44/1009841544.db2.gz BMLCYIKHJVSCPV-RBUKOAKNSA-N 1 2 359.514 2.575 20 10 FFCDLO Cc1cc(C)c(-c2noc(-c3ccc(O)c(C[NH+]4CCOCC4)c3)n2)cn1 ZINC001217057014 1032599272 /nfs/dbraw/zinc/59/92/72/1032599272.db2.gz ZMYYOOCEVIVNJT-UHFFFAOYSA-N 1 2 366.421 2.953 20 10 FFCDLO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229507 1012108633 /nfs/dbraw/zinc/10/86/33/1012108633.db2.gz MTEXHHGSJTUUTE-BLVKFPJESA-N 1 2 366.408 2.810 20 10 FFCDLO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001275229507 1012108639 /nfs/dbraw/zinc/10/86/39/1012108639.db2.gz MTEXHHGSJTUUTE-BLVKFPJESA-N 1 2 366.408 2.810 20 10 FFCDLO O=C1N(CC(F)(F)F)CC[C@]12CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001275229750 1012111389 /nfs/dbraw/zinc/11/13/89/1012111389.db2.gz PRIAFBQTZANLCX-HNNXBMFYSA-N 1 2 364.314 2.657 20 10 FFCDLO O=C1N(CC(F)(F)F)CC[C@]12CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001275229750 1012111401 /nfs/dbraw/zinc/11/14/01/1012111401.db2.gz PRIAFBQTZANLCX-HNNXBMFYSA-N 1 2 364.314 2.657 20 10 FFCDLO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000777511529 1017236688 /nfs/dbraw/zinc/23/66/88/1017236688.db2.gz YDKJTPTYZBGNBE-GOSISDBHSA-N 1 2 367.497 2.934 20 10 FFCDLO CN(C)c1ccc(CN2C[C@@]3(F)C[N@H+](CC(C)(C)C)C[C@@]3(F)C2=O)cc1 ZINC001276373335 1022542189 /nfs/dbraw/zinc/54/21/89/1022542189.db2.gz GHWZSCPXGOUPHW-VQTJNVASSA-N 1 2 365.468 2.873 20 10 FFCDLO CN(C)c1ccc(CN2C[C@@]3(F)C[N@@H+](CC(C)(C)C)C[C@@]3(F)C2=O)cc1 ZINC001276373335 1022542203 /nfs/dbraw/zinc/54/22/03/1022542203.db2.gz GHWZSCPXGOUPHW-VQTJNVASSA-N 1 2 365.468 2.873 20 10 FFCDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779020331 1022658482 /nfs/dbraw/zinc/65/84/82/1022658482.db2.gz QSOGUGWSSXKAHR-INIZCTEOSA-N 1 2 372.440 2.951 20 10 FFCDLO Cn1cc[nH+]c1C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000779526201 1023954934 /nfs/dbraw/zinc/95/49/34/1023954934.db2.gz QIFXNSZTNKJRAH-SECOEOQKSA-N 1 2 363.417 2.945 20 10 FFCDLO COCC[NH+]1CCN(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 ZINC000194607129 1024865134 /nfs/dbraw/zinc/86/51/34/1024865134.db2.gz UAJXXIMIGKSIDI-UHFFFAOYSA-N 1 2 373.472 2.680 20 10 FFCDLO Oc1ccc(O)c(C[N@@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001141160111 1025542631 /nfs/dbraw/zinc/54/26/31/1025542631.db2.gz QDDBENDSVYHZNU-QFBILLFUSA-N 1 2 358.413 2.574 20 10 FFCDLO Oc1ccc(O)c(C[N@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001141160111 1025542639 /nfs/dbraw/zinc/54/26/39/1025542639.db2.gz QDDBENDSVYHZNU-QFBILLFUSA-N 1 2 358.413 2.574 20 10 FFCDLO O=C1NCC[C@]12CCC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141369367 1026049569 /nfs/dbraw/zinc/04/95/69/1026049569.db2.gz QLAHKHBKRBNBHU-HNNXBMFYSA-N 1 2 373.678 2.910 20 10 FFCDLO O=C1NCC[C@]12CCC[N@H+](Cc1cc(Cl)cc(Br)c1O)C2 ZINC001141369367 1026049587 /nfs/dbraw/zinc/04/95/87/1026049587.db2.gz QLAHKHBKRBNBHU-HNNXBMFYSA-N 1 2 373.678 2.910 20 10 FFCDLO COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000839479661 1026694723 /nfs/dbraw/zinc/69/47/23/1026694723.db2.gz UAGATPTUBAYULH-LBPRGKRZSA-N 1 2 357.410 2.537 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000839668299 1026785251 /nfs/dbraw/zinc/78/52/51/1026785251.db2.gz YDDOMAAAXDGSHB-RXVVDRJESA-N 1 2 370.493 2.569 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000839668299 1026785262 /nfs/dbraw/zinc/78/52/62/1026785262.db2.gz YDDOMAAAXDGSHB-RXVVDRJESA-N 1 2 370.493 2.569 20 10 FFCDLO CCOC(=O)c1cc2cc[nH+]c(NCCc3cc(O)c(O)cc3O)c2[nH]1 ZINC001157245689 1029520309 /nfs/dbraw/zinc/52/03/09/1029520309.db2.gz ILFPDRASEFLXJB-UHFFFAOYSA-N 1 2 357.366 2.511 20 10 FFCDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc2cccnc2c1O ZINC001142731280 1030773434 /nfs/dbraw/zinc/77/34/34/1030773434.db2.gz RNQYMPICESRXFP-ZDUSSCGKSA-N 1 2 364.327 2.947 20 10 FFCDLO COc1ccc(O)c(C[N@@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)c1 ZINC001203684518 1030827257 /nfs/dbraw/zinc/82/72/57/1030827257.db2.gz YRECBQMHAZVKHW-OAHLLOKOSA-N 1 2 351.443 2.724 20 10 FFCDLO COc1ccc(O)c(C[N@H+]2CCOC[C@H]2CCC(=O)OC(C)(C)C)c1 ZINC001203684518 1030827276 /nfs/dbraw/zinc/82/72/76/1030827276.db2.gz YRECBQMHAZVKHW-OAHLLOKOSA-N 1 2 351.443 2.724 20 10 FFCDLO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2)cc1 ZINC001219203748 1033554394 /nfs/dbraw/zinc/55/43/94/1033554394.db2.gz MZIUVBDVYNFXGN-YADGQWAMSA-N 1 2 351.450 2.850 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001139124708 1034954468 /nfs/dbraw/zinc/95/44/68/1034954468.db2.gz DGFFGQOHVDHIOP-ZDUSSCGKSA-N 1 2 374.437 2.906 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001139124708 1034954471 /nfs/dbraw/zinc/95/44/71/1034954471.db2.gz DGFFGQOHVDHIOP-ZDUSSCGKSA-N 1 2 374.437 2.906 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001139133719 1034962660 /nfs/dbraw/zinc/96/26/60/1034962660.db2.gz NHAYARHIZFEEAG-AWEZNQCLSA-N 1 2 367.405 2.640 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001139133719 1034962672 /nfs/dbraw/zinc/96/26/72/1034962672.db2.gz NHAYARHIZFEEAG-AWEZNQCLSA-N 1 2 367.405 2.640 20 10 FFCDLO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(F)cc(F)c1O ZINC000834909676 1035472756 /nfs/dbraw/zinc/47/27/56/1035472756.db2.gz CQIKTUZDRIVQLM-DGCLKSJQSA-N 1 2 372.412 2.957 20 10 FFCDLO Oc1cc(O)c(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)cc1Cl ZINC001232262967 1035534480 /nfs/dbraw/zinc/53/44/80/1035534480.db2.gz YDPKBUPDKLOVCW-UHFFFAOYSA-N 1 2 355.225 2.517 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001536200395 1069934371 /nfs/dbraw/zinc/93/43/71/1069934371.db2.gz MELDRGCYZUCMKQ-UHFFFAOYSA-N 1 2 355.482 2.935 20 10 FFCDLO CC(C)=CCN1C(=O)COCC12C[NH+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001277214346 1035582124 /nfs/dbraw/zinc/58/21/24/1035582124.db2.gz RWTJYKOGAYXYTL-UHFFFAOYSA-N 1 2 364.873 2.733 20 10 FFCDLO COc1cc(C)nc(OC2CC[NH+](Cc3c(O)cc(F)cc3F)CC2)n1 ZINC001140585523 1035671553 /nfs/dbraw/zinc/67/15/53/1035671553.db2.gz MEEHQLQBQGDHNY-UHFFFAOYSA-N 1 2 365.380 2.821 20 10 FFCDLO COc1cc2c(cn1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1F)C2 ZINC001140667512 1035828087 /nfs/dbraw/zinc/82/80/87/1035828087.db2.gz VPPBTPTZSOJJEL-UHFFFAOYSA-N 1 2 357.429 2.624 20 10 FFCDLO COc1cc2c(cn1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1F)C2 ZINC001140667512 1035828098 /nfs/dbraw/zinc/82/80/98/1035828098.db2.gz VPPBTPTZSOJJEL-UHFFFAOYSA-N 1 2 357.429 2.624 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)ccc1Cl ZINC001233015316 1036251505 /nfs/dbraw/zinc/25/15/05/1036251505.db2.gz KHMIHGBVTUZYFN-UHFFFAOYSA-N 1 2 364.829 2.788 20 10 FFCDLO OC[C@]1(F)CCC[N@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233028501 1036267618 /nfs/dbraw/zinc/26/76/18/1036267618.db2.gz PEXMQHSMBFOKCY-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO OC[C@]1(F)CCC[N@@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233028501 1036267626 /nfs/dbraw/zinc/26/76/26/1036267626.db2.gz PEXMQHSMBFOKCY-AWEZNQCLSA-N 1 2 350.203 2.980 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001233033870 1036276420 /nfs/dbraw/zinc/27/64/20/1036276420.db2.gz VNWXTOQSZYPVKH-LLVKDONJSA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001233033870 1036276438 /nfs/dbraw/zinc/27/64/38/1036276438.db2.gz VNWXTOQSZYPVKH-LLVKDONJSA-N 1 2 368.206 2.737 20 10 FFCDLO O=c1c2ccccc2nnn1C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC001233078759 1036325852 /nfs/dbraw/zinc/32/58/52/1036325852.db2.gz IWOIEIQRRYFMPR-UHFFFAOYSA-N 1 2 372.375 2.612 20 10 FFCDLO O=C1c2ccc(O[C@H]3CCc4[nH+]ccn4C3)cc2C(=O)c2ccc(O)cc21 ZINC001229191089 1036541337 /nfs/dbraw/zinc/54/13/37/1036541337.db2.gz SVUDNKPGBJRGRG-AWEZNQCLSA-N 1 2 360.369 2.758 20 10 FFCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001233335500 1036541271 /nfs/dbraw/zinc/54/12/71/1036541271.db2.gz YEGFMGUXEFCOSQ-UHFFFAOYSA-N 1 2 374.313 2.801 20 10 FFCDLO CC(C)[N@@H+]1CC[C@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229196992 1036547554 /nfs/dbraw/zinc/54/75/54/1036547554.db2.gz LBRVJYRHSMETAF-LBPRGKRZSA-N 1 2 367.401 2.735 20 10 FFCDLO CC(C)[N@H+]1CC[C@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229196992 1036547558 /nfs/dbraw/zinc/54/75/58/1036547558.db2.gz LBRVJYRHSMETAF-LBPRGKRZSA-N 1 2 367.401 2.735 20 10 FFCDLO CCCCN1C(=O)COCC12C[NH+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001277437627 1037023456 /nfs/dbraw/zinc/02/34/56/1037023456.db2.gz VPHNOIIPHBSDSS-UHFFFAOYSA-N 1 2 352.862 2.567 20 10 FFCDLO COC(=O)[C@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587880 1037707782 /nfs/dbraw/zinc/70/77/82/1037707782.db2.gz IJWPZGXFWXBALE-PBHICJAKSA-N 1 2 369.339 2.586 20 10 FFCDLO COC(=O)[C@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231587880 1037707798 /nfs/dbraw/zinc/70/77/98/1037707798.db2.gz IJWPZGXFWXBALE-PBHICJAKSA-N 1 2 369.339 2.586 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001231852235 1037949470 /nfs/dbraw/zinc/94/94/70/1037949470.db2.gz SISIGBSEGALKFN-IBGZPJMESA-N 1 2 351.450 2.774 20 10 FFCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001231852235 1037949480 /nfs/dbraw/zinc/94/94/80/1037949480.db2.gz SISIGBSEGALKFN-IBGZPJMESA-N 1 2 351.450 2.774 20 10 FFCDLO Cc1cc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)cc1Cl ZINC001231870664 1037968223 /nfs/dbraw/zinc/96/82/23/1037968223.db2.gz MWGJVZSMXVTRGY-CQSZACIVSA-N 1 2 370.877 2.768 20 10 FFCDLO Cc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)cc1Cl ZINC001231870664 1037968239 /nfs/dbraw/zinc/96/82/39/1037968239.db2.gz MWGJVZSMXVTRGY-CQSZACIVSA-N 1 2 370.877 2.768 20 10 FFCDLO COCCN1CC[C@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001231909996 1038001258 /nfs/dbraw/zinc/00/12/58/1038001258.db2.gz ITLRXBQLZNVVMG-SFHVURJKSA-N 1 2 352.862 2.507 20 10 FFCDLO COCCN1CC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)C1=O ZINC001231909996 1038001281 /nfs/dbraw/zinc/00/12/81/1038001281.db2.gz ITLRXBQLZNVVMG-SFHVURJKSA-N 1 2 352.862 2.507 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231909818 1038003127 /nfs/dbraw/zinc/00/31/27/1038003127.db2.gz QCCGGTCUHNXZJD-STQMWFEESA-N 1 2 356.850 2.506 20 10 FFCDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231909818 1038003151 /nfs/dbraw/zinc/00/31/51/1038003151.db2.gz QCCGGTCUHNXZJD-STQMWFEESA-N 1 2 356.850 2.506 20 10 FFCDLO Oc1c(Cl)cccc1C[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001231911962 1038004896 /nfs/dbraw/zinc/00/48/96/1038004896.db2.gz UNNGYAOENGMREA-UHFFFAOYSA-N 1 2 357.845 2.545 20 10 FFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001231911962 1038004914 /nfs/dbraw/zinc/00/49/14/1038004914.db2.gz UNNGYAOENGMREA-UHFFFAOYSA-N 1 2 357.845 2.545 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC001236669502 1038182701 /nfs/dbraw/zinc/18/27/01/1038182701.db2.gz KDIYUERCBPCZRX-SCDSUCTJSA-N 1 2 354.244 2.989 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(C)cc(Br)c1O ZINC001236669502 1038182704 /nfs/dbraw/zinc/18/27/04/1038182704.db2.gz KDIYUERCBPCZRX-SCDSUCTJSA-N 1 2 354.244 2.989 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001236669182 1038182728 /nfs/dbraw/zinc/18/27/28/1038182728.db2.gz HMHJBGNVXAUART-CQSZACIVSA-N 1 2 367.287 2.954 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001236669182 1038182736 /nfs/dbraw/zinc/18/27/36/1038182736.db2.gz HMHJBGNVXAUART-CQSZACIVSA-N 1 2 367.287 2.954 20 10 FFCDLO COc1cc(C[N@@H+]2CCCC3(C2)OCCO3)c(O)cc1Br ZINC001236749280 1038232939 /nfs/dbraw/zinc/23/29/39/1038232939.db2.gz AWNPORJCLCHERP-UHFFFAOYSA-N 1 2 358.232 2.502 20 10 FFCDLO COc1cc(C[N@H+]2CCCC3(C2)OCCO3)c(O)cc1Br ZINC001236749280 1038232949 /nfs/dbraw/zinc/23/29/49/1038232949.db2.gz AWNPORJCLCHERP-UHFFFAOYSA-N 1 2 358.232 2.502 20 10 FFCDLO Oc1cc(CN2CC[NH+](Cc3ccco3)CC2)c(O)cc1Br ZINC001236775504 1038259856 /nfs/dbraw/zinc/25/98/56/1038259856.db2.gz NCABNRSOUXEBMC-UHFFFAOYSA-N 1 2 367.243 2.771 20 10 FFCDLO COc1ccc(C[NH+]2CCC(N3CCCOC3=O)CC2)c(O)c1Cl ZINC001236808732 1038281658 /nfs/dbraw/zinc/28/16/58/1038281658.db2.gz IMWGWOMFWUJQOH-UHFFFAOYSA-N 1 2 354.834 2.861 20 10 FFCDLO CCCCN1C[C@@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023223 1038333213 /nfs/dbraw/zinc/33/32/13/1038333213.db2.gz