smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2cc(OC)ccc2O1 ZINC000012453646 1129943157 /nfs/dbraw/zinc/94/31/57/1129943157.db2.gz HJWHXLJRJQNYRM-INIZCTEOSA-N 1 0 343.423 3.583 50 10 EHCARO COc1ccc2ccc(O)c(C[NH+]3CCN(c4ccccc4)CC3)c2c1 ZINC000022384856 212294710 /nfs/dbraw/zinc/29/47/10/212294710.db2.gz ONSSVDAUOPJQLJ-UHFFFAOYSA-N 1 0 348.446 3.876 50 10 EHCARO Cc1c([C@@H](C)[NH2+]Cc2ccccc2O)cnn1-c1ccc(F)cc1 ZINC000071792566 203113579 /nfs/dbraw/zinc/11/35/79/203113579.db2.gz GEJIWEJSQSJSOK-CYBMUJFWSA-N 1 0 325.387 3.876 50 10 EHCARO CC[n+]1ccc(/N=N/S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000004822372 210288039 /nfs/dbraw/zinc/28/80/39/210288039.db2.gz QCIRHGRHDAJVNQ-UHFFFAOYSA-N 1 0 326.401 3.620 50 10 EHCARO Cc1cccc([N+]2=C3SCCCN3[C@](O)(c3cccs3)C2)c1C ZINC000003912330 564060404 /nfs/dbraw/zinc/06/04/04/564060404.db2.gz GXLZZTUVWOPANS-GOSISDBHSA-N 1 0 345.513 3.536 50 10 EHCARO Cc1oc2ccc(O)c(C[NH+]3CCCC3)c2c1C(=O)NC1CCCC1 ZINC000005182483 1033406394 /nfs/dbraw/zinc/40/63/94/1033406394.db2.gz RCNRZMSOQTYBRP-UHFFFAOYSA-N 1 0 342.439 3.715 50 10 EHCARO Cc1cc([C@H](C)c2ccccc2)c(O)c(C[NH+]2CCOCC2)c1C ZINC000019857274 202024406 /nfs/dbraw/zinc/02/44/06/202024406.db2.gz DHODRICJAWWBRG-QGZVFWFLSA-N 1 0 325.452 3.993 50 10 EHCARO CC[C@H](Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1O ZINC000157325080 206129329 /nfs/dbraw/zinc/12/93/29/206129329.db2.gz GSRKNWDUUIZULS-IBGZPJMESA-N 1 0 340.467 3.912 50 10 EHCARO COc1ccc(N2CC[NH+](Cc3cnoc3-c3ccccc3)CC2)cc1 ZINC000065288898 564104712 /nfs/dbraw/zinc/10/47/12/564104712.db2.gz SPZXLFZXESYFSQ-UHFFFAOYSA-N 1 0 349.434 3.672 50 10 EHCARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(C)c2O)C1 ZINC000089983563 564115984 /nfs/dbraw/zinc/11/59/84/564115984.db2.gz YDQQPPKREAZGQY-HNNXBMFYSA-N 1 0 333.472 3.773 50 10 EHCARO Cc1ccc(SC[C@H]2C[NH2+][C@@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000057851488 564156184 /nfs/dbraw/zinc/15/61/84/564156184.db2.gz MGKNDNROQRNEFK-IEBWSBKVSA-N 1 0 328.481 3.840 50 10 EHCARO COc1ccc(OCC[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000008395599 564165095 /nfs/dbraw/zinc/16/50/95/564165095.db2.gz OTSIBUBEMKNHRO-UHFFFAOYSA-N 1 0 340.467 3.854 50 10 EHCARO COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(C)C)C2)c1O ZINC000020773898 202054689 /nfs/dbraw/zinc/05/46/89/202054689.db2.gz RAGULENTXJTUKK-AWEZNQCLSA-N 1 0 329.444 3.627 50 10 EHCARO COc1cc(C)cc(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c1O ZINC000164321514 564013837 /nfs/dbraw/zinc/01/38/37/564013837.db2.gz PKCSRDOBAQURJA-HNNXBMFYSA-N 1 0 332.469 3.984 50 10 EHCARO COc1ccccc1CC[NH2+]Cc1cc(-c2ccccn2)ccc1O ZINC000020599744 1018190000 /nfs/dbraw/zinc/19/00/00/1018190000.db2.gz IEKUUMLNHRXOTG-UHFFFAOYSA-N 1 0 334.419 3.795 50 10 EHCARO Oc1ccc(Br)cc1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000022204743 1018498939 /nfs/dbraw/zinc/49/89/39/1018498939.db2.gz DUDJJSRTYYNMHC-MRXNPFEDSA-N 1 0 343.224 3.871 50 10 EHCARO O[C@]1(c2ccc(Cl)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000017191408 563839935 /nfs/dbraw/zinc/83/99/35/563839935.db2.gz QFYGBMHSGIOUDT-SFHVURJKSA-N 1 0 345.875 3.511 50 10 EHCARO c1ccc2c(c1)SCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000008428759 564165274 /nfs/dbraw/zinc/16/52/74/564165274.db2.gz WGWDSQHHEKDGQQ-IBGZPJMESA-N 1 0 340.492 3.850 50 10 EHCARO Cc1noc([C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)c(C)c3)C2)n1 ZINC000408519728 563993100 /nfs/dbraw/zinc/99/31/00/563993100.db2.gz VXZKLSZGOYKGAU-SFHVURJKSA-N 1 0 340.471 3.666 50 10 EHCARO C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3 ZINC000002549605 564150660 /nfs/dbraw/zinc/15/06/60/564150660.db2.gz DXYXRSDPVQPTJR-ZDUSSCGKSA-N 1 0 327.424 3.752 50 10 EHCARO CCOC(=O)C1CC[NH+](Cc2cc(Cl)c3ccccc3c2O)CC1 ZINC000003402279 564157950 /nfs/dbraw/zinc/15/79/50/564157950.db2.gz XQLRTDZVVXSDTE-UHFFFAOYSA-N 1 0 347.842 3.974 50 10 EHCARO CCOc1cc2c(cc1OC)[C@@H](c1cc(Cl)ccc1O)[NH2+]CC2 ZINC000019831623 202022821 /nfs/dbraw/zinc/02/28/21/202022821.db2.gz GBOYOTBDUIXBCB-SFHVURJKSA-N 1 0 333.815 3.688 50 10 EHCARO Cc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000065297858 564104836 /nfs/dbraw/zinc/10/48/36/564104836.db2.gz HASAJFUFSFELJK-HXUWFJFHSA-N 1 0 349.478 3.646 50 10 biogenic EHCARO Cc1cc(O)c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000022932817 202095497 /nfs/dbraw/zinc/09/54/97/202095497.db2.gz PIGVIZZFNABFSE-RMKNXTFCSA-N 1 0 336.479 3.840 50 10 EHCARO CC[C@H]([NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000156912474 206105509 /nfs/dbraw/zinc/10/55/09/206105509.db2.gz CPESEZYJNYEXHY-GJZGRUSLSA-N 1 0 325.330 3.584 50 10 EHCARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000012533193 207166747 /nfs/dbraw/zinc/16/67/47/207166747.db2.gz DXDCWYSUISRDOQ-UHFFFAOYSA-N 1 0 334.467 3.845 50 10 EHCARO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066970186 564164890 /nfs/dbraw/zinc/16/48/90/564164890.db2.gz YIABXQJALPUILN-HNNXBMFYSA-N 1 0 344.430 3.522 50 10 EHCARO c1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952971957 1137484265 /nfs/dbraw/zinc/48/42/65/1137484265.db2.gz VYOQBLBDHOBXOB-IBGZPJMESA-N 1 0 336.435 3.661 50 10 EHCARO CCOc1ccc(O)c(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000078394087 202389744 /nfs/dbraw/zinc/38/97/44/202389744.db2.gz XUBDRVKSUNVUMI-CYBMUJFWSA-N 1 0 328.412 3.600 50 10 EHCARO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000078394083 202390653 /nfs/dbraw/zinc/39/06/53/202390653.db2.gz XUBDRVKSUNVUMI-ZDUSSCGKSA-N 1 0 328.412 3.600 50 10 EHCARO CC[C@H]([NH2+][C@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000156912754 206106522 /nfs/dbraw/zinc/10/65/22/206106522.db2.gz CPESEZYJNYEXHY-LSDHHAIUSA-N 1 0 325.330 3.584 50 10 EHCARO Cc1cccc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1C ZINC000053151156 132186740 /nfs/dbraw/zinc/18/67/40/132186740.db2.gz SQRCWRSYYZNICO-UHFFFAOYSA-N 1 0 330.859 3.985 50 10 EHCARO COc1ccc(N2CCC([NH2+][C@H](C)CCCC(C)(C)O)CC2)cc1 ZINC000020779013 563860021 /nfs/dbraw/zinc/86/00/21/563860021.db2.gz LHVQWIHMGOYYNC-MRXNPFEDSA-N 1 0 334.504 3.583 50 10 EHCARO CCOc1cccc(C[N@H+](Cc2ccsc2)[C@H](CC)CO)c1O ZINC000055307999 563934285 /nfs/dbraw/zinc/93/42/85/563934285.db2.gz SMQJBJQDUIRDSK-MRXNPFEDSA-N 1 0 335.469 3.626 50 10 EHCARO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000075612510 564089859 /nfs/dbraw/zinc/08/98/59/564089859.db2.gz JSGKMIJVSGULQM-FQEVSTJZSA-N 1 0 348.487 3.651 50 10 EHCARO CC[C@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1ccccc1O ZINC000095940785 564142014 /nfs/dbraw/zinc/14/20/14/564142014.db2.gz SCPOEKPLWIWJCU-FQEVSTJZSA-N 1 0 339.483 3.535 50 10 EHCARO CN(C)c1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1F ZINC000069898441 203062688 /nfs/dbraw/zinc/06/26/88/203062688.db2.gz MQQVIXQFJUPYIS-UHFFFAOYSA-N 1 0 346.421 3.826 50 10 EHCARO COc1cc(Br)cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC000004988648 563517872 /nfs/dbraw/zinc/51/78/72/563517872.db2.gz CQTBQBLBDYGNTD-QWRGUYRKSA-N 1 0 328.250 3.641 50 10 EHCARO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1O ZINC000072312080 563920208 /nfs/dbraw/zinc/92/02/08/563920208.db2.gz NNUMUVAFWHJDAB-QGZVFWFLSA-N 1 0 344.842 3.935 50 10 EHCARO Cc1ccc(O)c(C[NH+]2CCC([C@H](O)Cc3ccccc3)CC2)c1 ZINC000065383138 563959058 /nfs/dbraw/zinc/95/90/58/563959058.db2.gz RWWRAXCKLXUBDD-OAQYLSRUSA-N 1 0 325.452 3.516 50 10 EHCARO Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3nc(CC(C)C)no3)C2)c1 ZINC000065533788 563961956 /nfs/dbraw/zinc/96/19/56/563961956.db2.gz IIWJLXJGTOGXNR-HNNXBMFYSA-N 1 0 329.444 3.662 50 10 EHCARO COc1ccc(C[N@H+](C)Cc2cc(C)c(C)cc2O)c(OC)c1OC ZINC000008428230 564165225 /nfs/dbraw/zinc/16/52/25/564165225.db2.gz XKHCLCXWYJPCCS-UHFFFAOYSA-N 1 0 345.439 3.667 50 10 EHCARO CN(C)c1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000006871512 563589840 /nfs/dbraw/zinc/58/98/40/563589840.db2.gz XTMPBWIBYYPOMU-UHFFFAOYSA-N 1 0 348.834 3.516 50 10 EHCARO COc1cccc(C[N@@H+]2CCC[C@H](Nc3cccc(F)c3)C2)c1O ZINC000012753677 563670161 /nfs/dbraw/zinc/67/01/61/563670161.db2.gz SDYSNRLYTMXSSH-KRWDZBQOSA-N 1 0 330.403 3.616 50 10 EHCARO O=C(Nc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1)c1ccco1 ZINC000058203400 563939817 /nfs/dbraw/zinc/93/98/17/563939817.db2.gz KOMABFXKJRNELS-UHFFFAOYSA-N 1 0 348.402 3.757 50 10 EHCARO