smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Cl)cc(C[NH2+][C@@H](C)Cc2ccc(C)s2)c1[O-] ZINC000228674870 1032160546 /nfs/dbraw/zinc/16/05/46/1032160546.db2.gz OTEFLYIAROUOJV-JTQLQIEISA-N 0 3 325.861 4.145 20 10 EICDHN CCC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000728927153 1032915898 /nfs/dbraw/zinc/91/58/98/1032915898.db2.gz JITVBCQUNOSRII-UHFFFAOYSA-N 0 3 347.842 4.229 20 10 EICDHN CCC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000728927153 1032915930 /nfs/dbraw/zinc/91/59/30/1032915930.db2.gz JITVBCQUNOSRII-UHFFFAOYSA-N 0 3 347.842 4.229 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1[O-] ZINC000310661571 1021494254 /nfs/dbraw/zinc/49/42/54/1021494254.db2.gz ZIBKHRVTOSEILF-VYDXJSESSA-N 0 3 348.487 4.221 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000376168582 1021653064 /nfs/dbraw/zinc/65/30/64/1021653064.db2.gz XKRCLJBHOSJWEZ-AWEZNQCLSA-N 0 3 326.371 4.052 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000376168582 1021653065 /nfs/dbraw/zinc/65/30/65/1021653065.db2.gz XKRCLJBHOSJWEZ-AWEZNQCLSA-N 0 3 326.371 4.052 20 10 EICDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000376341223 1022228425 /nfs/dbraw/zinc/22/84/25/1022228425.db2.gz YVDVXEPAZTXUDM-LJQANCHMSA-N 0 3 338.451 4.194 20 10 EICDHN C[C@H](c1ccccc1)[N@H+](CCCn1ccnc1)Cc1ccccc1[O-] ZINC000179647636 1022362513 /nfs/dbraw/zinc/36/25/13/1022362513.db2.gz TZLMQSASIPRUAV-GOSISDBHSA-N 0 3 335.451 4.242 20 10 EICDHN C[C@H](c1ccccc1)[N@@H+](CCCn1ccnc1)Cc1ccccc1[O-] ZINC000179647636 1022362529 /nfs/dbraw/zinc/36/25/29/1022362529.db2.gz TZLMQSASIPRUAV-GOSISDBHSA-N 0 3 335.451 4.242 20 10 EICDHN CC(C)[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000185140355 1023010675 /nfs/dbraw/zinc/01/06/75/1023010675.db2.gz PYFKFAYNGFAUMO-XIKOKIGWSA-N 0 3 327.403 4.456 20 10 EICDHN CCOCCOc1cc(C)ccc1C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000156309259 1023458871 /nfs/dbraw/zinc/45/88/71/1023458871.db2.gz QOWISUUABBQXDR-LJQANCHMSA-N 0 3 343.467 4.357 20 10 EICDHN C[C@H](NCc1ccc(OC2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000162624536 1023624634 /nfs/dbraw/zinc/62/46/34/1023624634.db2.gz HNXFGGLYXRZESE-INIZCTEOSA-N 0 3 339.483 4.320 20 10 EICDHN C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1cc(F)ccc1[O-] ZINC000377745242 1023736188 /nfs/dbraw/zinc/73/61/88/1023736188.db2.gz NBHSRGHGTIOSLL-VBKZILBWSA-N 0 3 341.426 4.276 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccccc1[O-] ZINC000156833906 1025668620 /nfs/dbraw/zinc/66/86/20/1025668620.db2.gz HCJBCHLSPRMISP-OALUTQOASA-N 0 3 327.468 4.235 20 10 EICDHN CC[N@H+](Cc1ccc(C)c(Br)c1)Cc1ccccc1[O-] ZINC001139731212 1026363252 /nfs/dbraw/zinc/36/32/52/1026363252.db2.gz FJIUJYCOJKVSPT-UHFFFAOYSA-N 0 3 334.257 4.485 20 10 EICDHN CC[N@@H+](Cc1ccc(C)c(Br)c1)Cc1ccccc1[O-] ZINC001139731212 1026363274 /nfs/dbraw/zinc/36/32/74/1026363274.db2.gz FJIUJYCOJKVSPT-UHFFFAOYSA-N 0 3 334.257 4.485 20 10 EICDHN C[C@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1cnn(C)c1 ZINC000119348324 1027313323 /nfs/dbraw/zinc/31/33/23/1027313323.db2.gz KULHFWZLJBOXDO-INIZCTEOSA-N 0 3 326.488 4.040 20 10 EICDHN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccc(Br)cn2)c1 ZINC000281195288 1028430975 /nfs/dbraw/zinc/43/09/75/1028430975.db2.gz RNZKLBFIRGCDFU-NEPJUHHUSA-N 0 3 335.245 4.270 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC000156966592 1028882257 /nfs/dbraw/zinc/88/22/57/1028882257.db2.gz DOJVKZDSPJGGHU-RHSMWYFYSA-N 0 3 337.423 4.287 20 10 EICDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367317021 1029338854 /nfs/dbraw/zinc/33/88/54/1029338854.db2.gz GZEWFWDIUVFSHL-QFBILLFUSA-N 0 3 339.483 4.256 20 10 EICDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367317021 1029338868 /nfs/dbraw/zinc/33/88/68/1029338868.db2.gz GZEWFWDIUVFSHL-QFBILLFUSA-N 0 3 339.483 4.256 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1c[nH]nc1-c1cccc(C)c1 ZINC000475189028 1029351675 /nfs/dbraw/zinc/35/16/75/1029351675.db2.gz CQRJIZZNMJHNPC-UHFFFAOYSA-N 0 3 344.462 4.475 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000475194537 1029404889 /nfs/dbraw/zinc/40/48/89/1029404889.db2.gz FIEOJIVQPIEOLG-UHFFFAOYSA-N 0 3 344.462 4.475 20 10 EICDHN COCC[C@@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000840835835 1029530953 /nfs/dbraw/zinc/53/09/53/1029530953.db2.gz QZNZUACSDGZCBP-YLJYHZDGSA-N 0 3 327.468 4.328 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)c1[O-] ZINC000840860624 1029628581 /nfs/dbraw/zinc/62/85/81/1029628581.db2.gz VCAJIESTSLAYOL-NHCYSSNCSA-N 0 3 330.291 4.008 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c([O-])c1 ZINC000186192576 1030254588 /nfs/dbraw/zinc/25/45/88/1030254588.db2.gz ISWRJLVSKYSLEO-HUUCEWRRSA-N 0 3 337.423 4.205 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000179584440 1031221746 /nfs/dbraw/zinc/22/17/46/1031221746.db2.gz PPUAZBVUGHLAMG-IBGZPJMESA-N 0 3 339.460 4.190 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000179584440 1031221771 /nfs/dbraw/zinc/22/17/71/1031221771.db2.gz PPUAZBVUGHLAMG-IBGZPJMESA-N 0 3 339.460 4.190 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000179583777 1031223403 /nfs/dbraw/zinc/22/34/03/1031223403.db2.gz ZBQLLBXTWMYRTH-HNNXBMFYSA-N 0 3 328.481 4.107 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000179583777 1031223437 /nfs/dbraw/zinc/22/34/37/1031223437.db2.gz ZBQLLBXTWMYRTH-HNNXBMFYSA-N 0 3 328.481 4.107 20 10 EICDHN C[C@H](c1ccccc1)[N@H+](CCC1OCCCO1)Cc1ccccc1[O-] ZINC000272055730 1037090412 /nfs/dbraw/zinc/09/04/12/1037090412.db2.gz RFKIZQMXRAXACN-QGZVFWFLSA-N 0 3 341.451 4.109 20 10 EICDHN C[C@H](c1ccccc1)[N@@H+](CCC1OCCCO1)Cc1ccccc1[O-] ZINC000272055730 1037090424 /nfs/dbraw/zinc/09/04/24/1037090424.db2.gz RFKIZQMXRAXACN-QGZVFWFLSA-N 0 3 341.451 4.109 20 10 EICDHN COCC[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccco1 ZINC000273425208 1037460334 /nfs/dbraw/zinc/46/03/34/1037460334.db2.gz KBKFXELNVOHRNC-KSSFIOAISA-N 0 3 329.440 4.292 20 10 EICDHN O=C(Nc1cccc(N2CCCC2)c1)c1cccc(CN2CCCC2)c1 ZINC000064026725 1038951685 /nfs/dbraw/zinc/95/16/85/1038951685.db2.gz MIANZPAVMHNVLS-UHFFFAOYSA-N 0 3 349.478 4.135 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000311231104 1039912568 /nfs/dbraw/zinc/91/25/68/1039912568.db2.gz ZVNKZFZXKMNXKO-UHFFFAOYSA-N 0 3 337.394 4.400 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1[O-] ZINC000761498757 1042871165 /nfs/dbraw/zinc/87/11/65/1042871165.db2.gz HACMTTIIGVUIJX-IFXJQAMLSA-N 0 3 346.421 4.238 20 10 EICDHN CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1[O-] ZINC000761498759 1042871264 /nfs/dbraw/zinc/87/12/64/1042871264.db2.gz HACMTTIIGVUIJX-KUHUBIRLSA-N 0 3 346.421 4.238 20 10 EICDHN CCN(C)c1ccc([C@@H](C)NCc2cnn(Cc3ccccc3)c2)cc1 ZINC000152594412 1042913815 /nfs/dbraw/zinc/91/38/15/1042913815.db2.gz VYQNPMLDMHCYTO-GOSISDBHSA-N 0 3 348.494 4.238 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000766030764 1043061683 /nfs/dbraw/zinc/06/16/83/1043061683.db2.gz XGTRLFYLRGJSRA-KRWDZBQOSA-N 0 3 334.467 4.098 20 10 EICDHN c1ccc2ncc(CNCc3ccc(N4CCSCC4)cc3)cc2c1 ZINC000727467367 1043227291 /nfs/dbraw/zinc/22/72/91/1043227291.db2.gz UOEYPEJQMITOEO-UHFFFAOYSA-N 0 3 349.503 4.078 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCOc3cc(OC)ccc32)cc1 ZINC000766188538 1043381474 /nfs/dbraw/zinc/38/14/74/1043381474.db2.gz RLNPTSPVNPSMFY-YWZLYKJASA-N 0 3 340.467 4.326 20 10 EICDHN Cc1nc(C)c(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])s1 ZINC000731041832 1043682280 /nfs/dbraw/zinc/68/22/80/1043682280.db2.gz ZGTPJULMTQPKCA-UHFFFAOYSA-N 0 3 338.476 4.465 20 10 EICDHN C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)c1ccccc1[O-] ZINC000783503535 1043693933 /nfs/dbraw/zinc/69/39/33/1043693933.db2.gz CIRVPUBUOOTBFN-NSHDSACASA-N 0 3 338.220 4.187 20 10 EICDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1SC ZINC000731752216 1043823128 /nfs/dbraw/zinc/82/31/28/1043823128.db2.gz UNKXMPVUCOVIIK-UHFFFAOYSA-N 0 3 330.497 4.115 20 10 EICDHN C[C@H](N[C@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766140402 1044334825 /nfs/dbraw/zinc/33/48/25/1044334825.db2.gz WIBKTBBZBFWMPW-LAUBAEHRSA-N 0 3 334.467 4.041 20 10 EICDHN C[C@@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000704004774 1044373850 /nfs/dbraw/zinc/37/38/50/1044373850.db2.gz LUUWGUFMMCVNPH-OAHLLOKOSA-N 0 3 348.487 4.080 20 10 EICDHN COc1cc(C)cc(CNCc2ccsc2C(F)(F)F)c1O ZINC000895415066 1044731881 /nfs/dbraw/zinc/73/18/81/1044731881.db2.gz KAJAVHZICDGUMG-UHFFFAOYSA-N 0 3 331.359 4.079 20 10 EICDHN COc1cc([C@@H](C)NCc2ccc3c(c2)CCCN3C)ccc1F ZINC000153392440 1044841921 /nfs/dbraw/zinc/84/19/21/1044841921.db2.gz GFHZZMKBNHXHOW-CQSZACIVSA-N 0 3 328.431 4.068 20 10 EICDHN CCN(C)c1ccccc1CNCc1ccc(N(CC)CC)c(F)c1 ZINC000740005462 1045174444 /nfs/dbraw/zinc/17/44/44/1045174444.db2.gz CYZAFHNYWGHMNB-UHFFFAOYSA-N 0 3 343.490 4.418 20 10 EICDHN CCCN(CC(=O)Nc1ccccc1C)Cc1cc(C)c(C)cc1O ZINC000915814780 1045474902 /nfs/dbraw/zinc/47/49/02/1045474902.db2.gz OQEBBZJZUKBZFX-UHFFFAOYSA-N 0 3 340.467 4.168 20 10 EICDHN COc1cc(CN(C)Cc2ccc(F)cc2)c(O)c(C(C)(C)C)c1 ZINC000915826199 1045498118 /nfs/dbraw/zinc/49/81/18/1045498118.db2.gz VDLWHBSAIBWUTE-UHFFFAOYSA-N 0 3 331.431 4.469 20 10 EICDHN COc1cccc(CN[C@@H](CC(F)(F)F)c2ccccc2C)c1O ZINC000767740544 1045625326 /nfs/dbraw/zinc/62/53/26/1045625326.db2.gz WHQYOCTYVVJOTL-HNNXBMFYSA-N 0 3 339.357 4.493 20 10 EICDHN CN(C)c1ccc(CN(Cc2cnc3ccccc3c2)C2CC2)cc1 ZINC000768256301 1045769441 /nfs/dbraw/zinc/76/94/41/1045769441.db2.gz BGJOZNAUDDMNBQ-UHFFFAOYSA-N 0 3 331.463 4.465 20 10 EICDHN CCCn1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000768353474 1045796222 /nfs/dbraw/zinc/79/62/22/1045796222.db2.gz VIGKJHQBKHMJOR-UHFFFAOYSA-N 0 3 342.531 4.387 20 10 EICDHN CC(C)OC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768993402 1045868275 /nfs/dbraw/zinc/86/82/75/1045868275.db2.gz WBELBQAIKQVOAM-UHFFFAOYSA-N 0 3 325.452 4.449 20 10 EICDHN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000769149001 1045884975 /nfs/dbraw/zinc/88/49/75/1045884975.db2.gz WQJYCVKUNHZAFJ-HZPDHXFCSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000769149001 1045884972 /nfs/dbraw/zinc/88/49/72/1045884972.db2.gz WQJYCVKUNHZAFJ-HZPDHXFCSA-N 0 3 336.907 4.132 20 10 EICDHN CCC[N@H+](Cc1ccc(OC)c(COCC)c1)Cc1ccccc1[O-] ZINC000769201397 1045894389 /nfs/dbraw/zinc/89/43/89/1045894389.db2.gz SZYIVNGOIAPBLV-UHFFFAOYSA-N 0 3 343.467 4.350 20 10 EICDHN CCC[N@@H+](Cc1ccc(OC)c(COCC)c1)Cc1ccccc1[O-] ZINC000769201397 1045894392 /nfs/dbraw/zinc/89/43/92/1045894392.db2.gz SZYIVNGOIAPBLV-UHFFFAOYSA-N 0 3 343.467 4.350 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769487404 1045970049 /nfs/dbraw/zinc/97/00/49/1045970049.db2.gz WRPOCLMMVWQWPB-JOCHJYFZSA-N 0 3 337.463 4.452 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769487404 1045970028 /nfs/dbraw/zinc/97/00/28/1045970028.db2.gz WRPOCLMMVWQWPB-JOCHJYFZSA-N 0 3 337.463 4.452 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2)c([O-])c1 ZINC000237444951 1046033392 /nfs/dbraw/zinc/03/33/92/1046033392.db2.gz FZADKKCGNIJFMA-UHFFFAOYSA-N 0 3 349.430 4.270 20 10 EICDHN COc1ccc(CNCc2ccccc2OCc2ccccc2)c(O)c1 ZINC000237444951 1046033412 /nfs/dbraw/zinc/03/34/12/1046033412.db2.gz FZADKKCGNIJFMA-UHFFFAOYSA-N 0 3 349.430 4.270 20 10 EICDHN CC[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccncc1 ZINC000792991816 1046121281 /nfs/dbraw/zinc/12/12/81/1046121281.db2.gz JZHDQQLDTKJEOK-KRWDZBQOSA-N 0 3 337.389 4.407 20 10 EICDHN Cc1ccncc1[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000793043242 1046128643 /nfs/dbraw/zinc/12/86/43/1046128643.db2.gz WEZRDZJRHYSPET-ZDUSSCGKSA-N 0 3 337.389 4.326 20 10 EICDHN CN(C)c1ccc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)cc1F ZINC000770293932 1046174110 /nfs/dbraw/zinc/17/41/10/1046174110.db2.gz ZTJNSLLOBPSKEQ-MAUKXSAKSA-N 0 3 348.487 4.041 20 10 EICDHN CN(Cc1n[nH]c2ccccc21)Cc1ccc(N2CCCCC2)cc1 ZINC000771935146 1046529444 /nfs/dbraw/zinc/52/94/44/1046529444.db2.gz KRRGXVARQZFQHS-UHFFFAOYSA-N 0 3 334.467 4.185 20 10 EICDHN CN(Cc1[nH]nc2ccccc21)Cc1ccc(N2CCCCC2)cc1 ZINC000771935146 1046529469 /nfs/dbraw/zinc/52/94/69/1046529469.db2.gz KRRGXVARQZFQHS-UHFFFAOYSA-N 0 3 334.467 4.185 20 10 EICDHN CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1C)N(C)C)c1ccccc1[O-] ZINC000785571932 1046722505 /nfs/dbraw/zinc/72/25/05/1046722505.db2.gz CSXCOYISSYOBLK-LKUPVBHCSA-N 0 3 326.484 4.433 20 10 EICDHN CCCCOc1ncccc1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000788566188 1047234664 /nfs/dbraw/zinc/23/46/64/1047234664.db2.gz YZJVCJZVNRNMLP-MRXNPFEDSA-N 0 3 328.456 4.434 20 10 EICDHN Cc1noc(C2CCC([NH2+][C@@H](C)c3c(C)cc(C)cc3[O-])CC2)n1 ZINC000788670575 1047270917 /nfs/dbraw/zinc/27/09/17/1047270917.db2.gz UIRJBUOVRNTRSZ-JEYLPNPQSA-N 0 3 329.444 4.077 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)c1[O-] ZINC000789778126 1047474013 /nfs/dbraw/zinc/47/40/13/1047474013.db2.gz DMTJAAASSXFXPM-MJGOQNOKSA-N 0 3 333.859 4.202 20 10 EICDHN COc1cc(Cl)cc(CNCc2ccc(C3CC3)cc2F)c1O ZINC000814170547 1047873889 /nfs/dbraw/zinc/87/38/89/1047873889.db2.gz YKWPTKMYZOZRGN-UHFFFAOYSA-N 0 3 335.806 4.361 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c1[O-] ZINC000808680129 1048035176 /nfs/dbraw/zinc/03/51/76/1048035176.db2.gz CQRYAAYWZZHBAN-KGLIPLIRSA-N 0 3 331.843 4.256 20 10 EICDHN Cc1ccc(O)c(CN[C@](C)(CO)c2cc(Cl)cc(Cl)c2)c1 ZINC000825130482 1048039751 /nfs/dbraw/zinc/03/97/51/1048039751.db2.gz YUPZUVJHVMKRBQ-QGZVFWFLSA-N 0 3 340.250 4.005 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)c1[O-] ZINC000808694366 1048042196 /nfs/dbraw/zinc/04/21/96/1048042196.db2.gz FAFBSOHOHHDCLT-BZNIZROVSA-N 0 3 331.847 4.181 20 10 EICDHN COc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1OC ZINC000808671879 1048045305 /nfs/dbraw/zinc/04/53/05/1048045305.db2.gz UNQDWMCHGRITPS-ZDUSSCGKSA-N 0 3 349.858 4.265 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCn2cnc3ccccc32)c1[O-] ZINC000808672728 1048046928 /nfs/dbraw/zinc/04/69/28/1048046928.db2.gz RYMKVJHEGZRIHX-CQSZACIVSA-N 0 3 343.858 4.445 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCSCC(F)(F)F)c1[O-] ZINC000808709094 1048054961 /nfs/dbraw/zinc/05/49/61/1048054961.db2.gz BSNQRHSCAHWMMJ-VIFPVBQESA-N 0 3 327.799 4.300 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c1[O-] ZINC000808707761 1048057203 /nfs/dbraw/zinc/05/72/03/1048057203.db2.gz XZJGIXWVGHCUDG-SUNYJGFJSA-N 0 3 333.859 4.169 20 10 EICDHN CC[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1[O-] ZINC000155112552 1048169414 /nfs/dbraw/zinc/16/94/14/1048169414.db2.gz SMTVJMIYBOLVTN-IBGZPJMESA-N 0 3 325.452 4.181 20 10 EICDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc2ccccc2o1 ZINC000815112588 1048327694 /nfs/dbraw/zinc/32/76/94/1048327694.db2.gz VGKXFMOXAVNOOH-LJQANCHMSA-N 0 3 339.435 4.474 20 10 EICDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc2ccccc2o1 ZINC000815112588 1048327712 /nfs/dbraw/zinc/32/77/12/1048327712.db2.gz VGKXFMOXAVNOOH-LJQANCHMSA-N 0 3 339.435 4.474 20 10 EICDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171146397 1048458870 /nfs/dbraw/zinc/45/88/70/1048458870.db2.gz CEDHMNJTGGJPRO-ZDUSSCGKSA-N 0 3 338.234 4.052 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1[O-] ZINC000809776574 1048505799 /nfs/dbraw/zinc/50/57/99/1048505799.db2.gz JPOHUMDOGITSHP-MRXNPFEDSA-N 0 3 340.250 4.221 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c([O-])c1 ZINC000815559096 1048508151 /nfs/dbraw/zinc/50/81/51/1048508151.db2.gz XOHAUONWXPUCKF-GOSISDBHSA-N 0 3 339.479 4.408 20 10 EICDHN Cc1nccn1CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815561190 1048509369 /nfs/dbraw/zinc/50/93/69/1048509369.db2.gz AMLVQKDHTGFFEU-OAQYLSRUSA-N 0 3 349.478 4.251 20 10 EICDHN Cc1cccc(CNCc2ccncc2OCCC(C)(C)C)c1O ZINC000809783847 1048532619 /nfs/dbraw/zinc/53/26/19/1048532619.db2.gz NEOWBSWYWCKALG-UHFFFAOYSA-N 0 3 328.456 4.200 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOC(F)(F)F ZINC000815619167 1048544777 /nfs/dbraw/zinc/54/47/77/1048544777.db2.gz FLDISOOOWGBPIG-MRXNPFEDSA-N 0 3 339.357 4.192 20 10 EICDHN COc1cccc(C2(C[NH2+][C@H](C)c3c(C)cc(C)cc3[O-])CC2)c1 ZINC000815626623 1048550622 /nfs/dbraw/zinc/55/06/22/1048550622.db2.gz IMVOFYUKVTXZJY-MRXNPFEDSA-N 0 3 325.452 4.400 20 10 EICDHN CC(C)(C)OCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815604574 1048555988 /nfs/dbraw/zinc/55/59/88/1048555988.db2.gz TXDYBIDVJQALKO-LJQANCHMSA-N 0 3 327.468 4.471 20 10 EICDHN CSc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])N(C)C)cc1 ZINC000815660097 1048561927 /nfs/dbraw/zinc/56/19/27/1048561927.db2.gz RHCUQFMQUVJNKN-SCLBCKFNSA-N 0 3 348.487 4.207 20 10 EICDHN CSc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])N(C)C)cc1 ZINC000815660184 1048562149 /nfs/dbraw/zinc/56/21/49/1048562149.db2.gz UBDWRWWSTMKXOJ-BEFAXECRSA-N 0 3 344.524 4.376 20 10 EICDHN CSc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000815659989 1048562538 /nfs/dbraw/zinc/56/25/38/1048562538.db2.gz PHDUZVFUKFDEAN-RDTXWAMCSA-N 0 3 330.497 4.068 20 10 EICDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000815636121 1048565105 /nfs/dbraw/zinc/56/51/05/1048565105.db2.gz PGINBZSHUYWCFO-HUUCEWRRSA-N 0 3 340.423 4.151 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccc(O)cc1C(F)(F)F ZINC001144391528 1048626952 /nfs/dbraw/zinc/62/69/52/1048626952.db2.gz ONAYZMGIEYHEEB-UHFFFAOYSA-N 0 3 325.330 4.139 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccc(O)cc1C(F)(F)F ZINC001144391528 1048626956 /nfs/dbraw/zinc/62/69/56/1048626956.db2.gz ONAYZMGIEYHEEB-UHFFFAOYSA-N 0 3 325.330 4.139 20 10 EICDHN CC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227771 1048695533 /nfs/dbraw/zinc/69/55/33/1048695533.db2.gz JBFVQMRVQIDGMG-BMIGLBTASA-N 0 3 341.377 4.114 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209963 1048706019 /nfs/dbraw/zinc/70/60/19/1048706019.db2.gz XSKJYFWJXYFSJN-JYJNAYRXSA-N 0 3 342.405 4.079 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)OCCc3sccc32)c2c1c(F)ccc2[O-] ZINC000810252786 1048730059 /nfs/dbraw/zinc/73/00/59/1048730059.db2.gz JGBQVMCONUEACJ-CILWKZBWSA-N 0 3 347.455 4.219 20 10 EICDHN Cc1cc(Br)cc(CN2CCC[C@]3(CC3(F)F)C2)c1O ZINC000846105633 1048822651 /nfs/dbraw/zinc/82/26/51/1048822651.db2.gz XHAKVFJUEXCVOP-AWEZNQCLSA-N 0 3 346.215 4.084 20 10 EICDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1[O-] ZINC000846105633 1048822652 /nfs/dbraw/zinc/82/26/52/1048822652.db2.gz XHAKVFJUEXCVOP-AWEZNQCLSA-N 0 3 346.215 4.084 20 10 EICDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1[O-] ZINC000846105633 1048822653 /nfs/dbraw/zinc/82/26/53/1048822653.db2.gz XHAKVFJUEXCVOP-AWEZNQCLSA-N 0 3 346.215 4.084 20 10 EICDHN COc1cccc([C@@H](C)N[C@@H]2CCCOc3c(F)cccc32)c1O ZINC000846162903 1048827061 /nfs/dbraw/zinc/82/70/61/1048827061.db2.gz NOTPEVHREUQTHL-MLGOLLRUSA-N 0 3 331.387 4.104 20 10 EICDHN COc1cccc([C@H](C)N[C@@H]2CCCOc3ccc(F)cc32)c1O ZINC000846141624 1048830828 /nfs/dbraw/zinc/83/08/28/1048830828.db2.gz LAMPGWRNGVRJGD-BLLLJJGKSA-N 0 3 331.387 4.104 20 10 EICDHN COc1cccc([C@H](C)NCc2ccccc2OCC2CC2)c1O ZINC000846144675 1048832035 /nfs/dbraw/zinc/83/20/35/1048832035.db2.gz LQJNCPIJTKTWQE-AWEZNQCLSA-N 0 3 327.424 4.040 20 10 EICDHN Cc1ccc([C@@H](C)N[C@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000846207202 1048833957 /nfs/dbraw/zinc/83/39/57/1048833957.db2.gz LJNMPWRRAXDXCL-VQIMIIECSA-N 0 3 335.451 4.069 20 10 EICDHN Oc1ccc(-c2ccccc2)cc1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816665933 1048851718 /nfs/dbraw/zinc/85/17/18/1048851718.db2.gz AJSCIFGLXYCICL-FGZHOGPDSA-N 0 3 335.447 4.203 20 10 EICDHN CC[C@@H]([NH2+]C[C@]1(C)CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966637 1049072970 /nfs/dbraw/zinc/07/29/70/1049072970.db2.gz SDTFNNUNRPGVCS-CZUORRHYSA-N 0 3 331.287 4.129 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCOc3c(OC)cccc32)cc1 ZINC000772987458 1049265230 /nfs/dbraw/zinc/26/52/30/1049265230.db2.gz WEUJALBJIMXORP-BEFAXECRSA-N 0 3 340.467 4.326 20 10 EICDHN Cc1cc(O)c(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1C(C)C ZINC000811800750 1049271460 /nfs/dbraw/zinc/27/14/60/1049271460.db2.gz BHYFBKJDMXMNPL-INIZCTEOSA-N 0 3 333.863 4.121 20 10 EICDHN C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037000695 1049653194 /nfs/dbraw/zinc/65/31/94/1049653194.db2.gz BBONWJHEQTWWEB-OLZOCXBDSA-N 0 3 334.257 4.437 20 10 EICDHN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(O)c(F)c1 ZINC000813334613 1049754442 /nfs/dbraw/zinc/75/44/42/1049754442.db2.gz RNDXXOYECOFQEE-UHFFFAOYSA-N 0 3 328.431 4.154 20 10 EICDHN C[C@H](N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000179963627 1049815732 /nfs/dbraw/zinc/81/57/32/1049815732.db2.gz VHXXNSMFWWZJSV-IFXJQAMLSA-N 0 3 328.431 4.456 20 10 EICDHN [O-]c1ccccc1C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000238109494 1049881538 /nfs/dbraw/zinc/88/15/38/1049881538.db2.gz JVKXFRHZRRMEIS-IBGZPJMESA-N 0 3 337.394 4.441 20 10 EICDHN C[C@@H](N[C@H]1CCCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000181325925 1050098752 /nfs/dbraw/zinc/09/87/52/1050098752.db2.gz VRMNMOLDAKYVJV-KUHUBIRLSA-N 0 3 328.431 4.456 20 10 EICDHN Oc1ccccc1CN(Cc1ccco1)Cc1cccc2c[nH]nc21 ZINC000154707208 1050265598 /nfs/dbraw/zinc/26/55/98/1050265598.db2.gz LKTRFMBWIAHBHZ-UHFFFAOYSA-N 0 3 333.391 4.064 20 10 EICDHN C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccccc1[O-] ZINC000775128444 1050563675 /nfs/dbraw/zinc/56/36/75/1050563675.db2.gz CKLCCRLOYTVOGE-LBPRGKRZSA-N 0 3 325.330 4.184 20 10 EICDHN C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000775130570 1050577635 /nfs/dbraw/zinc/57/76/35/1050577635.db2.gz MCEUSIHWVBNTMV-GFCCVEGCSA-N 0 3 325.330 4.141 20 10 EICDHN C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000763522642 1050613319 /nfs/dbraw/zinc/61/33/19/1050613319.db2.gz FMPVWFFEAUZJOU-YWZLYKJASA-N 0 3 337.419 4.254 20 10 EICDHN COc1ccc([C@@H](C)NC/C=C/c2ccc(N(C)C)cc2)c(OC)c1 ZINC001179789003 1050778574 /nfs/dbraw/zinc/77/85/74/1050778574.db2.gz LCKGINCRTYGJFT-FYCOFBDGSA-N 0 3 340.467 4.134 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@H](C)c3nccs3)c2c1 ZINC000182855563 1050853730 /nfs/dbraw/zinc/85/37/30/1050853730.db2.gz YCKBSAXHLJYFLJ-ZDUSSCGKSA-N 0 3 342.464 4.246 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@H](C)c3nccs3)c2c1 ZINC000182855563 1050853733 /nfs/dbraw/zinc/85/37/33/1050853733.db2.gz YCKBSAXHLJYFLJ-ZDUSSCGKSA-N 0 3 342.464 4.246 20 10 EICDHN COc1ccc(C[C@H]2CCN2C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001180115666 1050889979 /nfs/dbraw/zinc/88/99/79/1050889979.db2.gz BMQLVOIZPJCJBF-KTBYTZPXSA-N 0 3 336.479 4.091 20 10 EICDHN CCOCc1cc(CN[C@@H](C)c2ccncc2CC)ccc1OC ZINC000773426590 1051250567 /nfs/dbraw/zinc/25/05/67/1051250567.db2.gz DZDFEAMVMQRYOE-HNNXBMFYSA-N 0 3 328.456 4.040 20 10 EICDHN CC[C@@H](NCc1cc(-c2ccccc2OC)no1)c1ccccc1O ZINC000775411203 1051274883 /nfs/dbraw/zinc/27/48/83/1051274883.db2.gz CUYFRZXLAOVWRI-QGZVFWFLSA-N 0 3 338.407 4.297 20 10 EICDHN CC[C@@H]([NH2+]Cc1cc(-c2ccccc2OC)no1)c1ccccc1[O-] ZINC000775411203 1051274894 /nfs/dbraw/zinc/27/48/94/1051274894.db2.gz CUYFRZXLAOVWRI-QGZVFWFLSA-N 0 3 338.407 4.297 20 10 EICDHN CC(C)CN1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774114786 1051459131 /nfs/dbraw/zinc/45/91/31/1051459131.db2.gz JITVYKUZNKTXOR-GFCCVEGCSA-N 0 3 345.314 4.470 20 10 EICDHN C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774213505 1051497857 /nfs/dbraw/zinc/49/78/57/1051497857.db2.gz OAKARJXDXSKEBH-SDDRHHMPSA-N 0 3 331.287 4.222 20 10 EICDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2C)c([O-])c1 ZINC001182345829 1051513122 /nfs/dbraw/zinc/51/31/22/1051513122.db2.gz RYLLZOAXOCOUMM-LJQANCHMSA-N 0 3 329.415 4.494 20 10 EICDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2C)c([O-])c1 ZINC001182345829 1051513133 /nfs/dbraw/zinc/51/31/33/1051513133.db2.gz RYLLZOAXOCOUMM-LJQANCHMSA-N 0 3 329.415 4.494 20 10 EICDHN C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1C ZINC001182452509 1051579685 /nfs/dbraw/zinc/57/96/85/1051579685.db2.gz OFYYEMKTNZJHGQ-ZACQAIPSSA-N 0 3 325.452 4.448 20 10 EICDHN C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1C ZINC001182452509 1051579699 /nfs/dbraw/zinc/57/96/99/1051579699.db2.gz OFYYEMKTNZJHGQ-ZACQAIPSSA-N 0 3 325.452 4.448 20 10 EICDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000774482088 1051612131 /nfs/dbraw/zinc/61/21/31/1051612131.db2.gz FPNKOHHLIDJEAC-KGLIPLIRSA-N 0 3 345.874 4.084 20 10 EICDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccccc2OC(F)F)c1 ZINC000273440149 1051622822 /nfs/dbraw/zinc/62/28/22/1051622822.db2.gz YELLKTLTTHUBAV-RYUDHWBXSA-N 0 3 337.366 4.414 20 10 EICDHN CC[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccccc1[O-] ZINC000775522323 1051686518 /nfs/dbraw/zinc/68/65/18/1051686518.db2.gz MPQPOUJCVCCDLF-AWEZNQCLSA-N 0 3 341.238 4.214 20 10 EICDHN CCOC(=O)CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC001192316288 1051689910 /nfs/dbraw/zinc/68/99/10/1051689910.db2.gz YCQLUPDFJCVEBH-KRWDZBQOSA-N 0 3 341.451 4.299 20 10 EICDHN