OXFAZHLZWOMGBB-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCCCN1C[C@@]2(CC[N@@H+](Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023223 1038333230 /nfs/dbraw/zinc/33/32/30/1038333230.db2.gz OXFAZHLZWOMGBB-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C[C@H](O)C1 ZINC001237123217 1038451035 /nfs/dbraw/zinc/45/10/35/1038451035.db2.gz IUGYYNCRTNIFSS-NSHDSACASA-N 1 2 374.840 2.598 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C[C@H](O)C1 ZINC001237123217 1038451038 /nfs/dbraw/zinc/45/10/38/1038451038.db2.gz IUGYYNCRTNIFSS-NSHDSACASA-N 1 2 374.840 2.598 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3nn(C)c4ccccc34)CC2)c(OC)c1 ZINC001209584732 1039020317 /nfs/dbraw/zinc/02/03/17/1039020317.db2.gz LPQDWTRSNBISOQ-UHFFFAOYSA-N 1 2 366.465 2.913 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCC(OC(C)C)CC1 ZINC001257869814 1039031992 /nfs/dbraw/zinc/03/19/92/1039031992.db2.gz TYMOHRVGAQWTQB-GPANFISMSA-N 1 2 351.443 2.508 20 10 FFCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC001258387411 1039348009 /nfs/dbraw/zinc/34/80/09/1039348009.db2.gz BZTQLRLDTZIZDD-KSSFIOAISA-N 1 2 373.449 2.801 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210312010 1039481543 /nfs/dbraw/zinc/48/15/43/1039481543.db2.gz RWYNDKBFXRFHGL-KRWDZBQOSA-N 1 2 364.445 2.824 20 10 FFCDLO O=C(Nc1cccnc1)N1CCC12C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001278490751 1039867018 /nfs/dbraw/zinc/86/70/18/1039867018.db2.gz LISLAKGLOOSEQT-UHFFFAOYSA-N 1 2 358.829 2.933 20 10 FFCDLO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]([NH3+])CC[S@@](C)=O)n2)cc1 ZINC001249250395 1040652970 /nfs/dbraw/zinc/65/29/70/1040652970.db2.gz VQONRPOKPJSTDU-IVCQMTBJSA-N 1 2 358.467 2.913 20 10 FFCDLO Cc1cc(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c(O)cc1Br ZINC001250128925 1041124453 /nfs/dbraw/zinc/12/44/53/1041124453.db2.gz QEYKZJHGKQBIHD-UHFFFAOYSA-N 1 2 369.303 2.758 20 10 FFCDLO Cc1cc(CN2CC([N@@H+]3CCOC(C)(C)C3)C2)c(O)cc1Br ZINC001250128925 1041124461 /nfs/dbraw/zinc/12/44/61/1041124461.db2.gz QEYKZJHGKQBIHD-UHFFFAOYSA-N 1 2 369.303 2.758 20 10 FFCDLO Cc1cc(CN2CC([N@H+]3CCOC(C)(C)C3)C2)c(O)cc1Br ZINC001250128925 1041124464 /nfs/dbraw/zinc/12/44/64/1041124464.db2.gz QEYKZJHGKQBIHD-UHFFFAOYSA-N 1 2 369.303 2.758 20 10 FFCDLO Cc1cc(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c(O)cc1Br ZINC001250135672 1041126577 /nfs/dbraw/zinc/12/65/77/1041126577.db2.gz HZHTXLVSLGWRCQ-CHWSQXEVSA-N 1 2 369.303 2.757 20 10 FFCDLO Cc1cc(CN2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)c(O)cc1Br ZINC001250135672 1041126582 /nfs/dbraw/zinc/12/65/82/1041126582.db2.gz HZHTXLVSLGWRCQ-CHWSQXEVSA-N 1 2 369.303 2.757 20 10 FFCDLO Oc1cc(O)c(CN2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)cc1Cl ZINC001279571981 1043276644 /nfs/dbraw/zinc/27/66/44/1043276644.db2.gz DICGNKHZDVFWLS-YJBOKZPZSA-N 1 2 352.862 2.579 20 10 FFCDLO Oc1cc(O)c(CN2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)cc1Cl ZINC001279571981 1043276660 /nfs/dbraw/zinc/27/66/60/1043276660.db2.gz DICGNKHZDVFWLS-YJBOKZPZSA-N 1 2 352.862 2.579 20 10 FFCDLO Oc1cc(O)c(C[N@@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)cc1Cl ZINC001279571981 1043276672 /nfs/dbraw/zinc/27/66/72/1043276672.db2.gz DICGNKHZDVFWLS-YJBOKZPZSA-N 1 2 352.862 2.579 20 10 FFCDLO Oc1cc(O)c(C[N@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)cc1Cl ZINC001279571981 1043276680 /nfs/dbraw/zinc/27/66/80/1043276680.db2.gz DICGNKHZDVFWLS-YJBOKZPZSA-N 1 2 352.862 2.579 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1)c1ccccn1 ZINC001237623263 1043279361 /nfs/dbraw/zinc/27/93/61/1043279361.db2.gz KNJKLBJLLDGMGP-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(Br)c(C)cc1O ZINC001237685416 1043310878 /nfs/dbraw/zinc/31/08/78/1043310878.db2.gz PYEGRQLECPDPLQ-IFUGULHKSA-N 1 2 354.244 2.989 20 10 FFCDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(Br)c(C)cc1O ZINC001237685416 1043310885 /nfs/dbraw/zinc/31/08/85/1043310885.db2.gz PYEGRQLECPDPLQ-IFUGULHKSA-N 1 2 354.244 2.989 20 10 FFCDLO O=C(NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1)c1ccncc1 ZINC001237939397 1043445806 /nfs/dbraw/zinc/44/58/06/1043445806.db2.gz BRHUCZKECWIICJ-UHFFFAOYSA-N 1 2 363.820 2.974 20 10 FFCDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)cc(C)c1O ZINC001238059182 1043505524 /nfs/dbraw/zinc/50/55/24/1043505524.db2.gz AWMMHWXJCJHDNI-INIZCTEOSA-N 1 2 368.449 2.907 20 10 FFCDLO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238059182 1043505537 /nfs/dbraw/zinc/50/55/37/1043505537.db2.gz AWMMHWXJCJHDNI-INIZCTEOSA-N 1 2 368.449 2.907 20 10 FFCDLO O=C(NC1CCC(F)CC1)[C@@H]1CC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001280009083 1044081799 /nfs/dbraw/zinc/08/17/99/1044081799.db2.gz PMULFDHARWAOEP-PIMMBPRGSA-N 1 2 350.409 2.750 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC001347838898 1054368524 /nfs/dbraw/zinc/36/85/24/1054368524.db2.gz AQZUNIIFZNHZTL-QGZVFWFLSA-N 1 2 359.857 2.782 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC001347838898 1054368534 /nfs/dbraw/zinc/36/85/34/1054368534.db2.gz AQZUNIIFZNHZTL-QGZVFWFLSA-N 1 2 359.857 2.782 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)NCCc2[nH+]ccn2C)CCCC1 ZINC001350512117 1055809224 /nfs/dbraw/zinc/80/92/24/1055809224.db2.gz SVIPMRVMIZTTRT-UHFFFAOYSA-N 1 2 366.465 2.621 20 10 FFCDLO Nc1ccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC001353539616 1056514070 /nfs/dbraw/zinc/51/40/70/1056514070.db2.gz OETIRTGJYVJSRE-QPJJXVBHSA-N 1 2 350.466 2.809 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC001461417203 1061314549 /nfs/dbraw/zinc/31/45/49/1061314549.db2.gz KMZFRKTVFZNPHX-AWEZNQCLSA-N 1 2 367.218 2.918 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001473574418 1065287883 /nfs/dbraw/zinc/28/78/83/1065287883.db2.gz XGKJVQASHWQUQG-ZFWWWQNUSA-N 1 2 361.360 2.867 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001473574418 1065287892 /nfs/dbraw/zinc/28/78/92/1065287892.db2.gz XGKJVQASHWQUQG-ZFWWWQNUSA-N 1 2 361.360 2.867 20 10 FFCDLO C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1ccccc1 ZINC001589999584 1080929423 /nfs/dbraw/zinc/92/94/23/1080929423.db2.gz XRWRRENEMQIAJM-OFQRWUPVSA-N 1 2 367.453 2.778 20 10 FFCDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cccc(Cl)c1O ZINC000371427558 512395933 /nfs/dbraw/zinc/39/59/33/512395933.db2.gz XCAXRVYWKDNTEJ-QGZVFWFLSA-N 1 2 370.840 2.675 20 10 FFCDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cccc(Cl)c1O ZINC000371427557 512396263 /nfs/dbraw/zinc/39/62/63/512396263.db2.gz XCAXRVYWKDNTEJ-KRWDZBQOSA-N 1 2 370.840 2.675 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1O ZINC000177026639 509826284 /nfs/dbraw/zinc/82/62/84/509826284.db2.gz FJEKDMKMDRXSOC-UHFFFAOYSA-N 1 2 350.846 2.739 20 10 FFCDLO CCCC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000177279352 509976243 /nfs/dbraw/zinc/97/62/43/509976243.db2.gz FKNRCOBTZCOKAH-HNNXBMFYSA-N 1 2 357.447 2.523 20 10 FFCDLO CCCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000177279352 509976248 /nfs/dbraw/zinc/97/62/48/509976248.db2.gz FKNRCOBTZCOKAH-HNNXBMFYSA-N 1 2 357.447 2.523 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000177285472 509979551 /nfs/dbraw/zinc/97/95/51/509979551.db2.gz FNIMSUPDOSMWFH-UHFFFAOYSA-N 1 2 352.862 2.939 20 10 FFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000177285472 509979557 /nfs/dbraw/zinc/97/95/57/509979557.db2.gz FNIMSUPDOSMWFH-UHFFFAOYSA-N 1 2 352.862 2.939 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000180560357 509983574 /nfs/dbraw/zinc/98/35/74/509983574.db2.gz DGUSYHMOSKYJFK-ZFWWWQNUSA-N 1 2 372.259 2.543 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000180560357 509983581 /nfs/dbraw/zinc/98/35/81/509983581.db2.gz DGUSYHMOSKYJFK-ZFWWWQNUSA-N 1 2 372.259 2.543 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000265942185 510314332 /nfs/dbraw/zinc/31/43/32/510314332.db2.gz RGSHUBNJWOTOHG-UHFFFAOYSA-N 1 2 366.465 2.683 20 10 FFCDLO C[N@H+](Cc1nnnn1CC(F)(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000190800119 510350299 /nfs/dbraw/zinc/35/02/99/510350299.db2.gz YIBGNAWJALTANL-UHFFFAOYSA-N 1 2 368.407 2.858 20 10 FFCDLO C[N@@H+](Cc1nnnn1CC(F)(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000190800119 510350302 /nfs/dbraw/zinc/35/03/02/510350302.db2.gz YIBGNAWJALTANL-UHFFFAOYSA-N 1 2 368.407 2.858 20 10 FFCDLO CC[N@H+](CCS(=O)(=O)C(C)C)Cc1cc(Br)ccc1O ZINC000178235469 510503530 /nfs/dbraw/zinc/50/35/30/510503530.db2.gz LLODGISMIUPPJE-UHFFFAOYSA-N 1 2 364.305 2.800 20 10 FFCDLO CC[N@@H+](CCS(=O)(=O)C(C)C)Cc1cc(Br)ccc1O ZINC000178235469 510503538 /nfs/dbraw/zinc/50/35/38/510503538.db2.gz LLODGISMIUPPJE-UHFFFAOYSA-N 1 2 364.305 2.800 20 10 FFCDLO CCS(=O)(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000195164104 510696540 /nfs/dbraw/zinc/69/65/40/510696540.db2.gz GZRLSOJZKFXVQE-UHFFFAOYSA-N 1 2 362.289 2.554 20 10 FFCDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000266631466 510698928 /nfs/dbraw/zinc/69/89/28/510698928.db2.gz PPMJWEGLXBFZPQ-GFCCVEGCSA-N 1 2 363.414 2.870 20 10 FFCDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000266631466 510698932 /nfs/dbraw/zinc/69/89/32/510698932.db2.gz PPMJWEGLXBFZPQ-GFCCVEGCSA-N 1 2 363.414 2.870 20 10 FFCDLO COc1cccc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)CCO2)c1 ZINC000278138225 510983295 /nfs/dbraw/zinc/98/32/95/510983295.db2.gz AMDWXLQHNJXTDV-KRWDZBQOSA-N 1 2 374.393 2.891 20 10 FFCDLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)CCO2)c1 ZINC000278138225 510983300 /nfs/dbraw/zinc/98/33/00/510983300.db2.gz AMDWXLQHNJXTDV-KRWDZBQOSA-N 1 2 374.393 2.891 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3cnc([C@H](C)O)s3)CC2)cc1F ZINC000289231311 511095725 /nfs/dbraw/zinc/09/57/25/511095725.db2.gz KEIZHYPBFUHVNV-LBPRGKRZSA-N 1 2 351.447 2.666 20 10 FFCDLO COC[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)OCCc2ccccc21 ZINC000289817391 511115848 /nfs/dbraw/zinc/11/58/48/511115848.db2.gz LYGAFRAHWGBXMZ-IBGZPJMESA-N 1 2 358.394 2.505 20 10 FFCDLO COc1c(O)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000290987873 511155523 /nfs/dbraw/zinc/15/55/23/511155523.db2.gz UUTDISXGMVQYAZ-GFCCVEGCSA-N 1 2 352.778 2.606 20 10 FFCDLO COc1c(O)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000290987873 511155536 /nfs/dbraw/zinc/15/55/36/511155536.db2.gz UUTDISXGMVQYAZ-GFCCVEGCSA-N 1 2 352.778 2.606 20 10 FFCDLO COc1c(O)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000365122414 511269984 /nfs/dbraw/zinc/26/99/84/511269984.db2.gz RHJJLUOXNNVCGN-QGZVFWFLSA-N 1 2 368.393 2.922 20 10 FFCDLO COCCc1noc(C[N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000280145558 511352453 /nfs/dbraw/zinc/35/24/53/511352453.db2.gz FKPMJSPFFAOAMY-UHFFFAOYSA-N 1 2 372.391 2.975 20 10 FFCDLO COCCc1noc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000280145558 511352460 /nfs/dbraw/zinc/35/24/60/511352460.db2.gz FKPMJSPFFAOAMY-UHFFFAOYSA-N 1 2 372.391 2.975 20 10 FFCDLO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273464214 511527664 /nfs/dbraw/zinc/52/76/64/511527664.db2.gz DHXBOKXDYFITHT-LBPRGKRZSA-N 1 2 364.423 2.696 20 10 FFCDLO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000273570668 511537667 /nfs/dbraw/zinc/53/76/67/511537667.db2.gz KQJSBWCDWBCGAU-DYVFJYSZSA-N 1 2 357.410 2.651 20 10 FFCDLO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273592894 511545101 /nfs/dbraw/zinc/54/51/01/511545101.db2.gz PSEPNMYDGTVNQS-ZMZPIMSZSA-N 1 2 362.382 2.702 20 10 FFCDLO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000273612649 511552131 /nfs/dbraw/zinc/55/21/31/511552131.db2.gz WQSPKFZQTFDBLY-NSHDSACASA-N 1 2 374.312 2.902 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3nc(-c4cc(C)ccn4)no3)CC2)cc1 ZINC000296533227 511785369 /nfs/dbraw/zinc/78/53/69/511785369.db2.gz NKCAFBVKNRHRIM-UHFFFAOYSA-N 1 2 365.437 2.771 20 10 FFCDLO COC1CCN(c2ccc(C[NH+]3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000296561664 511797636 /nfs/dbraw/zinc/79/76/36/511797636.db2.gz PQOIRSLOMBAUBR-UHFFFAOYSA-N 1 2 371.447 2.982 20 10 FFCDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1O ZINC000285128562 512009872 /nfs/dbraw/zinc/00/98/72/512009872.db2.gz OCBAPBZFYFYNRC-MRXNPFEDSA-N 1 2 372.469 2.920 