CCN(CC)c1ccc([C@H]2[NH2+]C[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000000183610 563987915 /nfs/dbraw/zinc/98/79/15/563987915.db2.gz PKLBKECPTTUKNK-OALUTQOASA-N 1 0 341.411 3.801 50 10 EHCARO CC(=O)c1ccc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000009157641 564170725 /nfs/dbraw/zinc/17/07/25/564170725.db2.gz IZURPQMWTRWWRX-UHFFFAOYSA-N 1 0 338.451 3.534 50 10 EHCARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000015581966 201958015 /nfs/dbraw/zinc/95/80/15/201958015.db2.gz UBFIXJRYUUQONO-UHFFFAOYSA-N 1 0 348.494 3.904 50 10 EHCARO CCOCc1cc(C[NH2+][C@H]2CCCc3c2cnn3CC)ccc1OC ZINC000072298402 202362924 /nfs/dbraw/zinc/36/29/24/202362924.db2.gz YTAXPWNEDOHXAJ-SFHVURJKSA-N 1 0 343.471 3.615 50 10 EHCARO Cc1cc(O)c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1C ZINC000071886817 203138358 /nfs/dbraw/zinc/13/83/58/203138358.db2.gz BXQAESMPEBOYST-UHFFFAOYSA-N 1 0 329.415 3.944 50 10 EHCARO O[C@@]1(c2ccc(Cl)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000017191404 563839699 /nfs/dbraw/zinc/83/96/99/563839699.db2.gz QFYGBMHSGIOUDT-GOSISDBHSA-N 1 0 345.875 3.511 50 10 EHCARO CCOc1ccc(-c2c[nH]c(-c3ccc(O)c(C[NH+](C)C)c3)n2)cc1 ZINC000065372372 563958624 /nfs/dbraw/zinc/95/86/24/563958624.db2.gz PXSFTZODZYRWCG-UHFFFAOYSA-N 1 0 337.423 3.910 50 10 EHCARO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)ccc2ccccc21 ZINC000012785012 564070229 /nfs/dbraw/zinc/07/02/29/564070229.db2.gz UARDHAINVJRHSG-UHFFFAOYSA-N 1 0 335.403 3.949 50 10 EHCARO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCC(O)CC3)cc2)s1 ZINC000095420457 564139900 /nfs/dbraw/zinc/13/99/00/564139900.db2.gz XOEGIUDEONAZKQ-OAHLLOKOSA-N 1 0 330.497 3.868 50 10 EHCARO Cc1ccc(C(C)C)c(O)c1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000095996994 564144301 /nfs/dbraw/zinc/14/43/01/564144301.db2.gz VZMNAYBXVJVILN-KRWDZBQOSA-N 1 0 344.499 3.562 50 10 EHCARO COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(C)C)C1 ZINC000023129897 202099344 /nfs/dbraw/zinc/09/93/44/202099344.db2.gz YHFJHAHJSVGFCZ-AWEZNQCLSA-N 1 0 329.444 3.627 50 10 EHCARO Oc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000069566358 203019308 /nfs/dbraw/zinc/01/93/08/203019308.db2.gz HDFMBXRBPULTTP-LJQANCHMSA-N 1 0 333.435 3.804 50 10 EHCARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000012031321 563652660 /nfs/dbraw/zinc/65/26/60/563652660.db2.gz RLYROAHXBFCSPX-HNNXBMFYSA-N 1 0 343.398 3.635 50 10 EHCARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 ZINC000004553989 563778048 /nfs/dbraw/zinc/77/80/48/563778048.db2.gz LMOBRUJBCKABEJ-INIZCTEOSA-N 1 0 343.452 3.649 50 10 EHCARO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nc(CC(C)C)no3)C2)c1 ZINC000065533793 563961940 /nfs/dbraw/zinc/96/19/40/563961940.db2.gz IIWJLXJGTOGXNR-OAHLLOKOSA-N 1 0 329.444 3.662 50 10 EHCARO Cc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@H](c3ccccc3O)C2)cc1 ZINC000065297856 564104830 /nfs/dbraw/zinc/10/48/30/564104830.db2.gz HASAJFUFSFELJK-FQEVSTJZSA-N 1 0 349.478 3.646 50 10 biogenic EHCARO CC[C@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1ccccc1O ZINC000155654663 564139591 /nfs/dbraw/zinc/13/95/91/564139591.db2.gz RISINNULPSCKHI-KRWDZBQOSA-N 1 0 331.387 3.681 50 10 EHCARO COCc1csc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000850378094 1122202546 /nfs/dbraw/zinc/20/25/46/1122202546.db2.gz RCWQXKWKEZOCIF-UHFFFAOYSA-N 1 0 342.258 3.652 50 10 EHCARO CCOc1cccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000078394099 202390688 /nfs/dbraw/zinc/39/06/88/202390688.db2.gz ZLNRBJZLYGBNEP-AWEZNQCLSA-N 1 0 345.439 3.967 50 10 EHCARO Cc1ccc(C[NH+]2CCC(n3cc(C4CCCC4)nn3)CC2)c(O)c1 ZINC000020167223 212108212 /nfs/dbraw/zinc/10/82/12/212108212.db2.gz CKTKCIOCAHAFOP-UHFFFAOYSA-N 1 0 340.471 3.787 50 10 EHCARO Cn1c2ccccc2sc1=NN=[N+]=c1sc2ccccc2n1C ZINC000004773286 210275474 /nfs/dbraw/zinc/27/54/74/210275474.db2.gz WMKYHKIRADYFGA-UHFFFAOYSA-N 1 0 340.457 3.879 50 10 EHCARO O[C@]1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 ZINC000002966007 563624327 /nfs/dbraw/zinc/62/43/27/563624327.db2.gz RCQNJIHIUFNCDD-SFHVURJKSA-N 1 0 345.875 3.511 50 10 EHCARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)c1 ZINC000065408307 563960359 /nfs/dbraw/zinc/96/03/59/563960359.db2.gz YVFQMWSYQHJSSR-OAHLLOKOSA-N 1 0 327.424 3.707 50 10 EHCARO Oc1cc2c(cc1C[NH+]1CCN(C/C=C/c3ccccc3)CC1)CCC2 ZINC000022932820 202094644 /nfs/dbraw/zinc/09/46/44/202094644.db2.gz YWDJMCBGWCTAFI-VMPITWQZSA-N 1 0 348.490 3.712 50 10 EHCARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000075260760 202380024 /nfs/dbraw/zinc/38/00/24/202380024.db2.gz YYFNBJAFBWYTFY-QGZVFWFLSA-N 1 0 340.467 3.626 50 10 EHCARO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(F)cc3)C1)CCC2 ZINC000040061141 564167873 /nfs/dbraw/zinc/16/78/73/564167873.db2.gz PRFSEPXZGQLCTL-HXUWFJFHSA-N 1 0 327.399 3.594 50 10 EHCARO Cc1nc(C[NH2+]CCc2c(C)n3c4c2cccc4CCC3)n(C)c1C ZINC000952873162 1137482948 /nfs/dbraw/zinc/48/29/48/1137482948.db2.gz WBDFPHMERUMCAX-UHFFFAOYSA-N 1 0 336.483 3.579 50 10 EHCARO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1O ZINC000155870274 201397759 /nfs/dbraw/zinc/39/77/59/201397759.db2.gz BFEOHTMAOUQYPU-VDGAXYAQSA-N 1 0 339.483 3.739 50 10 EHCARO COc1cccc(O)c1C[N@@H+]1CCC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000012458898 563661575 /nfs/dbraw/zinc/66/15/75/563661575.db2.gz BBMPWBAUAHDDOP-AWEZNQCLSA-N 1 0 348.393 3.756 50 10 EHCARO CC[C@@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1ccccc1O ZINC000095940786 564141983 /nfs/dbraw/zinc/14/19/83/564141983.db2.gz SCPOEKPLWIWJCU-HXUWFJFHSA-N 1 0 339.483 3.535 50 10 EHCARO COc1ccc(C[NH2+]Cc2cc(-c3nc(C)cnc3C)ccc2O)cc1 ZINC000011814979 1128996866 /nfs/dbraw/zinc/99/68/66/1128996866.db2.gz QJTALABLQSGQSU-UHFFFAOYSA-N 1 0 349.434 3.764 50 10 EHCARO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1O ZINC000155870047 201397077 /nfs/dbraw/zinc/39/70/77/201397077.db2.gz BFEOHTMAOUQYPU-FFZOFVMBSA-N 1 0 339.483 3.739 50 10 EHCARO O=[N+]([O-])c1cn(CCCNc2c3ccccc3[nH+]c3ccccc32)cn1 ZINC000004649878 201608683 /nfs/dbraw/zinc/60/86/83/201608683.db2.gz ITEZPCCIRBLLAN-UHFFFAOYSA-N 1 0 347.378 3.995 50 10 EHCARO C[NH+](C)Cc1cc(C(C)(C)c2ccccc2)cc(C[NH+](C)C)c1[O-] ZINC000005041806 563519807 /nfs/dbraw/zinc/51/98/07/563519807.db2.gz WNUAJETWPQANQU-UHFFFAOYSA-N 1 0 326.484 3.841 50 10 EHCARO NS(=O)(=O)c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000005162777 563996467 /nfs/dbraw/zinc/99/64/67/563996467.db2.gz KJTUTENUUQRHAB-UHFFFAOYSA-N 1 0 349.415 3.779 50 10 EHCARO Cc1cc(O)c(C[N@H+](C)Cc2ccc(Br)s2)cc1O ZINC000095996986 564144311 /nfs/dbraw/zinc/14/43/11/564144311.db2.gz YKSLEWWYFGCNRJ-UHFFFAOYSA-N 1 0 342.258 3.862 50 10 EHCARO Cc1ncsc1CC[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000952964143 1137483659 /nfs/dbraw/zinc/48/36/59/1137483659.db2.gz MQYXZYKWRPTPFJ-UHFFFAOYSA-N 1 0 341.524 3.741 50 10 EHCARO Cc1cccc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c1O ZINC000055060481 563933525 /nfs/dbraw/zinc/93/35/25/563933525.db2.gz VAJXGXPKAHSJJT-UHFFFAOYSA-N 1 0 325.387 3.862 50 10 EHCARO CC[C@@H]([NH2+]C1CCN(c2ccc(C)cn2)CC1)c1ccccc1O ZINC000156000959 564008659 /nfs/dbraw/zinc/00/86/59/564008659.db2.gz NMHATJDQJLLEFO-GOSISDBHSA-N 1 0 325.456 3.805 50 10 EHCARO CC[NH+](CC)CCCN1C(=O)/C(=C/c2ccc(C)o2)SC1=S ZINC000002368836 209844741 /nfs/dbraw/zinc/84/47/41/209844741.db2.gz BVNCFQWXWPTKJH-KAMYIIQDSA-N 1 0 338.498 3.521 50 10 EHCARO Cc1[nH]c2ccc(NC=C3C(C)=NN(c4ccc(C)cc4)C3=O)cc2[nH+]1 ZINC000005130448 210396543 /nfs/dbraw/zinc/39/65/43/210396543.db2.gz WQAMUHISYYUAHU-BOPFTXTBSA-N 1 0 345.406 3.898 50 10 EHCARO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c1O ZINC000164321394 533629654 /nfs/dbraw/zinc/62/96/54/533629654.db2.gz PKCSRDOBAQURJA-OAHLLOKOSA-N 1 0 332.469 3.984 50 10 EHCARO Nc1ccc(CC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000001619831 563397153 /nfs/dbraw/zinc/39/71/53/563397153.db2.gz GAAKALASJNGQKD-UHFFFAOYSA-N 1 0 349.400 3.652 50 10 in-vitro EHCARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000012744852 563669866 /nfs/dbraw/zinc/66/98/66/563669866.db2.gz PBYHLNASCZECOD-FQEVSTJZSA-N 1 0 345.870 3.863 50 10 EHCARO CCOc1cccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c1O ZINC000069517672 564170054 /nfs/dbraw/zinc/17/00/54/564170054.db2.gz JFFZZJTYLKKFLX-OAHLLOKOSA-N 1 0 337.423 3.827 50 10 EHCARO