CCOC(=O)CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC001192316288 1051689912 /nfs/dbraw/zinc/68/99/12/1051689912.db2.gz YCQLUPDFJCVEBH-KRWDZBQOSA-N 0 3 341.451 4.299 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](C)COc1ccccc1OC)c1ccccc1[O-] ZINC000775527026 1051714740 /nfs/dbraw/zinc/71/47/40/1051714740.db2.gz VNWUKJWJRUTURC-NVXWUHKLSA-N 0 3 329.440 4.157 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](C)COc1ccccc1OC)c1ccccc1[O-] ZINC000775527025 1051715248 /nfs/dbraw/zinc/71/52/48/1051715248.db2.gz VNWUKJWJRUTURC-DOTOQJQBSA-N 0 3 329.440 4.157 20 10 EICDHN CC[C@H]([NH2+][C@H](C)[C@H](OC)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000775526335 1051718362 /nfs/dbraw/zinc/71/83/62/1051718362.db2.gz QSBMUJODRTXUDX-WNYOCNMUSA-N 0 3 329.440 4.218 20 10 EICDHN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000775527982 1051719709 /nfs/dbraw/zinc/71/97/09/1051719709.db2.gz WZAOVJXNEHWZPG-DJCROIMJSA-N 0 3 337.822 4.348 20 10 EICDHN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000184836089 1052246609 /nfs/dbraw/zinc/24/66/09/1052246609.db2.gz QGPIJMWJNWWJGA-BBRMVZONSA-N 0 3 334.460 4.081 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)c([O-])c1 ZINC000184857077 1052265142 /nfs/dbraw/zinc/26/51/42/1052265142.db2.gz COAWETYSVYZKDC-SJLPKXTDSA-N 0 3 328.456 4.171 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)c([O-])c1 ZINC000184857091 1052266231 /nfs/dbraw/zinc/26/62/31/1052266231.db2.gz COAWETYSVYZKDC-FUHWJXTLSA-N 0 3 328.456 4.171 20 10 EICDHN Cc1ccccc1CN1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185053314 1052380178 /nfs/dbraw/zinc/38/01/78/1052380178.db2.gz WZALVANMABCBGX-INIZCTEOSA-N 0 3 342.458 4.155 20 10 EICDHN Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185695610 1052681636 /nfs/dbraw/zinc/68/16/36/1052681636.db2.gz BMZMJCPWWJTGSP-LLVKDONJSA-N 0 3 325.330 4.292 20 10 EICDHN Oc1cc2c(cc1CNC1(c3ccc(F)cc3F)CCC1)CCC2 ZINC000764135687 1053032861 /nfs/dbraw/zinc/03/28/61/1053032861.db2.gz UAOAHMAZEFCRGI-UHFFFAOYSA-N 0 3 329.390 4.328 20 10 EICDHN COc1cc(CN[C@H]2COCc3ccccc32)c(O)c(C(C)(C)C)c1 ZINC000850327625 1053113212 /nfs/dbraw/zinc/11/32/12/1053113212.db2.gz KRWHPQLZDRUIQZ-IBGZPJMESA-N 0 3 341.451 4.059 20 10 EICDHN CC(C)[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000850362895 1053137711 /nfs/dbraw/zinc/13/77/11/1053137711.db2.gz UGFFSGBEPXCHIZ-NRFANRHFSA-N 0 3 342.458 4.149 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]CCc2noc3ccccc32)c2c1c(F)ccc2[O-] ZINC000850482561 1053252503 /nfs/dbraw/zinc/25/25/03/1053252503.db2.gz KAVLKGXHAVLEHB-IAQYHMDHSA-N 0 3 326.371 4.053 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccnc2N2CCCC2)c1[O-] ZINC000850502642 1053264885 /nfs/dbraw/zinc/26/48/85/1053264885.db2.gz YOLFEVGZOLKCGT-AWEZNQCLSA-N 0 3 345.874 4.200 20 10 EICDHN CC[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(C)cc1[O-] ZINC000794802357 1053383241 /nfs/dbraw/zinc/38/32/41/1053383241.db2.gz NMONPMVQWFBBLM-GFCCVEGCSA-N 0 3 344.402 4.459 20 10 EICDHN CCOc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c([O-])c1 ZINC000776499316 1053384687 /nfs/dbraw/zinc/38/46/87/1053384687.db2.gz ULUFHLUPKPGJAR-KRWDZBQOSA-N 0 3 347.842 4.448 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794792901 1053387215 /nfs/dbraw/zinc/38/72/15/1053387215.db2.gz HIZDHKCVTXZYFI-ROUUACIJSA-N 0 3 328.456 4.171 20 10 EICDHN CC[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(C)cc1[O-] ZINC000794792028 1053387915 /nfs/dbraw/zinc/38/79/15/1053387915.db2.gz KWSCDCLPAKADGC-FQEVSTJZSA-N 0 3 335.451 4.170 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794803718 1053395900 /nfs/dbraw/zinc/39/59/00/1053395900.db2.gz SMOPEPSUZBLEQG-BEFAXECRSA-N 0 3 329.440 4.217 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC(C)C)c1)c1ccc(C)cc1[O-] ZINC000794803659 1053399444 /nfs/dbraw/zinc/39/94/44/1053399444.db2.gz RFGIVNIRWWDCPX-TZIWHRDSSA-N 0 3 343.467 4.262 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C)cc1[O-] ZINC000794815366 1053421481 /nfs/dbraw/zinc/42/14/81/1053421481.db2.gz KEGXUAYTCQENQI-KXBFYZLASA-N 0 3 336.439 4.083 20 10 EICDHN CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccc(C)cc1[O-] ZINC000794812416 1053427850 /nfs/dbraw/zinc/42/78/50/1053427850.db2.gz CNUZVZHSMLJPOJ-HKUYNNGSSA-N 0 3 333.859 4.302 20 10 EICDHN COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000794824632 1053430223 /nfs/dbraw/zinc/43/02/23/1053430223.db2.gz KTCNGOOSMJLYJW-IEBWSBKVSA-N 0 3 327.468 4.389 20 10 EICDHN Cc1cccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1O ZINC000775663296 1053432099 /nfs/dbraw/zinc/43/20/99/1053432099.db2.gz LPBJRJHXUNAONJ-VXGBXAGGSA-N 0 3 341.295 4.263 20 10 EICDHN Cc1cccc(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000794827520 1053439981 /nfs/dbraw/zinc/43/99/81/1053439981.db2.gz JSNVTJZDCVYEMP-ZDUSSCGKSA-N 0 3 349.272 4.060 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000775667582 1053460419 /nfs/dbraw/zinc/46/04/19/1053460419.db2.gz LPSKBRNIWYLYDA-INIZCTEOSA-N 0 3 326.440 4.022 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000775667582 1053460428 /nfs/dbraw/zinc/46/04/28/1053460428.db2.gz LPSKBRNIWYLYDA-INIZCTEOSA-N 0 3 326.440 4.022 20 10 EICDHN Cc1nc(C)c([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000765256873 1053483456 /nfs/dbraw/zinc/48/34/56/1053483456.db2.gz YUEMEFSVGBCCCA-KBPBESRZSA-N 0 3 345.512 4.008 20 10 EICDHN CC[C@@H](CC(F)F)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851841917 1053524429 /nfs/dbraw/zinc/52/44/29/1053524429.db2.gz ZUMARYQPOJIVDK-HOCLYGCPSA-N 0 3 327.415 4.055 20 10 EICDHN CC[C@@H](CC(F)F)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851841917 1053524438 /nfs/dbraw/zinc/52/44/38/1053524438.db2.gz ZUMARYQPOJIVDK-HOCLYGCPSA-N 0 3 327.415 4.055 20 10 EICDHN CCN(C)c1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000765385388 1053531986 /nfs/dbraw/zinc/53/19/86/1053531986.db2.gz MYPGGJXGKONTHB-AWEZNQCLSA-N 0 3 345.874 4.085 20 10 EICDHN CC[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(OC)c1OC ZINC000865759053 1053586433 /nfs/dbraw/zinc/58/64/33/1053586433.db2.gz SAIMKKLIXUDCFT-GOSISDBHSA-N 0 3 328.456 4.011 20 10 EICDHN Cn1cnc2cc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)ccc21 ZINC000775692570 1053612547 /nfs/dbraw/zinc/61/25/47/1053612547.db2.gz YKPNITHSTGNDIR-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN Cn1cnc2cc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)ccc21 ZINC000775692570 1053612552 /nfs/dbraw/zinc/61/25/52/1053612552.db2.gz YKPNITHSTGNDIR-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN CC[C@H](NCc1cnccc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000853239703 1053654992 /nfs/dbraw/zinc/65/49/92/1053654992.db2.gz CCWJUNJIZSPQML-KRWDZBQOSA-N 0 3 337.389 4.407 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000866402650 1053714709 /nfs/dbraw/zinc/71/47/09/1053714709.db2.gz BEPYLCIQYWWMPU-LLSQANQASA-N 0 3 333.378 4.160 20 10 EICDHN C[C@H](NCc1ccccc1C(=O)OC(C)(C)C)c1ccccc1O ZINC000866483014 1053746570 /nfs/dbraw/zinc/74/65/70/1053746570.db2.gz BGUAMKDBFHAZGF-AWEZNQCLSA-N 0 3 327.424 4.198 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000121085271 1053753886 /nfs/dbraw/zinc/75/38/86/1053753886.db2.gz PVHLWGMKTBSBDG-RDJZCZTQSA-N 0 3 339.357 4.185 20 10 EICDHN C[C@H](NCc1cc(F)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000776799963 1053892686 /nfs/dbraw/zinc/89/26/86/1053892686.db2.gz PBYYLFTUBJUBLN-AWEZNQCLSA-N 0 3 348.849 4.167 20 10 EICDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000122745273 1054028094 /nfs/dbraw/zinc/02/80/94/1054028094.db2.gz CTFNKJCEQRDFKW-HNNXBMFYSA-N 0 3 328.504 4.172 20 10 EICDHN CCc1nc(C)c([C@H](C)NCc2ccc3c(c2)CCCN3C)s1 ZINC000122916977 1054058588 /nfs/dbraw/zinc/05/85/88/1054058588.db2.gz VVOMIOIIHOCEHC-ZDUSSCGKSA-N 0 3 329.513 4.247 20 10 EICDHN Cc1ccc([C@H](C)NCc2ccc3c(c2)CCCN3C)cc1[N+](=O)[O-] ZINC000122928163 1054061573 /nfs/dbraw/zinc/06/15/73/1054061573.db2.gz VSHHZDHIINMJJQ-HNNXBMFYSA-N 0 3 339.439 4.136 20 10 EICDHN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000775837863 1054118943 /nfs/dbraw/zinc/11/89/43/1054118943.db2.gz UWIUTOYKMGYYHS-CQSZACIVSA-N 0 3 345.874 4.004 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1cccc(OC(F)F)c1 ZINC001199275501 1054386025 /nfs/dbraw/zinc/38/60/25/1054386025.db2.gz JRVDZELAVXTWNK-ZDUSSCGKSA-N 0 3 333.378 4.464 20 10 EICDHN C[C@@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872129852 1054403987 /nfs/dbraw/zinc/40/39/87/1054403987.db2.gz ZVHGIKICQNWDRJ-WDMOLILDSA-N 0 3 330.359 4.339 20 10 EICDHN C[C@@H](N[C@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872129852 1054403994 /nfs/dbraw/zinc/40/39/94/1054403994.db2.gz ZVHGIKICQNWDRJ-WDMOLILDSA-N 0 3 330.359 4.339 20 10 EICDHN CCN(CC)c1ccc(CNCc2ccccc2OCC(F)F)cc1 ZINC001199403636 1054406156 /nfs/dbraw/zinc/40/61/56/1054406156.db2.gz XSTLPHAVIHCCQK-UHFFFAOYSA-N 0 3 348.437 4.467 20 10 EICDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000872131573 1054408495 /nfs/dbraw/zinc/40/84/95/1054408495.db2.gz XINWHILDBLPXIT-UWVGGRQHSA-N 0 3 328.309 4.357 20 10 EICDHN CN(c1ccc(CNCc2ccnc(F)c2)cc1)C1CCCCC1 ZINC000858115278 1054418955 /nfs/dbraw/zinc/41/89/55/1054418955.db2.gz CDVZTTCEMCCCGT-UHFFFAOYSA-N 0 3 327.447 4.279 20 10 EICDHN CO[C@@H](CN[C@H](C)c1ccc(N2CCCCCC2)cc1)C(F)(F)F ZINC000777006427 1054427212 /nfs/dbraw/zinc/42/72/12/1054427212.db2.gz JHXUIFZRYVEBBA-PBHICJAKSA-N 0 3 344.421 4.295 20 10 EICDHN CC(C)C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000775993891 1054433092 /nfs/dbraw/zinc/43/30/92/1054433092.db2.gz HICPVVKCQYSABY-GOSISDBHSA-N 0 3 328.431 4.462 20 10 EICDHN CC(C)C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000775993891 1054433105 /nfs/dbraw/zinc/43/31/05/1054433105.db2.gz HICPVVKCQYSABY-GOSISDBHSA-N 0 3 328.431 4.462 20 10 EICDHN COC(=O)/C(C)=C/CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776012068 1054445279 /nfs/dbraw/zinc/44/52/79/1054445279.db2.gz XUPRCAOSUFBHGT-HJUDDPQBSA-N 0 3 339.435 4.075 20 10 EICDHN CCCOc1ccc(CNCc2ccc(N(C)C(C)=O)cc2)cc1C ZINC000873144085 1054493301 /nfs/dbraw/zinc/49/33/01/1054493301.db2.gz SHLOYIYLUAHHQP-UHFFFAOYSA-N 0 3 340.467 4.056 20 10 EICDHN CCOc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)c([O-])c1 ZINC000873155665 1054495043 /nfs/dbraw/zinc/49/50/43/1054495043.db2.gz ONFVNYPEEQXRHD-UHFFFAOYSA-N 0 3 331.359 4.161 20 10 EICDHN Cc1cc(O)c(CNCc2cc(C(F)(F)F)cc(Cl)n2)cc1C ZINC000873169491 1054497862 /nfs/dbraw/zinc/49/78/62/1054497862.db2.gz KPLBJXULBNOGPU-UHFFFAOYSA-N 0 3 344.764 4.366 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]Cc2coc3ccccc23)c1[O-] ZINC000776174894 1054801650 /nfs/dbraw/zinc/80/16/50/1054801650.db2.gz JIGINFLOFVYFOA-UHFFFAOYSA-N 0 3 346.224 4.499 20 10 EICDHN COc1ccc2[nH]cc(CC[NH2+]Cc3cc(Cl)cc(C)c3[O-])c2c1 ZINC000776175150 1054804419 /nfs/dbraw/zinc/80/44/19/1054804419.db2.gz ILLRIYRLAQVCRF-UHFFFAOYSA-N 0 3 344.842 4.176 20 10 EICDHN Cc1cccc(F)c1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776220419 1054936321 /nfs/dbraw/zinc/93/63/21/1054936321.db2.gz NDQCAVCFLRQPAT-UHFFFAOYSA-N 0 3 338.220 4.200 20 10 EICDHN Cc1cccc(F)c1CNCc1cc(Br)cc(C)c1O ZINC000776220419 1054936328 /nfs/dbraw/zinc/93/63/28/1054936328.db2.gz NDQCAVCFLRQPAT-UHFFFAOYSA-N 0 3 338.220 4.200 20 10 EICDHN COC[C@H](NCc1ccc(C)cc1O)c1cccc(C(F)(F)F)c1 ZINC000877037640 1055005319 /nfs/dbraw/zinc/00/53/19/1055005319.db2.gz UEIDPKKOFOKVPH-INIZCTEOSA-N 0 3 339.357 4.197 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2cc(Cl)cc(Cl)c2N)c1 ZINC000877532737 1055073009 /nfs/dbraw/zinc/07/30/09/1055073009.db2.gz GWCZOWHXYLWJDJ-VIFPVBQESA-N 0 3 341.238 4.141 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)c1ccccc1[O-] ZINC000877756597 1055115010 /nfs/dbraw/zinc/11/50/10/1055115010.db2.gz WUTVCBMJDWKCRL-SNVBAGLBSA-N 0 3 327.758 4.498 20 10 EICDHN Cc1ccc(CNCc2cc(C(F)(F)F)cc(Cl)n2)c(O)c1 ZINC000877808158 1055124692 /nfs/dbraw/zinc/12/46/92/1055124692.db2.gz WSGWRYIJAIGACH-UHFFFAOYSA-N 0 3 330.737 4.058 20 10 EICDHN CC[C@@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1cnn(C)c1 ZINC000119345271 1055163749 /nfs/dbraw/zinc/16/37/49/1055163749.db2.gz JMKYFCWATUGWEK-OAQYLSRUSA-N 0 3 340.515 4.430 20 10 EICDHN COc1cc(CNCc2ccc(Cl)nc2)c(O)c(C(C)(C)C)c1 ZINC000850036868 1055328382 /nfs/dbraw/zinc/32/83/82/1055328382.db2.gz SUJJOWQSUHBGFK-UHFFFAOYSA-N 0 3 334.847 4.037 20 10 EICDHN [O-]c1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000785445565 1055609787 /nfs/dbraw/zinc/60/97/87/1055609787.db2.gz KHBYUSMCZUTSJH-UHFFFAOYSA-N 0 3 347.340 