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000527176800 517545156 /nfs/dbraw/zinc/54/51/56/517545156.db2.gz RRXMIDPHKQTFME-UHFFFAOYSA-N 1 2 363.465 2.914 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)N(C)Cc2c[nH+]c[nH]2)CCCC1 ZINC000616921263 520237336 /nfs/dbraw/zinc/23/73/36/520237336.db2.gz KXYNWOSHNSBGBW-UHFFFAOYSA-N 1 2 352.438 2.910 20 10 FFCDLO COc1ccc2c(c1)c1c(n2CC(=O)N(C)Cc2c[nH]c[nH+]2)CCCC1 ZINC000616921263 520237341 /nfs/dbraw/zinc/23/73/41/520237341.db2.gz KXYNWOSHNSBGBW-UHFFFAOYSA-N 1 2 352.438 2.910 20 10 FFCDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511076 608854791 /nfs/dbraw/zinc/85/47/91/608854791.db2.gz AZGHLUYDVLAPGO-QGZVFWFLSA-N 1 2 371.828 2.799 20 10 FFCDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511076 608854793 /nfs/dbraw/zinc/85/47/93/608854793.db2.gz AZGHLUYDVLAPGO-QGZVFWFLSA-N 1 2 371.828 2.799 20 10 FFCDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898720888 735399307 /nfs/dbraw/zinc/39/93/07/735399307.db2.gz NOJFBECQUDNMKZ-SNVBAGLBSA-N 1 2 358.186 2.734 20 10 FFCDLO O=S(=O)(c1ccccc1Cl)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179558105 729188904 /nfs/dbraw/zinc/18/89/04/729188904.db2.gz INKVBUHVOPTYCW-UHFFFAOYSA-N 1 2 366.870 2.552 20 10 FFCDLO CCC[N@H+](Cc1cccc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179642181 729191081 /nfs/dbraw/zinc/19/10/81/729191081.db2.gz OBXQQAWCYCIVLZ-GFCCVEGCSA-N 1 2 362.289 2.554 20 10 FFCDLO CCC[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179642181 729191085 /nfs/dbraw/zinc/19/10/85/729191085.db2.gz OBXQQAWCYCIVLZ-GFCCVEGCSA-N 1 2 362.289 2.554 20 10 FFCDLO CC[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cccc(Cl)c1O ZINC000858465916 730426562 /nfs/dbraw/zinc/42/65/62/730426562.db2.gz QGRITCHIIRMCOK-VQIMIIECSA-N 1 2 368.905 2.702 20 10 FFCDLO CN(C)c1cc(F)c(CN2CCCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC000862238711 730680022 /nfs/dbraw/zinc/68/00/22/730680022.db2.gz GTSHOXSDFKNFLG-INIZCTEOSA-N 1 2 353.457 2.718 20 10 FFCDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(F)c(F)c2O)c1 ZINC000876727744 732273213 /nfs/dbraw/zinc/27/32/13/732273213.db2.gz AZBYGTYQRWFXPZ-UHFFFAOYSA-N 1 2 353.365 2.682 20 10 FFCDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(F)c(F)c2O)c1 ZINC000876727744 732273216 /nfs/dbraw/zinc/27/32/16/732273216.db2.gz AZBYGTYQRWFXPZ-UHFFFAOYSA-N 1 2 353.365 2.682 20 10 FFCDLO CC(C)(C)[S@@](=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883008249 733320460 /nfs/dbraw/zinc/32/04/60/733320460.db2.gz VQUPMNWFRLCBEG-IBGZPJMESA-N 1 2 352.269 2.931 20 10 FFCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)[C@H]1CN(C)CCO1 ZINC000883051436 733326221 /nfs/dbraw/zinc/32/62/21/733326221.db2.gz BKRVFMHHUINEHS-NOZJJQNGSA-N 1 2 363.683 2.617 20 10 FFCDLO OCC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CCOCC1 ZINC000883088626 733331150 /nfs/dbraw/zinc/33/11/50/733331150.db2.gz LVTYDTKLRBKGJW-AWEZNQCLSA-N 1 2 362.239 2.561 20 10 FFCDLO CCn1cccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c1=O ZINC000883106305 733334552 /nfs/dbraw/zinc/33/45/52/733334552.db2.gz OCXAYFLQGSDRCS-UHFFFAOYSA-N 1 2 355.207 2.765 20 10 FFCDLO Cc1nnc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000892620777 734581502 /nfs/dbraw/zinc/58/15/02/734581502.db2.gz CUZLPYKJOIWZSD-RYUDHWBXSA-N 1 2 350.463 2.889 20 10 FFCDLO OCC[N@H+](Cc1cccnc1)Cc1cc(Br)cc(F)c1O ZINC000894002627 734785373 /nfs/dbraw/zinc/78/53/73/734785373.db2.gz UDWKVKLNUIZOFI-UHFFFAOYSA-N 1 2 355.207 2.683 20 10 FFCDLO OCC[N@@H+](Cc1cccnc1)Cc1cc(Br)cc(F)c1O ZINC000894002627 734785375 /nfs/dbraw/zinc/78/53/75/734785375.db2.gz UDWKVKLNUIZOFI-UHFFFAOYSA-N 1 2 355.207 2.683 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000894093986 734800711 /nfs/dbraw/zinc/80/07/11/734800711.db2.gz JBPVHJPLMKFGRT-LLVKDONJSA-N 1 2 369.238 2.798 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000894093986 734800714 /nfs/dbraw/zinc/80/07/14/734800714.db2.gz JBPVHJPLMKFGRT-LLVKDONJSA-N 1 2 369.238 2.798 20 10 FFCDLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]Cc1c(O)cccc1F ZINC000896642069 735177621 /nfs/dbraw/zinc/17/76/21/735177621.db2.gz POJJODHLTPMWIS-UHFFFAOYSA-N 1 2 350.394 2.902 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000756539470 736339518 /nfs/dbraw/zinc/33/95/18/736339518.db2.gz NRWTTZLWFHUEFN-JTQLQIEISA-N 1 2 357.332 2.788 20 10 FFCDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465539 737424399 /nfs/dbraw/zinc/42/43/99/737424399.db2.gz IORBBYBAULVVQC-NSHDSACASA-N 1 2 360.357 2.925 20 10 FFCDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465539 737424403 /nfs/dbraw/zinc/42/44/03/737424403.db2.gz IORBBYBAULVVQC-NSHDSACASA-N 1 2 360.357 2.925 20 10 FFCDLO COc1c(O)c(C[NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974127 738046980 /nfs/dbraw/zinc/04/69/80/738046980.db2.gz JCZJDKRUMBNBJC-MJBXVCDLSA-N 1 2 351.447 2.765 20 10 FFCDLO COc1c(O)c(CN[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974127 738046984 /nfs/dbraw/zinc/04/69/84/738046984.db2.gz JCZJDKRUMBNBJC-MJBXVCDLSA-N 1 2 351.447 2.765 20 10 FFCDLO COc1c(O)c(CN[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974127 738046986 /nfs/dbraw/zinc/04/69/86/738046986.db2.gz JCZJDKRUMBNBJC-MJBXVCDLSA-N 1 2 351.447 2.765 20 10 FFCDLO CCOC1CC(C[NH2+]Cc2cc(Cl)cc(F)c2O)(N2CCOCC2)C1 ZINC000775177083 738070074 /nfs/dbraw/zinc/07/00/74/738070074.db2.gz MVMKRPJNOLVHJO-UHFFFAOYSA-N 1 2 372.868 2.544 20 10 FFCDLO CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775495855 738097349 /nfs/dbraw/zinc/09/73/49/738097349.db2.gz DIUZVVSJEOMPEL-CYBMUJFWSA-N 1 2 360.285 2.514 20 10 FFCDLO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775701673 738114986 /nfs/dbraw/zinc/11/49/86/738114986.db2.gz VIOXZBTZCMDHJD-MRXNPFEDSA-N 1 2 353.825 2.864 20 10 FFCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2noc3c2COCC3)c1 ZINC000923015900 738230703 /nfs/dbraw/zinc/23/07/03/738230703.db2.gz GAHYKNVTVUKQAB-UHFFFAOYSA-N 1 2 353.216 2.814 20 10 FFCDLO CC[C@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@@]2(CCOC2)O1 ZINC000793363224 739774009 /nfs/dbraw/zinc/77/40/09/739774009.db2.gz RGKXKXDXHKVBDL-XJKSGUPXSA-N 1 2 356.260 2.925 20 10 FFCDLO CC[C@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@@]2(CCOC2)O1 ZINC000793363224 739774012 /nfs/dbraw/zinc/77/40/12/739774012.db2.gz RGKXKXDXHKVBDL-XJKSGUPXSA-N 1 2 356.260 2.925 20 10 FFCDLO CC[N@H+](CC(=O)NCCc1ccc(O)c(O)c1)Cc1ccccc1Cl ZINC000807106164 741110942 /nfs/dbraw/zinc/11/09/42/741110942.db2.gz LBNHGSVXWMRMSX-UHFFFAOYSA-N 1 2 362.857 2.932 20 10 FFCDLO CC[N@@H+](CC(=O)NCCc1ccc(O)c(O)c1)Cc1ccccc1Cl ZINC000807106164 741110946 /nfs/dbraw/zinc/11/09/46/741110946.db2.gz LBNHGSVXWMRMSX-UHFFFAOYSA-N 1 2 362.857 2.932 20 10 FFCDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cccc(Br)c2O)no1 ZINC000810165772 741394031 /nfs/dbraw/zinc/39/40/31/741394031.db2.gz BTPZPOANOFGKHM-UHFFFAOYSA-N 1 2 369.215 2.954 20 10 FFCDLO COC(=O)CN(Cc1c[nH+]cn1C(C)C)Cc1cc(Cl)ccc1O ZINC000822442373 742734274 /nfs/dbraw/zinc/73/42/74/742734274.db2.gz DDKHKDCDMVXVIJ-UHFFFAOYSA-N 1 2 351.834 2.998 20 10 FFCDLO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000825327317 743249579 /nfs/dbraw/zinc/24/95/79/743249579.db2.gz SGSUSLIBVWLPBI-JSGCOSHPSA-N 1 2 366.259 2.898 20 10 FFCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCN1C(=O)c1cscn1 ZINC000835058038 745941501 /nfs/dbraw/zinc/94/15/01/745941501.db2.gz WWPIZGXPJRJINE-NSHDSACASA-N 1 2 351.859 2.849 20 10 FFCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCN1C(=O)c1cscn1 ZINC000835058038 745941504 /nfs/dbraw/zinc/94/15/04/745941504.db2.gz WWPIZGXPJRJINE-NSHDSACASA-N 1 2 351.859 2.849 20 10 FFCDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1cccc(Br)c1O ZINC000846013603 748382649 /nfs/dbraw/zinc/38/26/49/748382649.db2.gz CXGRSKDDCXCTSX-UHFFFAOYSA-N 1 2 364.243 2.546 20 10 FFCDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000846117430 748410666 /nfs/dbraw/zinc/41/06/66/748410666.db2.gz DDBAOJYNZIOOIU-LBPRGKRZSA-N 1 2 354.403 2.861 20 10 FFCDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000846117430 748410671 /nfs/dbraw/zinc/41/06/71/748410671.db2.gz DDBAOJYNZIOOIU-LBPRGKRZSA-N 1 2 354.403 2.861 20 10 FFCDLO Oc1cc(F)c(F)cc1CN1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001279108340 963742297 /nfs/dbraw/zinc/74/22/97/963742297.db2.gz UKRYGTBVNSXBGY-IBGZPJMESA-N 1 2 362.424 2.882 20 10 FFCDLO Oc1cc(F)c(F)cc1CN1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001279108340 963742300 /nfs/dbraw/zinc/74/23/00/963742300.db2.gz UKRYGTBVNSXBGY-IBGZPJMESA-N 1 2 362.424 2.882 20 10 FFCDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)c(C)o1 ZINC001175511632 1013497090 /nfs/dbraw/zinc/49/70/90/1013497090.db2.gz DOQWIEHLTMULPP-UHFFFAOYSA-N 1 2 374.437 2.714 20 10 FFCDLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NCCc1cc(O)c(O)cc1O ZINC001168009085 967733648 /nfs/dbraw/zinc/73/36/48/967733648.db2.gz IOHITXGPJOFQTA-UHFFFAOYSA-N 1 2 360.410 2.737 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c(C)n1-c1cccc(Cl)c1 ZINC000898887545 976748536 /nfs/dbraw/zinc/74/85/36/976748536.db2.gz CPKJYHUZRNTBIR-KRWDZBQOSA-N 1 2 372.856 2.944 20 10 FFCDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876809395 1014400969 /nfs/dbraw/zinc/40/09/69/1014400969.db2.gz FVSPRGPCHPZYCE-HXUWFJFHSA-N 1 2 370.497 2.561 20 10 FFCDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876809395 1014400972 /nfs/dbraw/zinc/40/09/72/1014400972.db2.gz FVSPRGPCHPZYCE-HXUWFJFHSA-N 1 2 370.497 2.561 20 10 FFCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000046481057 984702970 /nfs/dbraw/zinc/70/29/70/984702970.db2.gz UNCPVKXTEDNZKW-GOSISDBHSA-N 1 2 374.529 2.539 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccc1C ZINC000915626310 988823250 /nfs/dbraw/zinc/82/32/50/988823250.db2.gz KNUPJBZCCSUEJH-INIZCTEOSA-N 1 2 355.482 2.853 20 10 FFCDLO CCCCNC(=O)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975572 992363864 /nfs/dbraw/zinc/36/38/64/992363864.db2.gz DRRQXADFRVUBTA-UHFFFAOYSA-N 1 2 359.426 2.613 20 10 FFCDLO CCCCNC(=O)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975572 992363872 /nfs/dbraw/zinc/36/38/72/992363872.db2.gz DRRQXADFRVUBTA-UHFFFAOYSA-N 1 2 359.426 2.613 20 10 FFCDLO COC(=O)[C@H]([C@@H](C)O)[N@H+](Cc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000811509802 995170608 /nfs/dbraw/zinc/17/06/08/995170608.db2.gz FHCMESPATBJOGR-UZLBHIALSA-N 1 2 357.450 2.934 20 10 FFCDLO COC(=O)[C@H]([C@@H](C)O)[N@@H+](Cc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000811509802 995170614 /nfs/dbraw/zinc/17/06/14/995170614.db2.gz FHCMESPATBJOGR-UZLBHIALSA-N 1 2 357.450 2.934 20 10 FFCDLO C[N@@H+](Cc1ccccc1O)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000731843431 998293320 /nfs/dbraw/zinc/29/33/20/998293320.db2.gz GURNGIFSWGWNGI-UHFFFAOYSA-N 1 2 361.405 2.859 20 10 FFCDLO C[N@H+](Cc1ccccc1O)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000731843431 998293331 /nfs/dbraw/zinc/29/33/31/998293331.db2.gz GURNGIFSWGWNGI-UHFFFAOYSA-N 1 2 361.405 2.859 20 10 FFCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)c(C)n1-c1ccccc1 ZINC000734485241 999296360 /nfs/dbraw/zinc/29/63/60/999296360.db2.gz DWOULTJBYAVBHP-LJQANCHMSA-N 1 2 356.466 2.750 20 10 FFCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](OCCO)C2)c(C)n1-c1ccccc1 ZINC000734485241 999296365 /nfs/dbraw/zinc/29/63/65/999296365.db2.gz DWOULTJBYAVBHP-LJQANCHMSA-N 1 2 356.466 2.750 20 10 FFCDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000741242705 999715388 /nfs/dbraw/zinc/71/53/88/999715388.db2.gz RIIBKCVEFRXPNK-GOSISDBHSA-N 1 2 359.422 2.781 20 10 FFCDLO COc1cccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3O)CC2)c1 ZINC001183410219 1002258560 /nfs/dbraw/zinc/25/85/60/1002258560.db2.gz RYDCVFVMXIBYRK-UHFFFAOYSA-N 1 2 372.465 2.736 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)Nc3ccccc3)cc12 ZINC001184355288 1002580083 /nfs/dbraw/zinc/58/00/83/1002580083.db2.gz VHXFKBOZFBQDMW-UHFFFAOYSA-N 1 2 352.390 2.878 20 10 FFCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)Nc3ccccc3)cc12 ZINC001184355288 1002580089 /nfs/dbraw/zinc/58/00/89/1002580089.db2.gz VHXFKBOZFBQDMW-UHFFFAOYSA-N 1 2 352.390 2.878 20 10 