Cc1cc(C)cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000071836996 564175815 /nfs/dbraw/zinc/17/58/15/564175815.db2.gz VUPJHBWGEZBDJO-UHFFFAOYSA-N 1 0 342.458 3.693 50 10 EHCARO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2CC)c1O ZINC000021720892 212245249 /nfs/dbraw/zinc/24/52/49/212245249.db2.gz CYHWUERRWACGJV-OAHLLOKOSA-N 1 0 330.428 3.987 50 10 EHCARO COC(=O)c1ccc2c(ccc(/C=C/c3ccc(N(C)C)cc3)[n+]2C)c1 ZINC000005173902 210406444 /nfs/dbraw/zinc/40/64/44/210406444.db2.gz RFWHMTOWSDLYTI-UHFFFAOYSA-N 1 0 347.438 3.687 50 10 EHCARO Cc1ccc(N2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)cc1 ZINC000005394343 563531225 /nfs/dbraw/zinc/53/12/25/563531225.db2.gz VYYRXUXAFDDPHJ-SNAWJCMRSA-N 1 0 335.495 3.896 50 10 EHCARO CCOc1cccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1O ZINC000016662805 563918030 /nfs/dbraw/zinc/91/80/30/563918030.db2.gz GNNWXRUMVFEIII-UHFFFAOYSA-N 1 0 340.467 3.730 50 10 EHCARO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1O ZINC000248540271 564072368 /nfs/dbraw/zinc/07/23/68/564072368.db2.gz BFEOHTMAOUQYPU-UXPWSPDFSA-N 1 0 339.483 3.739 50 10 EHCARO C[n+]1ccc(/C=C/c2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000075402885 564083985 /nfs/dbraw/zinc/08/39/85/564083985.db2.gz ICKIUOCDHQYMSZ-UHFFFAOYSA-N 1 0 331.439 3.671 50 10 EHCARO C[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1c(O)ccc2ccccc21 ZINC000006590734 564092520 /nfs/dbraw/zinc/09/25/20/564092520.db2.gz ZJMMOFSRXVXXCL-UHFFFAOYSA-N 1 0 338.382 3.755 50 10 EHCARO COc1cc2c(cc1OC)C[N@H+](Cc1cc(C)c(C)cc1O)CC2 ZINC000007076436 564104740 /nfs/dbraw/zinc/10/47/40/564104740.db2.gz YJWZWXONRHPKMT-UHFFFAOYSA-N 1 0 327.424 3.585 50 10 EHCARO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(N2CCCC2=O)c1 ZINC000065538057 564107252 /nfs/dbraw/zinc/10/72/52/564107252.db2.gz NUZLAJJDLPENCZ-OAHLLOKOSA-N 1 0 336.435 3.599 50 10 EHCARO C[C@@H]([NH2+]Cc1ccc(N(C)CCO)cc1)c1ccc2c(c1)CCCC2 ZINC000008345215 564164661 /nfs/dbraw/zinc/16/46/61/564164661.db2.gz IMWYSFNOURYVGV-QGZVFWFLSA-N 1 0 338.495 3.845 50 10 EHCARO COc1cc(C[NH2+][C@@H]2CCCc3c2cnn3C)c(O)c(C(C)(C)C)c1 ZINC000585093654 1136995298 /nfs/dbraw/zinc/99/52/98/1136995298.db2.gz WXNRODMKTBAMKV-QGZVFWFLSA-N 1 0 343.471 3.599 50 10 EHCARO CCOc1cccc(C[N@H+](CCOC)Cc2sccc2C)c1O ZINC000055242355 214293764 /nfs/dbraw/zinc/29/37/64/214293764.db2.gz AQDRJRKSEMSLQG-UHFFFAOYSA-N 1 0 335.469 3.809 50 10 EHCARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccccc1O ZINC000004679239 210245290 /nfs/dbraw/zinc/24/52/90/210245290.db2.gz TXFGXWGSIVIEDA-UHFFFAOYSA-N 1 0 341.386 3.653 50 10 EHCARO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(C)C)C2)c1 ZINC000020202298 212111314 /nfs/dbraw/zinc/11/13/14/212111314.db2.gz COLYYMDVRUPQJI-AWEZNQCLSA-N 1 0 329.444 3.627 50 10 EHCARO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCC(O)CC3)cc2)s1 ZINC000095420456 218360996 /nfs/dbraw/zinc/36/09/96/218360996.db2.gz XOEGIUDEONAZKQ-HNNXBMFYSA-N 1 0 330.497 3.868 50 10 EHCARO CC(=O)N1CC[C@H]([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000152962938 526667515 /nfs/dbraw/zinc/66/75/15/526667515.db2.gz IDEOMNIXJIFJDZ-KRWDZBQOSA-N 1 0 346.515 3.698 50 10 EHCARO CCN(CC)c1ccc([C@H]2[NH2+]C[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000000183614 563987900 /nfs/dbraw/zinc/98/79/00/563987900.db2.gz PKLBKECPTTUKNK-MOPGFXCFSA-N 1 0 341.411 3.801 50 10 EHCARO CCN(CC)c1ccc([C@@H]2[NH2+]C[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000000183616 563987912 /nfs/dbraw/zinc/98/79/12/563987912.db2.gz PKLBKECPTTUKNK-RTBURBONSA-N 1 0 341.411 3.801 50 10 EHCARO COC1CCN(c2ccc(C[N@H+](C)CCC3CCOCC3)cc2)CC1 ZINC000296797886 564090336 /nfs/dbraw/zinc/09/03/36/564090336.db2.gz OUKNRQJEHRXCHC-UHFFFAOYSA-N 1 0 346.515 3.550 50 10 EHCARO COc1ccc(-n2c(C)cc(C(=O)C[NH2+]CCC(C)C)c2C)cc1 ZINC000006508460 564091192 /nfs/dbraw/zinc/09/11/92/564091192.db2.gz OZYWLSIIHMXCLC-UHFFFAOYSA-N 1 0 328.456 3.921 50 10 EHCARO CCOc1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000040477064 213312619 /nfs/dbraw/zinc/31/26/19/213312619.db2.gz STFSUVZOVYOVSN-UHFFFAOYSA-N 1 0 336.229 3.843 50 10 EHCARO O=C(Nc1ccccc1)[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000078394178 217046395 /nfs/dbraw/zinc/04/63/95/217046395.db2.gz YZYMBXSTZSQREG-FQEVSTJZSA-N 1 0 332.403 3.862 50 10 EHCARO CCOc1cccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000078394102 217047138 /nfs/dbraw/zinc/04/71/38/217047138.db2.gz ZLNRBJZLYGBNEP-CQSZACIVSA-N 1 0 345.439 3.967 50 10 EHCARO O=[N+](N=c1[nH]onc1-c1ccccc1)c1nonc1-c1ccccc1 ZINC000013301933 211541322 /nfs/dbraw/zinc/54/13/22/211541322.db2.gz ATQXPBYFCCFPHJ-OQKWZONESA-N 1 0 334.295 3.712 50 10 EHCARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c(O)c1 ZINC000015066026 563775033 /nfs/dbraw/zinc/77/50/33/563775033.db2.gz VBNASNOQRHFFDQ-HNNXBMFYSA-N 1 0 348.393 3.756 50 10 EHCARO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1O ZINC000072312079 563920227 /nfs/dbraw/zinc/92/02/27/563920227.db2.gz NNUMUVAFWHJDAB-KRWDZBQOSA-N 1 0 344.842 3.935 50 10 EHCARO COc1cccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c1O ZINC000071792498 563920723 /nfs/dbraw/zinc/92/07/23/563920723.db2.gz KUKRKDKGBRUDRI-IBGZPJMESA-N 1 0 343.423 3.659 50 10 EHCARO CC[C@@H]([NH2+]C1CCN(c2cc(C)nc(C)n2)CC1)c1ccccc1O ZINC000097139542 563968170 /nfs/dbraw/zinc/96/81/70/563968170.db2.gz OLGPKRCAWFZOQH-GOSISDBHSA-N 1 0 340.471 3.509 50 10 EHCARO COCC[n+]1c(C)cc(C=C2Sc3ccccc3N2C)cc1C ZINC000003197355 564004145 /nfs/dbraw/zinc/00/41/45/564004145.db2.gz YLHKJVJCDYQEHJ-UHFFFAOYSA-N 1 0 327.473 3.879 50 10 EHCARO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1c(O)ccc2ccncc21 ZINC000083115152 564061261 /nfs/dbraw/zinc/06/12/61/564061261.db2.gz HEWHVACGVQKHSY-UHFFFAOYSA-N 1 0 339.464 3.908 50 10 EHCARO Oc1cc2c(cc1C[NH+]1CCN(c3cccc(Cl)c3)CC1)CCC2 ZINC000012637575 564061916 /nfs/dbraw/zinc/06/19/16/564061916.db2.gz YECRDKMENGZXBP-UHFFFAOYSA-N 1 0 342.870 3.857 50 10 EHCARO COc1cccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1O ZINC000071792499 564175314 /nfs/dbraw/zinc/17/53/14/564175314.db2.gz KUKRKDKGBRUDRI-LJQANCHMSA-N 1 0 343.423 3.659 50 10 EHCARO COc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1O ZINC000067692429 215188035 /nfs/dbraw/zinc/18/80/35/215188035.db2.gz QNCUWVZOFIKXCD-HNNXBMFYSA-N 1 0 337.423 3.657 50 10 EHCARO Cc1cc(O)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000057395044 132200409 /nfs/dbraw/zinc/20/04/09/132200409.db2.gz RGDDHUUHYAYBIH-UHFFFAOYSA-N 1 0 330.859 3.985 50 10 EHCARO Cc1c([N+](=O)[O-])c2ccc(O)c(C[NH+](C)C)c2n1-c1ccc(C)cc1 ZINC000000294099 563274162 /nfs/dbraw/zinc/27/41/62/563274162.db2.gz WPTJAOOOLOMCIQ-UHFFFAOYSA-N 1 0 339.395 3.923 50 10 EHCARO CCC[N@@H+](Cc1cc(Br)cc(OC)c1O)CC1CC1 ZINC000006398234 563871397 /nfs/dbraw/zinc/87/13/97/563871397.db2.gz XSMOZCVIYHWQGF-UHFFFAOYSA-N 1 0 328.250 3.785 50 10 EHCARO COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)c1O ZINC000019300999 212014481 /nfs/dbraw/zinc/01/44/81/212014481.db2.gz PJDABHGCRWRRRH-OAHLLOKOSA-N 1 0 343.471 3.702 50 10 EHCARO O=C1/C(=C/c2ccccc2)SC(=S)N1C[NH2+]Cc1ccccc1 ZINC000334161228 258015992 /nfs/dbraw/zinc/01/59/92/258015992.db2.gz WTRFPESVJYYWNV-WJDWOHSUSA-N 1 0 340.473 3.635 50 10 EHCARO Cc1ccc(C)c([N+]2=C3SCCCN3[C@@](O)(c3cccs3)C2)c1 ZINC000000425727 563998942 /nfs/dbraw/zinc/99/89/42/563998942.db2.gz SYPJKWPWYGKKBZ-SFHVURJKSA-N 1 0 345.513 3.536 50 10 EHCARO COCC[N@H+](C/C=C/c1ccccc1)Cc1cccc(OC)c1O ZINC000055242927 214293986 /nfs/dbraw/zinc/29/39/86/214293986.db2.gz GBHQBSKOAJNUOD-JXMROGBWSA-N 1 0 327.424 3.563 50 10 EHCARO COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(C)C)C2)c1O ZINC000020773895 212170714 /nfs/dbraw/zinc/17/07/14/212170714.db2.gz RAGULENTXJTUKK-CQSZACIVSA-N 1 0 329.444 3.627 50 10 EHCARO CCOc1cc2c(cc1OC)[C@H](c1cc(Cl)ccc1O)[NH2+]CC2 ZINC000019831622 212073179 /nfs/dbraw/zinc/07/31/79/212073179.db2.gz GBOYOTBDUIXBCB-GOSISDBHSA-N 1 0 333.815 3.688 50 10 EHCARO CC[C@@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)nc1)c1ccccc1O ZINC000155202586 529182160 /nfs/dbraw/zinc/18/21/60/529182160.db2.gz ATCYVOCNQWAWKE-GOSISDBHSA-N 1 0 336.439 3.831 50 10 EHCARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000058590873 563946847 /nfs/dbraw/zinc/94/68/47/563946847.db2.gz ITPKBYIVRRRUPV-HNNXBMFYSA-N 1 0 333.472 3.773 50 10 EHCARO