4.091 20 10 EICDHN CC(C)C[C@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000744448570 1059522805 /nfs/dbraw/zinc/52/28/05/1059522805.db2.gz UTAFXWFRYNISBN-KRWDZBQOSA-N 0 3 327.468 4.194 20 10 EICDHN CCOc1ccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)c([O-])c1 ZINC000766457329 1060363008 /nfs/dbraw/zinc/36/30/08/1060363008.db2.gz JIIOEDFCSXJMIW-UHFFFAOYSA-N 0 3 334.419 4.143 20 10 EICDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CC(c3ccccc3OC)C2)c1 ZINC000359957828 201119624 /nfs/dbraw/zinc/11/96/24/201119624.db2.gz PQRUFCBPVGVUCP-NFOMZHRRSA-N 0 3 327.424 4.006 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c([O-])c1C ZINC000359974879 201120973 /nfs/dbraw/zinc/12/09/73/201120973.db2.gz PTRIFBYOACQRNS-INIZCTEOSA-N 0 3 335.451 4.260 20 10 EICDHN CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490463 522756058 /nfs/dbraw/zinc/75/60/58/522756058.db2.gz OPWBUPHLMFLMAJ-ZENOOKHLSA-N 0 3 343.298 4.367 20 10 EICDHN CC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490463 522756064 /nfs/dbraw/zinc/75/60/64/522756064.db2.gz OPWBUPHLMFLMAJ-ZENOOKHLSA-N 0 3 343.298 4.367 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490463 522756074 /nfs/dbraw/zinc/75/60/74/522756074.db2.gz OPWBUPHLMFLMAJ-ZENOOKHLSA-N 0 3 343.298 4.367 20 10 EICDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000179917107 1032576798 /nfs/dbraw/zinc/57/67/98/1032576798.db2.gz HSTLIODMDSEFLR-CYBMUJFWSA-N 0 3 326.371 4.052 20 10 EICDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000179917107 1032576822 /nfs/dbraw/zinc/57/68/22/1032576822.db2.gz HSTLIODMDSEFLR-CYBMUJFWSA-N 0 3 326.371 4.052 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000274725267 1019057907 /nfs/dbraw/zinc/05/79/07/1019057907.db2.gz ANKXWTFMMXSHPU-QRFRQXIXSA-N 0 3 329.415 4.492 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000274725263 1019058441 /nfs/dbraw/zinc/05/84/41/1019058441.db2.gz ANKXWTFMMXSHPU-KPFFTGBYSA-N 0 3 329.415 4.492 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1[O-] ZINC000155335972 1020498582 /nfs/dbraw/zinc/49/85/82/1020498582.db2.gz CNIGKCPZUYYSRA-RDTXWAMCSA-N 0 3 340.423 4.151 20 10 EICDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000275392769 1020613494 /nfs/dbraw/zinc/61/34/94/1020613494.db2.gz YTYZYPVFDXVWIM-LBPRGKRZSA-N 0 3 335.245 4.017 20 10 EICDHN CN1CCCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000588383340 1022269941 /nfs/dbraw/zinc/26/99/41/1022269941.db2.gz GKBKKXJVFJKWJC-UHFFFAOYSA-N 0 3 337.427 4.271 20 10 EICDHN COc1ccc(O)c(CN(C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000180617780 1022521634 /nfs/dbraw/zinc/52/16/34/1022521634.db2.gz PXORQHGAPIDWID-ZDUSSCGKSA-N 0 3 334.485 4.482 20 10 EICDHN C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208055 1023002411 /nfs/dbraw/zinc/00/24/11/1023002411.db2.gz NSJWNWNQGQRNPL-AEFFLSMTSA-N 0 3 342.458 4.094 20 10 EICDHN C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000311222991 1023005873 /nfs/dbraw/zinc/00/58/73/1023005873.db2.gz VSSLZPKTRBHDSV-AEFFLSMTSA-N 0 3 342.458 4.094 20 10 EICDHN Cc1cccc2nc(CN[C@@H](C)c3cc4c(cc3O)CCCC4)cn21 ZINC000185412598 1023042277 /nfs/dbraw/zinc/04/22/77/1023042277.db2.gz YVMIMVCHNCJLHP-HNNXBMFYSA-N 0 3 335.451 4.078 20 10 EICDHN CCN1CCN(c2ccccc2N[C@@H](C)c2cc(C)ccc2O)CC1 ZINC000186361382 1023121714 /nfs/dbraw/zinc/12/17/14/1023121714.db2.gz BVYHJZGSWFGETN-KRWDZBQOSA-N 0 3 339.483 4.016 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2nc(-c3ccccc3)no2)c([O-])c1 ZINC000376891524 1023330039 /nfs/dbraw/zinc/33/00/39/1023330039.db2.gz BVGHHFFEPJPVGT-GJZGRUSLSA-N 0 3 337.423 4.032 20 10 EICDHN CC[C@@H]([NH2+]Cc1cccc(-c2nccn2C)c1)c1ccc(C)cc1[O-] ZINC000377092085 1023370871 /nfs/dbraw/zinc/37/08/71/1023370871.db2.gz GGLNVWJVXSBEKJ-LJQANCHMSA-N 0 3 335.451 4.342 20 10 EICDHN CC(C)CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccoc1 ZINC000796703022 1024865728 /nfs/dbraw/zinc/86/57/28/1024865728.db2.gz PFOZTAPWTJSSFL-NRFANRHFSA-N 0 3 342.483 4.383 20 10 EICDHN CC[C@H]([NH2+][C@@H](Cc1nc(C)no1)c1ccccc1)c1ccccc1[O-] ZINC000277197669 1025323087 /nfs/dbraw/zinc/32/30/87/1025323087.db2.gz VKFRMXJPGCWTOP-ROUUACIJSA-N 0 3 337.423 4.108 20 10 EICDHN C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ccccc1[O-] ZINC000091974461 1025545007 /nfs/dbraw/zinc/54/50/07/1025545007.db2.gz LJCIOSDDWPXVKW-UHFFFAOYSA-N 0 3 327.815 4.068 20 10 EICDHN C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ccccc1[O-] ZINC000091974461 1025545029 /nfs/dbraw/zinc/54/50/29/1025545029.db2.gz LJCIOSDDWPXVKW-UHFFFAOYSA-N 0 3 327.815 4.068 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000157045254 1025788137 /nfs/dbraw/zinc/78/81/37/1025788137.db2.gz QEVFMYKJUMGJJV-ZHALLVOQSA-N 0 3 333.378 4.241 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C)cc1[O-] ZINC000375657186 1025867803 /nfs/dbraw/zinc/86/78/03/1025867803.db2.gz LEJQAHXXRCQHBG-OALUTQOASA-N 0 3 338.451 4.239 20 10 EICDHN CC[C@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(C)cc1O ZINC000375663498 1026001578 /nfs/dbraw/zinc/00/15/78/1026001578.db2.gz JTGXJUNPYAHHRT-PZJWPPBQSA-N 0 3 335.451 4.264 20 10 EICDHN CC[C@@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1ccc(C)cc1O ZINC000375663496 1026003085 /nfs/dbraw/zinc/00/30/85/1026003085.db2.gz JTGXJUNPYAHHRT-CTNGQTDRSA-N 0 3 335.451 4.264 20 10 EICDHN Cc1nn(-c2ccccc2)cc1CNCc1c(C)c2ccccc2n1C ZINC000475200112 1029431965 /nfs/dbraw/zinc/43/19/65/1029431965.db2.gz YQRPJSUYWIRGQD-UHFFFAOYSA-N 0 3 344.462 4.271 20 10 EICDHN C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccccc1[O-] ZINC000183529990 1030011842 /nfs/dbraw/zinc/01/18/42/1030011842.db2.gz IGKXQFPAQINUBS-DOXZYTNZSA-N 0 3 330.497 4.187 20 10 EICDHN COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1C ZINC000897417384 1030584777 /nfs/dbraw/zinc/58/47/77/1030584777.db2.gz MYLZMUPJQMTEJQ-GFCCVEGCSA-N 0 3 335.831 4.222 20 10 EICDHN CC(C)c1ncc2c(n1)CCN(Cc1c(O)ccc3ccccc31)C2 ZINC000527614275 1030778977 /nfs/dbraw/zinc/77/89/77/1030778977.db2.gz WSLJFLJAGHOKKM-UHFFFAOYSA-N 0 3 333.435 4.017 20 10 EICDHN COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c(OC)c1 ZINC000527974953 1030987232 /nfs/dbraw/zinc/98/72/32/1030987232.db2.gz WXNYVWVUJFPNHH-MQIPJXDCSA-N 0 3 345.414 4.448 20 10 EICDHN CCN(CC)c1ccc(CN(C)Cc2cccc(NC(C)=O)c2)cc1 ZINC000726067009 1034269227 /nfs/dbraw/zinc/26/92/27/1034269227.db2.gz IMYBAYCRUUGYMJ-UHFFFAOYSA-N 0 3 339.483 4.123 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc([S@](C)=O)cc1)c1ccc(C)cc1[O-] ZINC000280058472 1035138660 /nfs/dbraw/zinc/13/86/60/1035138660.db2.gz KEQXWWSWLCJCJJ-ZPBXOSQXSA-N 0 3 331.481 4.240 20 10 EICDHN CCOc1cc(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])ccc1OC ZINC000280132221 1035174061 /nfs/dbraw/zinc/17/40/61/1035174061.db2.gz PBTMZJOUHRMJNR-QGZVFWFLSA-N 0 3 329.440 4.349 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C)cc1[O-] ZINC000280227343 1035207020 /nfs/dbraw/zinc/20/70/20/1035207020.db2.gz VEDMQYQBKOFDCC-KDOFPFPSSA-N 0 3 338.451 4.021 20 10 EICDHN COc1ccc(C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C2CC2)cc1 ZINC000761184107 1035901872 /nfs/dbraw/zinc/90/18/72/1035901872.db2.gz QAXVGVZGQHTHQW-UHFFFAOYSA-N 0 3 347.842 4.227 20 10 EICDHN COc1ccc(C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C2CC2)cc1 ZINC000761184107 1035901901 /nfs/dbraw/zinc/90/19/01/1035901901.db2.gz QAXVGVZGQHTHQW-UHFFFAOYSA-N 0 3 347.842 4.227 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CCc2c[nH]c3cccc(C)c23)c1[O-] ZINC000761208324 1036056599 /nfs/dbraw/zinc/05/65/99/1036056599.db2.gz YUCGLBSTLJGGSA-UHFFFAOYSA-N 0 3 344.842 4.176 20 10 EICDHN COc1cc(Cl)cc(C[NH+]2CCC(c3ccc(C)nc3)CC2)c1[O-] ZINC000761215748 1036152761 /nfs/dbraw/zinc/15/27/61/1036152761.db2.gz LUMIDIRBTYXWNQ-UHFFFAOYSA-N 0 3 346.858 4.137 20 10 EICDHN COC[C@@H](N[C@H](C)c1ccc(C)c(C)c1O)c1ccc(F)c(F)c1 ZINC000273349415 1037429313 /nfs/dbraw/zinc/42/93/13/1037429313.db2.gz BIHZLTULDDPPIW-FZKQIMNGSA-N 0 3 335.394 4.326 20 10 EICDHN COc1ccccc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000163600228 1037454217 /nfs/dbraw/zinc/45/42/17/1037454217.db2.gz XDPAHBJCEJFMPF-MRXNPFEDSA-N 0 3 342.508 4.099 20 10 EICDHN COc1cccc(C2(NCc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000150894920 1038210798 /nfs/dbraw/zinc/21/07/98/1038210798.db2.gz KNDFBDXYACYBOT-UHFFFAOYSA-N 0 3 336.479 4.464 20 10 EICDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC000226584730 1038276685 /nfs/dbraw/zinc/27/66/85/1038276685.db2.gz XKIFWGISXXWCMB-UHFFFAOYSA-N 0 3 338.220 4.319 20 10 EICDHN CN(C)Cc1ccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)cc1 ZINC000904621439 1041545624 /nfs/dbraw/zinc/54/56/24/1041545624.db2.gz WROZSAQJISLENN-UHFFFAOYSA-N 0 3 344.418 4.256 20 10 EICDHN CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1[O-] ZINC000761498761 1042871248 /nfs/dbraw/zinc/87/12/48/1042871248.db2.gz HACMTTIIGVUIJX-LIRRHRJNSA-N 0 3 346.421 4.238 20 10 EICDHN COc1cc(CNCc2cnc(Cl)s2)c(O)c(C(C)(C)C)c1 ZINC000895151177 1043480256 /nfs/dbraw/zinc/48/02/56/1043480256.db2.gz JHYSJXQQTIYRCI-UHFFFAOYSA-N 0 3 340.876 4.098 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc2c1OCCO2)C1CCCC1 ZINC000731845585 1043834273 /nfs/dbraw/zinc/83/42/73/1043834273.db2.gz FARHMRVTEUUXKM-UHFFFAOYSA-N 0 3 339.435 4.108 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2c1OCCO2)C1CCCC1 ZINC000731845585 1043834278 /nfs/dbraw/zinc/83/42/78/1043834278.db2.gz FARHMRVTEUUXKM-UHFFFAOYSA-N 0 3 339.435 4.108 20 10 EICDHN COc1c(C)cnc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1C ZINC000731889351 1043838561 /nfs/dbraw/zinc/83/85/61/1043838561.db2.gz GMWUFWGKRCZKBR-UHFFFAOYSA-N 0 3 340.467 4.357 20 10 EICDHN COc1c(C)cnc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1C ZINC000731889351 1043838564 /nfs/dbraw/zinc/83/85/64/1043838564.db2.gz GMWUFWGKRCZKBR-UHFFFAOYSA-N 0 3 340.467 4.357 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC000732204757 1043887064 /nfs/dbraw/zinc/88/70/64/1043887064.db2.gz CLWNUWJXYCPQQD-FQEVSTJZSA-N 0 3 347.405 4.149 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC000732204757 1043887067 /nfs/dbraw/zinc/88/70/67/1043887067.db2.gz CLWNUWJXYCPQQD-FQEVSTJZSA-N 0 3 347.405 4.149 20 10 EICDHN Oc1ccccc1CN(Cc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000732205025 1043887526 /nfs/dbraw/zinc/88/75/26/1043887526.db2.gz XJZOVMBDKJQNBY-UHFFFAOYSA-N 0 3 349.434 4.387 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1F)C1CCCC1 ZINC000732204745 1043887902 /nfs/dbraw/zinc/88/79/02/1043887902.db2.gz RCNFZXQZNPWNQS-HXUWFJFHSA-N 0 3 329.415 4.010 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccccc1F)C1CCCC1 ZINC000732204745 1043887908 /nfs/dbraw/zinc/88/79/08/1043887908.db2.gz RCNFZXQZNPWNQS-HXUWFJFHSA-N 0 3 329.415 4.010 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000733328241 1044192942 /nfs/dbraw/zinc/19/29/42/1044192942.db2.gz SEMQOSNXINJJCA-QHCPKHFHSA-N 0 3 345.442 4.463 20 10 EICDHN CN(C)c1ccc(CNCc2cccc(COC(C)(C)C)c2)cc1F ZINC000733327836 1044194776 /nfs/dbraw/zinc/19/47/76/1044194776.db2.gz XTZKOJJKJHXIEQ-UHFFFAOYSA-N 0 3 344.474 4.497 20 10 EICDHN CCCCC[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613469 1044268136 /nfs/dbraw/zinc/26/81/36/1044268136.db2.gz XPIPFJADLKIJEJ-QGZVFWFLSA-N 0 3 346.515 4.222 20 10 EICDHN CCCCC[C@@H](C)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613469 1044268151 /nfs/dbraw/zinc/26/81/51/1044268151.db2.gz XPIPFJADLKIJEJ-QGZVFWFLSA-N 0 3 346.515 4.222 20 10 EICDHN COc1ccc(O)c(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000734003713 1044454410 /nfs/dbraw/zinc/45/44/10/1044454410.db2.gz XQIGNYMRSCMXQZ-UHFFFAOYSA-N 0 3 335.403 4.063 20 10 EICDHN CCc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000735309221 1044797955 /nfs/dbraw/zinc/79/79/55/1044797955.db2.gz JLPHZQZOWHLAOQ-HXUWFJFHSA-N 0 3 325.452 4.136 20 10 EICDHN CCc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000735309221 1044797965 /nfs/dbraw/zinc/79/79/65/1044797965.db2.gz JLPHZQZOWHLAOQ-HXUWFJFHSA-N 0 3 325.452 4.136 20 10 EICDHN COc1cc(CN[C@@H](c2ccccn2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000922582134 1044826081 /nfs/dbraw/zinc/82/60/81/1044826081.db2.gz LVIPQXGIAPCWKL-LJQANCHMSA-N 0 3 340.467 4.334 20 10 EICDHN COc1ccc2ccc([O-])c(C[NH+]3CCc4ccccc4CC3)c2c1 ZINC000738227528 1045043148 /nfs/dbraw/zinc/04/31/48/1045043148.db2.gz WSKIFMHDZNXLNA-UHFFFAOYSA-N 0 3 333.431 4.155 20 10 EICDHN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCCCC2)cc1 ZINC000282412594 1045090151 /nfs/dbraw/zinc/09/01/51/1045090151.db2.gz LFEQJKYGJSHJSM-OXQOHEQNSA-N 0 3 338.499 4.139 20 10 EICDHN CN(C)c1ccc(CN2CCCCC[C@H]2c2ccncc2)cc1F ZINC000768138865 1045726798 /nfs/dbraw/zinc/72/67/98/1045726798.db2.gz VODYXNQBLCLLCC-IBGZPJMESA-N 0 3 327.447 4.404 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000768163419 1045729586 /nfs/dbraw/zinc/72/95/86/1045729586.db2.gz YVCCUROCCAYJEO-MNKBLEIRSA-N 0 3 341.426 4.226 20 10 EICDHN [O-]c1ccccc1C[N@H+](C/C=C\c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000768163419 1045729572 /nfs/dbraw/zinc/72/95/72/1045729572.db2.gz YVCCUROCCAYJEO-MNKBLEIRSA-N 0 3 341.426 4.226 20 10 EICDHN Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1F ZINC000768162094 1045730409 /nfs/dbraw/zinc/73/04/09/1045730409.db2.gz LCBKYZXKGCIOJV-SFHVURJKSA-N 0 3 329.415 4.021 20 10 EICDHN Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1F ZINC000768162094 1045730425 /nfs/dbraw/zinc/73/04/25/1045730425.db2.gz LCBKYZXKGCIOJV-SFHVURJKSA-N 0 3 329.415 4.021 20 10 EICDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1F ZINC000768161606 1045731022 /nfs/dbraw/zinc/73/10/22/1045731022.db2.gz IBFRECQBVDDPAF-GOSISDBHSA-N 0 3 329.415 4.021 20 10 EICDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1F ZINC000768161606 1045731009 /nfs/dbraw/zinc/73/10/09/1045731009.db2.gz IBFRECQBVDDPAF-GOSISDBHSA-N 0 3 329.415 4.021 20 10 EICDHN CN(C)c1ccc(CN(Cc2cnc(-c3ccccc3)[nH]2)C2CC2)cc1 ZINC000768258127 1045767559 /nfs/dbraw/zinc/76/75/59/1045767559.db2.gz PLUPNNLBNOIGIR-UHFFFAOYSA-N 0 3 346.478 4.307 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCOc3ccc(OC)cc32)cc1 ZINC000768287595 1045779221 /nfs/dbraw/zinc/77/92/21/1045779221.db2.gz SOEOHXBTHYOHOJ-QRWLVFNGSA-N 0 3 340.467 4.326 20 10 EICDHN CCc1nn(C)c(CC)c1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000768358672 1045797873 /nfs/dbraw/zinc/79/78/73/1045797873.db2.gz YHCFDAKCLNSJSY-UHFFFAOYSA-N 0 3 342.531 4.022 20 10 EICDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CCC1CCCCC1)[C@H](O)CO2 ZINC000768463732 1045811188 /nfs/dbraw/zinc/81/11/88/1045811188.db2.gz WAZMELVIQHVVOK-YLJYHZDGSA-N 0 3 345.483 4.143 20 10 EICDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CCC1CCCCC1)[C@H](O)CO2 ZINC000768463732 1045811193 /nfs/dbraw/zinc/81/11/93/1045811193.db2.gz WAZMELVIQHVVOK-YLJYHZDGSA-N 0 3 345.483 4.143 20 10 EICDHN C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000768526104 1045815499 /nfs/dbraw/zinc/81/54/99/1045815499.db2.gz KHEMEJKOXWKKRF-CYBMUJFWSA-N 0 3 339.357 4.402 20 10 EICDHN CCOc1ccc(C[NH+]2CCC(COc3ccccc3)CC2)c([O-])c1 ZINC000768937840 1045862769 /nfs/dbraw/zinc/86/27/69/1045862769.db2.gz CQNPJSRMWUYIOM-UHFFFAOYSA-N 0 3 341.451 4.082 20 10 EICDHN CCN(CC)c1ccc(CN2CCC(OC(C)(C)C)CC2)cc1F ZINC000769059794 1045879005 /nfs/dbraw/zinc/87/90/05/1045879005.db2.gz KQCDAWXOINZNIY-UHFFFAOYSA-N 0 3 336.495 4.451 20 10 EICDHN CCC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)Cc1ccccc1[O-] ZINC000769201515 1045894239 /nfs/dbraw/zinc/89/42/39/1045894239.db2.gz VWWKROKUWJHLFO-UHFFFAOYSA-N 0 3 349.858 4.475 20 10 EICDHN CCC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)Cc1ccccc1[O-] ZINC000769201515 1045894242 /nfs/dbraw/zinc/89/42/42/1045894242.db2.gz VWWKROKUWJHLFO-UHFFFAOYSA-N 0 3 349.858 4.475 20 10 EICDHN COc1cccc([O-])c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000769384051 1045941826 /nfs/dbraw/zinc/94/18/26/1045941826.db2.gz KQPXMNGJLSMGPD-UHFFFAOYSA-N 0 3 327.424 4.051 20 10 EICDHN COc1cccc([O-])c1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000769384051 1045941840 /nfs/dbraw/zinc/94/18/40/1045941840.db2.gz KQPXMNGJLSMGPD-UHFFFAOYSA-N 0 3 327.424 4.051 20 10 EICDHN CCOc1ccc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)c([O-])c1 ZINC000769383343 1045942571 /nfs/dbraw/zinc/94/25/71/1045942571.db2.gz ICFSIBCXVSBKSG-UHFFFAOYSA-N 0 3 347.499 4.351 20 10 EICDHN CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483150 1045966355 /nfs/dbraw/zinc/96/63/55/1045966355.db2.gz MXNHMVBTSDZGEL-AWEZNQCLSA-N 0 3 331.287 4.005 20 10 EICDHN CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483150 1045966367 /nfs/dbraw/zinc/96/63/67/1045966367.db2.gz MXNHMVBTSDZGEL-AWEZNQCLSA-N 0 3 331.287 4.005 20 10 EICDHN CCN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])[C@H](C)C1 ZINC000769482760 1045970162 /nfs/dbraw/zinc/97/01/62/1045970162.db2.gz DYWYWNIQRSLXSU-DYESRHJHSA-N 0 3 338.495 4.221 20 10 EICDHN CCN1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])[C@H](C)C1 ZINC000769482760 1045970181 /nfs/dbraw/zinc/97/01/81/1045970181.db2.gz DYWYWNIQRSLXSU-DYESRHJHSA-N 0 3 338.495 4.221 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000769446716 1045974245 /nfs/dbraw/zinc/97/42/45/1045974245.db2.gz SECMTPFINDIOSE-UHFFFAOYSA-N 0 3 337.463 4.452 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000769446716 1045974265 /nfs/dbraw/zinc/97/42/65/1045974265.db2.gz SECMTPFINDIOSE-UHFFFAOYSA-N 0 3 337.463 4.452 20 10 EICDHN CCOc1ccc(CN2CC[C@H](Oc3ccccc3Cl)C2)c(O)c1 ZINC000769532013 1046010834 /nfs/dbraw/zinc/01/08/34/1046010834.db2.gz GVLDRURVULNLMI-INIZCTEOSA-N 0 3 347.842 4.098 20 10 EICDHN CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c([O-])c1 ZINC000769532013 1046010856 /nfs/dbraw/zinc/01/08/56/1046010856.db2.gz GVLDRURVULNLMI-INIZCTEOSA-N 0 3 347.842 4.098 20 10 EICDHN CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c([O-])c1 ZINC000769532013 1046010846 /nfs/dbraw/zinc/01/08/46/1046010846.db2.gz GVLDRURVULNLMI-INIZCTEOSA-N 0 3 347.842 4.098 20 10 EICDHN c1cc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc2c1OCC2 ZINC000769869012 1046081168 /nfs/dbraw/zinc/08/11/68/1046081168.db2.gz BRLOZHCOYNRSCI-FQEVSTJZSA-N 0 3 335.447 4.114 20 10 EICDHN CCC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H](O)c1ccccc1 ZINC000793236113 1046181374 /nfs/dbraw/zinc/18/13/74/1046181374.db2.gz BPYZYLALKKCMNI-WMZOPIPTSA-N 0 3 349.858 4.046 20 10 EICDHN CCC1(O)CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000771875176 1046509526 /nfs/dbraw/zinc/50/95/26/1046509526.db2.gz POCHSXGZQFPDFW-UHFFFAOYSA-N 0 3 325.452 4.233 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)c([O-])c1 ZINC000785578964 1046724046 /nfs/dbraw/zinc/72/40/46/1046724046.db2.gz CTGMGJQOJQCKJK-XGHQBKJUSA-N 0 3 326.484 4.351 20 10 EICDHN Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000786164062 1046814403 /nfs/dbraw/zinc/81/44/03/1046814403.db2.gz RTKYKTZFEQQBFT-QFIPXVFZSA-N 0 3 347.458 4.061 20 10 EICDHN C[N@H+](Cc1ccc(Br)c(Cl)c1)Cc1ccccc1[O-] ZINC000787264587 1046976031 /nfs/dbraw/zinc/97/60/31/1046976031.db2.gz MRXIFGGZLMZUFQ-UHFFFAOYSA-N 0 3 340.648 4.440 20 10 EICDHN C[N@@H+](Cc1ccc(Br)c(Cl)c1)Cc1ccccc1[O-] ZINC000787264587 1046976051 /nfs/dbraw/zinc/97/60/51/1046976051.db2.gz MRXIFGGZLMZUFQ-UHFFFAOYSA-N 0 3 340.648 4.440 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCSC(C)C)c1[O-] ZINC000806168184 1047154609 /nfs/dbraw/zinc/15/46/09/1047154609.db2.gz WSHOXDUABGLGJP-NSHDSACASA-N 0 3 332.307 4.255 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@H](CN(C)C)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000806172212 1047159366 /nfs/dbraw/zinc/15/93/66/1047159366.db2.gz HYBBWNYSGQAUCV-OAUYIBNBSA-N 0 3 346.421 4.111 20 10 EICDHN COc1ccc(CCC[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])cc1OC ZINC000788563011 1047224332 /nfs/dbraw/zinc/22/43/32/1047224332.db2.gz IYAKESRTFHEOFF-INIZCTEOSA-N 0 3 343.467 4.310 20 10 EICDHN CCOc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc(Cl)c1[O-] ZINC000788840547 1047321937 /nfs/dbraw/zinc/32/19/37/1047321937.db2.gz NLXLZNOCDLVQRD-UHFFFAOYSA-N 0 3 348.874 4.142 20 10 EICDHN CCOc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc(Cl)c1[O-] ZINC000788840547 1047321951 /nfs/dbraw/zinc/32/19/51/1047321951.db2.gz NLXLZNOCDLVQRD-UHFFFAOYSA-N 0 3 348.874 4.142 20 10 EICDHN COc1cccc(CNCc2ccc(-c3ccco3)cc2F)c1O ZINC000790485052 1047596274 /nfs/dbraw/zinc/59/62/74/1047596274.db2.gz YFRGFCQTUSGEBX-UHFFFAOYSA-N 0 3 327.355 4.090 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccccc1[O-] ZINC000154827584 1047668694 /nfs/dbraw/zinc/66/86/94/1047668694.db2.gz PLHAUOIAHIIIDW-IRXDYDNUSA-N 0 3 330.497 4.332 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCC1CCOCC1 ZINC000824477076 1047872810 /nfs/dbraw/zinc/87/28/10/1047872810.db2.gz BGEJANBEZFBWOA-UHFFFAOYSA-N 0 3 325.452 4.356 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1[O-] ZINC000808674977 1048044882 /nfs/dbraw/zinc/04/48/82/1048044882.db2.gz SMTYXOLYOKVEAM-CQSZACIVSA-N 0 3 345.874 4.200 20 10 EICDHN COCCOc1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808678378 1048048812 /nfs/dbraw/zinc/04/88/12/1048048812.db2.gz OXBZJYLEGHCBMA-AWEZNQCLSA-N 0 3 349.858 4.230 20 10 EICDHN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c(OC)c1 ZINC000808678756 1048049077 /nfs/dbraw/zinc/04/90/77/1048049077.db2.gz XFAOGIFZHKAXDW-GFCCVEGCSA-N 0 3 335.831 4.222 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)c1[O-] ZINC000808703358 1048051231 /nfs/dbraw/zinc/05/12/31/1048051231.db2.gz XEGYADQFOCIULD-LLVKDONJSA-N 0 3 325.239 4.296 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000808707066 1048052954 /nfs/dbraw/zinc/05/29/54/1048052954.db2.gz ZPNCDGZDHBMUJR-IUUKEHGRSA-N 0 3 337.822 4.266 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1[O-] ZINC000808710688 1048057109 /nfs/dbraw/zinc/05/71/09/1048057109.db2.gz VKFMCLXBAIKKGE-DVUFPGTOSA-N 0 3 343.945 4.384 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c1[O-] ZINC000808715362 1048061033 /nfs/dbraw/zinc/06/10/33/1048061033.db2.gz KFCUEDOSBSRWIW-IFXJQAMLSA-N 0 3 333.859 4.302 20 10 EICDHN COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808717226 1048066843 /nfs/dbraw/zinc/06/68/43/1048066843.db2.gz CDHKRMUHAZNKDC-LBPRGKRZSA-N 0 3 348.830 4.383 20 10 EICDHN COc1cccc(O)c1CN(CCc1ccccc1)Cc1cccnc1 ZINC000809735391 1048483880 /nfs/dbraw/zinc/48/38/80/1048483880.db2.gz FCXQEAAVBQLCHO-UHFFFAOYSA-N 0 3 348.446 4.041 20 10 EICDHN [O-]c1ccc(F)cc1C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000809735549 1048485029 /nfs/dbraw/zinc/48/50/29/1048485029.db2.gz KIRQFULZBFNNHL-UHFFFAOYSA-N 0 3 336.410 4.171 20 10 EICDHN [O-]c1ccc(F)cc1C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000809735549 1048485034 /nfs/dbraw/zinc/48/50/34/1048485034.db2.gz KIRQFULZBFNNHL-UHFFFAOYSA-N 0 3 336.410 4.171 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@]4(CC4(F)F)C3)c2c1 ZINC000844745757 1048486048 /nfs/dbraw/zinc/48/60/48/1048486048.db2.gz GIBUWMDHEDTVEC-GOSISDBHSA-N 0 3 333.378 4.175 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@]4(CC4(F)F)C3)c2c1 ZINC000844745757 1048486058 /nfs/dbraw/zinc/48/60/58/1048486058.db2.gz GIBUWMDHEDTVEC-GOSISDBHSA-N 0 3 333.378 4.175 20 10 EICDHN CC[C@H](C)[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579269 1048518714 /nfs/dbraw/zinc/51/87/14/1048518714.db2.gz JBGDYCWVCNQISE-NBHGPNQESA-N 0 3 327.468 4.063 20 10 EICDHN COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3c(C)cc(C)cc3[O-])c2c1 ZINC000815579250 1048519306 /nfs/dbraw/zinc/51/93/06/1048519306.db2.gz IQJVBPOJWTZBFC-HNNXBMFYSA-N 0 3 338.451 4.392 20 10 EICDHN CC(C)(CO)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815582967 1048519975 /nfs/dbraw/zinc/51/99/75/1048519975.db2.gz UDWMBWINRCAUEU-HXUWFJFHSA-N 0 3 341.495 4.454 20 10 EICDHN CC[C@@H](CCO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815587790 1048525880 /nfs/dbraw/zinc/52/58/80/1048525880.db2.gz TXRKWCSKPPDCHK-FXAWDEMLSA-N 0 3 327.468 4.064 20 10 EICDHN Cc1cc(C)c([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)c(O)c1 ZINC000815596026 1048529893 /nfs/dbraw/zinc/52/98/93/1048529893.db2.gz ILJVJXPQYMMOHH-GFCCVEGCSA-N 0 3 334.803 4.421 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(F)n1 ZINC000815598377 1048530338 /nfs/dbraw/zinc/53/03/38/1048530338.db2.gz TZRDOKHVEWMECC-LJQANCHMSA-N 0 3 336.410 4.390 20 10 EICDHN CC[C@H](O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595261 1048531240 /nfs/dbraw/zinc/53/12/40/1048531240.db2.gz MEHNQWUPSHWQHX-ICSRJNTNSA-N 0 3 327.468 4.207 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000815615715 1048542591 /nfs/dbraw/zinc/54/25/91/1048542591.db2.gz VYSYRZMLTKBXRD-AZUAARDMSA-N 0 3 325.452 4.082 20 10 EICDHN COc1ccncc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815629802 1048553013 /nfs/dbraw/zinc/55/30/13/1048553013.db2.gz NOSZMNJBZMKLMY-FQEVSTJZSA-N 0 3 348.446 4.260 20 10 EICDHN COc1ccncc1CN[C@@H](CCc1ccccc1)c1ccccc1O ZINC000815629802 1048553035 /nfs/dbraw/zinc/55/30/35/1048553035.db2.gz