FFCDLO COc1c(O)c(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000774876616 1002939976 /nfs/dbraw/zinc/93/99/76/1002939976.db2.gz BOKYCTABZQOUMI-INIZCTEOSA-N 1 2 371.393 2.546 20 10 FFCDLO COc1c(O)c(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000774876616 1002939984 /nfs/dbraw/zinc/93/99/84/1002939984.db2.gz BOKYCTABZQOUMI-INIZCTEOSA-N 1 2 371.393 2.546 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(c3cnccn3)CC2)c(C(F)(F)F)c1 ZINC000792790409 1003179140 /nfs/dbraw/zinc/17/91/40/1003179140.db2.gz QHUMBQBDTDIKPL-UHFFFAOYSA-N 1 2 365.403 2.884 20 10 FFCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000104344944 1004554550 /nfs/dbraw/zinc/55/45/50/1004554550.db2.gz YJRKNNKOFRJTDT-HXUWFJFHSA-N 1 2 370.497 2.937 20 10 FFCDLO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001199135945 1004839792 /nfs/dbraw/zinc/83/97/92/1004839792.db2.gz DCWDCYORGDZYPI-UHFFFAOYSA-N 1 2 372.849 2.725 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)C2)cc1 ZINC000852455280 1006035462 /nfs/dbraw/zinc/03/54/62/1006035462.db2.gz UHOKGUCTRIANRD-INIZCTEOSA-N 1 2 369.469 2.586 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H]1c1ccc(F)cc1)cc2=O ZINC000852468616 1006041878 /nfs/dbraw/zinc/04/18/78/1006041878.db2.gz PCCSSGFTOSRLPJ-INIZCTEOSA-N 1 2 370.384 2.698 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H]1c1ccc(F)cc1)cc2=O ZINC000852468616 1006041893 /nfs/dbraw/zinc/04/18/93/1006041893.db2.gz PCCSSGFTOSRLPJ-INIZCTEOSA-N 1 2 370.384 2.698 20 10 FFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c1 ZINC000815658243 1006728328 /nfs/dbraw/zinc/72/83/28/1006728328.db2.gz XBQXBIDZMJHUMQ-ZDUSSCGKSA-N 1 2 352.394 2.610 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)C2)cc1 ZINC000854301508 1006768279 /nfs/dbraw/zinc/76/82/79/1006768279.db2.gz PXBNRODXBIFPLX-WMZOPIPTSA-N 1 2 369.469 2.517 20 10 FFCDLO COc1cc(N2CC[NH+](Cc3cncn3C(C)C)CC2)cc(OC)c1OC ZINC000822470507 1008636139 /nfs/dbraw/zinc/63/61/39/1008636139.db2.gz RHNJJQWUYSFBKO-UHFFFAOYSA-N 1 2 374.485 2.812 20 10 FFCDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)oc1C ZINC000122066118 1011203585 /nfs/dbraw/zinc/20/35/85/1011203585.db2.gz OZKXZUMMTWCBPH-UHFFFAOYSA-N 1 2 362.401 2.845 20 10 FFCDLO Cc1ccc(O)c(C[N@@H+]2C[C@]3(F)CN(CC4CCCC4)C(=O)[C@]3(F)C2)c1 ZINC001275239385 1012132081 /nfs/dbraw/zinc/13/20/81/1012132081.db2.gz YOLYVOAYWYBAOU-VQTJNVASSA-N 1 2 364.436 2.965 20 10 FFCDLO Cc1ccc(O)c(C[N@H+]2C[C@]3(F)CN(CC4CCCC4)C(=O)[C@]3(F)C2)c1 ZINC001275239385 1012132092 /nfs/dbraw/zinc/13/20/92/1012132092.db2.gz YOLYVOAYWYBAOU-VQTJNVASSA-N 1 2 364.436 2.965 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000777512646 1017241004 /nfs/dbraw/zinc/24/10/04/1017241004.db2.gz JGUUHNZRKZKFHL-HNNXBMFYSA-N 1 2 359.449 2.683 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H]1c1cccc(F)c1)cc2=O ZINC000748835001 1017695812 /nfs/dbraw/zinc/69/58/12/1017695812.db2.gz YNSKXOHKLCSCRQ-MRXNPFEDSA-N 1 2 370.384 2.698 20 10 FFCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H]1c1cccc(F)c1)cc2=O ZINC000748835001 1017695819 /nfs/dbraw/zinc/69/58/19/1017695819.db2.gz YNSKXOHKLCSCRQ-MRXNPFEDSA-N 1 2 370.384 2.698 20 10 FFCDLO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000926560829 1018159455 /nfs/dbraw/zinc/15/94/55/1018159455.db2.gz XCTRDWXRFCEFAE-GFCCVEGCSA-N 1 2 365.428 2.572 20 10 FFCDLO C/C(=C\C(=O)NCc1ccc(N2CCCCC2)cc1)C[NH+]1CCOCC1 ZINC000900404517 1020404769 /nfs/dbraw/zinc/40/47/69/1020404769.db2.gz JPVNVLYHOCINKE-OBGWFSINSA-N 1 2 357.498 2.572 20 10 FFCDLO COc1c(C)c(O[C@H]2C[NH2+]CC2(F)F)cc2c1C(=O)c1ccccc1C2=O ZINC001218237239 1033064302 /nfs/dbraw/zinc/06/43/02/1033064302.db2.gz UFLXNKJPLPOTQD-HNNXBMFYSA-N 1 2 373.355 2.765 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCO1 ZINC001137832004 1033164110 /nfs/dbraw/zinc/16/41/10/1033164110.db2.gz WPWBRVJJYFZTTH-CYBMUJFWSA-N 1 2 354.422 2.647 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137832004 1033164113 /nfs/dbraw/zinc/16/41/13/1033164113.db2.gz WPWBRVJJYFZTTH-CYBMUJFWSA-N 1 2 354.422 2.647 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001137833006 1033166396 /nfs/dbraw/zinc/16/63/96/1033166396.db2.gz PMTZENMISHQVOI-DFQSSKMNSA-N 1 2 358.413 2.875 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001137833006 1033166398 /nfs/dbraw/zinc/16/63/98/1033166398.db2.gz PMTZENMISHQVOI-DFQSSKMNSA-N 1 2 358.413 2.875 20 10 FFCDLO Oc1cccc(F)c1C[N@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001137837356 1033177525 /nfs/dbraw/zinc/17/75/25/1033177525.db2.gz CJPQOIJUAZXEQY-OAHLLOKOSA-N 1 2 368.412 2.834 20 10 FFCDLO Oc1cccc(F)c1C[N@@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001137837356 1033177532 /nfs/dbraw/zinc/17/75/32/1033177532.db2.gz CJPQOIJUAZXEQY-OAHLLOKOSA-N 1 2 368.412 2.834 20 10 FFCDLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1C ZINC000759112193 1024474781 /nfs/dbraw/zinc/47/47/81/1024474781.db2.gz ZICDQQLCKFJTSV-LJQANCHMSA-N 1 2 367.493 2.949 20 10 FFCDLO CCOC[C@H]1C[N@H+](Cc2cc(O)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001141158294 1025538395 /nfs/dbraw/zinc/53/83/95/1025538395.db2.gz XOWSMZASIYADSI-MRXNPFEDSA-N 1 2 357.454 2.840 20 10 FFCDLO CCOC[C@H]1C[N@@H+](Cc2cc(O)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001141158294 1025538408 /nfs/dbraw/zinc/53/84/08/1025538408.db2.gz XOWSMZASIYADSI-MRXNPFEDSA-N 1 2 357.454 2.840 20 10 FFCDLO Oc1ccc(O)c(C[N@@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001141160110 1025542495 /nfs/dbraw/zinc/54/24/95/1025542495.db2.gz QDDBENDSVYHZNU-LPHOPBHVSA-N 1 2 358.413 2.574 20 10 FFCDLO Oc1ccc(O)c(C[N@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001141160110 1025542508 /nfs/dbraw/zinc/54/25/08/1025542508.db2.gz QDDBENDSVYHZNU-LPHOPBHVSA-N 1 2 358.413 2.574 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000840383920 1027065508 /nfs/dbraw/zinc/06/55/08/1027065508.db2.gz BDMBKPMCLYTQEG-INIZCTEOSA-N 1 2 355.486 2.731 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000840383920 1027065511 /nfs/dbraw/zinc/06/55/11/1027065511.db2.gz BDMBKPMCLYTQEG-INIZCTEOSA-N 1 2 355.486 2.731 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CCN(Cc3nccn3C)CC2)cc1F ZINC000093108537 1027606016 /nfs/dbraw/zinc/60/60/16/1027606016.db2.gz AQLPOGBRGBODFR-UHFFFAOYSA-N 1 2 359.493 2.723 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001203656375 1030807471 /nfs/dbraw/zinc/80/74/71/1030807471.db2.gz OZABOHDHQNQBHH-UHFFFAOYSA-N 1 2 362.861 2.970 20 10 FFCDLO Oc1ccc(Cl)cc1C[N@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001203656375 1030807484 /nfs/dbraw/zinc/80/74/84/1030807484.db2.gz OZABOHDHQNQBHH-UHFFFAOYSA-N 1 2 362.861 2.970 20 10 FFCDLO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204343437 1031240121 /nfs/dbraw/zinc/24/01/21/1031240121.db2.gz QJLOLMMCCDWZBA-ZDUSSCGKSA-N 1 2 352.431 2.596 20 10 FFCDLO COc1cc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204343437 1031240133 /nfs/dbraw/zinc/24/01/33/1031240133.db2.gz QJLOLMMCCDWZBA-ZDUSSCGKSA-N 1 2 352.431 2.596 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC001138122588 1033796662 /nfs/dbraw/zinc/79/66/62/1033796662.db2.gz OSTGIFNNWCVOBD-AWEZNQCLSA-N 1 2 354.422 2.647 20 10 FFCDLO CC(C)(C)OC(=O)NCC[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC001138122588 1033796680 /nfs/dbraw/zinc/79/66/80/1033796680.db2.gz OSTGIFNNWCVOBD-AWEZNQCLSA-N 1 2 354.422 2.647 20 10 FFCDLO CC(C)CN1C[C@]2(CC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276967656 1033865086 /nfs/dbraw/zinc/86/50/86/1033865086.db2.gz RVMLGXUVSHLHHV-GOSISDBHSA-N 1 2 370.852 2.644 20 10 FFCDLO CC(C)CN1C[C@]2(CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276967656 1033865096 /nfs/dbraw/zinc/86/50/96/1033865096.db2.gz RVMLGXUVSHLHHV-GOSISDBHSA-N 1 2 370.852 2.644 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001138220415 1033972975 /nfs/dbraw/zinc/97/29/75/1033972975.db2.gz BOOBYBPUZRAXNG-VJDPLVQDSA-N 1 2 358.482 2.829 20 10 FFCDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001138220415 1033972981 /nfs/dbraw/zinc/97/29/81/1033972981.db2.gz BOOBYBPUZRAXNG-VJDPLVQDSA-N 1 2 358.482 2.829 20 10 FFCDLO CCN(CC)c1ccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c(OC)c1 ZINC001138391926 1034226666 /nfs/dbraw/zinc/22/66/66/1034226666.db2.gz JKEFQNOSAHCSAU-LJQANCHMSA-N 1 2 358.486 2.505 20 10 FFCDLO CCN(CC)c1ccc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c(OC)c1 ZINC001138391926 1034226681 /nfs/dbraw/zinc/22/66/81/1034226681.db2.gz JKEFQNOSAHCSAU-LJQANCHMSA-N 1 2 358.486 2.505 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]2C[C@@H]21 ZINC001138495975 1034334355 /nfs/dbraw/zinc/33/43/55/1034334355.db2.gz LBDCECOTMUVMRS-MOPGFXCFSA-N 1 2 373.497 2.717 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]2C[C@@H]21 ZINC001138495975 1034334366 /nfs/dbraw/zinc/33/43/66/1034334366.db2.gz LBDCECOTMUVMRS-MOPGFXCFSA-N 1 2 373.497 2.717 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001139126424 1034956513 /nfs/dbraw/zinc/95/65/13/1034956513.db2.gz GNODEHNQSWVIBX-PIGZYNQJSA-N 1 2 371.355 2.942 20 10 FFCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001139126424 1034956519 /nfs/dbraw/zinc/95/65/19/1034956519.db2.gz GNODEHNQSWVIBX-PIGZYNQJSA-N 1 2 371.355 2.942 20 10 FFCDLO CC[C@@H]1[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)CCC[C@]12CCC(=O)N2 ZINC001139126018 1034957254 /nfs/dbraw/zinc/95/72/54/1034957254.db2.gz TXSCGORGWGUBPL-UWJYYQICSA-N 1 2 370.449 2.830 20 10 FFCDLO CC[C@@H]1[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)CCC[C@]12CCC(=O)N2 ZINC001139126018 1034957263 /nfs/dbraw/zinc/95/72/63/1034957263.db2.gz TXSCGORGWGUBPL-UWJYYQICSA-N 1 2 370.449 2.830 20 10 FFCDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342563 1035445566 /nfs/dbraw/zinc/44/55/66/1035445566.db2.gz PGTULVXNQVIVSM-QWHCGFSZSA-N 1 2 363.845 2.998 20 10 FFCDLO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342563 1035445568 /nfs/dbraw/zinc/44/55/68/1035445568.db2.gz PGTULVXNQVIVSM-QWHCGFSZSA-N 1 2 363.845 2.998 20 10 FFCDLO O=C(c1ccco1)N1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262553 1035533781 /nfs/dbraw/zinc/53/37/81/1035533781.db2.gz JFWGAYFQARBCOV-UHFFFAOYSA-N 1 2 350.802 2.692 20 10 FFCDLO O=C(c1ccco1)N1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262553 1035533788 /nfs/dbraw/zinc/53/37/88/1035533788.db2.gz JFWGAYFQARBCOV-UHFFFAOYSA-N 1 2 350.802 2.692 20 10 FFCDLO COc1cc(O)c(C[NH+]2CCN(c3ncccc3OC)CC2)cc1Cl ZINC001232267741 1035537465 /nfs/dbraw/zinc/53/74/65/1035537465.db2.gz GFARPUJYVSITAP-UHFFFAOYSA-N 1 2 363.845 2.780 20 10 FFCDLO Cc1cc(O)c(C[NH+]2CC3(C2)COCC(=O)N3C2CCCC2)cc1Cl ZINC001277215030 1035589670 /nfs/dbraw/zinc/58/96/70/1035589670.db2.gz OBOKNQNJPJAANR-UHFFFAOYSA-N 1 2 364.873 2.710 20 10 FFCDLO CCOC(=O)C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCCC1 ZINC001140667207 1035827601 /nfs/dbraw/zinc/82/76/01/1035827601.db2.gz LAVUZHDXXQSGLD-UHFFFAOYSA-N 1 2 364.461 2.970 20 10 FFCDLO CCOC(=O)C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCCC1 ZINC001140667207 1035827618 /nfs/dbraw/zinc/82/76/18/1035827618.db2.gz LAVUZHDXXQSGLD-UHFFFAOYSA-N 1 2 364.461 2.970 20 10 FFCDLO Cc1noc([C@H]2CC[N@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233029667 1036266165 /nfs/dbraw/zinc/26/61/65/1036266165.db2.gz GQJVWMJGWJQIMJ-VIFPVBQESA-N 1 2 356.195 2.975 20 10 FFCDLO Cc1noc([C@H]2CC[N@@H+](Cc3c(O)cc(Br)cc3F)C2)n1 ZINC001233029667 1036266170 /nfs/dbraw/zinc/26/61/70/1036266170.db2.gz GQJVWMJGWJQIMJ-VIFPVBQESA-N 1 2 356.195 2.975 20 10 FFCDLO COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)c(F)c3O)CC2)C1 ZINC001233078862 1036326313 /nfs/dbraw/zinc/32/63/13/1036326313.db2.gz MCQDTXSZHNMYEL-AWEZNQCLSA-N 1 2 368.424 2.520 20 10 FFCDLO COC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccc(F)c(F)c3O)CC2)C1 ZINC001233078862 1036326329 /nfs/dbraw/zinc/32/63/29/1036326329.db2.gz MCQDTXSZHNMYEL-AWEZNQCLSA-N 1 2 368.424 2.520 20 10 FFCDLO O=C(Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(F)c(F)c2O)CC1 ZINC001233079068 1036327049 /nfs/dbraw/zinc/32/70/49/1036327049.db2.gz TWDISZXIVKTUCI-UHFFFAOYSA-N 1 2 360.404 2.947 20 10 FFCDLO O=C(Cc1ccccc1)N1CCC[N@H+](Cc2ccc(F)c(F)c2O)CC1 ZINC001233079068 1036327069 /nfs/dbraw/zinc/32/70/69/1036327069.db2.gz TWDISZXIVKTUCI-UHFFFAOYSA-N 1 2 360.404 2.947 20 10 FFCDLO Cc1cc(C)c(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c[nH+]1 ZINC000836241007 1036345868 /nfs/dbraw/zinc/34/58/68/1036345868.db2.gz LXFTUGTZLKSKLB-UHFFFAOYSA-N 1 2 372.444 2.674 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CCC1=O ZINC001234525749 1037075192 /nfs/dbraw/zinc/07/51/92/1037075192.db2.gz JCKKDYJEZMLHOJ-QGZVFWFLSA-N 1 2 357.406 2.508 20 10 FFCDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)CCC1=O ZINC001234525749 1037075208 /nfs/dbraw/zinc/07/52/08/1037075208.db2.gz JCKKDYJEZMLHOJ-QGZVFWFLSA-N 1 2 357.406 2.508 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001235075043 1037346709 /nfs/dbraw/zinc/34/67/09/1037346709.db2.gz IQDUPCQEFGWYPG-GFCCVEGCSA-N 1 2 368.206 2.737 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001235075043 1037346719 /nfs/dbraw/zinc/34/67/19/1037346719.db2.gz IQDUPCQEFGWYPG-GFCCVEGCSA-N 1 2 368.206 2.737 20 10 FFCDLO COc1cc(N(C)C)ccc1C[NH+]1CCN(CCc2ccncc2)CC1 ZINC001231853624 1037952079 /nfs/dbraw/zinc/95/20/79/1037952079.db2.gz MWKLWHDOTQKKNJ-UHFFFAOYSA-N 1 2 354.498 2.517 20 10 FFCDLO O=C(N[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]2CCCO[C@H]12)C1CC1 ZINC001231910504 1038005661 /nfs/dbraw/zinc/00/56/61/1038005661.db2.gz RTLKGNIKPKFLSI-LESCRADOSA-N 1 2 364.873 2.551 20 10 FFCDLO O=C(N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]2CCCO[C@H]12)C1CC1 ZINC001231910504 1038005681 /nfs/dbraw/zinc/00/56/81/1038005681.db2.gz RTLKGNIKPKFLSI-LESCRADOSA-N 1 2 364.873 2.551 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001236669555 1038182765 /nfs/dbraw/zinc/18/27/65/1038182765.db2.gz OUHMPNIUGUFDCG-HNNXBMFYSA-N 1 2 355.232 2.538 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001236669555 1038182772 /nfs/dbraw/zinc/18/27/72/1038182772.db2.gz OUHMPNIUGUFDCG-HNNXBMFYSA-N 1 2 355.232 2.538 20 10 FFCDLO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c(O)c1Cl ZINC001236805378 1038279616 /nfs/dbraw/zinc/27/96/16/1038279616.db2.gz ZTHNUPQZCLJWDL-CYBMUJFWSA-N 1 2 352.862 2.745 20 10 FFCDLO CCOc1ccc(C[N@@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001237043492 1038420071 /nfs/dbraw/zinc/42/00/71/1038420071.db2.gz GWUJGRWEYBDOFL-GJZGRUSLSA-N 1 2 354.422 2.838 20 10 FFCDLO CCOc1ccc(C[N@H+]2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001237043492 1038420077 /nfs/dbraw/zinc/42/00/77/1038420077.db2.gz GWUJGRWEYBDOFL-GJZGRUSLSA-N 1 2 354.422 2.838 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C[C@@H](O)C1 ZINC001237123216 1038450595 /nfs/dbraw/zinc/45/05/95/1038450595.db2.gz IUGYYNCRTNIFSS-LLVKDONJSA-N 1 2 374.840 2.598 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)C[C@@H](O)C1 ZINC001237123216 1038450597 /nfs/dbraw/zinc/45/05/97/1038450597.db2.gz IUGYYNCRTNIFSS-LLVKDONJSA-N 1 2 374.840 2.598 20 10 FFCDLO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cn[nH]c4C)C3)C2)cc1 ZINC001209552499 1038979514 /nfs/dbraw/zinc/97/95/14/1038979514.db2.gz HPOATEBOLPFBMM-OAQYLSRUSA-N 1 2 370.497 2.846 20 10 FFCDLO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cn[nH]c4C)C3)C2)cc1 ZINC001209552499 1038979529 /nfs/dbraw/zinc/97/95/29/1038979529.db2.gz HPOATEBOLPFBMM-OAQYLSRUSA-N 1 2 370.497 2.846 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3cnc(OC)c(OC)c3)CC2)cc1 ZINC001209618107 1039062280 /nfs/dbraw/zinc/06/22/80/1039062280.db2.gz CVCTWCGLWGFKFU-UHFFFAOYSA-N 1 2 357.454 2.820 20 10 FFCDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3C)CC2)cn1 ZINC001237439885 1043164612 /nfs/dbraw/zinc/16/46/12/1043164612.db2.gz BSOPLLWBQKQMAH-UHFFFAOYSA-N 1 2 355.438 2.507 20 10 FFCDLO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2c(O)cc(F)cc2F)c1 ZINC001237444109 1043169290 /nfs/dbraw/zinc/16/92/90/1043169290.db2.gz PGHAYFGSRUTHTA-QGZVFWFLSA-N 1 2 362.376 2.604 20 10 FFCDLO CCOc1ccc(N2CC[NH+](Cc3cc(OC)nc(OC)c3)CC2)cc1 ZINC001237560065 1043240436 /nfs/dbraw/zinc/24/04/36/1043240436.db2.gz PDDZTOPFOUYLMI-UHFFFAOYSA-N 1 2 357.454 2.820 20 10 FFCDLO O=C1[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2CN1c1cccnc1 ZINC001237619696 1043278262 /nfs/dbraw/zinc/27/82/62/1043278262.db2.gz BSDQYDUBPNETPI-WFASDCNBSA-N 1 2 361.804 2.675 20 10 FFCDLO O=C1[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]2CN1c1cccnc1 ZINC001237619696 1043278272 /nfs/dbraw/zinc/27/82/72/1043278272.db2.gz BSDQYDUBPNETPI-WFASDCNBSA-N 1 2 361.804 2.675 20 10 FFCDLO COCCN1CCC2(CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)C1=O ZINC001237619962 1043278322 /nfs/dbraw/zinc/27/83/22/1043278322.db2.gz SYGOUQAUHSKJGX-UHFFFAOYSA-N 1 2 370.852 2.646 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(F)c(Cl)cc2O)C[C@H](O)C1 ZINC001237935289 1043441436 /nfs/dbraw/zinc/44/14/36/1043441436.db2.gz UTWJKGBIEZESAM-LBPRGKRZSA-N 1 2 374.840 2.598 20 10 FFCDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)C[C@H](O)C1 ZINC001237935289 1043441444 /nfs/dbraw/zinc/44/14/44/1043441444.db2.gz UTWJKGBIEZESAM-LBPRGKRZSA-N 1 2 374.840 2.598 20 10 FFCDLO Cc1cc(F)cc(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC001238059361 1043505651 /nfs/dbraw/zinc/50/56/51/1043505651.db2.gz CHCLPYXSLBJLHQ-HNNXBMFYSA-N 1 2 354.422 2.565 20 10 FFCDLO Cc1cc(F)cc(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC001238059361 1043505657 /nfs/dbraw/zinc/50/56/57/1043505657.db2.gz CHCLPYXSLBJLHQ-HNNXBMFYSA-N 1 2 354.422 2.565 20 10 FFCDLO COC(=O)c1ccc(C[NH+]2CCN(Cc3cc(F)cc(C)c3O)CC2)cc1 ZINC001238061301 1043508498 /nfs/dbraw/zinc/50/84/98/1043508498.db2.gz GCTTXJDVFGHGAG-UHFFFAOYSA-N 1 2 372.440 2.944 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(CC3CC3)c21 ZINC001238065704 1043512543 /nfs/dbraw/zinc/51/25/43/1043512543.db2.gz ZAHYBUVCTVKIMI-INIZCTEOSA-N 1 2 374.460 2.977 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2cc(F)cc(C)c2O)Cc2nnn(CC3CC3)c21 ZINC001238065704 1043512554 /nfs/dbraw/zinc/51/25/54/1043512554.db2.gz ZAHYBUVCTVKIMI-INIZCTEOSA-N 1 2 374.460 2.977 20 10 FFCDLO COc1ccc(N2CCC[C@]3(C2)C[N@H+](Cc2cn[nH]c2)CCO3)c(C)c1 ZINC001279769492 1043613705 /nfs/dbraw/zinc/61/37/05/1043613705.db2.gz XJAKDLQRIOFFEF-HXUWFJFHSA-N 1 2 356.470 2.598 20 10 FFCDLO COc1ccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cn[nH]c2)CCO3)c(C)c1 ZINC001279769492 1043613711 /nfs/dbraw/zinc/61/37/11/1043613711.db2.gz XJAKDLQRIOFFEF-HXUWFJFHSA-N 1 2 356.470 2.598 20 10 FFCDLO O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323290840 1045534621 /nfs/dbraw/zinc/53/46/21/1045534621.db2.gz KNPFGPXSESQIMN-UHFFFAOYSA-N 1 2 365.477 2.950 20 10 FFCDLO O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCOCC1 ZINC001306922274 1052222589 /nfs/dbraw/zinc/22/25/89/1052222589.db2.gz MRASUCQWKPYVOO-UHFFFAOYSA-N 1 2 369.421 2.960 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)NCCc3[nH+]ccn3C)ccc21 ZINC001347328422 1053848375 /nfs/dbraw/zinc/84/83/75/1053848375.db2.gz RICWHAOMCSWGNM-UHFFFAOYSA-N 1 2 354.454 2.611 20 10 FFCDLO Oc1ccc(O)c(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)c1 ZINC001472869165 1059612559 /nfs/dbraw/zinc/61/25/59/1059612559.db2.gz PATQPTCIDFEZSY-UHFFFAOYSA-N 1 2 351.341 2.978 20 10 FFCDLO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC001477689169 1061773550 /nfs/dbraw/zinc/77/35/50/1061773550.db2.gz NMSNDCHGQMPDKA-UHFFFAOYSA-N 1 2 374.529 2.539 20 10 FFCDLO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC001477689169 1061773570 /nfs/dbraw/zinc/77/35/70/1061773570.db2.gz NMSNDCHGQMPDKA-UHFFFAOYSA-N 1 2 374.529 2.539 20 10 FFCDLO Cc1[nH]c([C@H]2CCCN2CC(=O)NCc2ccc(N(C)C)cc2)[nH+]c1C ZINC001473790585 1065363601 /nfs/dbraw/zinc/36/36/01/1065363601.db2.gz LGTQIHYSDDPZNJ-GOSISDBHSA-N 1 2 355.486 2.546 20 10 FFCDLO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001473951444 1065425501 /nfs/dbraw/zinc/42/55/01/1065425501.db2.gz FTINCTXVHGYWJC-UHFFFAOYSA-N 1 2 372.849 2.524 20 10 FFCDLO Cc1c2ccccc2n(C)c1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001474071684 1065451515 /nfs/dbraw/zinc/45/15/15/1065451515.db2.gz ZWTGAIXQJXNKEQ-UHFFFAOYSA-N 1 2 353.470 2.628 20 10 FFCDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC001585786874 1079500579 /nfs/dbraw/zinc/50/05/79/1079500579.db2.gz IFLNPCFOCHRGMG-NRFANRHFSA-N 1 2 367.493 2.960 20 10 FFCDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC001585786874 1079500587 /nfs/dbraw/zinc/50/05/87/1079500587.db2.gz IFLNPCFOCHRGMG-NRFANRHFSA-N 1 2 367.493 2.960 20 10 FFCDLO COC(=O)C[N@H+](CCCOC(F)(F)F)Cc1cc(Cl)ccc1O ZINC001559607220 1076176806 /nfs/dbraw/zinc/17/68/06/1076176806.db2.gz DVEYKQJLDKRCBN-UHFFFAOYSA-N 1 2 355.740 2.947 20 10 FFCDLO COC(=O)C[N@@H+](CCCOC(F)(F)F)Cc1cc(Cl)ccc1O ZINC001559607220 1076176809 /nfs/dbraw/zinc/17/68/09/1076176809.db2.gz DVEYKQJLDKRCBN-UHFFFAOYSA-N 1 2 355.740 2.947 20 10 FFCDLO C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589962160 1080905125 /nfs/dbraw/zinc/90/51/25/1080905125.db2.gz HCLBWWGDNUVMRP-OPQQBVKSSA-N 1 2 371.363 2.723 20 10 FFCDLO C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(-c2nn[nH]n2)c1O ZINC001589968921 1080911109 /nfs/dbraw/zinc/91/11/09/1080911109.db2.gz HUQXNPNHPNQJTR-LBPRGKRZSA-N 1 2 367.409 2.584 20 10 FFCDLO C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[nH]n2)c1O ZINC001589978613 1080917619 /nfs/dbraw/zinc/91/76/19/1080917619.db2.gz VRCBPFGUBVIQRJ-BMIGLBTASA-N 1 2 355.373 2.886 20 10 FFCDLO Cc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c(C)n1-c1ccccn1 ZINC000073745871 507950962 /nfs/dbraw/zinc/95/09/62/507950962.db2.gz MJIOJTUGPDZACK-UHFFFAOYSA-N 1 2 363.465 2.994 20 10 FFCDLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000076721246 508246079 /nfs/dbraw/zinc/24/60/79/508246079.db2.gz UZMDRSVGQIFWIZ-OAHLLOKOSA-N 1 2 360.458 2.888 20 10 FFCDLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000076721246 508246082 /nfs/dbraw/zinc/24/60/82/508246082.db2.gz UZMDRSVGQIFWIZ-OAHLLOKOSA-N 1 2 360.458 2.888 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000171145783 509968715 /nfs/dbraw/zinc/96/87/15/509968715.db2.gz QXGZOAPXMYFKFN-UHFFFAOYSA-N 1 2 373.526 2.627 20 10 FFCDLO CN(C)c1ccc(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000171145783 509968724 /nfs/dbraw/zinc/96/87/24/509968724.db2.gz QXGZOAPXMYFKFN-UHFFFAOYSA-N 1 2 373.526 2.627 20 10 FFCDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(O)c2O)C[C@@H](C)O1 ZINC000188212174 510650615 /nfs/dbraw/zinc/65/06/15/510650615.db2.gz WIEYTHIKHOTYJC-ZIAGYGMSSA-N 1 2 356.422 2.959 20 10 FFCDLO O=C1/C(=C/c2sccc2Cl)SC(=S)N1CC[NH+]1CCOCC1 ZINC000195220307 510722279 /nfs/dbraw/zinc/72/22/79/510722279.db2.gz PXZLATQSQHYVDK-XFXZXTDPSA-N 1 2 374.940 2.935 20 10 FFCDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1c(F)ccc(O)c1O ZINC000276508846 510939783 /nfs/dbraw/zinc/93/97/83/510939783.db2.gz DLXIDGAOIORAFN-UHFFFAOYSA-N 1 2 351.403 2.932 20 10 FFCDLO COc1c(O)c(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278291896 510988402 /nfs/dbraw/zinc/98/84/02/510988402.db2.gz UYTCDLBTSGWVNI-AWEZNQCLSA-N 1 2 372.425 2.583 20 10 FFCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000279932803 511272058 /nfs/dbraw/zinc/27/20/58/511272058.db2.gz NOHZBBQBOMJMMD-CQSZACIVSA-N 1 2 364.433 2.780 20 10 FFCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000279932803 511272064 /nfs/dbraw/zinc/27/20/64/511272064.db2.gz NOHZBBQBOMJMMD-CQSZACIVSA-N 1 2 364.433 2.780 20 10 FFCDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298607201 511345735 /nfs/dbraw/zinc/34/57/35/511345735.db2.gz SWCGJVRNJJOLDR-LJQANCHMSA-N 1 2 369.513 2.812 20 10 FFCDLO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000298899102 511446873 /nfs/dbraw/zinc/44/68/73/511446873.db2.gz MHRFQGNQKWQMMH-GOSISDBHSA-N 1 2 371.485 2.616 20 10 FFCDLO CC(=O)NCC[N@H+](Cc1cccc(Cl)c1O)[C@H](C)C(=O)OC(C)(C)C ZINC000272823292 511507903 /nfs/dbraw/zinc/50/79/03/511507903.db2.gz GWBQBWBWOZBIMB-GFCCVEGCSA-N 1 2 370.877 2.714 20 10 FFCDLO CC(=O)NCC[N@@H+](Cc1cccc(Cl)c1O)[C@H](C)C(=O)OC(C)(C)C ZINC000272823292 511507906 /nfs/dbraw/zinc/50/79/06/511507906.db2.gz GWBQBWBWOZBIMB-GFCCVEGCSA-N 1 2 370.877 2.714 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273424158 511526748 /nfs/dbraw/zinc/52/67/48/511526748.db2.gz SXZBKHWMBMWMGI-SMDDNHRTSA-N 1 2 