COc1ccc(O)c(C[NH2+][C@H]2CCCN(CC3CCCCC3)C2)c1 ZINC000023374041 1035241515 /nfs/dbraw/zinc/24/15/15/1035241515.db2.gz LZSQEVMLRKLPFG-SFHVURJKSA-N 1 0 332.488 3.535 50 10 EHCARO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000012458896 211389133 /nfs/dbraw/zinc/38/91/33/211389133.db2.gz BBMPWBAUAHDDOP-CQSZACIVSA-N 1 0 348.393 3.756 50 10 EHCARO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(=O)c2sccc2C)C1 ZINC000012302262 211338712 /nfs/dbraw/zinc/33/87/12/211338712.db2.gz WRHNTUPNCQEWMM-AWEZNQCLSA-N 1 0 345.464 3.866 50 10 EHCARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3cccc(F)c3)C2)c(O)c1 ZINC000012001957 211277195 /nfs/dbraw/zinc/27/71/95/211277195.db2.gz WVRBJYZUBLXYPB-KRWDZBQOSA-N 1 0 330.403 3.616 50 10 EHCARO CN(C)c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000055544022 132196258 /nfs/dbraw/zinc/19/62/58/132196258.db2.gz GAYJHXIOHIAVSX-UHFFFAOYSA-N 1 0 329.875 3.728 50 10 EHCARO COc1ccc(N2CC[NH+](Cc3csc4c3CCCC4)CC2)cc1 ZINC000006797685 564098040 /nfs/dbraw/zinc/09/80/40/564098040.db2.gz DJSWZFNONSIMST-UHFFFAOYSA-N 1 0 342.508 3.958 50 10 EHCARO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2CC)c1O ZINC000021720894 212243943 /nfs/dbraw/zinc/24/39/43/212243943.db2.gz CYHWUERRWACGJV-HNNXBMFYSA-N 1 0 330.428 3.987 50 10 EHCARO C[C@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000013007990 564086462 /nfs/dbraw/zinc/08/64/62/564086462.db2.gz HIHAHAGJWODOQN-NSHDSACASA-N 1 0 336.229 3.529 50 10 EHCARO Cc1ccc(SC[C@H]2C[NH2+][C@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000057851482 564156170 /nfs/dbraw/zinc/15/61/70/564156170.db2.gz MGKNDNROQRNEFK-MJGOQNOKSA-N 1 0 328.481 3.840 50 10 EHCARO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1C ZINC000052583708 214135532 /nfs/dbraw/zinc/13/55/32/214135532.db2.gz FIXAODLHHHTZTP-UHFFFAOYSA-N 1 0 344.499 3.624 50 10 EHCARO COc1cccc2c(O)c([C@H](c3ccccc3)[NH+]3CCOCC3)ccc12 ZINC000020650802 212159813 /nfs/dbraw/zinc/15/98/13/212159813.db2.gz OHQSJCRORBNGOJ-NRFANRHFSA-N 1 0 349.430 3.976 50 10 EHCARO COc1cccc(-c2ccc(O)c(C[NH2+]CCc3ccccc3)c2)n1 ZINC000019953940 212089734 /nfs/dbraw/zinc/08/97/34/212089734.db2.gz XPQYCTOHFSPVDH-UHFFFAOYSA-N 1 0 334.419 3.795 50 10 EHCARO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 ZINC000011789890 211247573 /nfs/dbraw/zinc/24/75/73/211247573.db2.gz RGOOQQHEGYTBLD-OAHLLOKOSA-N 1 0 343.471 3.702 50 10 EHCARO COc1ccc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCCCC2)cc1 ZINC000005249248 563524511 /nfs/dbraw/zinc/52/45/11/563524511.db2.gz VXUBMVYKZKUFMX-FQEVSTJZSA-N 1 0 341.407 3.705 50 10 EHCARO CCOCCC[NH2+]Cc1cc(-c2cc(OC)ccc2OC)ccc1O ZINC000014888498 563766475 /nfs/dbraw/zinc/76/64/75/563766475.db2.gz KHONUTSABBKAME-UHFFFAOYSA-N 1 0 345.439 3.593 50 10 EHCARO COc1ccc(N2CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC2)cc1 ZINC000020779009 563860013 /nfs/dbraw/zinc/86/00/13/563860013.db2.gz LHVQWIHMGOYYNC-INIZCTEOSA-N 1 0 334.504 3.583 50 10 EHCARO CCN(CC)c1ccc([C@@H]2[NH2+]C[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000000183612 563987902 /nfs/dbraw/zinc/98/79/02/563987902.db2.gz PKLBKECPTTUKNK-RBUKOAKNSA-N 1 0 341.411 3.801 50 10 EHCARO CC[NH+](CC)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000002397521 564134498 /nfs/dbraw/zinc/13/44/98/564134498.db2.gz JFDODCZINUYBNK-SQFISAMPSA-N 1 0 334.510 3.620 50 10 EHCARO Oc1cc2c(cc1C[NH+]1CCC(Cc3ccccc3)CC1)OCO2 ZINC000006997771 568418320 /nfs/dbraw/zinc/41/83/20/568418320.db2.gz STLNREVXIQLXLG-UHFFFAOYSA-N 1 0 325.408 3.576 50 10 EHCARO CCN(CC)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000055292089 535685464 /nfs/dbraw/zinc/68/54/64/535685464.db2.gz CXNVVSIAQLRWAX-UHFFFAOYSA-N 1 0 341.474 3.994 50 10 EHCARO COc1cccc(C[N@@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)c1O ZINC000012753675 563670114 /nfs/dbraw/zinc/67/01/14/563670114.db2.gz SDYSNRLYTMXSSH-QGZVFWFLSA-N 1 0 330.403 3.616 50 10 EHCARO CC[C@@H](Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1O ZINC000157325227 564010652 /nfs/dbraw/zinc/01/06/52/564010652.db2.gz GSRKNWDUUIZULS-LJQANCHMSA-N 1 0 340.467 3.912 50 10 EHCARO O=[N+]([O-])c1cn(CCNc2c3ccccc3[nH+]c3ccccc32)cn1 ZINC000004649879 210237395 /nfs/dbraw/zinc/23/73/95/210237395.db2.gz LPFWNFRRRQYCJR-UHFFFAOYSA-N 1 0 333.351 3.605 50 10 EHCARO Cn1c2ccccc2sc1=[N+]=NN=c1ccc2ccccc2n1C ZINC000004773289 210275904 /nfs/dbraw/zinc/27/59/04/210275904.db2.gz LFMIMAZVISSAHI-UHFFFAOYSA-N 1 0 334.428 3.817 50 10 EHCARO OCCC[NH2+]Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1O ZINC000299779595 258006171 /nfs/dbraw/zinc/00/61/71/258006171.db2.gz GGERETCZWPYTHQ-UHFFFAOYSA-N 1 0 342.826 3.733 50 10 EHCARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000012744850 563669835 /nfs/dbraw/zinc/66/98/35/563669835.db2.gz PBYHLNASCZECOD-HXUWFJFHSA-N 1 0 345.870 3.863 50 10 EHCARO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000097159161 563968315 /nfs/dbraw/zinc/96/83/15/563968315.db2.gz PVOLAHCLSZOOCJ-UHFFFAOYSA-N 1 0 344.528 3.550 50 10 EHCARO C[NH+](C)CCCN1C(=O)/C(=C/c2cc3ccccc3o2)SC1=S ZINC000096935924 1039587791 /nfs/dbraw/zinc/58/77/91/1039587791.db2.gz FUEJMSQWYZXCJK-PTNGSMBKSA-N 1 0 346.477 3.586 50 10 EHCARO Oc1ccc(-c2cnccn2)cc1C[NH2+]CCc1cccc(Cl)c1 ZINC000020780118 212171679 /nfs/dbraw/zinc/17/16/79/212171679.db2.gz MMUJBCFXZVCBLS-UHFFFAOYSA-N 1 0 339.826 3.835 50 10 EHCARO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000012031318 211281230 /nfs/dbraw/zinc/28/12/30/211281230.db2.gz RLYROAHXBFCSPX-OAHLLOKOSA-N 1 0 343.398 3.635 50 10 EHCARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccc(N3CCCCC3)cc1)CCC2 ZINC000089702122 564113202 /nfs/dbraw/zinc/11/32/02/564113202.db2.gz WUMPKPHEEULEFO-IBGZPJMESA-N 1 0 338.499 3.849 50 10 EHCARO COc1ccc(C[NH2+][C@H]2CCCN(Cc3cccs3)C2)cc1C ZINC000952972538 1137484328 /nfs/dbraw/zinc/48/43/28/1137484328.db2.gz HAYRQWYLRIVTON-KRWDZBQOSA-N 1 0 330.497 3.819 50 10 EHCARO CC[C@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)nc1)c1ccccc1O ZINC000155202469 529625029 /nfs/dbraw/zinc/62/50/29/529625029.db2.gz ATCYVOCNQWAWKE-SFHVURJKSA-N 1 0 336.439 3.831 50 10 EHCARO Cc1ccc([C@H]2c3[nH]cnc3CC[N@H+]2Cc2cc(C)ccc2O)cc1 ZINC000067491106 215154914 /nfs/dbraw/zinc/15/49/14/215154914.db2.gz XCTGVXARRSBCNV-NRFANRHFSA-N 1 0 333.435 3.880 50 10 EHCARO COc1ccc([C@@H](c2c(O)ccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000019335797 212018710 /nfs/dbraw/zinc/01/87/10/212018710.db2.gz USRXTTQEZVWJKC-QFIPXVFZSA-N 1 0 349.430 3.976 50 10 EHCARO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1O ZINC000155218581 529183635 /nfs/dbraw/zinc/18/36/35/529183635.db2.gz DYPXYNXZKYZEEV-GOSISDBHSA-N 1 0 344.430 3.609 50 10 EHCARO CCOC(=O)c1ccc(N[N+](=O)c2ccc(C(=O)OCC)cc2)cc1 ZINC000005650693 563544083 /nfs/dbraw/zinc/54/40/83/563544083.db2.gz LOOVRYZFUGHEMF-VXPUYCOJSA-N 1 0 342.351 3.966 50 10 EHCARO Cc1ccc(C)c([N+]2=C3SCCCN3[C@](O)(c3cccs3)C2)c1 ZINC000000425728 563998979 /nfs/dbraw/zinc/99/89/79/563998979.db2.gz SYPJKWPWYGKKBZ-GOSISDBHSA-N 1 0 345.513 3.536 50 10 EHCARO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c1O ZINC000069517670 564170060 /nfs/dbraw/zinc/17/00/60/564170060.db2.gz JFFZZJTYLKKFLX-HNNXBMFYSA-N 1 0 337.423 3.827 50 10 EHCARO Cc1ccc(C)n1-c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000036686459 213109469 /nfs/dbraw/zinc/10/94/69/213109469.db2.gz CBVXRWDXGDMADX-UHFFFAOYSA-N 1 0 339.483 3.700 50 10 EHCARO CCOCc1cc(C[NH2+][C@@H]2CCCc3c2cnn3CC)ccc1OC ZINC000072298401 216136665 /nfs/dbraw/zinc/13/66/65/216136665.db2.gz YTAXPWNEDOHXAJ-GOSISDBHSA-N 1 0 343.471 3.615 50 10 EHCARO Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2cccs2)CC1 ZINC000022794609 212324995 /nfs/dbraw/zinc/32/49/95/212324995.db2.gz RISCCNYUBLJOFB-UHFFFAOYSA-N 1 0 338.476 3.925 50 10 EHCARO COc1ccc(N2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)cc1 ZINC000003684272 135661147 /nfs/dbraw/zinc/66/11/47/135661147.db2.gz UDTXTABJKCNZSJ-UHFFFAOYSA-N 1 0 340.467 3.643 50 10 EHCARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)c1 ZINC000065408306 563960353 /nfs/dbraw/zinc/96/03/53/563960353.db2.gz YVFQMWSYQHJSSR-HNNXBMFYSA-N 1 0 327.424 3.707 50 10 EHCARO CCOC(=O)c1c(C)n(C)c2ccc(O)c(C[NH+]3CCC(C)CC3)c21 ZINC000000459226 564000619 /nfs/dbraw/zinc/00/06/19/564000619.db2.gz KXAXVGODKLONAP-UHFFFAOYSA-N 1 0 344.455 3.601 50 10 EHCARO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(CC3CCCCC3)C2)c1 