NOSZMNJBZMKLMY-FQEVSTJZSA-N 0 3 348.446 4.260 20 10 EICDHN C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)c1ccccc1[O-] ZINC000815656157 1048559568 /nfs/dbraw/zinc/55/95/68/1048559568.db2.gz MRADXFAJMUYOGQ-CQSZACIVSA-N 0 3 343.496 4.110 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1ccc(SC)cc1)N(C)C)c1ccccc1[O-] ZINC000815660425 1048561706 /nfs/dbraw/zinc/56/17/06/1048561706.db2.gz ZARBVQJKIMXGNP-MOPGFXCFSA-N 0 3 344.524 4.458 20 10 EICDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815647722 1048573943 /nfs/dbraw/zinc/57/39/43/1048573943.db2.gz SMMUZKQZNGDKJI-STQMWFEESA-N 0 3 343.377 4.268 20 10 EICDHN CO[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815651409 1048575444 /nfs/dbraw/zinc/57/54/44/1048575444.db2.gz SDQFFYMEGTVWKI-FPOVZHCZSA-N 0 3 325.452 4.081 20 10 EICDHN CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223610 1048692343 /nfs/dbraw/zinc/69/23/43/1048692343.db2.gz OKHYZPNUUDEXOA-INIZCTEOSA-N 0 3 344.421 4.325 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000810247415 1048727051 /nfs/dbraw/zinc/72/70/51/1048727051.db2.gz WCIOWCYNRGUXRU-BOUXLOLZSA-N 0 3 345.870 4.171 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)c2c1c(F)ccc2[O-] ZINC000810252791 1048730338 /nfs/dbraw/zinc/73/03/38/1048730338.db2.gz JGBQVMCONUEACJ-WQBCIRTESA-N 0 3 347.455 4.219 20 10 EICDHN CC[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(C)cc1[O-] ZINC000810253286 1048731312 /nfs/dbraw/zinc/73/13/12/1048731312.db2.gz QEUCVPIRDOMFIS-LPHOPBHVSA-N 0 3 331.481 4.291 20 10 EICDHN COc1cccc([C@H](C)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1O ZINC000846142524 1048832194 /nfs/dbraw/zinc/83/21/94/1048832194.db2.gz VBSIUHDAQCWNBE-IXDGSTSKSA-N 0 3 345.414 4.111 20 10 EICDHN Cc1ccc([C@H](C)N[C@@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000846207200 1048832978 /nfs/dbraw/zinc/83/29/78/1048832978.db2.gz LJNMPWRRAXDXCL-LPHOPBHVSA-N 0 3 335.451 4.069 20 10 EICDHN COc1cccc(C(NCc2ccccc2O)c2cccc(OC)c2)c1 ZINC000174928209 1049018448 /nfs/dbraw/zinc/01/84/48/1049018448.db2.gz YYUIEKJXXHIUMC-UHFFFAOYSA-N 0 3 349.430 4.289 20 10 EICDHN Cc1cnn([C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)c1 ZINC000811518903 1049107463 /nfs/dbraw/zinc/10/74/63/1049107463.db2.gz RBGZTRFDXQZQMY-HXUWFJFHSA-N 0 3 333.435 4.011 20 10 EICDHN Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)c1 ZINC000811518903 1049107496 /nfs/dbraw/zinc/10/74/96/1049107496.db2.gz RBGZTRFDXQZQMY-HXUWFJFHSA-N 0 3 333.435 4.011 20 10 EICDHN C[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)c1ccccc1[O-] ZINC000282797392 1049462333 /nfs/dbraw/zinc/46/23/33/1049462333.db2.gz QPKHADOTPFOCHC-IAQYHMDHSA-N 0 3 348.240 4.329 20 10 EICDHN CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000812735368 1049555497 /nfs/dbraw/zinc/55/54/97/1049555497.db2.gz CISBSNUUCXOCIF-CRAIPNDOSA-N 0 3 328.431 4.099 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c([O-])c1 ZINC000812781001 1049576079 /nfs/dbraw/zinc/57/60/79/1049576079.db2.gz DSBGYRJPJFOABL-CABCVRRESA-N 0 3 331.378 4.344 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c([O-])c1 ZINC000812781001 1049576096 /nfs/dbraw/zinc/57/60/96/1049576096.db2.gz DSBGYRJPJFOABL-CABCVRRESA-N 0 3 331.378 4.344 20 10 EICDHN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000237568917 1049615878 /nfs/dbraw/zinc/61/58/78/1049615878.db2.gz CMWYPMFIINLKTD-HNAYVOBHSA-N 0 3 344.886 4.188 20 10 EICDHN N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000180950532 1049967942 /nfs/dbraw/zinc/96/79/42/1049967942.db2.gz CKUNWSGRKBOUCI-UHFFFAOYSA-N 0 3 332.378 4.360 20 10 EICDHN COc1ccc(C[NH+]2CCC(Sc3ccccc3)CC2)c([O-])c1 ZINC001203634499 1050272932 /nfs/dbraw/zinc/27/29/32/1050272932.db2.gz JDBJYRQPTGNNEG-UHFFFAOYSA-N 0 3 329.465 4.158 20 10 EICDHN Cl/C=C\CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC001179747321 1050769957 /nfs/dbraw/zinc/76/99/57/1050769957.db2.gz KFPAZGVPDOLHHL-DAXSKMNVSA-N 0 3 343.696 4.282 20 10 EICDHN Cc1c2ccccc2n(C)c1CN[C@@]1(CO)CC[C@H](C)c2ccccc21 ZINC001179788749 1050778787 /nfs/dbraw/zinc/77/87/87/1050778787.db2.gz DOJUKMOJNSBEFK-QMHKHESXSA-N 0 3 348.490 4.361 20 10 EICDHN CCc1nc(C)c([C@H](C)N(C)Cc2cc(C)cc(OC)c2O)s1 ZINC001179906290 1050830777 /nfs/dbraw/zinc/83/07/77/1050830777.db2.gz WRYAEEPCYAKAFX-ZDUSSCGKSA-N 0 3 334.485 4.230 20 10 EICDHN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180029645 1050857384 /nfs/dbraw/zinc/85/73/84/1050857384.db2.gz DLXYZLCNKWAMSQ-CVEARBPZSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180029645 1050857389 /nfs/dbraw/zinc/85/73/89/1050857389.db2.gz DLXYZLCNKWAMSQ-CVEARBPZSA-N 0 3 336.907 4.132 20 10 EICDHN CC(C)P(CCNC(=O)/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC001180130407 1050880511 /nfs/dbraw/zinc/88/05/11/1050880511.db2.gz MLNXIAIIPGEGQU-FMIVXFBMSA-N 0 3 334.444 4.181 20 10 EICDHN COc1cc(C)c(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c([O-])c1 ZINC001180133347 1050883889 /nfs/dbraw/zinc/88/38/89/1050883889.db2.gz UVEZCLPALLBRMM-NRFANRHFSA-N 0 3 325.452 4.263 20 10 EICDHN COc1cc(C)c(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)c([O-])c1 ZINC001180133347 1050883892 /nfs/dbraw/zinc/88/38/92/1050883892.db2.gz UVEZCLPALLBRMM-NRFANRHFSA-N 0 3 325.452 4.263 20 10 EICDHN CC(=O)c1ccc(OCc2ccccc2)c(Nc2ccncc2C)c1O ZINC001174538646 1051030727 /nfs/dbraw/zinc/03/07/27/1051030727.db2.gz OKZWKMJICKDZAN-UHFFFAOYSA-N 0 3 348.402 4.043 20 10 EICDHN C[C@@H](NCc1cnc(-c2ccccn2)s1)c1ccc(N(C)C)cc1 ZINC000775362446 1051129944 /nfs/dbraw/zinc/12/99/44/1051129944.db2.gz HHJUOSBOLBFSGM-CQSZACIVSA-N 0 3 338.480 4.122 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000775415980 1051291021 /nfs/dbraw/zinc/29/10/21/1051291021.db2.gz SJYPLJVCHFRAJZ-NVXWUHKLSA-N 0 3 339.357 4.185 20 10 EICDHN Cc1ccc(CN[C@](C)(CO)c2cc(Cl)cc(Cl)c2)c(O)c1 ZINC001181763256 1051298624 /nfs/dbraw/zinc/29/86/24/1051298624.db2.gz GPBMSFTUZPAMIG-QGZVFWFLSA-N 0 3 340.250 4.005 20 10 EICDHN CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000774160787 1051488979 /nfs/dbraw/zinc/48/89/79/1051488979.db2.gz BDMWMNYXOOHWDL-STQMWFEESA-N 0 3 345.314 4.470 20 10 EICDHN CC[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000775498168 1051616895 /nfs/dbraw/zinc/61/68/95/1051616895.db2.gz XSSWWDDZZMTYBU-QGZVFWFLSA-N 0 3 341.451 4.182 20 10 EICDHN CC[C@H]([NH2+]CC(C)(C)c1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000775501945 1051632593 /nfs/dbraw/zinc/63/25/93/1051632593.db2.gz NEIIUMQHDMLIJE-KRWDZBQOSA-N 0 3 343.467 4.428 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000775527987 1051718251 /nfs/dbraw/zinc/71/82/51/1051718251.db2.gz WZAOVJXNEHWZPG-GYOIFBIXSA-N 0 3 337.822 4.348 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000775526600 1051719465 /nfs/dbraw/zinc/71/94/65/1051719465.db2.gz SHJRNSNOLQLHMF-QAPCUYQASA-N 0 3 328.431 4.241 20 10 EICDHN C[C@@H]1CN(c2cccc(Cl)c2)CCN1Cc1ccc(N(C)C)cc1 ZINC001194551844 1052167923 /nfs/dbraw/zinc/16/79/23/1052167923.db2.gz NAGMZQBEJVBNEG-MRXNPFEDSA-N 0 3 343.902 4.117 20 10 EICDHN CCOc1cc2c(cc1C[NH2+][C@H](C)c1cc(F)ccc1[O-])O[C@H](C)C2 ZINC000184898108 1052298058 /nfs/dbraw/zinc/29/80/58/1052298058.db2.gz MDRKAJRIQNRVNN-CHWSQXEVSA-N 0 3 345.414 4.104 20 10 EICDHN Cc1ccc([C@@H](C)NCc2cccnc2OC2CCCC2)c(O)c1 ZINC000185010426 1052360224 /nfs/dbraw/zinc/36/02/24/1052360224.db2.gz ARELVVIBPWHIHF-OAHLLOKOSA-N 0 3 326.440 4.268 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c([O-])c1 ZINC000185062640 1052388598 /nfs/dbraw/zinc/38/85/98/1052388598.db2.gz WOGKNEQWQBAMQX-INIZCTEOSA-N 0 3 342.508 4.105 20 10 EICDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000185124064 1052446806 /nfs/dbraw/zinc/44/68/06/1052446806.db2.gz DWQPLVOJNDRLFA-INIZCTEOSA-N 0 3 343.442 4.239 20 10 EICDHN CC[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1[O-] ZINC000186136270 1052937638 /nfs/dbraw/zinc/93/76/38/1052937638.db2.gz GMHYOMPADVIOOM-GOSISDBHSA-N 0 3 326.465 4.238 20 10 EICDHN CCc1noc(CC)c1CNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850182490 1053081711 /nfs/dbraw/zinc/08/17/11/1053081711.db2.gz HEKUHPQONXNOHN-UHFFFAOYSA-N 0 3 346.471 4.101 20 10 EICDHN CN(C)c1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000764635026 1053241693 /nfs/dbraw/zinc/24/16/93/1053241693.db2.gz KTEBZOUHVHYXLD-SFHVURJKSA-N 0 3 330.859 4.410 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H]3C)c2c1 ZINC000794654577 1053250031 /nfs/dbraw/zinc/25/00/31/1053250031.db2.gz DHGQHVFIPKOXPZ-MEDUHNTESA-N 0 3 339.357 4.327 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H]3C)c2c1 ZINC000794654577 1053250063 /nfs/dbraw/zinc/25/00/63/1053250063.db2.gz DHGQHVFIPKOXPZ-MEDUHNTESA-N 0 3 339.357 4.327 20 10 EICDHN C[C@H]1C[C@@H]([NH2+]CCc2noc3ccccc32)c2c1c(F)ccc2[O-] ZINC000850482567 1053254237 /nfs/dbraw/zinc/25/42/37/1053254237.db2.gz KAVLKGXHAVLEHB-XHDPSFHLSA-N 0 3 326.371 4.053 20 10 EICDHN COC[C@H](N[C@@H](C)c1ccc(C)c(C)c1O)c1cccc(OC)c1 ZINC000850513806 1053274848 /nfs/dbraw/zinc/27/48/48/1053274848.db2.gz JPVVBKNTSMBTCI-KXBFYZLASA-N 0 3 329.440 4.056 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@H](COC)c2cccc(OC)c2)cc1 ZINC000850515006 1053275516 /nfs/dbraw/zinc/27/55/16/1053275516.db2.gz TUWYZCCWJUYRPC-IIBYNOLFSA-N 0 3 342.483 4.190 20 10 EICDHN Cc1cc(Br)cc(C[N@H+](C)Cc2cccs2)c1[O-] ZINC000775642197 1053301664 /nfs/dbraw/zinc/30/16/64/1053301664.db2.gz IGBYWQVLISJVIJ-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN Cc1cc(Br)cc(C[N@@H+](C)Cc2cccs2)c1[O-] ZINC000775642197 1053301681 /nfs/dbraw/zinc/30/16/81/1053301681.db2.gz IGBYWQVLISJVIJ-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1[O-] ZINC000850569314 1053321713 /nfs/dbraw/zinc/32/17/13/1053321713.db2.gz ACEPEGFOIGKFOW-CQSZACIVSA-N 0 3 325.330 4.374 20 10 EICDHN C[C@@H](N[C@H](CCc1ccccc1)c1ccccc1O)c1nccn1C ZINC000850572471 1053326619 /nfs/dbraw/zinc/32/66/19/1053326619.db2.gz KMGJAIUGGPGUKB-VQIMIIECSA-N 0 3 335.451 4.150 20 10 EICDHN C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850584370 1053334245 /nfs/dbraw/zinc/33/42/45/1053334245.db2.gz QWHBIDRJBZAIST-NJNPRVFISA-N 0 3 338.495 4.450 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1cccc(OC)c1)N(C)C)c1ccc(C)cc1[O-] ZINC000794792887 1053388047 /nfs/dbraw/zinc/38/80/47/1053388047.db2.gz GZVPTXIQYUBHPL-PMACEKPBSA-N 0 3 342.483 4.053 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794803720 1053395799 /nfs/dbraw/zinc/39/57/99/1053395799.db2.gz SMOPEPSUZBLEQG-HNAYVOBHSA-N 0 3 329.440 4.217 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCN(c2cccc(OC)c2)C1)c1ccc(C)cc1[O-] ZINC000794807024 1053400354 /nfs/dbraw/zinc/40/03/54/1053400354.db2.gz JFEVQCHOQPFVJY-OXJNMPFZSA-N 0 3 340.467 4.029 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(C)cc1[O-] ZINC000794808358 1053403270 /nfs/dbraw/zinc/40/32/70/1053403270.db2.gz AGPXOPQINGMCIY-YOEHRIQHSA-N 0 3 345.874 4.069 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCCCCn1cccn1)Cc1ccco1 ZINC000109761306 1053420142 /nfs/dbraw/zinc/42/01/42/1053420142.db2.gz VDIRIYMRIDPHDW-UHFFFAOYSA-N 0 3 339.439 4.054 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCCCCn1cccn1)Cc1ccco1 ZINC000109761306 1053420150 /nfs/dbraw/zinc/42/01/50/1053420150.db2.gz VDIRIYMRIDPHDW-UHFFFAOYSA-N 0 3 339.439 4.054 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(C)cc1[O-] ZINC000794815274 1053422146 /nfs/dbraw/zinc/42/21/46/1053422146.db2.gz JPQRSLNPLUXAOW-WMZOPIPTSA-N 0 3 337.822 4.267 20 10 EICDHN C[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccccc1[O-] ZINC000109771410 1053423049 /nfs/dbraw/zinc/42/30/49/1053423049.db2.gz INDULCPMABAOIL-UHFFFAOYSA-N 0 3 334.419 4.006 20 10 EICDHN C[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccccc1[O-] ZINC000109771410 1053423056 /nfs/dbraw/zinc/42/30/56/1053423056.db2.gz INDULCPMABAOIL-UHFFFAOYSA-N 0 3 334.419 4.006 20 10 EICDHN CC[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(C)cc1[O-] ZINC000794817709 1053432131 /nfs/dbraw/zinc/43/21/31/1053432131.db2.gz VDCSQXMZDVIFKD-HKUYNNGSSA-N 0 3 333.859 4.302 20 10 EICDHN CC(C)(C)OC(=O)Nc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000691779251 1053455023 /nfs/dbraw/zinc/45/50/23/1053455023.db2.gz WNPQNQYOVGZCIX-UHFFFAOYSA-N 0 3 328.412 4.029 20 10 EICDHN Cc1c(Cl)cccc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000765371125 1053519269 /nfs/dbraw/zinc/51/92/69/1053519269.db2.gz NWQRJWUYILROJB-CQSZACIVSA-N 0 3 345.874 4.004 20 10 EICDHN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc2c(c1)CCCN2C ZINC000765478864 1053561984 /nfs/dbraw/zinc/56/19/84/1053561984.db2.gz