350.346 2.530 20 10 FFCDLO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273592892 511545057 /nfs/dbraw/zinc/54/50/57/511545057.db2.gz PSEPNMYDGTVNQS-VOJFVSQTSA-N 1 2 362.382 2.702 20 10 FFCDLO O=C(c1c(F)ccc(O)c1O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000296227073 511663726 /nfs/dbraw/zinc/66/37/26/511663726.db2.gz KKNRXZULSJNARN-UHFFFAOYSA-N 1 2 359.401 2.790 20 10 FFCDLO Nc1nc(NCc2ccc(N3CCOCC3)c(F)c2)[nH+]c2ccccc12 ZINC000301889859 511703213 /nfs/dbraw/zinc/70/32/13/511703213.db2.gz QQKIOROUAKOPMP-UHFFFAOYSA-N 1 2 353.401 2.800 20 10 FFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369591730 512500604 /nfs/dbraw/zinc/50/06/04/512500604.db2.gz NJYAAMQUXFSLHF-UHFFFAOYSA-N 1 2 374.448 2.643 20 10 FFCDLO CC[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc(Cl)c1O ZINC000376902503 513040152 /nfs/dbraw/zinc/04/01/52/513040152.db2.gz JBKBYQVWPKVLTD-CDNVCLAFSA-N 1 2 365.861 2.807 20 10 FFCDLO CC[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc(Cl)c1O ZINC000376902506 513040211 /nfs/dbraw/zinc/04/02/11/513040211.db2.gz JBKBYQVWPKVLTD-VZSAFFHGSA-N 1 2 365.861 2.807 20 10 FFCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC(n4cc[nH+]c4)C3)ccc21 ZINC000524398460 516709805 /nfs/dbraw/zinc/70/98/05/516709805.db2.gz KPPCSHUXQYBZFD-UHFFFAOYSA-N 1 2 352.438 2.798 20 10 FFCDLO CN(c1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1)S(C)(=O)=O ZINC000898287107 735336694 /nfs/dbraw/zinc/33/66/94/735336694.db2.gz RBGURYKICRKCDO-UHFFFAOYSA-N 1 2 372.849 2.870 20 10 FFCDLO C[NH+]1CCN(Cc2cc(Br)cc(Br)c2O)CC1 ZINC000183368839 729302726 /nfs/dbraw/zinc/30/27/26/729302726.db2.gz NWOGJOLIPNNGFG-UHFFFAOYSA-N 1 2 364.081 2.665 20 10 FFCDLO CN(C)c1cc(F)c(C[NH2+]Cc2ccccc2S(C)(=O)=O)cc1F ZINC000858178365 730418861 /nfs/dbraw/zinc/41/88/61/730418861.db2.gz NCCRNJMRLWWQOC-UHFFFAOYSA-N 1 2 354.422 2.724 20 10 FFCDLO C[C@H]1CN=C(N2CC[NH+](Cc3c(O)cccc3Br)CC2)S1 ZINC000862248372 730681633 /nfs/dbraw/zinc/68/16/33/730681633.db2.gz LBZFXMOUORJVLW-NSHDSACASA-N 1 2 370.316 2.764 20 10 FFCDLO COC(=O)[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000781594451 738639146 /nfs/dbraw/zinc/63/91/46/738639146.db2.gz MVOHDYJDUYHJJQ-CJNGLKHVSA-N 1 2 354.397 2.798 20 10 FFCDLO C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)cc(F)c1O ZINC000927142487 738695944 /nfs/dbraw/zinc/69/59/44/738695944.db2.gz CLUCDIDFQGESKH-WCBMZHEXSA-N 1 2 369.238 2.630 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000882880731 733306409 /nfs/dbraw/zinc/30/64/09/733306409.db2.gz GKHZZMIJJARKEL-CYBMUJFWSA-N 1 2 362.239 2.969 20 10 FFCDLO OC[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)c1cccnc1 ZINC000883121067 733338046 /nfs/dbraw/zinc/33/80/46/733338046.db2.gz WTQSFESDJARWTO-GFCCVEGCSA-N 1 2 355.207 2.555 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000883197928 733349536 /nfs/dbraw/zinc/34/95/36/733349536.db2.gz WBXNUFFDCGFONO-CYBMUJFWSA-N 1 2 374.250 2.969 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000893993251 734783644 /nfs/dbraw/zinc/78/36/44/734783644.db2.gz CNEBTKSOEYNMPT-UHFFFAOYSA-N 1 2 360.223 2.879 20 10 FFCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897259150 735211637 /nfs/dbraw/zinc/21/16/37/735211637.db2.gz YEWWGFOPRZMZAD-CYBMUJFWSA-N 1 2 374.250 2.800 20 10 FFCDLO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3cccc(Cl)c3O)C2)CCC1 ZINC000897699633 735267157 /nfs/dbraw/zinc/26/71/57/735267157.db2.gz GRARMXIOQGWGKA-SFHVURJKSA-N 1 2 353.846 2.716 20 10 FFCDLO COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3cccc(Cl)c3O)C2)CCC1 ZINC000897699633 735267160 /nfs/dbraw/zinc/26/71/60/735267160.db2.gz GRARMXIOQGWGKA-SFHVURJKSA-N 1 2 353.846 2.716 20 10 FFCDLO C[C@H]([NH2+]CCCN1CCOC1=O)c1cc(Br)c(F)cc1O ZINC000756539873 736340015 /nfs/dbraw/zinc/34/00/15/736340015.db2.gz UVTZPDDYSZZSLF-VIFPVBQESA-N 1 2 361.211 2.787 20 10 FFCDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)cc(F)c1O ZINC000756641900 736349107 /nfs/dbraw/zinc/34/91/07/736349107.db2.gz ZFLLCZDFEWUWPU-QMMMGPOBSA-N 1 2 368.206 2.639 20 10 FFCDLO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000756739162 736357030 /nfs/dbraw/zinc/35/70/30/736357030.db2.gz UAEWKUPQWOOYGC-XPTSAGLGSA-N 1 2 362.239 2.732 20 10 FFCDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756775707 736360539 /nfs/dbraw/zinc/36/05/39/736360539.db2.gz RLXXJEZYZLHZOA-JQEORGNBSA-N 1 2 359.239 2.859 20 10 FFCDLO CN(C)C(=O)N1CC[N@H+](Cc2cc(Br)ccc2O)C(C)(C)C1 ZINC000761226462 736709507 /nfs/dbraw/zinc/70/95/07/736709507.db2.gz SEXJZNVOZQHNHV-UHFFFAOYSA-N 1 2 370.291 2.733 20 10 FFCDLO CN(C)C(=O)N1CC[N@@H+](Cc2cc(Br)ccc2O)C(C)(C)C1 ZINC000761226462 736709511 /nfs/dbraw/zinc/70/95/11/736709511.db2.gz SEXJZNVOZQHNHV-UHFFFAOYSA-N 1 2 370.291 2.733 20 10 FFCDLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000764952675 737067042 /nfs/dbraw/zinc/06/70/42/737067042.db2.gz BLNDUKPXSBMFHT-ACJLOTCBSA-N 1 2 360.479 2.758 20 10 FFCDLO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)cc(F)c1O ZINC000774384897 737985832 /nfs/dbraw/zinc/98/58/32/737985832.db2.gz RKCRUSQFLRFDAV-LLVKDONJSA-N 1 2 373.266 2.809 20 10 FFCDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775062598 738057806 /nfs/dbraw/zinc/05/78/06/738057806.db2.gz DELINJPGFQHPCX-UHFFFAOYSA-N 1 2 354.403 2.863 20 10 FFCDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775062598 738057811 /nfs/dbraw/zinc/05/78/11/738057811.db2.gz DELINJPGFQHPCX-UHFFFAOYSA-N 1 2 354.403 2.863 20 10 FFCDLO CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775495857 738097297 /nfs/dbraw/zinc/09/72/97/738097297.db2.gz DIUZVVSJEOMPEL-ZDUSSCGKSA-N 1 2 360.285 2.514 20 10 FFCDLO COC(=O)CCCN1C(=O)/C(=C\c2cc(OC)cc(C)[nH+]2)SC1=S ZINC000776727245 738226014 /nfs/dbraw/zinc/22/60/14/738226014.db2.gz TZWAJCGGYFUJOH-UKTHLTGXSA-N 1 2 366.464 2.553 20 10 FFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790131835 739420830 /nfs/dbraw/zinc/42/08/30/739420830.db2.gz MCPGGFIQTOVQPG-MRXNPFEDSA-N 1 2 361.511 2.948 20 10 FFCDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792824023 739710135 /nfs/dbraw/zinc/71/01/35/739710135.db2.gz XAYUGTKILWJWJP-LLVKDONJSA-N 1 2 352.422 2.636 20 10 FFCDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792824023 739710139 /nfs/dbraw/zinc/71/01/39/739710139.db2.gz XAYUGTKILWJWJP-LLVKDONJSA-N 1 2 352.422 2.636 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000793232577 739755791 /nfs/dbraw/zinc/75/57/91/739755791.db2.gz YUUXIWJIHBVGPC-BLLLJJGKSA-N 1 2 356.260 2.843 20 10 FFCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000793232577 739755795 /nfs/dbraw/zinc/75/57/95/739755795.db2.gz YUUXIWJIHBVGPC-BLLLJJGKSA-N 1 2 356.260 2.843 20 10 FFCDLO CCn1nccc1C[N@H+](CCO)Cc1cc(C)cc(Br)c1O ZINC000793307332 739764399 /nfs/dbraw/zinc/76/43/99/739764399.db2.gz MSIZQTLYFSNMTK-UHFFFAOYSA-N 1 2 368.275 2.674 20 10 FFCDLO CCn1nccc1C[N@@H+](CCO)Cc1cc(C)cc(Br)c1O ZINC000793307332 739764406 /nfs/dbraw/zinc/76/44/06/739764406.db2.gz MSIZQTLYFSNMTK-UHFFFAOYSA-N 1 2 368.275 2.674 20 10 FFCDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000805828466 741015664 /nfs/dbraw/zinc/01/56/64/741015664.db2.gz IMGODNVNTPYALX-AWEZNQCLSA-N 1 2 354.834 2.959 20 10 FFCDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000805828466 741015666 /nfs/dbraw/zinc/01/56/66/741015666.db2.gz IMGODNVNTPYALX-AWEZNQCLSA-N 1 2 354.834 2.959 20 10 FFCDLO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1ccc(Br)cc1O)C2 ZINC000826075434 743364822 /nfs/dbraw/zinc/36/48/22/743364822.db2.gz UNGKOBDVDPWKAU-OAHLLOKOSA-N 1 2 374.300 2.555 20 10 FFCDLO O=S1(=O)CC[C@]2(C1)CCC[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000826075434 743364827 /nfs/dbraw/zinc/36/48/27/743364827.db2.gz UNGKOBDVDPWKAU-OAHLLOKOSA-N 1 2 374.300 2.555 20 10 FFCDLO COCc1cc(CN[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000838944948 746742924 /nfs/dbraw/zinc/74/29/24/746742924.db2.gz QJWGQUPLCDCVRP-OAHLLOKOSA-N 1 2 365.861 2.934 20 10 FFCDLO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000839149299 746788650 /nfs/dbraw/zinc/78/86/50/746788650.db2.gz QHXZGTYHURDSLA-UHFFFAOYSA-N 1 2 372.849 2.773 20 10 FFCDLO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000840889165 747213643 /nfs/dbraw/zinc/21/36/43/747213643.db2.gz PITMIJNUDXOCQW-VIFPVBQESA-N 1 2 368.268 2.769 20 10 FFCDLO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c(Cl)c1 ZINC000840914624 747223168 /nfs/dbraw/zinc/22/31/68/747223168.db2.gz FLTSXVPTQNVOSU-LBPRGKRZSA-N 1 2 350.768 2.949 20 10 FFCDLO Cc1cc(O)c(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c(Cl)c1 ZINC000840914624 747223175 /nfs/dbraw/zinc/22/31/75/747223175.db2.gz FLTSXVPTQNVOSU-LBPRGKRZSA-N 1 2 350.768 2.949 20 10 FFCDLO C[C@H]([NH2+]CCCc1ncn(C)n1)c1cc(Br)c(F)cc1O ZINC000842904249 747717059 /nfs/dbraw/zinc/71/70/59/747717059.db2.gz UARKQYXRIXFOCG-VIFPVBQESA-N 1 2 357.227 2.706 20 10 FFCDLO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)c(F)cc1O ZINC000846205655 748430084 /nfs/dbraw/zinc/43/00/84/748430084.db2.gz JGNWMKIHTSABRE-NXEZZACHSA-N 1 2 371.250 2.955 20 10 FFCDLO COc1cccc(CC(=O)N2CC[NH+](Cc3c(O)cccc3Cl)CC2)c1 ZINC000120432404 959548310 /nfs/dbraw/zinc/54/83/10/959548310.db2.gz BHHZWNBBGFLUSJ-UHFFFAOYSA-N 1 2 374.868 2.941 20 10 FFCDLO O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000588408141 963727872 /nfs/dbraw/zinc/72/78/72/963727872.db2.gz SSZAIPKLRWEKPW-UTCJRWHESA-N 1 2 353.353 2.752 20 10 FFCDLO Cn1nc2c(c1C[N@H+](Cc1ccco1)Cc1ccccc1O)COCC2 ZINC000891393145 963821815 /nfs/dbraw/zinc/82/18/15/963821815.db2.gz AAPQOWPOZDBEJR-UHFFFAOYSA-N 1 2 353.422 2.994 20 10 FFCDLO Cn1nc2c(c1C[N@@H+](Cc1ccco1)Cc1ccccc1O)COCC2 ZINC000891393145 963821818 /nfs/dbraw/zinc/82/18/18/963821818.db2.gz AAPQOWPOZDBEJR-UHFFFAOYSA-N 1 2 353.422 2.994 20 10 FFCDLO Nc1ccc(NC(=O)Nc2ccc(NC(=O)Cc3c[nH]c[nH+]3)cc2)cc1 ZINC001176833125 1013783994 /nfs/dbraw/zinc/78/39/94/1013783994.db2.gz BDOPPNKISBOTAH-UHFFFAOYSA-N 1 2 350.382 2.817 20 10 FFCDLO CCCC[C@H](CC)C[N@@H+]1CCC2(CN(C(=O)c3cc(O)[nH]c(=O)c3)C2)C1 ZINC001271795845 974340503 /nfs/dbraw/zinc/34/05/03/974340503.db2.gz BJQONBOHAJSZBV-HNNXBMFYSA-N 1 2 361.486 2.857 20 10 FFCDLO CCCC[C@H](CC)C[N@H+]1CCC2(CN(C(=O)c3cc(O)[nH]c(=O)c3)C2)C1 ZINC001271795845 974340505 /nfs/dbraw/zinc/34/05/05/974340505.db2.gz BJQONBOHAJSZBV-HNNXBMFYSA-N 1 2 361.486 2.857 20 10 FFCDLO O=C1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)Cc2ccccc2N1 ZINC000877619319 1014648559 /nfs/dbraw/zinc/64/85/59/1014648559.db2.gz VVYXUIPHOOBHBG-UHFFFAOYSA-N 1 2 351.450 2.602 20 10 FFCDLO O=C1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)Cc2ccccc2N1 ZINC000877619319 1014648571 /nfs/dbraw/zinc/64/85/71/1014648571.db2.gz VVYXUIPHOOBHBG-UHFFFAOYSA-N 1 2 351.450 2.602 20 10 FFCDLO CCc1ccc(C[NH+]2CCN(C(=O)NCCc3ccc(N)cc3)CC2)s1 ZINC000841954887 982462519 /nfs/dbraw/zinc/46/25/19/982462519.db2.gz QMXRTIDASIYDLV-UHFFFAOYSA-N 1 2 372.538 2.963 20 10 FFCDLO Nc1ccc(CCNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000841959749 982467806 /nfs/dbraw/zinc/46/78/06/982467806.db2.gz QIKJSGJSSZZSPB-KRWDZBQOSA-N 1 2 367.497 2.933 20 10 FFCDLO O=C1C[N@H+](Cc2c(O)ccc3ccncc32)CCN1c1cccc(F)c1 ZINC000764952334 984857566 /nfs/dbraw/zinc/85/75/66/984857566.db2.gz YAWZVTHLRSNYMW-UHFFFAOYSA-N 1 2 351.381 2.928 20 10 FFCDLO O=C1C[N@@H+](Cc2c(O)ccc3ccncc32)CCN1c1cccc(F)c1 ZINC000764952334 984857581 /nfs/dbraw/zinc/85/75/81/984857581.db2.gz YAWZVTHLRSNYMW-UHFFFAOYSA-N 1 2 351.381 2.928 20 10 FFCDLO CCC(CC)[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)[NH+]1CCOCC1 ZINC000173132206 985759796 /nfs/dbraw/zinc/75/97/96/985759796.db2.gz UIGXORUGDZYBGM-LIRRHRJNSA-N 1 2 364.486 2.715 20 10 FFCDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NCc1c(O)cccc1F ZINC000913993995 987093937 /nfs/dbraw/zinc/09/39/37/987093937.db2.gz RHYKUEVMSNPTBI-UHFFFAOYSA-N 1 2 358.417 2.916 20 10 FFCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000153645822 988789426 /nfs/dbraw/zinc/78/94/26/988789426.db2.gz GDVYVYHVYZAKPR-LJQANCHMSA-N 1 2 354.454 2.819 20 10 FFCDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000915626253 988822832 /nfs/dbraw/zinc/82/28/32/988822832.db2.gz CWOPRIIYLVGSOZ-INIZCTEOSA-N 1 2 355.482 2.853 20 10 FFCDLO