ZINC000023374038 1035241812 /nfs/dbraw/zinc/24/18/12/1035241812.db2.gz LZSQEVMLRKLPFG-GOSISDBHSA-N 1 0 332.488 3.535 50 10 EHCARO CC1CC[NH+](Cc2c(O)ccc3oc(-c4ccco4)cc(=O)c32)CC1 ZINC000004387304 210186425 /nfs/dbraw/zinc/18/64/25/210186425.db2.gz LOKGYUVYCKCQFL-UHFFFAOYSA-N 1 0 339.391 3.991 50 10 EHCARO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)c1 ZINC000012703448 563668007 /nfs/dbraw/zinc/66/80/07/563668007.db2.gz AUSRCOPVDSESEL-QGZVFWFLSA-N 1 0 330.403 3.616 50 10 EHCARO COc1ccc(N2CCC([N@H+](C)[C@H](C)c3ccncc3)CC2)cc1 ZINC000065406973 563960331 /nfs/dbraw/zinc/96/03/31/563960331.db2.gz YZHQASGZAKTHOE-MRXNPFEDSA-N 1 0 325.456 3.752 50 10 EHCARO Cc1cc(-c2ccc(O)c(C[NH+]3CCOCC3)c2)c2ccccc2n1 ZINC000012052289 1129307583 /nfs/dbraw/zinc/30/75/83/1129307583.db2.gz BXCSNKJAQJLSNQ-UHFFFAOYSA-N 1 0 334.419 3.748 50 10 EHCARO COc1cccc(O)c1C[N@@H+](Cc1ccsc1)C[C@@H]1CCCO1 ZINC000055167452 214281321 /nfs/dbraw/zinc/28/13/21/214281321.db2.gz SOPCMPJJFVBCLW-HNNXBMFYSA-N 1 0 333.453 3.644 50 10 EHCARO Oc1ccc(F)cc1C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000020118992 212103005 /nfs/dbraw/zinc/10/30/05/212103005.db2.gz JDIXDANOSMSCTK-UHFFFAOYSA-N 1 0 344.434 3.618 50 10 EHCARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)c(O)c1 ZINC000012001954 211277654 /nfs/dbraw/zinc/27/76/54/211277654.db2.gz WVRBJYZUBLXYPB-QGZVFWFLSA-N 1 0 330.403 3.616 50 10 EHCARO O=[N+]([O-])c1cc(C[NH2+]CCc2ccccc2)ccc1N1CCCCC1 ZINC000024631072 563873492 /nfs/dbraw/zinc/87/34/92/563873492.db2.gz VWFNLVIFVIJUTL-UHFFFAOYSA-N 1 0 339.439 3.917 50 10 EHCARO Cc1[nH]c2ccc(NC=C3C(C)=NN(c4ccccc4)C3=O)cc2[nH+]1 ZINC000006300088 564083691 /nfs/dbraw/zinc/08/36/91/564083691.db2.gz VTPPNGCLKVFTHO-WJDWOHSUSA-N 1 0 331.379 3.590 50 10 EHCARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(C)c2O)C1 ZINC000089983562 564116018 /nfs/dbraw/zinc/11/60/18/564116018.db2.gz YDQQPPKREAZGQY-OAHLLOKOSA-N 1 0 333.472 3.773 50 10 EHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C)cc2O)N3)C1 ZINC000004556159 210220093 /nfs/dbraw/zinc/22/00/93/210220093.db2.gz SQFDJBXSNGOISE-INIZCTEOSA-N 1 0 343.452 3.569 50 10 EHCARO Cc1cc([C@H]2[NH2+]CCc3nc[nH]c32)c(C)n1-c1ccccc1Cl ZINC000067757995 215206754 /nfs/dbraw/zinc/20/67/54/215206754.db2.gz TVGBMJSSPFRYHJ-QGZVFWFLSA-N 1 0 326.831 3.706 50 10 EHCARO COc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000004988646 210351218 /nfs/dbraw/zinc/35/12/18/210351218.db2.gz CQTBQBLBDYGNTD-PHIMTYICSA-N 1 0 328.250 3.641 50 10 EHCARO OC1CCN(c2ccc(C[NH2+]C/C=C\c3ccccc3)cc2F)CC1 ZINC000097296564 219009694 /nfs/dbraw/zinc/00/96/94/219009694.db2.gz BNSRVPYWFXFGDI-DAXSKMNVSA-N 1 0 340.442 3.590 50 10 EHCARO CN(C)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055543591 132195861 /nfs/dbraw/zinc/19/58/61/132195861.db2.gz OYKNHJHXBSCCIU-UHFFFAOYSA-N 1 0 329.875 3.728 50 10 EHCARO Oc1ccc(-c2nc3ccccc3s2)cc1C[NH2+]C[C@H]1CCCO1 ZINC000299785680 564150720 /nfs/dbraw/zinc/15/07/20/564150720.db2.gz LETZDBAKPRAEMR-OAHLLOKOSA-N 1 0 340.448 3.938 50 10 EHCARO CC[NH+](CC)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000002367091 209844553 /nfs/dbraw/zinc/84/45/53/209844553.db2.gz URDWHIJLRBMPIL-QBFSEMIESA-N 1 0 340.539 3.681 50 10 EHCARO COc1ccccc1N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000019790496 563856912 /nfs/dbraw/zinc/85/69/12/563856912.db2.gz WGFIVTMADDNYGP-UHFFFAOYSA-N 1 0 348.446 3.876 50 10 EHCARO Oc1ccc(-c2ccccn2)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000064006533 563956568 /nfs/dbraw/zinc/95/65/68/563956568.db2.gz VVISMFJDJXTBKM-UHFFFAOYSA-N 1 0 345.446 3.776 50 10 EHCARO CC[C@@H]([NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000156912601 564009683 /nfs/dbraw/zinc/00/96/83/564009683.db2.gz CPESEZYJNYEXHY-CABCVRRESA-N 1 0 325.330 3.584 50 10 EHCARO OC1CCN(c2ccc(C[NH2+]C/C=C/c3ccccc3)cc2F)CC1 ZINC000075126856 564080369 /nfs/dbraw/zinc/08/03/69/564080369.db2.gz BNSRVPYWFXFGDI-QPJJXVBHSA-N 1 0 340.442 3.590 50 10 EHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(C)c2O)N3)C1 ZINC000006654906 564095487 /nfs/dbraw/zinc/09/54/87/564095487.db2.gz NZHYPXLFJKFDJS-INIZCTEOSA-N 1 0 343.452 3.569 50 10 EHCARO C[C@H]([NH2+]Cc1ccc(N(C)CCO)cc1)c1ccc2c(c1)CCCC2 ZINC000008345214 564164628 /nfs/dbraw/zinc/16/46/28/564164628.db2.gz IMWYSFNOURYVGV-KRWDZBQOSA-N 1 0 338.495 3.845 50 10 EHCARO CCOc1cccc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)c1O ZINC000098212996 219087604 /nfs/dbraw/zinc/08/76/04/219087604.db2.gz RNHGBVPPUDEVCZ-CYBMUJFWSA-N 1 0 331.412 3.659 50 10 EHCARO O=C(Nc1ccccc1)[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000078394182 217046341 /nfs/dbraw/zinc/04/63/41/217046341.db2.gz YZYMBXSTZSQREG-HXUWFJFHSA-N 1 0 332.403 3.862 50 10 EHCARO CCOc1cccc(C[N@H+](Cc2ccsc2)[C@@H](CC)CO)c1O ZINC000055307998 214304283 /nfs/dbraw/zinc/30/42/83/214304283.db2.gz SMQJBJQDUIRDSK-INIZCTEOSA-N 1 0 335.469 3.626 50 10 EHCARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 ZINC000004553991 210221071 /nfs/dbraw/zinc/22/10/71/210221071.db2.gz LMOBRUJBCKABEJ-MRXNPFEDSA-N 1 0 343.452 3.649 50 10 EHCARO O=C(c1ccccc1)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000032888345 212861461 /nfs/dbraw/zinc/86/14/61/212861461.db2.gz BIVIKZWWKCNDKW-UHFFFAOYSA-N 1 0 335.447 3.976 50 10 EHCARO Cc1cc([C@@H](C)c2ccccc2)c(O)c(C[NH+]2CCOCC2)c1C ZINC000019857272 212076201 /nfs/dbraw/zinc/07/62/01/212076201.db2.gz DHODRICJAWWBRG-KRWDZBQOSA-N 1 0 325.452 3.993 50 10 EHCARO COc1ccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc1C ZINC000089146273 217773029 /nfs/dbraw/zinc/77/30/29/217773029.db2.gz FARJOIRDMMCUQU-UHFFFAOYSA-N 1 0 332.488 3.520 50 10 EHCARO CN1CCCc2cc(C[NH2+]Cc3ccc(OC(F)F)cc3)ccc21 ZINC000058438176 564050377 /nfs/dbraw/zinc/05/03/77/564050377.db2.gz KULQUSKOCRIBRU-UHFFFAOYSA-N 1 0 332.394 3.960 50 10 EHCARO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1c(O)ccc2ccncc21 ZINC000012908325 564077893 /nfs/dbraw/zinc/07/78/93/564077893.db2.gz UXCZLEXEKWPLBJ-UHFFFAOYSA-N 1 0 344.418 3.758 50 10 EHCARO c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000008428758 564165285 /nfs/dbraw/zinc/16/52/85/564165285.db2.gz WGWDSQHHEKDGQQ-LJQANCHMSA-N 1 0 340.492 3.850 50 10 EHCARO Oc1ccccc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000082138934 1030433566 /nfs/dbraw/zinc/43/35/66/1030433566.db2.gz MQBCHQVFLMWXPC-UHFFFAOYSA-N 1 0 336.357 3.733 50 10 EHCARO C[NH+](C)CCCN1C(=O)/C(=C\c2cc3ccccc3o2)SC1=S ZINC000014238565 1038715032 /nfs/dbraw/zinc/71/50/32/1038715032.db2.gz FUEJMSQWYZXCJK-RVDMUPIBSA-N 1 0 346.477 3.586 50 10 EHCARO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2OC(F)(F)O3)c1 ZINC000845971123 1136728383 /nfs/dbraw/zinc/72/83/83/1136728383.db2.gz HFVVNOONCWVWDZ-SNVBAGLBSA-N 1 0 337.322 3.573 50 10 EHCARO Oc1ccccc1C[N@@H+]1CCc2nc[nH]c2[C@H]1CCc1ccccc1 ZINC000067919730 215250053 /nfs/dbraw/zinc/25/00/53/215250053.db2.gz DYPFMQBPMZZKNV-LJQANCHMSA-N 1 0 333.435 3.848 50 10 EHCARO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(F)cc3)C1)CCC2 ZINC000040061138 213256682 /nfs/dbraw/zinc/25/66/82/213256682.db2.gz PRFSEPXZGQLCTL-FQEVSTJZSA-N 1 0 327.399 3.594 50 10 EHCARO CCN(CC)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019634501 212052377 /nfs/dbraw/zinc/05/23/77/212052377.db2.gz AFXWZAVSWOSACX-UHFFFAOYSA-N 1 0 337.511 3.851 50 10 EHCARO CC[C@H]([NH2+]C1CCN(c2ccc(C)cn2)CC1)c1ccccc1O ZINC000156000851 564008669 /nfs/dbraw/zinc/00/86/69/564008669.db2.gz NMHATJDQJLLEFO-SFHVURJKSA-N 1 0 325.456 3.805 50 10 EHCARO COc1cccc(O)c1C[N@@H+](Cc1ccsc1)C[C@H]1CCCO1 ZINC000055167457 214281424 /nfs/dbraw/zinc/28/14/24/214281424.db2.gz SOPCMPJJFVBCLW-OAHLLOKOSA-N 1 0 333.453 3.644 50 10 EHCARO Cc1ccc(C)c(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1 ZINC000053175269 132186483 /nfs/dbraw/zinc/18/64/83/132186483.db2.gz JLFCWVOBYKCWIA-UHFFFAOYSA-N 1 0 330.859 3.985 50 10 EHCARO CCOc1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1O ZINC000055292139 132194927 /nfs/dbraw/zinc/19/49/27/132194927.db2.gz STAIPRVOSJJZGU-UHFFFAOYSA-N 1 0 346.858 3.767 50 10 EHCARO CC[C@@H]([NH2+][C@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000156912896 564009692 /nfs/dbraw/zinc/00/96/92/564009692.db2.gz CPESEZYJNYEXHY-HUUCEWRRSA-N 1 0 325.330 3.584 50 10 EHCARO COc1cccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)c1O ZINC000004678374 210243786 /nfs/dbraw/zinc/24/37/86/210243786.db2.gz