GMMOCRVITDCDBC-HXUWFJFHSA-N 0 3 336.479 4.381 20 10 EICDHN COc1cc(CN[C@H](C)c2cnc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000865701111 1053577206 /nfs/dbraw/zinc/57/72/06/1053577206.db2.gz APPNRINXEKFSLP-LLVKDONJSA-N 0 3 334.485 4.314 20 10 EICDHN CC[C@@H](NCc1cnccc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000853239704 1053655332 /nfs/dbraw/zinc/65/53/32/1053655332.db2.gz CCWJUNJIZSPQML-QGZVFWFLSA-N 0 3 337.389 4.407 20 10 EICDHN CC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240308 1053655898 /nfs/dbraw/zinc/65/58/98/1053655898.db2.gz OSPZUWUCLMNJKX-YJBOKZPZSA-N 0 3 336.907 4.208 20 10 EICDHN CCn1nccc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000853239341 1053656021 /nfs/dbraw/zinc/65/60/21/1053656021.db2.gz FVMAWGUJHFJSBV-FQEVSTJZSA-N 0 3 335.451 4.072 20 10 EICDHN Cc1ccc([C@H](C)N[C@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000853240518 1053658036 /nfs/dbraw/zinc/65/80/36/1053658036.db2.gz HNPRCAABKFDQTD-YJBOKZPZSA-N 0 3 333.435 4.224 20 10 EICDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1[O-] ZINC000775720573 1053693896 /nfs/dbraw/zinc/69/38/96/1053693896.db2.gz MHUJGFMPHFESHV-QGZVFWFLSA-N 0 3 345.870 4.393 20 10 EICDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1[O-] ZINC000775720573 1053693905 /nfs/dbraw/zinc/69/39/05/1053693905.db2.gz MHUJGFMPHFESHV-QGZVFWFLSA-N 0 3 345.870 4.393 20 10 EICDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)c1ccnn1C ZINC000866612314 1053804688 /nfs/dbraw/zinc/80/46/88/1053804688.db2.gz GSCHFNFQVMYGHQ-IAGOWNOFSA-N 0 3 326.488 4.212 20 10 EICDHN CCn1nc(C)c(CN[C@H](C)c2ccc(N3CCCCC3)cc2)c1C ZINC000765659403 1053832052 /nfs/dbraw/zinc/83/20/52/1053832052.db2.gz LVVWGNZHZOYZLL-MRXNPFEDSA-N 0 3 340.515 4.361 20 10 EICDHN Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265650801 1054219299 /nfs/dbraw/zinc/21/92/99/1054219299.db2.gz NCUPBKJSYBDMPQ-CQSZACIVSA-N 0 3 336.435 4.385 20 10 EICDHN CO[C@H](CN[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(F)(F)F ZINC000777006429 1054426599 /nfs/dbraw/zinc/42/65/99/1054426599.db2.gz JHXUIFZRYVEBBA-WMLDXEAASA-N 0 3 344.421 4.295 20 10 EICDHN Cc1cnn(CC[N@H+](Cc2ccccc2[O-])[C@H](C)c2ccccc2)c1 ZINC000776004667 1054439329 /nfs/dbraw/zinc/43/93/29/1054439329.db2.gz UNXRDJCBHONPQN-GOSISDBHSA-N 0 3 335.451 4.161 20 10 EICDHN Cc1cnn(CC[N@@H+](Cc2ccccc2[O-])[C@H](C)c2ccccc2)c1 ZINC000776004667 1054439336 /nfs/dbraw/zinc/43/93/36/1054439336.db2.gz UNXRDJCBHONPQN-GOSISDBHSA-N 0 3 335.451 4.161 20 10 EICDHN C[C@H](c1ccccc1)[N@H+](CCOCC1CC1)Cc1ccccc1[O-] ZINC000776008532 1054442607 /nfs/dbraw/zinc/44/26/07/1054442607.db2.gz HIOQKKXUNSUGJN-QGZVFWFLSA-N 0 3 325.452 4.382 20 10 EICDHN C[C@H](c1ccccc1)[N@@H+](CCOCC1CC1)Cc1ccccc1[O-] ZINC000776008532 1054442616 /nfs/dbraw/zinc/44/26/16/1054442616.db2.gz HIOQKKXUNSUGJN-QGZVFWFLSA-N 0 3 325.452 4.382 20 10 EICDHN COc1cc(Cl)c(CNCc2cc(C)ccc2O)cc1Cl ZINC000858237806 1054443335 /nfs/dbraw/zinc/44/33/35/1054443335.db2.gz QEGRQCSIXPTSTB-UHFFFAOYSA-N 0 3 326.223 4.306 20 10 EICDHN CN(C)c1ccc(CNCc2ccccc2CC(F)(F)F)cc1F ZINC000858329600 1054465879 /nfs/dbraw/zinc/46/58/79/1054465879.db2.gz BMVJTCXYGMSZRC-UHFFFAOYSA-N 0 3 340.364 4.286 20 10 EICDHN CCOc1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)c([O-])c1 ZINC000858330393 1054466472 /nfs/dbraw/zinc/46/64/72/1054466472.db2.gz SPRUDLCWABEWGO-UHFFFAOYSA-N 0 3 339.357 4.186 20 10 EICDHN COc1cccc(CN(C)Cc2ccccc2C(F)(F)F)c1O ZINC000125449636 1054797630 /nfs/dbraw/zinc/79/76/30/1054797630.db2.gz VWBRQPGOHHOCDU-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN Cc1ccc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c(O)c1 ZINC000876621190 1054940786 /nfs/dbraw/zinc/94/07/86/1054940786.db2.gz XTIHEHGBJOKDSF-UHFFFAOYSA-N 0 3 345.389 4.074 20 10 EICDHN CC[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(N(C)C)cc1 ZINC000777234113 1055033714 /nfs/dbraw/zinc/03/37/14/1055033714.db2.gz HHHZPKWBHNCZTC-GOSISDBHSA-N 0 3 338.451 4.211 20 10 EICDHN Cc1cccc(CNCc2cc(C(F)(F)F)cc(Cl)n2)c1O ZINC000877806033 1055121985 /nfs/dbraw/zinc/12/19/85/1055121985.db2.gz COTMKMLPBROJKQ-UHFFFAOYSA-N 0 3 330.737 4.058 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000877827661 1055129777 /nfs/dbraw/zinc/12/97/77/1055129777.db2.gz IDHPTIPJSFUBQE-CYBMUJFWSA-N 0 3 337.389 4.326 20 10 EICDHN CO[C@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])[C@H](C)c2ccccc2)C1 ZINC000878326272 1055247220 /nfs/dbraw/zinc/24/72/20/1055247220.db2.gz QQIVTVOIZSJJMB-HLIPFELVSA-N 0 3 325.452 4.380 20 10 EICDHN CO[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])[C@H](C)c2ccccc2)C1 ZINC000878326272 1055247241 /nfs/dbraw/zinc/24/72/41/1055247241.db2.gz QQIVTVOIZSJJMB-HLIPFELVSA-N 0 3 325.452 4.380 20 10 EICDHN CCN(C)c1ccc([C@H](C)NCc2ccccc2N(C)CC)cc1 ZINC000765847378 1055866889 /nfs/dbraw/zinc/86/68/89/1055866889.db2.gz CATTWBMQRDAZTL-KRWDZBQOSA-N 0 3 325.500 4.450 20 10 EICDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000742162877 1058537175 /nfs/dbraw/zinc/53/71/75/1058537175.db2.gz ODKZCDPDQCJIDQ-MGPUTAFESA-N 0 3 329.415 4.110 20 10 EICDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000742162876 1058538751 /nfs/dbraw/zinc/53/87/51/1058538751.db2.gz ODKZCDPDQCJIDQ-FOIQADDNSA-N 0 3 329.415 4.110 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@H](C(C)C)C3)c2c1 ZINC000743396355 1058974899 /nfs/dbraw/zinc/97/48/99/1058974899.db2.gz RCWWJDWAZRFICQ-IBGZPJMESA-N 0 3 331.481 4.127 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@H](C(C)C)C3)c2c1 ZINC000743396355 1058974916 /nfs/dbraw/zinc/97/49/16/1058974916.db2.gz RCWWJDWAZRFICQ-IBGZPJMESA-N 0 3 331.481 4.127 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccccc1[O-] ZINC000038018537 202388031 /nfs/dbraw/zinc/38/80/31/202388031.db2.gz WKUYMHFLSGJMIU-GFCCVEGCSA-N 0 3 326.259 4.457 20 10 EICDHN Cc1cnn(-c2ccc([C@@H](C)[NH2+][C@H](C)c3ccccc3[O-])cc2F)c1 ZINC000359998247 201124154 /nfs/dbraw/zinc/12/41/54/201124154.db2.gz WQCANTISKVZIHK-HUUCEWRRSA-N 0 3 339.414 4.437 20 10 EICDHN C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729681941 1032130777 /nfs/dbraw/zinc/13/07/77/1032130777.db2.gz BQBQAOQTSZGTCB-INIZCTEOSA-N 0 3 333.431 4.486 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000160206251 1018848114 /nfs/dbraw/zinc/84/81/14/1018848114.db2.gz HUQCRTFPDYIIKV-SFHVURJKSA-N 0 3 336.435 4.055 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc2[nH]ccc21)C[C@@H]1CCCO1 ZINC000160206251 1018848115 /nfs/dbraw/zinc/84/81/15/1018848115.db2.gz HUQCRTFPDYIIKV-SFHVURJKSA-N 0 3 336.435 4.055 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000382435579 1019274760 /nfs/dbraw/zinc/27/47/60/1019274760.db2.gz VNCVOOCFSMGMES-UXLLHSPISA-N 0 3 348.487 4.126 20 10 EICDHN Cc1ccc(O)c([C@@H](C)NCc2nc3cccc(Cl)c3n2C)c1 ZINC000274812006 1019746837 /nfs/dbraw/zinc/74/68/37/1019746837.db2.gz YABCUBOGCWIOAR-GFCCVEGCSA-N 0 3 329.831 4.092 20 10 EICDHN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](CC)c2ccccc2[O-])c1 ZINC000155194874 1020336891 /nfs/dbraw/zinc/33/68/91/1020336891.db2.gz YCYYUSJREFYLOG-DNVCBOLYSA-N 0 3 340.467 4.161 20 10 EICDHN Cc1cc(C[N@@H+]2CCc3cccc([O-])c3C2)cc(OC(F)(F)F)c1 ZINC001143471580 1022631245 /nfs/dbraw/zinc/63/12/45/1022631245.db2.gz JOWBHVLHIZMBPR-UHFFFAOYSA-N 0 3 337.341 4.158 20 10 EICDHN Cc1cc(C[N@H+]2CCc3cccc([O-])c3C2)cc(OC(F)(F)F)c1 ZINC001143471580 1022631260 /nfs/dbraw/zinc/63/12/60/1022631260.db2.gz JOWBHVLHIZMBPR-UHFFFAOYSA-N 0 3 337.341 4.158 20 10 EICDHN Cn1cncc1CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000290020558 1023141623 /nfs/dbraw/zinc/14/16/23/1023141623.db2.gz ZLBSBMQFTJIPCY-UHFFFAOYSA-N 0 3 329.488 4.011 20 10 EICDHN C[C@@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992629 1023498083 /nfs/dbraw/zinc/49/80/83/1023498083.db2.gz IAMQMNPBVICZFM-IERDGZPVSA-N 0 3 342.458 4.094 20 10 EICDHN CN(C)CCN(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255368767 1023803045 /nfs/dbraw/zinc/80/30/45/1023803045.db2.gz KKVUYYFFWNEMCT-UHFFFAOYSA-N 0 3 325.416 4.127 20 10 EICDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)cc1)CCCS2 ZINC000187705778 1023902906 /nfs/dbraw/zinc/90/29/06/1023902906.db2.gz JPDLYULZDAZDOE-IBGZPJMESA-N 0 3 342.508 4.478 20 10 EICDHN CC[C@H](NCc1c(F)cccc1OC(F)F)c1ccccc1O ZINC000156684236 1025450010 /nfs/dbraw/zinc/45/00/10/1025450010.db2.gz KCBHXWMVEPJLIO-AWEZNQCLSA-N 0 3 325.330 4.374 20 10 EICDHN CC[C@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1ccc(C)cc1O ZINC000375663497 1026001161 /nfs/dbraw/zinc/00/11/61/1026001161.db2.gz JTGXJUNPYAHHRT-FPOVZHCZSA-N 0 3 335.451 4.264 20 10 EICDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000161267531 1026611617 /nfs/dbraw/zinc/61/16/17/1026611617.db2.gz CJEQWBQRWSSPNT-INIZCTEOSA-N 0 3 327.447 4.370 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1cnc2ccc(Cl)cn12 ZINC000475196345 1029416837 /nfs/dbraw/zinc/41/68/37/1029416837.db2.gz JJMBPIXWHCGEBO-UHFFFAOYSA-N 0 3 338.842 4.078 20 10 EICDHN COc1ccc(-c2ccncc2)cc1CN(C)Cc1ccccc1O ZINC000186907980 1030311262 /nfs/dbraw/zinc/31/12/62/1030311262.db2.gz KUOWRGFBGLPYIG-UHFFFAOYSA-N 0 3 334.419 4.095 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(C)cc1[O-] ZINC000280182487 1035197351 /nfs/dbraw/zinc/19/73/51/1035197351.db2.gz RSDRYKVIYCNANA-WBVHZDCISA-N 0 3 335.513 4.186 20 10 EICDHN CC[C@H](NCc1cccc(OC)c1OC)c1ccc(N(C)C)cc1 ZINC000165961101 1037030208 /nfs/dbraw/zinc/03/02/08/1037030208.db2.gz LFIBPXRNZAGHSW-SFHVURJKSA-N 0 3 328.456 4.011 20 10 EICDHN COc1cccc([C@@H]2CN(Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000166110282 1037065932 /nfs/dbraw/zinc/06/59/32/1037065932.db2.gz VIYPCEKOKIVBRU-QFIPXVFZSA-N 0 3 349.430 4.128 20 10 EICDHN COc1cccc([C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CCO2)c1 ZINC000166110282 1037065945 /nfs/dbraw/zinc/06/59/45/1037065945.db2.gz VIYPCEKOKIVBRU-QFIPXVFZSA-N 0 3 349.430 4.128 20 10 EICDHN COc1cccc([C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CCO2)c1 ZINC000166110282 1037065961 /nfs/dbraw/zinc/06/59/61/1037065961.db2.gz VIYPCEKOKIVBRU-QFIPXVFZSA-N 0 3 349.430 4.128 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H]1CSCCc2ccccc21 ZINC000766031021 1043076460 /nfs/dbraw/zinc/07/64/60/1043076460.db2.gz YSPMYQCLVNLGIX-FQEVSTJZSA-N 0 3 326.509 4.181 20 10 EICDHN CCN(CC)c1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1 ZINC000731041486 1043682230 /nfs/dbraw/zinc/68/22/30/1043682230.db2.gz BQRDGRONXOWQKX-UHFFFAOYSA-N 0 3 339.483 4.040 20 10 EICDHN Cc1ccccc1NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847154 1043834395 /nfs/dbraw/zinc/83/43/95/1043834395.db2.gz FRNWFYAMWWGDHF-UHFFFAOYSA-N 0 3 338.451 4.084 20 10 EICDHN Cc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847154 1043834400 /nfs/dbraw/zinc/83/44/00/1043834400.db2.gz FRNWFYAMWWGDHF-UHFFFAOYSA-N 0 3 338.451 4.084 20 10 EICDHN C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1ccccc1[O-] ZINC000731843406 1043835820 /nfs/dbraw/zinc/83/58/20/1043835820.db2.gz CYMXAEKXMDQQIL-UHFFFAOYSA-N 0 3 343.430 4.339 20 10 EICDHN C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1ccccc1[O-] ZINC000731843406 1043835821 /nfs/dbraw/zinc/83/58/21/1043835821.db2.gz CYMXAEKXMDQQIL-UHFFFAOYSA-N 0 3 343.430 4.339 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc2c(c1)OCCO2)C1CCCC1 ZINC000732204318 1043888109 /nfs/dbraw/zinc/88/81/09/1043888109.db2.gz INWMPPVWPOIQSZ-UHFFFAOYSA-N 0 3 339.435 4.108 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CCCC1 ZINC000732204318 1043888111 /nfs/dbraw/zinc/88/81/11/1043888111.db2.gz INWMPPVWPOIQSZ-UHFFFAOYSA-N 0 3 339.435 4.108 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1c(F)cccc1F)C1CCCC1 ZINC000732205722 1043888219 /nfs/dbraw/zinc/88/82/19/1043888219.db2.gz YFWOAWOPDILJAP-LJQANCHMSA-N 0 3 347.405 4.149 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1c(F)cccc1F)C1CCCC1 ZINC000732205722 1043888222 /nfs/dbraw/zinc/88/82/22/1043888222.db2.gz YFWOAWOPDILJAP-LJQANCHMSA-N 0 3 347.405 4.149 20 10 EICDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(CCOCc3ccccc3)CC1)CC2 ZINC000702912075 1044038679 /nfs/dbraw/zinc/03/86/79/1044038679.db2.gz BFOZKHVUEWXKAT-LJQANCHMSA-N 0 3 337.463 4.356 20 10 EICDHN CCN(CC)c1ccc(CN[C@H]2CCOc3c(OC)cccc32)cc1 ZINC000733331858 1044200164 /nfs/dbraw/zinc/20/01/64/1044200164.db2.gz JXMJGDJZPKSMRL-IBGZPJMESA-N 0 3 340.467 4.155 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(C(F)(F)F)nc1 ZINC000922328043 1044547329 /nfs/dbraw/zinc/54/73/29/1044547329.db2.gz NCBUGNQXTVXHBJ-GFCCVEGCSA-N 0 3 336.357 4.276 20 10 EICDHN