Cn1c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)nnc1C1CCC1 ZINC000181461154 991772694 /nfs/dbraw/zinc/77/26/94/991772694.db2.gz BMHDIOQHATZLNB-QGZVFWFLSA-N 1 2 356.470 2.969 20 10 FFCDLO Cn1c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nnc1C1CCC1 ZINC000181461154 991772704 /nfs/dbraw/zinc/77/27/04/991772704.db2.gz BMHDIOQHATZLNB-QGZVFWFLSA-N 1 2 356.470 2.969 20 10 FFCDLO Oc1cc(F)c(Br)cc1CN1CCC([NH+]2CCOCC2)CC1 ZINC001144298970 998285857 /nfs/dbraw/zinc/28/58/57/998285857.db2.gz NJSWLQFNVSJGJX-UHFFFAOYSA-N 1 2 373.266 2.590 20 10 FFCDLO CCOC(=O)C1([N@H+](Cc2ccccc2)Cc2c(O)cc(O)cc2O)CC1 ZINC001144519892 998618427 /nfs/dbraw/zinc/61/84/27/998618427.db2.gz CJJUYCORLBBEDX-UHFFFAOYSA-N 1 2 357.406 2.901 20 10 FFCDLO CCOC(=O)C1([N@@H+](Cc2ccccc2)Cc2c(O)cc(O)cc2O)CC1 ZINC001144519892 998618430 /nfs/dbraw/zinc/61/84/30/998618430.db2.gz CJJUYCORLBBEDX-UHFFFAOYSA-N 1 2 357.406 2.901 20 10 FFCDLO C[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738225051 999622780 /nfs/dbraw/zinc/62/27/80/999622780.db2.gz QPTSYKOCRKOZLL-OAHLLOKOSA-N 1 2 354.450 2.712 20 10 FFCDLO C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738225051 999622783 /nfs/dbraw/zinc/62/27/83/999622783.db2.gz QPTSYKOCRKOZLL-OAHLLOKOSA-N 1 2 354.450 2.712 20 10 FFCDLO CCC(CC)[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCOCC1 ZINC000742058303 999753646 /nfs/dbraw/zinc/75/36/46/999753646.db2.gz WUZVBWBSJOJNHN-LJQANCHMSA-N 1 2 365.493 2.645 20 10 FFCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000769231769 1000469612 /nfs/dbraw/zinc/46/96/12/1000469612.db2.gz HEBSGRVWGIFZHQ-UHFFFAOYSA-N 1 2 365.433 2.840 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1OC ZINC000790467863 1002394960 /nfs/dbraw/zinc/39/49/60/1002394960.db2.gz SHZVLJRXNMVWKS-QGZVFWFLSA-N 1 2 359.422 2.689 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1OC ZINC000790467863 1002394967 /nfs/dbraw/zinc/39/49/67/1002394967.db2.gz SHZVLJRXNMVWKS-QGZVFWFLSA-N 1 2 359.422 2.689 20 10 FFCDLO CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193247075 1004418380 /nfs/dbraw/zinc/41/83/80/1004418380.db2.gz JWBQZIBVOSDIJG-UHFFFAOYSA-N 1 2 368.861 2.561 20 10 FFCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NCCc3cccs3)CC2)cc1 ZINC000007905890 1005891407 /nfs/dbraw/zinc/89/14/07/1005891407.db2.gz WHNKQYIFTSHVTH-MRXNPFEDSA-N 1 2 373.522 2.626 20 10 FFCDLO COc1ccc(N2CC[C@@H](Nc3cc(N4CCSCC4)nc[nH+]3)C2)cc1 ZINC000853758597 1006527257 /nfs/dbraw/zinc/52/72/57/1006527257.db2.gz HZYZNHGFAWRGFZ-OAHLLOKOSA-N 1 2 371.510 2.729 20 10 FFCDLO COc1ccc(N2CC[C@@H](Nc3cc(N4CCSCC4)[nH+]cn3)C2)cc1 ZINC000853758597 1006527263 /nfs/dbraw/zinc/52/72/63/1006527263.db2.gz HZYZNHGFAWRGFZ-OAHLLOKOSA-N 1 2 371.510 2.729 20 10 FFCDLO C[NH+]1CCN(C(=O)c2ccc(NCc3cc(F)cc(F)c3O)cc2)CC1 ZINC000883142027 1006668385 /nfs/dbraw/zinc/66/83/85/1006668385.db2.gz WLIRRIFIAQTJDM-UHFFFAOYSA-N 1 2 361.392 2.670 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)C2)cc1 ZINC000854300542 1006766757 /nfs/dbraw/zinc/76/67/57/1006766757.db2.gz VLPUZMKNKHRDAQ-INIZCTEOSA-N 1 2 369.469 2.586 20 10 FFCDLO COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)C2)cc1 ZINC000854300542 1006766770 /nfs/dbraw/zinc/76/67/70/1006766770.db2.gz VLPUZMKNKHRDAQ-INIZCTEOSA-N 1 2 369.469 2.586 20 10 FFCDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001206236798 1032195841 /nfs/dbraw/zinc/19/58/41/1032195841.db2.gz DCAJOHWWWZNQIY-OAHLLOKOSA-N 1 2 363.811 2.642 20 10 FFCDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001206236798 1032195845 /nfs/dbraw/zinc/19/58/45/1032195845.db2.gz DCAJOHWWWZNQIY-OAHLLOKOSA-N 1 2 363.811 2.642 20 10 FFCDLO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000861663894 1009501625 /nfs/dbraw/zinc/50/16/25/1009501625.db2.gz OTFZJVADXOFKBO-KRWDZBQOSA-N 1 2 362.433 2.848 20 10 FFCDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000868162220 1011186816 /nfs/dbraw/zinc/18/68/16/1011186816.db2.gz FYXLCWHUNUHESR-IBGZPJMESA-N 1 2 354.454 2.600 20 10 FFCDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000868162220 1011186819 /nfs/dbraw/zinc/18/68/19/1011186819.db2.gz FYXLCWHUNUHESR-IBGZPJMESA-N 1 2 354.454 2.600 20 10 FFCDLO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000777512647 1017240063 /nfs/dbraw/zinc/24/00/63/1017240063.db2.gz JGUUHNZRKZKFHL-OAHLLOKOSA-N 1 2 359.449 2.683 20 10 FFCDLO CC(C)n1cc([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)nn1 ZINC000926558572 1018156896 /nfs/dbraw/zinc/15/68/96/1018156896.db2.gz GRSHPRYDEMWJFR-CYBMUJFWSA-N 1 2 365.428 2.825 20 10 FFCDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)[nH]n1 ZINC001137443293 1018485995 /nfs/dbraw/zinc/48/59/95/1018485995.db2.gz KIFZUQIOOSJJDB-GOSISDBHSA-N 1 2 354.454 2.691 20 10 FFCDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)[nH]n1 ZINC001137443293 1018486004 /nfs/dbraw/zinc/48/60/04/1018486004.db2.gz KIFZUQIOOSJJDB-GOSISDBHSA-N 1 2 354.454 2.691 20 10 FFCDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(N(C)C)cc2)nc1 ZINC000934344071 1021204803 /nfs/dbraw/zinc/20/48/03/1021204803.db2.gz GCNVWQMHOISHRG-FQEVSTJZSA-N 1 2 368.481 2.610 20 10 FFCDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(N(C)C)cc2)nc1 ZINC000934344071 1021204808 /nfs/dbraw/zinc/20/48/08/1021204808.db2.gz GCNVWQMHOISHRG-FQEVSTJZSA-N 1 2 368.481 2.610 20 10 FFCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)CC2)cc1F ZINC000753856545 1023390320 /nfs/dbraw/zinc/39/03/20/1023390320.db2.gz GQKCWZUESPDELJ-INIZCTEOSA-N 1 2 365.493 2.849 20 10 FFCDLO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1cccc2nonc21 ZINC000753924148 1023399112 /nfs/dbraw/zinc/39/91/12/1023399112.db2.gz NSRUYYMWEHWMAU-UHFFFAOYSA-N 1 2 372.450 2.928 20 10 FFCDLO Cn1ncc2c1C[N@H+](Cc1c(O)cccc1F)C[C@H]2COc1cccnc1 ZINC001137834735 1033169263 /nfs/dbraw/zinc/16/92/63/1033169263.db2.gz RELAAPUDQQILOP-AWEZNQCLSA-N 1 2 368.412 2.838 20 10 FFCDLO Cn1ncc2c1C[N@@H+](Cc1c(O)cccc1F)C[C@H]2COc1cccnc1 ZINC001137834735 1033169270 /nfs/dbraw/zinc/16/92/70/1033169270.db2.gz RELAAPUDQQILOP-AWEZNQCLSA-N 1 2 368.412 2.838 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000839921738 1026866701 /nfs/dbraw/zinc/86/67/01/1026866701.db2.gz MFTJUQWQXXDSER-UWJYYQICSA-N 1 2 373.541 2.752 20 10 FFCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000839921738 1026866709 /nfs/dbraw/zinc/86/67/09/1026866709.db2.gz MFTJUQWQXXDSER-UWJYYQICSA-N 1 2 373.541 2.752 20 10 FFCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000093006402 1027552714 /nfs/dbraw/zinc/55/27/14/1027552714.db2.gz ASGOVCJXYPVHNV-UHFFFAOYSA-N 1 2 359.420 2.989 20 10 FFCDLO CCOC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)Cc2cnn(CC3CC3)c21 ZINC001203877719 1030953220 /nfs/dbraw/zinc/95/32/20/1030953220.db2.gz WRKJGDYXKLIZFC-KRWDZBQOSA-N 1 2 357.454 2.840 20 10 FFCDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)Cc2cnn(CC3CC3)c21 ZINC001203877719 1030953227 /nfs/dbraw/zinc/95/32/27/1030953227.db2.gz WRKJGDYXKLIZFC-KRWDZBQOSA-N 1 2 357.454 2.840 20 10 FFCDLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328443 1031230032 /nfs/dbraw/zinc/23/00/32/1031230032.db2.gz VWMOHHLNBJKINB-KRWDZBQOSA-N 1 2 355.486 2.644 20 10 FFCDLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328443 1031230042 /nfs/dbraw/zinc/23/00/42/1031230042.db2.gz VWMOHHLNBJKINB-KRWDZBQOSA-N 1 2 355.486 2.644 20 10 FFCDLO O=C(c1cccnc1)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328660 1031230159 /nfs/dbraw/zinc/23/01/59/1031230159.db2.gz LTCRSTFJNNTLBQ-UHFFFAOYSA-N 1 2 350.466 2.640 20 10 FFCDLO CC(C)C1(C(C)C)NC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000799565685 1031806278 /nfs/dbraw/zinc/80/62/78/1031806278.db2.gz OBWKQLHZFZOJOJ-UHFFFAOYSA-N 1 2 360.502 2.745 20 10 FFCDLO CC(C)C1(C(C)C)NC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000799565685 1031806287 /nfs/dbraw/zinc/80/62/87/1031806287.db2.gz OBWKQLHZFZOJOJ-UHFFFAOYSA-N 1 2 360.502 2.745 20 10 FFCDLO CCOC(=O)C1CC[NH+](C2CCN(Cc3cccc(F)c3O)CC2)CC1 ZINC001138124062 1033801659 /nfs/dbraw/zinc/80/16/59/1033801659.db2.gz XOFUFJCXPVNIBR-UHFFFAOYSA-N 1 2 364.461 2.771 20 10 FFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001138125498 1033802364 /nfs/dbraw/zinc/80/23/64/1033802364.db2.gz QPUCDPQAXVQIAG-NLWGTHIKSA-N 1 2 358.413 2.875 20 10 FFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001138125498 1033802378 /nfs/dbraw/zinc/80/23/78/1033802378.db2.gz QPUCDPQAXVQIAG-NLWGTHIKSA-N 1 2 358.413 2.875 20 10 FFCDLO CCN(CC)c1ccc(C[NH+]2CCC(S(C)(=O)=O)CC2)c(OC)c1 ZINC001138389214 1034224590 /nfs/dbraw/zinc/22/45/90/1034224590.db2.gz FVPGCNQJQXTBOC-UHFFFAOYSA-N 1 2 354.516 2.550 20 10 FFCDLO Cc1nc([C@H]2CCC[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)no1 ZINC001139126374 1034956901 /nfs/dbraw/zinc/95/69/01/1034956901.db2.gz FDWFKHNHQDEEKC-ZDUSSCGKSA-N 1 2 355.394 2.878 20 10 FFCDLO Cc1nc([C@H]2CCC[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C2)no1 ZINC001139126374 1034956905 /nfs/dbraw/zinc/95/69/05/1034956905.db2.gz FDWFKHNHQDEEKC-ZDUSSCGKSA-N 1 2 355.394 2.878 20 10 FFCDLO CCOC(=O)N1CCC([N@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139130686 1034959933 /nfs/dbraw/zinc/95/99/33/1034959933.db2.gz HFVRXYBSCAOAKY-UHFFFAOYSA-N 1 2 374.437 2.860 20 10 FFCDLO CCOC(=O)N1CCC([N@@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139130686 1034959940 /nfs/dbraw/zinc/95/99/40/1034959940.db2.gz HFVRXYBSCAOAKY-UHFFFAOYSA-N 1 2 374.437 2.860 20 10 FFCDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001140339312 1035443720 /nfs/dbraw/zinc/44/37/20/1035443720.db2.gz HURABGSGJIEJPT-IBGZPJMESA-N 1 2 374.872 2.707 20 10 FFCDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001140339312 1035443723 /nfs/dbraw/zinc/44/37/23/1035443723.db2.gz HURABGSGJIEJPT-IBGZPJMESA-N 1 2 374.872 2.707 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1O ZINC001277232576 1035681320 /nfs/dbraw/zinc/68/13/20/1035681320.db2.gz URTREGWOAZVURX-BFUOFWGJSA-N 1 2 364.873 2.980 20 10 FFCDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1O ZINC001277232576 1035681324 /nfs/dbraw/zinc/68/13/24/1035681324.db2.gz URTREGWOAZVURX-BFUOFWGJSA-N 1 2 364.873 2.980 20 10 FFCDLO O=C1CC2(CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)Oc2ccccc21 ZINC001233013340 1036250778 /nfs/dbraw/zinc/25/07/78/1036250778.db2.gz PCBLPZCIZOKLSA-UHFFFAOYSA-N 1 2 355.390 2.803 20 10 FFCDLO O=C1CCCN1C1CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233029809 1036265927 /nfs/dbraw/zinc/26/59/27/1036265927.db2.gz IVBZULMYYGJKNI-UHFFFAOYSA-N 1 2 371.250 2.881 20 10 FFCDLO CCOC(=O)c1c(C[N@@H+]2[C@H]3CC[C@H](C3)[C@H]2C(=O)OC)c2ccccc2n1C ZINC001233273715 1036479893 /nfs/dbraw/zinc/47/98/93/1036479893.db2.gz OZEQTASHVKMEBL-GLJUWKHASA-N 1 2 370.449 2.881 20 10 FFCDLO CCOC(=O)c1c(C[N@H+]2[C@H]3CC[C@H](C3)[C@H]2C(=O)OC)c2ccccc2n1C ZINC001233273715 1036479898 /nfs/dbraw/zinc/47/98/98/1036479898.db2.gz OZEQTASHVKMEBL-GLJUWKHASA-N 1 2 370.449 2.881 20 10 FFCDLO COc1cc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(OC)c1 ZINC001141026428 1036756091 /nfs/dbraw/zinc/75/60/91/1036756091.db2.gz PUMBBNFHJIPIJQ-ZDUSSCGKSA-N 1 2 366.458 2.851 20 10 FFCDLO COc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(OC)c1 ZINC001141026428 1036756100 /nfs/dbraw/zinc/75/61/00/1036756100.db2.gz PUMBBNFHJIPIJQ-ZDUSSCGKSA-N 1 2 366.458 2.851 20 10 FFCDLO CN(C)c1ccc(CN2CC[C@]3(CCN(c4cccc[nH+]4)C3)C2=O)cc1 ZINC001277939984 1037507354 /nfs/dbraw/zinc/50/73/54/1037507354.db2.gz RPRVEFHKPAOMEN-OAQYLSRUSA-N 1 2 350.466 2.777 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507861 1037540944 /nfs/dbraw/zinc/54/09/44/1037540944.db2.gz RVMRKIRDDFHMON-BBATYDOGSA-N 1 2 368.836 2.587 20 10 FFCDLO CC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001277507861 1037540954 /nfs/dbraw/zinc/54/09/54/1037540954.db2.gz RVMRKIRDDFHMON-BBATYDOGSA-N 1 2 368.836 2.587 20 10 FFCDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)cc1O ZINC001231638950 1037760887 /nfs/dbraw/zinc/76/08/87/1037760887.db2.gz IWDKQLDFUZHNSI-GOSISDBHSA-N 1 2 351.349 2.958 20 10 FFCDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)cc1O ZINC001231638950 1037760901 /nfs/dbraw/zinc/76/09/01/1037760901.db2.gz IWDKQLDFUZHNSI-GOSISDBHSA-N 1 2 351.349 2.958 20 10 FFCDLO [O-]c1c(I)cccc1C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236240510 1037999868 /nfs/dbraw/zinc/99/98/68/1037999868.db2.gz MNSAHXKUSQSRQL-ZDUSSCGKSA-N 1 2 372.250 2.713 20 10 FFCDLO [O-]c1c(I)cccc1C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236240510 1037999874 /nfs/dbraw/zinc/99/98/74/1037999874.db2.gz MNSAHXKUSQSRQL-ZDUSSCGKSA-N 1 2 372.250 2.713 20 10 FFCDLO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccc(Cl)c2O)C1)N1CCCC1 ZINC001231910096 1038003799 /nfs/dbraw/zinc/00/37/99/1038003799.db2.gz KUGNNFCLGOEPDR-USXIJHARSA-N 1 2 364.873 2.647 20 10 FFCDLO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2cccc(Cl)c2O)C1)N1CCCC1 ZINC001231910096 1038003818 /nfs/dbraw/zinc/00/38/18/1038003818.db2.gz KUGNNFCLGOEPDR-USXIJHARSA-N 1 2 364.873 2.647 20 10 FFCDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2c(O)ccc(F)c2Cl)C1=O ZINC001278023163 1038330166 /nfs/dbraw/zinc/33/01/66/1038330166.db2.gz MQXFMEFVFIYGCQ-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2c(O)ccc(F)c2Cl)C1=O ZINC001278023163 1038330176 /nfs/dbraw/zinc/33/01/76/1038330176.db2.gz MQXFMEFVFIYGCQ-SFHVURJKSA-N 1 2 370.852 2.788 20 10 FFCDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001237115303 1038447981 /nfs/dbraw/zinc/44/79/81/1038447981.db2.gz QXBYKHDSJWYYMM-JTQLQIEISA-N 1 2 352.303 2.816 20 10 FFCDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001237115303 1038447987 /nfs/dbraw/zinc/44/79/87/1038447987.db2.gz QXBYKHDSJWYYMM-JTQLQIEISA-N 1 2 352.303 2.816 20 10 FFCDLO COc1cc(I)cc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c1O ZINC001248390779 1040253260 /nfs/dbraw/zinc/25/32/60/1040253260.db2.gz FPFFVVCXDULHFF-KCJUWKMLSA-N 1 2 365.186 2.795 20 10 FFCDLO COc1cc(I)cc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c1O ZINC001248390779 1040253269 /nfs/dbraw/zinc/25/32/69/1040253269.db2.gz FPFFVVCXDULHFF-KCJUWKMLSA-N 1 2 365.186 2.795 20 10 FFCDLO COc1cc(I)cc(C[N@@H+]2C[C@H](F)C[C@H]2C)c1O ZINC001248391061 1040253323 /nfs/dbraw/zinc/25/33/23/1040253323.db2.gz LKCKLBGUMSOCLL-PSASIEDQSA-N 1 2 365.186 2.938 20 10 FFCDLO COc1cc(I)cc(C[N@H+]2C[C@H](F)C[C@H]2C)c1O ZINC001248391061 1040253336 /nfs/dbraw/zinc/25/33/36/1040253336.db2.gz LKCKLBGUMSOCLL-PSASIEDQSA-N 1 2 365.186 2.938 20 10 FFCDLO COc1cc(I)cc(C[N@@H+]2CCC[C@@H]2CF)c1O ZINC001248409311 1040261995 /nfs/dbraw/zinc/26/19/95/1040261995.db2.gz RFLIXASUYXNYFP-LLVKDONJSA-N 1 2 365.186 2.939 20 10 FFCDLO COc1cc(I)cc(C[N@H+]2CCC[C@@H]2CF)c1O ZINC001248409311 1040262012 /nfs/dbraw/zinc/26/20/12/1040262012.db2.gz RFLIXASUYXNYFP-LLVKDONJSA-N 1 2 365.186 2.939 20 10 FFCDLO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCc3oc(C)nc3C2)c(O)c1 ZINC001249742933 1040973816 /nfs/dbraw/zinc/97/38/16/1040973816.db2.gz DPKRGOLGJXWLEM-UHFFFAOYSA-N 1 2 374.437 2.969 20 10 FFCDLO CCOC(=O)CCCOc1ccc(C[N@H+]2CCc3oc(C)nc3C2)c(O)c1 ZINC001249742933 1040973836 /nfs/dbraw/zinc/97/38/36/1040973836.db2.gz DPKRGOLGJXWLEM-UHFFFAOYSA-N 1 2 374.437 2.969 20 10 FFCDLO C[NH+](C)Cc1cccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261071349 1040978216 /nfs/dbraw/zinc/97/82/16/1040978216.db2.gz ZEFOOGAICKRKGQ-UHFFFAOYSA-N 1 2 366.830 2.739 20 10 FFCDLO Oc1ccc(F)cc1CN1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001279197596 1042941812 /nfs/dbraw/zinc/94/18/12/1042941812.db2.gz WOZSJISUDMLOBC-GASCZTMLSA-N 1 2 362.367 2.759 20 10 FFCDLO Oc1ccc(F)cc1CN1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001279197596 1042941818 /nfs/dbraw/zinc/94/18/18/1042941818.db2.gz WOZSJISUDMLOBC-GASCZTMLSA-N 1 2 362.367 2.759 20 10 FFCDLO Oc1ccc(F)cc1C[N@H+]1C[C@H]2CN(CCCC(F)(F)F)C[C@@H](C1)O2 ZINC001279197596 1042941821 /nfs/dbraw/zinc/94/18/21/1042941821.db2.gz WOZSJISUDMLOBC-GASCZTMLSA-N 1 2 362.367 2.759 20 10 FFCDLO Oc1ccc(F)cc1C[N@@H+]1C[C@H]2CN(CCCC(F)(F)F)C[C@@H](C1)O2 ZINC001279197596 1042941826 /nfs/dbraw/zinc/94/18/26/1042941826.db2.gz WOZSJISUDMLOBC-GASCZTMLSA-N 1 2 362.367 2.759 20 10 FFCDLO OC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@@H+]1Cc1ccccc1 ZINC001237620087 1043277392 /nfs/dbraw/zinc/27/73/92/1043277392.db2.gz SQYVIWNFAXGJEH-QGZVFWFLSA-N 1 2 364.848 2.863 20 10 FFCDLO OC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@H+]1Cc1ccccc1 ZINC001237620087 1043277399 /nfs/dbraw/zinc/27/73/99/1043277399.db2.gz SQYVIWNFAXGJEH-QGZVFWFLSA-N 1 2 364.848 2.863 20 10 FFCDLO CC(C)(C[NH3+])c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC001237650188 1043293032 /nfs/dbraw/zinc/29/30/32/1043293032.db2.gz MKSGVIXEVIPJSJ-UHFFFAOYSA-N 1 2 362.480 2.728 20 10 FFCDLO Oc1ccc(C(F)(F)F)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001279686452 1043469676 /nfs/dbraw/zinc/46/96/76/1043469676.db2.gz ZPIZFJWBBVRZLT-IYBDPMFKSA-N 1 2 366.387 2.983 20 10 FFCDLO Oc1ccc(C(F)(F)F)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001279686452 1043469679 /nfs/dbraw/zinc/46/96/79/1043469679.db2.gz ZPIZFJWBBVRZLT-IYBDPMFKSA-N 1 2 366.387 2.983 20 10 FFCDLO O=C(Nc1ccc(O)cc1O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001280291662 1044557857 /nfs/dbraw/zinc/55/78/57/1044557857.db2.gz AOCPMDZTRQUZCB-HXPMCKFVSA-N 1 2 358.369 2.546 20 10 FFCDLO O=C(Nc1ccc(O)cc1O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001280291662 1044557867 /nfs/dbraw/zinc/55/78/67/1044557867.db2.gz AOCPMDZTRQUZCB-HXPMCKFVSA-N 1 2 358.369 2.546 20 10 FFCDLO Cc1cc(N2CCN(C(=O)NCc3ccc(N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001353538744 1056511971 /nfs/dbraw/zinc/51/19/71/1056511971.db2.gz AFWBFRYPNUIESS-UHFFFAOYSA-N 1 2 368.485 2.522 20 10 FFCDLO Cc1cccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)c1F ZINC001200782434 1059485453 /nfs/dbraw/zinc/48/54/53/1059485453.db2.gz IAEVVNQHCBZUAL-UHFFFAOYSA-N 1 2 363.458 2.687 20 10 FFCDLO COc1ccc(C[N@@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c(O)c1OC ZINC001462671644 1061717261 /nfs/dbraw/zinc/71/72/61/1061717261.db2.gz FBGHXBUZJNCEQG-UHFFFAOYSA-N 1 2 364.442 2.605 20 10 FFCDLO COc1ccc(C[N@H+]2CCC23CN(C(=O)OC(C)(C)C)C3)c(O)c1OC ZINC001462671644 1061717280 /nfs/dbraw/zinc/71/72/80/1061717280.db2.gz FBGHXBUZJNCEQG-UHFFFAOYSA-N 1 2 364.442 2.605 20 10 FFCDLO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC001477785640 1061798475 /nfs/dbraw/zinc/79/84/75/1061798475.db2.gz XPBRBVRUMBCDRD-UHFFFAOYSA-N 1 2 374.529 2.539 20 10 FFCDLO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC001477785640 1061798494 /nfs/dbraw/zinc/79/84/94/1061798494.db2.gz XPBRBVRUMBCDRD-UHFFFAOYSA-N 1 2 374.529 2.539 20 10 FFCDLO COc1cccc(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1O ZINC001471181245 1064591436 /nfs/dbraw/zinc/59/14/36/1064591436.db2.gz UJVFJPSQNPASMO-KRWDZBQOSA-N 1 2 366.421 2.838 20 10 FFCDLO COC(=O)N1CCN(c2ccc(NCc3ccc(C)cc3O)c[nH+]2)CC1 ZINC001560846254 1076303978 /nfs/dbraw/zinc/30/39/78/1076303978.db2.gz COFPBUVNKGYPGP-UHFFFAOYSA-N 1 2 356.426 2.596 20 10 FFCDLO C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1O ZINC001589963334 1080906423 /nfs/dbraw/zinc/90/64/23/1080906423.db2.gz WHKQUMLNWXHJRX-KWBADKCTSA-N 1 2 371.363 2.723 20 10 FFCDLO COc1ccc(N2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1F ZINC000084866635 508295307 /nfs/dbraw/zinc/29/53/07/508295307.db2.gz WDHCIZOJITUEKB-UHFFFAOYSA-N 1 2 358.373 2.800 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000128097311 508546962 /nfs/dbraw/zinc/54/69/62/508546962.db2.gz VDNFDLFVDSIGOZ-QGZVFWFLSA-N 1 2 353.470 2.568 20 10 FFCDLO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153193677 508557154 /nfs/dbraw/zinc/55/71/54/508557154.db2.gz DTPNJICYMXFSGY-KRWDZBQOSA-N 1 2 354.454 2.988 20 10 FFCDLO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153193580 508557291 /nfs/dbraw/zinc/55/72/91/508557291.db2.gz DTPNJICYMXFSGY-QGZVFWFLSA-N 1 2 354.454 2.988 20 10 FFCDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccc(N2CC=CC2)cc1 ZINC000125352964 508970562 /nfs/dbraw/zinc/97/05/62/508970562.db2.gz HCNQHNGQXVPUIP-UHFFFAOYSA-N 1 2 365.481 2.638 20 10 FFCDLO COc1cc(Br)cc(C[N@@H+]2CCOC3(CCOCC3)C2)c1O ZINC000180525752 509965472 /nfs/dbraw/zinc/96/54/72/509965472.db2.gz RZHWEKHSEVKLHR-UHFFFAOYSA-N 1 2 372.259 2.545 20 10 FFCDLO COc1cc(Br)cc(C[N@H+]2CCOC3(CCOCC3)C2)c1O ZINC000180525752 509965477 /nfs/dbraw/zinc/96/54/77/509965477.db2.gz RZHWEKHSEVKLHR-UHFFFAOYSA-N 1 2 372.259 2.545 20 10 FFCDLO COC(=O)COc1ccc(N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000183813913 509988390 /nfs/dbraw/zinc/98/83/90/509988390.db2.gz AMZFNLOFFPOHBR-UHFFFAOYSA-N 1 2 357.332 2.634 20 10 FFCDLO OCCCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000194531132 510411771 /nfs/dbraw/zinc/41/17/71/510411771.db2.gz QLNQDYQFSRXXHM-UHFFFAOYSA-N 1 2 353.054 2.779 20 10 FFCDLO COc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1O ZINC000184672232 510453107 /nfs/dbraw/zinc/45/31/07/510453107.db2.gz YIHLCLWESRQSLW-UHFFFAOYSA-N 1 2 350.802 2.605 20 10 FFCDLO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178729362 510741428 /nfs/dbraw/zinc/74/14/28/510741428.db2.gz ORIRMVHEXYUMBP-SFHVURJKSA-N 1 2 365.481 2.760 20 10 FFCDLO COc1c(O)c(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)ccc1[N+](=O)[O-] ZINC000364469707 510883418 /nfs/dbraw/zinc/88/34/18/510883418.db2.gz YSDOEOQTMSRXKR-LLVKDONJSA-N 1 2 352.293 2.811 20 10 FFCDLO CCCC[N@H+](Cc1nnnn1CC1CCOCC1)Cc1ccccc1O ZINC000282392551 510958307 /nfs/dbraw/zinc/95/83/07/510958307.db2.gz HAOQTKKJNYPAKS-UHFFFAOYSA-N 1 2 359.474 2.608 20 10 FFCDLO CCCC[N@@H+](Cc1nnnn1CC1CCOCC1)Cc1ccccc1O ZINC000282392551 510958311 /nfs/dbraw/zinc/95/83/11/510958311.db2.gz HAOQTKKJNYPAKS-UHFFFAOYSA-N 1 2 359.474 2.608 20 10 FFCDLO OC1CCN(c2ccc(CNc3cc(N4CCCC4)nc[nH+]3)cc2F)CC1 ZINC000277387980 510962257 /nfs/dbraw/zinc/96/22/57/510962257.db2.gz IRUORCUJVABZSY-UHFFFAOYSA-N 1 2 371.460 2.789 20 10 FFCDLO OC1CCN(c2ccc(CNc3cc(N4CCCC4)[nH+]cn3)cc2F)CC1 ZINC000277387980 510962262 /nfs/dbraw/zinc/96/22/62/510962262.db2.gz IRUORCUJVABZSY-UHFFFAOYSA-N 1 2 371.460 2.789 20 10 FFCDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000278750713 511006724 /nfs/dbraw/zinc/00/67/24/511006724.db2.gz SDXWIMXZGJCXSU-FZMZJTMJSA-N 1 2 364.269 2.545 20 10 FFCDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000278750713 511006726 /nfs/dbraw/zinc/00/67/26/511006726.db2.gz SDXWIMXZGJCXSU-FZMZJTMJSA-N 1 2 364.269 2.545 20 10 FFCDLO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000285850177 511015209 /nfs/dbraw/zinc/01/52/09/511015209.db2.gz ZCPFPAWGUKRPPT-JOYOIKCWSA-N 1 2 354.319 2.584 20 10 FFCDLO CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1O ZINC000287529817 511052384 /nfs/dbraw/zinc/05/23/84/511052384.db2.gz DPRUMNPMGUCUSE-MRXNPFEDSA-N 1 2 368.886 2.976 20 10 FFCDLO CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Cl)cc(Cl)c1O ZINC000287611819 511054457 /nfs/dbraw/zinc/05/44/57/511054457.db2.gz JGNQGLSCOMAOTA-ZDUSSCGKSA-N 1 2 370.298 2.801 20 10 FFCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccn2cc[nH+]c2c1 ZINC000290579996 511146247 /nfs/dbraw/zinc/14/62/47/511146247.db2.gz FUQNGHLZSFCVCZ-UHFFFAOYSA-N 1 2 369.400 2.632 20 10 FFCDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000362738270 511228848 /nfs/dbraw/zinc/22/88/48/511228848.db2.gz TVRUCRSBTPJNNB-QGZVFWFLSA-N 1 2 353.470 2.502 20 10 FFCDLO C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000365240033 511336396 /nfs/dbraw/zinc/33/63/96/511336396.db2.gz GUOXRHZAWCXHGH-CZUORRHYSA-N 1 2 355.885 2.643 20 10 FFCDLO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273394988 511525090 /nfs/dbraw/zinc/52/50/90/511525090.db2.gz LSGCOJJBQZABNZ-ZDUSSCGKSA-N 1 2 373.409 2.666 20 10 FFCDLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273484375 511528908 /nfs/dbraw/zinc/52/89/08/511528908.db2.gz MZAZLOCDKNUHHP-LBPRGKRZSA-N 1 2 364.423 2.945 20 10 FFCDLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000284089181 511601154 /nfs/dbraw/zinc/60/11/54/511601154.db2.gz SNVLIKOZOBDCBO-SMDADKPZSA-N 1 2 362.380 2.810 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000281457557 511855854 /nfs/dbraw/zinc/85/58/54/511855854.db2.gz QYAMNCHFJAWJAM-HXUWFJFHSA-N 1 2 369.513 2.672 20 10 FFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000281457557 511855859 /nfs/dbraw/zinc/85/58/59/511855859.db2.gz QYAMNCHFJAWJAM-HXUWFJFHSA-N 1 2 369.513 2.672 20 10 FFCDLO