YPRLGRGLRVRHEF-UHFFFAOYSA-N 1 0 327.359 3.553 50 10 EHCARO COc1ccc([C@H](c2c(O)ccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000019335792 212018282 /nfs/dbraw/zinc/01/82/82/212018282.db2.gz USRXTTQEZVWJKC-JOCHJYFZSA-N 1 0 349.430 3.976 50 10 EHCARO Cn1c2ccccc2sc1=NN=Nc1cc[n+](C)c2ccccc12 ZINC000004773301 210274886 /nfs/dbraw/zinc/27/48/86/210274886.db2.gz AHWOHVAPJCVECN-UHFFFAOYSA-N 1 0 334.428 3.817 50 10 EHCARO Cc1ccc(O)c(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)c1 ZINC000065383140 563959114 /nfs/dbraw/zinc/95/91/14/563959114.db2.gz RWWRAXCKLXUBDD-NRFANRHFSA-N 1 0 325.452 3.516 50 10 EHCARO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)cc1 ZINC000008189651 564163425 /nfs/dbraw/zinc/16/34/25/564163425.db2.gz HINPLPFTMJKWLY-QGZVFWFLSA-N 1 0 341.407 3.857 50 10 EHCARO COc1cccc2c(O)c([C@@H](c3ccccc3)[NH+]3CCOCC3)ccc12 ZINC000020650805 212160473 /nfs/dbraw/zinc/16/04/73/212160473.db2.gz OHQSJCRORBNGOJ-OAQYLSRUSA-N 1 0 349.430 3.976 50 10 EHCARO Oc1ccccc1N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000015250728 563780415 /nfs/dbraw/zinc/78/04/15/563780415.db2.gz RLYCJYISTVPBSJ-UHFFFAOYSA-N 1 0 334.419 3.573 50 10 EHCARO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000075584106 563921491 /nfs/dbraw/zinc/92/14/91/563921491.db2.gz OQKWPZGBOKKZKC-KRWDZBQOSA-N 1 0 325.456 3.740 50 10 EHCARO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)nc3sc(C)cn32)c1 ZINC000585140866 563973384 /nfs/dbraw/zinc/97/33/84/563973384.db2.gz KFYSVAVNVVLDGH-NSHDSACASA-N 1 0 331.441 3.578 50 10 EHCARO CC(C)(C)OC(=O)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000012787835 563670718 /nfs/dbraw/zinc/67/07/18/563670718.db2.gz UKUUFOYNOIYDTG-UHFFFAOYSA-N 1 0 342.439 3.598 50 10 EHCARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(N3CCCC3)cc2)o1 ZINC000097159315 563968345 /nfs/dbraw/zinc/96/83/45/563968345.db2.gz XEBHOAYWBVPBHD-UHFFFAOYSA-N 1 0 336.439 3.868 50 10 EHCARO CCN(C)c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)cc1F ZINC000072289938 563976341 /nfs/dbraw/zinc/97/63/41/563976341.db2.gz YVDWQCJDBZLHJX-UHFFFAOYSA-N 1 0 338.430 3.962 50 10 EHCARO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(N2CCCC2=O)c1 ZINC000065538055 564107259 /nfs/dbraw/zinc/10/72/59/564107259.db2.gz NUZLAJJDLPENCZ-HNNXBMFYSA-N 1 0 336.435 3.599 50 10 EHCARO COc1ccc(Oc2ccc(C[NH2+]Cc3ccccc3O)cn2)cc1 ZINC000069537214 564170344 /nfs/dbraw/zinc/17/03/44/564170344.db2.gz GSNYPBIWSHBDMZ-UHFFFAOYSA-N 1 0 336.391 3.878 50 10 EHCARO CCOc1ccc(O)c(C[NH2+][C@H](C)c2cc(OC)ccc2OC)c1 ZINC000071792497 564175312 /nfs/dbraw/zinc/17/53/12/564175312.db2.gz XIKPHGLMGLZWFZ-CYBMUJFWSA-N 1 0 331.412 3.659 50 10 EHCARO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cnn1-c1ccccc1 ZINC000012475701 1130028442 /nfs/dbraw/zinc/02/84/42/1130028442.db2.gz YASIJCCWNFEJKJ-HNNXBMFYSA-N 1 0 333.435 3.966 50 10 EHCARO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000066970182 215100375 /nfs/dbraw/zinc/10/03/75/215100375.db2.gz YWDFFAHRFVCJRY-CQSZACIVSA-N 1 0 332.394 3.652 50 10 EHCARO Oc1ccccc1C[N@@H+]1CCc2nc[nH]c2[C@@H]1CCc1ccccc1 ZINC000067919732 215249926 /nfs/dbraw/zinc/24/99/26/215249926.db2.gz DYPFMQBPMZZKNV-IBGZPJMESA-N 1 0 333.435 3.848 50 10 EHCARO COc1cc(C)cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1O ZINC000089686576 564113067 /nfs/dbraw/zinc/11/30/67/564113067.db2.gz TZTBOFLOBVFNNL-UHFFFAOYSA-N 1 0 340.467 3.648 50 10 EHCARO Cc1c([C@H](C)[NH2+]Cc2ccccc2O)cnn1-c1ccc(F)cc1 ZINC000071792567 215827786 /nfs/dbraw/zinc/82/77/86/215827786.db2.gz GEJIWEJSQSJSOK-ZDUSSCGKSA-N 1 0 325.387 3.876 50 10 EHCARO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)c3sccc3C)C2)c1 ZINC000012464253 211390517 /nfs/dbraw/zinc/39/05/17/211390517.db2.gz FXQRYZNCQKECNT-CQSZACIVSA-N 1 0 345.464 3.866 50 10 EHCARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3O)C2)cc1F ZINC000012386057 211365155 /nfs/dbraw/zinc/36/51/55/211365155.db2.gz SFFJXJQGQDRFDH-INIZCTEOSA-N 1 0 343.398 3.635 50 10 EHCARO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(=O)c2sccc2C)C1 ZINC000012302260 211338359 /nfs/dbraw/zinc/33/83/59/211338359.db2.gz WRHNTUPNCQEWMM-CQSZACIVSA-N 1 0 345.464 3.866 50 10 EHCARO COc1ccc(N2CC[NH+](Cc3ccc(SC)cc3)CC2)cc1 ZINC000055543504 132195722 /nfs/dbraw/zinc/19/57/22/132195722.db2.gz XVWZKFGLNWBWTI-UHFFFAOYSA-N 1 0 328.481 3.739 50 10 EHCARO Cc1ccc(SC[C@@H]2C[NH2+][C@@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000057851484 564156132 /nfs/dbraw/zinc/15/61/32/564156132.db2.gz MGKNDNROQRNEFK-PKOBYXMFSA-N 1 0 328.481 3.840 50 10 EHCARO COc1cc(C[NH2+][C@H]2CCCc3c2cnn3C)c(O)c(C(C)(C)C)c1 ZINC000585093653 1136995353 /nfs/dbraw/zinc/99/53/53/1136995353.db2.gz WXNRODMKTBAMKV-KRWDZBQOSA-N 1 0 343.471 3.599 50 10 EHCARO CN(Cc1cscn1)C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000952981137 1137485263 /nfs/dbraw/zinc/48/52/63/1137485263.db2.gz GTCSYPJTJGNZQF-UHFFFAOYSA-N 1 0 327.497 3.733 50 10 EHCARO Cc1cc(C(=O)NN2Cc3ccccc3C2=[NH2+])c(C)n1-c1ccccc1 ZINC000012618919 564060671 /nfs/dbraw/zinc/06/06/71/564060671.db2.gz FWUMNEBADPXDDT-UHFFFAOYSA-N 1 0 344.418 3.580 50 10 EHCARO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cc(OC)ccc2OC)c1 ZINC000071792496 564175322 /nfs/dbraw/zinc/17/53/22/564175322.db2.gz XIKPHGLMGLZWFZ-ZDUSSCGKSA-N 1 0 331.412 3.659 50 10 EHCARO OCC1(CCCc2ccccc2)CC[NH+](Cc2ccccc2O)CC1 ZINC000011934127 1129193048 /nfs/dbraw/zinc/19/30/48/1129193048.db2.gz LDGAUWKOZDPQIF-UHFFFAOYSA-N 1 0 339.479 3.990 50 10 EHCARO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cnn1-c1ccccc1 ZINC000012475699 1130028327 /nfs/dbraw/zinc/02/83/27/1130028327.db2.gz YASIJCCWNFEJKJ-OAHLLOKOSA-N 1 0 333.435 3.966 50 10 EHCARO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)c1O ZINC000098212995 219087405 /nfs/dbraw/zinc/08/74/05/219087405.db2.gz RNHGBVPPUDEVCZ-ZDUSSCGKSA-N 1 0 331.412 3.659 50 10 EHCARO Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000022777930 212323148 /nfs/dbraw/zinc/32/31/48/212323148.db2.gz OJICWDZWYHOHDQ-UHFFFAOYSA-N 1 0 338.476 3.925 50 10 EHCARO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)Cc3ccc(N)cc3)c2C1 ZINC000236721076 242333924 /nfs/dbraw/zinc/33/39/24/242333924.db2.gz MGZWELYPRVMZQR-UHFFFAOYSA-N 1 0 337.467 3.812 50 10 EHCARO COc1cccc(O)c1C[N@@H+]1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000014957546 563768081 /nfs/dbraw/zinc/76/80/81/563768081.db2.gz WAGCCCQWELDCPB-INIZCTEOSA-N 1 0 330.403 3.616 50 10 EHCARO CN(C)c1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000017318104 564011658 /nfs/dbraw/zinc/01/16/58/564011658.db2.gz CCQMCOGJTFRTGO-UHFFFAOYSA-N 1 0 346.858 3.857 50 10 EHCARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ccc(N3CCCCC3)cc1)CCC2 ZINC000089702123 564113175 /nfs/dbraw/zinc/11/31/75/564113175.db2.gz WUMPKPHEEULEFO-LJQANCHMSA-N 1 0 338.499 3.849 50 10 EHCARO CC[C@@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1ccccc1O ZINC000155654763 564139562 /nfs/dbraw/zinc/13/95/62/564139562.db2.gz RISINNULPSCKHI-QGZVFWFLSA-N 1 0 331.387 3.681 50 10 EHCARO Cc1[nH]c2ccc(NC=C3C(C)=NN(c4ccccc4)C3=O)cc2[nH+]1 ZINC000109339442 1042175360 /nfs/dbraw/zinc/17/53/60/1042175360.db2.gz VTPPNGCLKVFTHO-LFIBNONCSA-N 1 0 331.379 3.590 50 10 EHCARO C[NH+](C)Cc1cc(-c2nccn2-c2cnc3ccccc3c2)ccc1O ZINC000072161640 216049992 /nfs/dbraw/zinc/04/99/92/216049992.db2.gz VTQFXNMKTZJTMZ-UHFFFAOYSA-N 1 0 344.418 3.855 50 10 EHCARO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(C)C)C1 ZINC000023129895 212352592 /nfs/dbraw/zinc/35/25/92/212352592.db2.gz YHFJHAHJSVGFCZ-CQSZACIVSA-N 1 0 329.444 3.627 50 10 EHCARO COc1cc(Br)cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000004988650 210351082 /nfs/dbraw/zinc/35/10/82/210351082.db2.gz CQTBQBLBDYGNTD-GHMZBOCLSA-N 1 0 328.250 3.641 50 10 EHCARO Cc1cc(C(C)(C)C)cc(C[NH+]2CCN(c3ccccn3)CC2)c1O ZINC000023702571 563867250 /nfs/dbraw/zinc/86/72/50/563867250.db2.gz DHKSXCDPTDAEAQ-UHFFFAOYSA-N 1 0 339.483 3.715 50 10 EHCARO COc1ccc(-c2cn3c([n+]2Cc2ccccc2)SCCC3)cc1 ZINC000000239742 563989111 /nfs/dbraw/zinc/98/91/11/563989111.db2.gz FLZNIQYNWMEHMX-UHFFFAOYSA-N 1 0 337.468 3.995 50 10 EHCARO Cc1cc(C(=O)CNCc2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000061711065 564000305 /nfs/dbraw/zinc/00/03/05/564000305.db2.gz LLEXZMRWPGTEDK-UHFFFAOYSA-N 1 0 326.371 3.799 50 10 EHCARO CCOc1cccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1O ZINC000013943210 564020757 /nfs/dbraw/zinc/02/07/57/564020757.db2.gz KIFJDUSCTJSKOO-UHFFFAOYSA-N 1 0 340.467 3.730 50 10 EHCARO CC[NH+](CC)Cc1ccccc1NC(=O)N(C)Cc1ccccc1O ZINC000047569216 564026452 /nfs/dbraw/zinc/02/64/52/564026452.db2.gz BLNCBMVXRPICPH-UHFFFAOYSA-N 1 0 341.455 3.898 50 10 EHCARO O=[N+](Nc1nonc1-c1ccccc1)c1nonc1-c1ccccc1 ZINC000225396442 564084328 /nfs/dbraw/zinc/08/43/28/564084328.db2.gz LTOHYXXQLRPNJC-UHFFFAOYSA-N 1 0 335.303 3.604 50 10 EHCARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000089983556 564115997 /nfs/dbraw/zinc/11/59/97/564115997.db2.gz ITPKBYIVRRRUPV-OAHLLOKOSA-N 1 0 333.472 3.773 50 10 EHCARO Cc1ccc(C(C)C)c(O)c1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000095996995 564144284 /nfs/dbraw/zinc/14/42/84/564144284.db2.gz VZMNAYBXVJVILN-QGZVFWFLSA-N 1 0 344.499 3.562 50 10 EHCARO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1O ZINC000155218487 529627500 /nfs/dbraw/zinc/62/75/00/529627500.db2.gz DYPXYNXZKYZEEV-SFHVURJKSA-N 1 0 344.430 3.609 50 10 EHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(C)ccc2O)N3)C1 ZINC000004556439 210221010 /nfs/dbraw/zinc/22/10/10/210221010.db2.gz SKSDIZIZXPZAPR-INIZCTEOSA-N 1 0 343.452 3.569 50 10 EHCARO CN(C)c1ccc(/C=C/CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019634528 212052889 /nfs/dbraw/zinc/05/28/89/212052889.db2.gz OHXSISJYROCCPE-RMKNXTFCSA-N 1 0 335.495 3.584 50 10 EHCARO COc1cccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000078394092 217046758 /nfs/dbraw/zinc/04/67/58/217046758.db2.gz KTDXNBKHKPDTKJ-CYBMUJFWSA-N 1 0 331.412 3.577 50 10 EHCARO CCOc1ccccc1[C@H](c1cc2c(cc1O)OCO2)[NH+]1CCCC1 ZINC000006357361 563565997 /nfs/dbraw/zinc/56/59/97/563565997.db2.gz JIPHYNLAMLINND-HXUWFJFHSA-N 1 0 341.407 3.705 50 10 EHCARO CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNNc1ccccc1 ZINC000016694217 563820670 /nfs/dbraw/zinc/82/06/70/563820670.db2.gz ZBGXEBCIYPTCAE-WJDWOHSUSA-N 1 0 326.787 3.563 50 10 EHCARO Cc1noc([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)c(C)c3)C2)n1 ZINC000408519727 563993114 /nfs/dbraw/zinc/99/31/14/563993114.db2.gz VXZKLSZGOYKGAU-GOSISDBHSA-N 1 0 340.471 3.666 50 10 EHCARO Oc1ccc(Br)cc1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000022204739 1018498266 /nfs/dbraw/zinc/49/82/66/1018498266.db2.gz DUDJJSRTYYNMHC-INIZCTEOSA-N 1 0 343.224 3.871 50 10 EHCARO C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@H]1COc2ccccc2O1 ZINC000003415214 210032183 /nfs/dbraw/zinc/03/21/83/210032183.db2.gz YGRUCLUZIYWFDZ-INIZCTEOSA-N 1 0 335.403 3.817 50 10 EHCARO CCOc1ccccc1[C@@H](c1cc2c(cc1O)OCO2)[NH+]1CCCC1 ZINC000006357327 563565928 /nfs/dbraw/zinc/56/59/28/563565928.db2.gz JIPHYNLAMLINND-FQEVSTJZSA-N 1 0 341.407 3.705 50 10 EHCARO Cc1ccc(C)n1-c1ccc(C(=O)NN2Cc3ccccc3C2=[NH2+])cc1 ZINC000102187653 564019901 /nfs/dbraw/zinc/01/99/01/564019901.db2.gz VDMSWDHETHHQNG-UHFFFAOYSA-N 1 0 344.418 3.580 50 10 EHCARO CCOc1cc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)ccc1O ZINC000225534294 564047570 /nfs/dbraw/zinc/04/75/70/564047570.db2.gz DQRCPTZUEDPUFZ-UHFFFAOYSA-N 1 0 328.456 3.879 50 10 EHCARO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2OC(F)(F)O3)c1 ZINC000845971122 1136728413 /nfs/dbraw/zinc/72/84/13/1136728413.db2.gz HFVVNOONCWVWDZ-JTQLQIEISA-N 1 0 337.322 3.573 50 10 EHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(C)ccc2O)N3)C1 ZINC000004556440 210221083 /nfs/dbraw/zinc/22/10/83/210221083.db2.gz SKSDIZIZXPZAPR-MRXNPFEDSA-N 1 0 343.452 3.569 50 10 EHCARO CCOc1cccc(C[NH2+]Cc2ccc(OCC)c(OCC)c2)c1O ZINC000040477129 213312689 /nfs/dbraw/zinc/31/26/89/213312689.db2.gz ZJTWGHGADUIMPQ-UHFFFAOYSA-N 1 0 345.439 3.878 50 10 EHCARO COc1cccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000078394095 217046641 /nfs/dbraw/zinc/04/66/41/217046641.db2.gz KTDXNBKHKPDTKJ-ZDUSSCGKSA-N 1 0 331.412 3.577 50 10 EHCARO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c1 ZINC000012703453 563668019 /nfs/dbraw/zinc/66/80/19/563668019.db2.gz AUSRCOPVDSESEL-KRWDZBQOSA-N 1 0 330.403 3.616 50 10 EHCARO CC[C@H]([NH2+]C1CCN(c2cc(C)nc(C)n2)CC1)c1ccccc1O ZINC000097139540 563968155 /nfs/dbraw/zinc/96/81/55/563968155.db2.gz OLGPKRCAWFZOQH-SFHVURJKSA-N 1 0 340.471 3.509 50 10 EHCARO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000017318086 564011640 /nfs/dbraw/zinc/01/16/40/564011640.db2.gz YRAFAUKSTSOMOB-UHFFFAOYSA-N 1 0 334.847 3.713 50 10 EHCARO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1O)OCO2 ZINC000006209185 564082938 /nfs/dbraw/zinc/08/29/38/564082938.db2.gz SPLXOKOOXGAHON-UHFFFAOYSA-N 1 0 339.313 3.772 50 10 EHCARO C[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000013007988 564086488 /nfs/dbraw/zinc/08/64/88/564086488.db2.gz HIHAHAGJWODOQN-LLVKDONJSA-N 1 0 336.229 3.529 50 10 EHCARO CCOc1ccc(C[N@H+](Cc2c(O)cccc2OC)C2CC2)cc1 ZINC000055325565 214307879 /nfs/dbraw/zinc/30/78/79/214307879.db2.gz LOMNNSPWQRIAFR-UHFFFAOYSA-N 1 0 327.424 3.964 50 10 EHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C)cc2O)N3)C1 ZINC000004556160 210221184 /nfs/dbraw/zinc/22/11/84/210221184.db2.gz SQFDJBXSNGOISE-MRXNPFEDSA-N 1 0 343.452 3.569 50 10 EHCARO CC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)Cc2cc(OC)ccc2O1 ZINC000012453644 211386388 /nfs/dbraw/zinc/38/63/88/211386388.db2.gz HJWHXLJRJQNYRM-MRXNPFEDSA-N 1 0 343.423 3.583 50 10 EHCARO Oc1ccc2ccccc2c1C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000028812388 563904071 /nfs/dbraw/zinc/90/40/71/563904071.db2.gz ZHSQHTOLKBGLQZ-UHFFFAOYSA-N 1 0 346.474 3.906 50 10 EHCARO CN(C)c1ccc2c(c1)C[N@@H+](Cc1cn(C)c3ccccc13)CCO2 ZINC000575541687 1131568758 /nfs/dbraw/zinc/56/87/58/1131568758.db2.gz XZDCBSVZFRCRGG-UHFFFAOYSA-N 1 0 335.451 3.639 50 10 EHCARO CCOc1cccc(C[N@H+](CCCO)Cc2ccc(C)s2)c1O ZINC000055357759 214310641 /nfs/dbraw/zinc/31/06/41/214310641.db2.gz WHFGKMYVHQPXJM-UHFFFAOYSA-N 1 0 335.469 3.545 50 10 EHCARO C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1COc2ccccc2O1 ZINC000003415219 210033337 /nfs/dbraw/zinc/03/33/37/210033337.db2.gz YGRUCLUZIYWFDZ-MRXNPFEDSA-N 1 0 335.403 3.817 50 10 EHCARO Oc1ccc(Br)cc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000040477071 213312641 /nfs/dbraw/zinc/31/26/41/213312641.db2.gz WNPLJEXKXPAVGG-UHFFFAOYSA-N 1 0 328.156 3.723 50 10 EHCARO CN(C)c1ccc(/C=C/C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000217104 135647263 /nfs/dbraw/zinc/64/72/63/135647263.db2.gz BXGJULPKSFOLEA-ONEGZZNKSA-N 1 0 339.458 3.727 50 10 EHCARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c(O)c1 ZINC000015066025 563775122 /nfs/dbraw/zinc/77/51/22/563775122.db2.gz VBNASNOQRHFFDQ-OAHLLOKOSA-N 1 0 348.393 3.756 50 10 EHCARO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(N2CCCC2=O)cc1 ZINC000065475963 564106272 /nfs/dbraw/zinc/10/62/72/564106272.db2.gz AVLOJUPRTPXYMW-OAHLLOKOSA-N 1 0 336.435 3.599 50 10 EHCARO Cc1cn2c(C[NH2+]Cc3ccc(N4CCCC4)cc3)c(C)nc2s1 ZINC000069873620 564172628 /nfs/dbraw/zinc/17/26/28/564172628.db2.gz DCAYOOWGMQJABG-UHFFFAOYSA-N 1 0 340.496 3.903 50 10 EHCARO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1O ZINC000067692431 215188407 /nfs/dbraw/zinc/18/84/07/215188407.db2.gz QNCUWVZOFIKXCD-OAHLLOKOSA-N 1 0 337.423 3.657 50 10 EHCARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)cc1F ZINC000012386056 211364878 /nfs/dbraw/zinc/36/48/78/211364878.db2.gz SFFJXJQGQDRFDH-MRXNPFEDSA-N 1 0 343.398 3.635 50 10 EHCARO COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2CC(C)C)C1 ZINC000011789891 211248661 /nfs/dbraw/zinc/24/86/61/211248661.db2.gz RGOOQQHEGYTBLD-HNNXBMFYSA-N 1 0 343.471 3.702 50 10 EHCARO CC[n+]1c(/N=N/S(=O)(=O)c2ccccc2)ccc2ccccc21 ZINC000004822386 210287320 /nfs/dbraw/zinc/28/73/20/210287320.db2.gz MDSQHNCDVGNOCW-UHFFFAOYSA-N 1 0 326.401 3.620 50 10 EHCARO C[N@@H+]1CCC/C1=C/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000004506929 210208082 /nfs/dbraw/zinc/20/80/82/210208082.db2.gz QSSGVXLJPZQBRE-TYPNBTCFSA-N 1 0 330.478 3.540 50 10 EHCARO Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3cccs3)C2)c1C ZINC000003912331 210092432 /nfs/dbraw/zinc/09/24/32/210092432.db2.gz GXLZZTUVWOPANS-SFHVURJKSA-N 1 0 345.513 3.536 50 10 EHCARO COc1ccc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cc1 ZINC000021548631 212231699 /nfs/dbraw/zinc/23/16/99/212231699.db2.gz FPUSTKCTAAALJW-UHFFFAOYSA-N 1 0 348.446 3.876 50 10 EHCARO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)c3sccc3C)C2)c1 ZINC000012464256 211390489 /nfs/dbraw/zinc/39/04/89/211390489.db2.gz FXQRYZNCQKECNT-AWEZNQCLSA-N 1 0 345.464 3.866 50 10 EHCARO Cc1oc2cc(C[NH+](C)C)c(O)cc2c(=O)c1Oc1ccccc1 ZINC000005921244 563554403 /nfs/dbraw/zinc/55/44/03/563554403.db2.gz AKPQYYNKSWYDQY-UHFFFAOYSA-N 1 0 325.364 3.661 50 10 EHCARO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000075584104 563921499 /nfs/dbraw/zinc/92/14/99/563921499.db2.gz OQKWPZGBOKKZKC-QGZVFWFLSA-N 1 0 325.456 3.740 50 10 EHCARO Oc1ccc(-c2ccc(F)cc2)cc1C[NH2+]CCCn1ccnc1 ZINC000045373457 563929189 /nfs/dbraw/zinc/92/91/89/563929189.db2.gz ZVCFJGDNNHVKNO-UHFFFAOYSA-N 1 0 325.387 3.575 50 10 EHCARO Cc1ccc(SC[C@@H]2C[NH2+][C@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000057851479 564156159 /nfs/dbraw/zinc/15/61/59/564156159.db2.gz MGKNDNROQRNEFK-HKUYNNGSSA-N 1 0 328.481 3.840 50 10 EHCARO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)cc1 ZINC000008189649 564163440 /nfs/dbraw/zinc/16/34/40/564163440.db2.gz HINPLPFTMJKWLY-KRWDZBQOSA-N 1 0 341.407 3.857 50 10 EHCARO Oc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000069566362 564170515 /nfs/dbraw/zinc/17/05/15/564170515.db2.gz HDFMBXRBPULTTP-IBGZPJMESA-N 1 0 333.435 3.804 50 10 EHCARO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000355123955 1127502288 /nfs/dbraw/zinc/50/22/88/1127502288.db2.gz NVPDZXCZXXHBLA-UHFFFAOYSA-N 1 0 334.467 3.772 50 10 EHCARO CCOc1ccccc1C[N@H+](Cc1cccc(OC)c1O)C1CC1 ZINC000055119197 214276707 /nfs/dbraw/zinc/27/67/07/214276707.db2.gz ZGJCYZYCVAUKJQ-UHFFFAOYSA-N 1 0 327.424 3.964 50 10 EHCARO Oc1ccc(Br)cc1C[NH2+]Cc1ccc(F)cc1F ZINC000040477070 213313063 /nfs/dbraw/zinc/31/30/63/213313063.db2.gz MCUIWKNPJORJLS-UHFFFAOYSA-N 1 0 328.156 3.723 50 10 EHCARO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000152963020 526651470 /nfs/dbraw/zinc/65/14/70/526651470.db2.gz IDEOMNIXJIFJDZ-QGZVFWFLSA-N 1 0 346.515 3.698 50 10 EHCARO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)nc3sc(C)cn32)c1 ZINC000585140863 563973347 /nfs/dbraw/zinc/97/33/47/563973347.db2.gz KFYSVAVNVVLDGH-LLVKDONJSA-N 1 0 331.441 3.578 50 10 EHCARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccccc1O ZINC000000532364 564021578 /nfs/dbraw/zinc/02/15/78/564021578.db2.gz LBLJCDSPZCIXEZ-UHFFFAOYSA-N 1 0 338.455 3.696 50 10 EHCARO c1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952971970 1137484174 /nfs/dbraw/zinc/48/41/74/1137484174.db2.gz VYOQBLBDHOBXOB-LJQANCHMSA-N 1 0 336.435 3.661 50 10 EHCARO Cc1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)ccc1F ZINC000078552344 217073537 /nfs/dbraw/zinc/07/35/37/217073537.db2.gz VCTHPXCFHADXGH-UHFFFAOYSA-N 1 0 342.458 3.633 50 10 EHCARO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(C)c3C)CC2)cc1 ZINC000000294250 563274114 /nfs/dbraw/zinc/27/41/14/563274114.db2.gz RJXHZHNIFTZJLM-UHFFFAOYSA-N 1 0 340.467 3.643 50 10 EHCARO COc1ccc(N2CCC[N@H+](CCOc3ccc(C)cc3)CC2)cc1 ZINC000084157208 564067071 /nfs/dbraw/zinc/06/70/71/564067071.db2.gz ATVNQKZBDJHVNR-UHFFFAOYSA-N 1 0 340.467 3.595 50 10 EHCARO CCc1c(C[NH+]2CCN(c3ccc(OC)cc3)CC2)csc1C ZINC000006797736 564098079 /nfs/dbraw/zinc/09/80/79/564098079.db2.gz SVIXWAPBNZFZBT-UHFFFAOYSA-N 1 0 330.497 3.950 50 10 EHCARO CN(C)c1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019537622 212040488 /nfs/dbraw/zinc/04/04/88/212040488.db2.gz WGLXGFHKJSEEOM-RMKNXTFCSA-N 1 0 335.495 3.584 50 10 EHCARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000075260761 564081300 /nfs/dbraw/zinc/08/13/00/564081300.db2.gz YYFNBJAFBWYTFY-KRWDZBQOSA-N 1 0 340.467 3.626 50 10 EHCARO C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3 ZINC000002549607 564150692 /nfs/dbraw/zinc/15/06/92/564150692.db2.gz DXYXRSDPVQPTJR-CYBMUJFWSA-N 1 0 327.424 3.752 50 10 EHCARO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066970187 215100390 /nfs/dbraw/zinc/10/03/90/215100390.db2.gz YIABXQJALPUILN-OAHLLOKOSA-N 1 0 344.430 3.522 50 10 EHCARO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(C)C)C2)c1 ZINC000020202295 212110904 /nfs/dbraw/zinc/11/09/04/212110904.db2.gz COLYYMDVRUPQJI-CQSZACIVSA-N 1 0 329.444 3.627 50 10 EHCARO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(N2CCCC2=O)cc1 ZINC000065475961 564106257 /nfs/dbraw/zinc/10/62/57/564106257.db2.gz AVLOJUPRTPXYMW-HNNXBMFYSA-N 1 0 336.435 3.599 50 10 EHCARO Oc1ccc(-c2nc3ccccc3s2)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000299785676 564150700 /nfs/dbraw/zinc/15/07/00/564150700.db2.gz LETZDBAKPRAEMR-HNNXBMFYSA-N 1 0 340.448 3.938 50 10 EHCARO CCN1c2ccccc2SC1=Cc1cc(C)[n+](CCO)c(C)c1 ZINC000003166579 564155588 /nfs/dbraw/zinc/15/55/88/564155588.db2.gz CCBRMHUVBWDKFF-UHFFFAOYSA-N 1 0 327.473 3.708 50 10 EHCARO Cc1ccc([C@@H]2c3[nH]cnc3CC[N@H+]2Cc2cc(C)ccc2O)cc1 ZINC000067491104 215155172 /nfs/dbraw/zinc/15/51/72/215155172.db2.gz XCTGVXARRSBCNV-OAQYLSRUSA-N 1 0 333.435 3.880 50 10 EHCARO Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019288068 212012027 /nfs/dbraw/zinc/01/20/27/212012027.db2.gz IORFJSWONDTTNA-UHFFFAOYSA-N 1 0 332.447 3.863 50 10 EHCARO Cc1c([N+](=O)[O-])c2ccc(O)c(C[NH+](C)C)c2n1-c1ccccc1 ZINC000000292269 563273904 /nfs/dbraw/zinc/27/39/04/563273904.db2.gz FGZGOWHRLOCYLK-UHFFFAOYSA-N 1 0 325.368 3.614 50 10 EHCARO COc1cc2c(cc1OC)C(/C=C/c1ccc(N(C)C)cc1)=NCC2 ZINC000000488118 564017339 /nfs/dbraw/zinc/01/73/39/564017339.db2.gz PWSDHMIEMOPUPB-JXMROGBWSA-N 1 0 336.435 3.828 50 10 biogenic EHCARO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000075612502 564089860 /nfs/dbraw/zinc/08/98/60/564089860.db2.gz JSGKMIJVSGULQM-HXUWFJFHSA-N 1 0 348.487 3.651 50 10 EHCARO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3cccs3)C2)cc1C ZINC000952972540 1137484335 /nfs/dbraw/zinc/48/43/35/1137484335.db2.gz HAYRQWYLRIVTON-QGZVFWFLSA-N 1 0 330.497 3.819 50 10 EHCARO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000066970181 215100438 /nfs/dbraw/zinc/10/04/38/215100438.db2.gz YWDFFAHRFVCJRY-AWEZNQCLSA-N 1 0 332.394 3.652 50 10 EHCARO COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)c1O ZINC000019301000 212014527 /nfs/dbraw/zinc/01/45/27/212014527.db2.gz PJDABHGCRWRRRH-HNNXBMFYSA-N 1 0 343.471 3.702 50 10 EHCARO COc1ccc(N2CCC([N@H+](C)[C@@H](C)c3ccncc3)CC2)cc1 ZINC000065406972 563960382 /nfs/dbraw/zinc/96/03/82/563960382.db2.gz YZHQASGZAKTHOE-INIZCTEOSA-N 1 0 325.456 3.752 50 10 EHCARO CCN(CC)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000055292268 535684663 /nfs/dbraw/zinc/68/46/63/535684663.db2.gz BPXSPISGMOLMCO-UHFFFAOYSA-N 1 0 341.474 3.994 50 10 EHCARO CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1O ZINC000023282266 563919424 /nfs/dbraw/zinc/91/94/24/563919424.db2.gz QCCKJKZHIICWFC-UHFFFAOYSA-N 1 0 346.858 3.767 50 10 EHCARO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1O ZINC000248540270 564072394 /nfs/dbraw/zinc/07/23/94/564072394.db2.gz BFEOHTMAOUQYPU-LSTHTHJFSA-N 1 0 339.483 3.739 50 10 EHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(C)c2O)N3)C1 ZINC000006654914 564095496 /nfs/dbraw/zinc/09/54/96/564095496.db2.gz NZHYPXLFJKFDJS-MRXNPFEDSA-N 1 0 343.452 3.569 50 10 EHCARO O[C@@]1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 ZINC000002966009 209945930 /nfs/dbraw/zinc/94/59/30/209945930.db2.gz RCQNJIHIUFNCDD-GOSISDBHSA-N 1 0 345.875 3.511 50 10 EHCARO CC(=O)c1cc(Cl)cc(C[N+](C)(C)CCOc2ccccc2)c1O ZINC000003148976 563474848 /nfs/dbraw/zinc/47/48/48/563474848.db2.gz FABWFDLVLSFHKP-UHFFFAOYSA-O 1 0 348.850 3.904 50 10 EHCARO COc1ccc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCCCC2)cc1 ZINC000005257137 563524378 /nfs/dbraw/zinc/52/43/78/563524378.db2.gz VXUBMVYKZKUFMX-HXUWFJFHSA-N 1 0 341.407 3.705 50 10 EHCARO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000014957542 563768105 /nfs/dbraw/zinc/76/81/05/563768105.db2.gz WAGCCCQWELDCPB-MRXNPFEDSA-N 1 0 330.403 3.616 50 10 EHCARO O=C(c1ccccc1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000033034021 563932065 /nfs/dbraw/zinc/93/20/65/563932065.db2.gz PRJIVAPDQYSLPG-UHFFFAOYSA-N 1 0 346.430 3.503 50 10 EHCARO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2)ccc1N1CCCCC1 ZINC000006787284 564097766 /nfs/dbraw/zinc/09/77/66/564097766.db2.gz MSJRXGIKJOBUNR-UHFFFAOYSA-N 1 0 325.412 3.875 50 10 EHCARO COc1cc(Br)cc(C[NH2+]Cc2cccs2)c1O ZINC000069771103 564172056 /nfs/dbraw/zinc/17/20/56/564172056.db2.gz JJPQSUTUVZEDOL-UHFFFAOYSA-N 1 0 328.231 3.515 50 10 EHCARO