CCc1cc(CNCc2ccc(N(CC)Cc3ccccc3)cc2)n[nH]1 ZINC000738431262 1045060466 /nfs/dbraw/zinc/06/04/66/1045060466.db2.gz NDQOZZWOLNFYLJ-UHFFFAOYSA-N 0 3 348.494 4.288 20 10 EICDHN CCOc1ccc2c(c1)[C@H]([NH2+][C@H](CC)c1ccccc1[O-])CCO2 ZINC000186692406 1045131954 /nfs/dbraw/zinc/13/19/54/1045131954.db2.gz OBIAJPXJCFLTGX-QZTJIDSGSA-N 0 3 327.424 4.355 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000790617706 1045549856 /nfs/dbraw/zinc/54/98/56/1045549856.db2.gz BXKMOHGJHNMBML-UHFFFAOYSA-N 0 3 343.430 4.268 20 10 EICDHN CCN(C)c1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000790696031 1045559484 /nfs/dbraw/zinc/55/94/84/1045559484.db2.gz PBUJCHXMKBBQQR-OAHLLOKOSA-N 0 3 327.428 4.210 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc2cc[nH]c21)C[C@@H]1CCCO1 ZINC000768162144 1045728631 /nfs/dbraw/zinc/72/86/31/1045728631.db2.gz MGSGNCHSCMNYLH-IBGZPJMESA-N 0 3 336.435 4.055 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2cc[nH]c21)C[C@@H]1CCCO1 ZINC000768162144 1045728621 /nfs/dbraw/zinc/72/86/21/1045728621.db2.gz MGSGNCHSCMNYLH-IBGZPJMESA-N 0 3 336.435 4.055 20 10 EICDHN COc1cc(C[N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])ccc1O ZINC000768239078 1045752171 /nfs/dbraw/zinc/75/21/71/1045752171.db2.gz CEZYHKNHWNAAMJ-UHFFFAOYSA-N 0 3 349.430 4.405 20 10 EICDHN COc1cc(C[N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])ccc1O ZINC000768239078 1045752184 /nfs/dbraw/zinc/75/21/84/1045752184.db2.gz CEZYHKNHWNAAMJ-UHFFFAOYSA-N 0 3 349.430 4.405 20 10 EICDHN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769147174 1045880001 /nfs/dbraw/zinc/88/00/01/1045880001.db2.gz BSSXLLWHQBXTEW-CVEARBPZSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769147174 1045879994 /nfs/dbraw/zinc/87/99/94/1045879994.db2.gz BSSXLLWHQBXTEW-CVEARBPZSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769147183 1045880133 /nfs/dbraw/zinc/88/01/33/1045880133.db2.gz BSSXLLWHQBXTEW-JKSUJKDBSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769147183 1045880137 /nfs/dbraw/zinc/88/01/37/1045880137.db2.gz BSSXLLWHQBXTEW-JKSUJKDBSA-N 0 3 336.907 4.132 20 10 EICDHN COc1cc(CN(C)Cc2ccc(N(C)C)c(F)c2)ccc1SC ZINC000769192800 1045885786 /nfs/dbraw/zinc/88/57/86/1045885786.db2.gz PGCZJRMQUPPYOJ-UHFFFAOYSA-N 0 3 348.487 4.254 20 10 EICDHN CCCN(Cc1ccccc1O)Cc1ccc(OC)c(OC)c1Cl ZINC000769201071 1045893821 /nfs/dbraw/zinc/89/38/21/1045893821.db2.gz PWSVJTWCVQGXSI-UHFFFAOYSA-N 0 3 349.858 4.475 20 10 EICDHN CN(C)c1ccc(CN2CCC(OC3CCCCC3)CC2)cc1F ZINC000769218833 1045896054 /nfs/dbraw/zinc/89/60/54/1045896054.db2.gz SWNMWZSJNOYNGF-UHFFFAOYSA-N 0 3 334.479 4.205 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cn2cccc(F)c2n1)C1CCCC1 ZINC000769385328 1045944246 /nfs/dbraw/zinc/94/42/46/1045944246.db2.gz VXKUPRLFAUROQG-UHFFFAOYSA-N 0 3 339.414 4.124 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cn2cccc(F)c2n1)C1CCCC1 ZINC000769385328 1045944254 /nfs/dbraw/zinc/94/42/54/1045944254.db2.gz VXKUPRLFAUROQG-UHFFFAOYSA-N 0 3 339.414 4.124 20 10 EICDHN CC(C)(C)c1n[nH]cc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000769384466 1045944432 /nfs/dbraw/zinc/94/44/32/1045944432.db2.gz OYHYDYGHKKQXOJ-UHFFFAOYSA-N 0 3 327.472 4.358 20 10 EICDHN CC(C)(C)c1n[nH]cc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000769384466 1045944444 /nfs/dbraw/zinc/94/44/44/1045944444.db2.gz OYHYDYGHKKQXOJ-UHFFFAOYSA-N 0 3 327.472 4.358 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000769929268 1046113687 /nfs/dbraw/zinc/11/36/87/1046113687.db2.gz YAHUENKEAHXPSL-RXVVDRJESA-N 0 3 339.479 4.480 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000769929260 1046114970 /nfs/dbraw/zinc/11/49/70/1046114970.db2.gz YAHUENKEAHXPSL-GHTZIAJQSA-N 0 3 339.479 4.480 20 10 EICDHN CCC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H](O)c1ccccc1 ZINC000793236107 1046181496 /nfs/dbraw/zinc/18/14/96/1046181496.db2.gz BPYZYLALKKCMNI-FUHWJXTLSA-N 0 3 349.858 4.046 20 10 EICDHN COCCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCC1 ZINC000793329568 1046209109 /nfs/dbraw/zinc/20/91/09/1046209109.db2.gz MVJCSUIGLYTJEX-UHFFFAOYSA-N 0 3 341.451 4.020 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000770509998 1046211281 /nfs/dbraw/zinc/21/12/81/1046211281.db2.gz GAIJCJIPSNTYFH-UHFFFAOYSA-N 0 3 332.241 4.319 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000770509998 1046211297 /nfs/dbraw/zinc/21/12/97/1046211297.db2.gz GAIJCJIPSNTYFH-UHFFFAOYSA-N 0 3 332.241 4.319 20 10 EICDHN COc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)c([O-])c1 ZINC000793388534 1046232819 /nfs/dbraw/zinc/23/28/19/1046232819.db2.gz FRLVYXQVTMOYCP-LEWSCRJBSA-N 0 3 337.872 4.398 20 10 EICDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)c(C)n1 ZINC000771382958 1046378148 /nfs/dbraw/zinc/37/81/48/1046378148.db2.gz IXNJOPHWLLQWNK-MRXNPFEDSA-N 0 3 341.524 4.102 20 10 EICDHN CSc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])ccn1 ZINC000771880318 1046508943 /nfs/dbraw/zinc/50/89/43/1046508943.db2.gz GMSHHJVQLFQFGZ-UHFFFAOYSA-N 0 3 336.460 4.466 20 10 EICDHN C[C@@H](NCc1cnc(-c2ccco2)s1)c1ccc(N(C)C)cc1 ZINC000785510662 1046711228 /nfs/dbraw/zinc/71/12/28/1046711228.db2.gz ASLSDXQUYDSONI-CYBMUJFWSA-N 0 3 327.453 4.320 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]Cc2cccc3cc[nH]c32)c1[O-] ZINC000786578118 1046849923 /nfs/dbraw/zinc/84/99/23/1046849923.db2.gz HUMKUMASEOPJOA-UHFFFAOYSA-N 0 3 345.240 4.234 20 10 EICDHN Cc1c([C@H](C)NCc2ccc(N(C)C)cc2C)cnn1C(C)(C)C ZINC000786913298 1046880173 /nfs/dbraw/zinc/88/01/73/1046880173.db2.gz XBAMCCGFHVUWDW-HNNXBMFYSA-N 0 3 328.504 4.172 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCOCC(F)(F)C(F)F)C1CCCC1 ZINC000787247063 1046957523 /nfs/dbraw/zinc/95/75/23/1046957523.db2.gz RCMIJIFIXIBUSM-UHFFFAOYSA-N 0 3 349.368 4.054 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCOCC(F)(F)C(F)F)C1CCCC1 ZINC000787247063 1046957551 /nfs/dbraw/zinc/95/75/51/1046957551.db2.gz RCMIJIFIXIBUSM-UHFFFAOYSA-N 0 3 349.368 4.054 20 10 EICDHN CCCN(Cc1cc(C)ccc1O)[C@H](C)C(=O)Nc1ccccc1C ZINC000787331805 1046982134 /nfs/dbraw/zinc/98/21/34/1046982134.db2.gz GTHIJRZEWUENRP-QGZVFWFLSA-N 0 3 340.467 4.248 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131123 1047155692 /nfs/dbraw/zinc/15/56/92/1047155692.db2.gz GOGRYKFUGFLXFD-XHDPSFHLSA-N 0 3 331.287 4.082 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000806175145 1047160082 /nfs/dbraw/zinc/16/00/82/1047160082.db2.gz VUQGLNORIMOELC-PXAZEXFGSA-N 0 3 339.357 4.104 20 10 EICDHN CC[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cccc(Cl)c1[O-] ZINC000806165733 1047187955 /nfs/dbraw/zinc/18/79/55/1047187955.db2.gz OJWPCYKIAKFRIF-MRXNPFEDSA-N 0 3 329.831 4.205 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000806181566 1047193326 /nfs/dbraw/zinc/19/33/26/1047193326.db2.gz YBRYFVVKFDIHLT-KFNAQCHYSA-N 0 3 349.833 4.099 20 10 EICDHN COc1cc([C@@H](C)NCc2ccc(N3CCC(C)CC3)cc2)ccn1 ZINC000788590748 1047240015 /nfs/dbraw/zinc/24/00/15/1047240015.db2.gz GJOUXGXBCTUXCU-QGZVFWFLSA-N 0 3 339.483 4.177 20 10 EICDHN Oc1ccccc1CN(Cc1cc2ccccc2[nH]1)C[C@@H]1CCCO1 ZINC000789722571 1047468915 /nfs/dbraw/zinc/46/89/15/1047468915.db2.gz MLXUKJZPQZXXEE-IBGZPJMESA-N 0 3 336.435 4.055 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)c([O-])c1 ZINC000897998144 1047524329 /nfs/dbraw/zinc/52/43/29/1047524329.db2.gz PFZSHXBVOPVIID-IBGZPJMESA-N 0 3 328.456 4.371 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1[O-] ZINC000814178657 1047868964 /nfs/dbraw/zinc/86/89/64/1047868964.db2.gz YIWHXUDWXPXTJR-UHFFFAOYSA-N 0 3 334.803 4.287 20 10 EICDHN Cc1cc(Cl)cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1O ZINC000814178657 1047868967 /nfs/dbraw/zinc/86/89/67/1047868967.db2.gz YIWHXUDWXPXTJR-UHFFFAOYSA-N 0 3 334.803 4.287 20 10 EICDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825045538 1048024387 /nfs/dbraw/zinc/02/43/87/1048024387.db2.gz GGBWUPHSWHXQOM-OTYXRUKQSA-N 0 3 337.341 4.156 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1[O-] ZINC000808694572 1048038428 /nfs/dbraw/zinc/03/84/28/1048038428.db2.gz DXWQSGYMFRSEGO-CYBMUJFWSA-N 0 3 332.831 4.033 20 10 EICDHN CCCN(CCC)c1ccc(CN[C@H](C)c2cnn(CC)c2)cc1 ZINC000825130087 1048039567 /nfs/dbraw/zinc/03/95/67/1048039567.db2.gz MFSOBXVEHHDRLR-QGZVFWFLSA-N 0 3 328.504 4.380 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000808707068 1048051825 /nfs/dbraw/zinc/05/18/25/1048051825.db2.gz ZPNCDGZDHBMUJR-PZROIBLQSA-N 0 3 337.822 4.266 20 10 EICDHN CCCOc1ccc(C[NH2+][C@@H](CC)c2ccccc2[O-])cc1OC ZINC000155080741 1048053589 /nfs/dbraw/zinc/05/35/89/1048053589.db2.gz PGAAUBAXPDHLBX-KRWDZBQOSA-N 0 3 329.440 4.431 20 10 EICDHN Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808719523 1048066238 /nfs/dbraw/zinc/06/62/38/1048066238.db2.gz VERPWFDRTVPUCG-BIENJYKASA-N 0 3 333.859 4.435 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000808696723 1048077650 /nfs/dbraw/zinc/07/76/50/1048077650.db2.gz SDWIBXNYQXXIDS-IUUKEHGRSA-N 0 3 337.822 4.266 20 10 EICDHN [O-]c1ccccc1C[NH2+]CCc1ccc(Br)cc1Cl ZINC000815165831 1048358557 /nfs/dbraw/zinc/35/85/57/1048358557.db2.gz PKPJPFFFIGPBJH-UHFFFAOYSA-N 0 3 340.648 4.140 20 10 EICDHN CCCC(=O)Nc1cccc(C[NH2+][C@@H](CC)c2ccccc2[O-])c1 ZINC000155186598 1048466983 /nfs/dbraw/zinc/46/69/83/1048466983.db2.gz FKBWEWCMKRBYDX-SFHVURJKSA-N 0 3 326.440 4.372 20 10 EICDHN CCC[C@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOC1 ZINC000809703480 1048487210 /nfs/dbraw/zinc/48/72/10/1048487210.db2.gz KOEWOMQKGXAMTR-NRFANRHFSA-N 0 3 341.451 4.020 20 10 EICDHN CCOC1CC2(C1)CC[N@H+](Cc1cc(-c3ccccc3)ccc1[O-])C2 ZINC000809707676 1048488986 /nfs/dbraw/zinc/48/89/86/1048488986.db2.gz LIBLNMCNDHXYTE-UHFFFAOYSA-N 0 3 337.463 4.450 20 10 EICDHN CCOC1CC2(C1)CC[N@@H+](Cc1cc(-c3ccccc3)ccc1[O-])C2 ZINC000809707676 1048488992 /nfs/dbraw/zinc/48/89/92/1048488992.db2.gz LIBLNMCNDHXYTE-UHFFFAOYSA-N 0 3 337.463 4.450 20 10 EICDHN C[C@H](NCc1cc(F)ccc1O)c1ccc(Br)cc1F ZINC000809719476 1048496645 /nfs/dbraw/zinc/49/66/45/1048496645.db2.gz GNXXWSMVHHCTSH-VIFPVBQESA-N 0 3 342.183 4.284 20 10 EICDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(Br)cc1F ZINC000809719476 1048496654 /nfs/dbraw/zinc/49/66/54/1048496654.db2.gz GNXXWSMVHHCTSH-VIFPVBQESA-N 0 3 342.183 4.284 20 10 EICDHN CC(C)OCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815553720 1048506047 /nfs/dbraw/zinc/50/60/47/1048506047.db2.gz IDTJQQISKMGYKV-HXUWFJFHSA-N 0 3 327.468 4.471 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCc1cccnc1 ZINC000815557967 1048508920 /nfs/dbraw/zinc/50/89/20/1048508920.db2.gz LSWUUOMKTJUODN-OAQYLSRUSA-N 0 3 332.447 4.293 20 10 EICDHN COc1ccc(-c2ccccc2)cc1CNCc1cccc(OC)c1O ZINC000809740331 1048512323 /nfs/dbraw/zinc/51/23/23/1048512323.db2.gz UJPXGRRQFBOLHM-UHFFFAOYSA-N 0 3 349.430 4.366 20 10 EICDHN COc1cccc(CNCc2ccc(-c3ccccc3)cc2F)c1O ZINC000809740244 1048513773 /nfs/dbraw/zinc/51/37/73/1048513773.db2.gz QXMPDBDYIGJNGA-UHFFFAOYSA-N 0 3 337.394 4.497 20 10 EICDHN CC1(O)CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815586501 1048523045 /nfs/dbraw/zinc/52/30/45/1048523045.db2.gz KIKSLGLLRTYMTI-JGBTYHIZSA-N 0 3 339.479 4.349 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000815582717 1048523283 /nfs/dbraw/zinc/52/32/83/1048523283.db2.gz NRLUDYLVEXMMKF-ZJOUEHCJSA-N 0 3 339.479 4.207 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c([O-])c1 ZINC000815598662 1048533043 /nfs/dbraw/zinc/53/30/43/1048533043.db2.gz ZTMWVFLZCRLCRL-HKUYNNGSSA-N 0 3 341.495 4.462 20 10 EICDHN COC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCC1 ZINC000815613952 1048540327 /nfs/dbraw/zinc/54/03/27/1048540327.db2.gz BJJCIPBADOIDRQ-LJQANCHMSA-N 0 3 325.452 4.225 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@H]1CCO ZINC000815618992 1048545931 /nfs/dbraw/zinc/54/59/31/1048545931.db2.gz ZJUWPZOBSITKQK-SESVDKBCSA-N 0 3 339.479 4.207 20 10 EICDHN Oc1ccccc1[C@H](CCc1ccccc1)NCc1cccnc1F ZINC000815621811 1048549335 /nfs/dbraw/zinc/54/93/35/1048549335.db2.gz FFCFLXCLMXKIIK-IBGZPJMESA-N 0 3 336.410 4.390 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1cccnc1F ZINC000815621811 1048549344 /nfs/dbraw/zinc/54/93/44/1048549344.db2.gz FFCFLXCLMXKIIK-IBGZPJMESA-N 0 3 336.410 4.390 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000815627484 1048551610 /nfs/dbraw/zinc/55/16/10/1048551610.db2.gz BWULJVCHTVOYAM-IRXDYDNUSA-N 0 3 342.458 4.325 20 10 EICDHN C[C@@H]1COCC[C@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815626002 1048551737 /nfs/dbraw/zinc/55/17/37/1048551737.db2.gz RVPNYOKKMFCFCT-SLYNCCJLSA-N 0 3 339.479 4.328 20 10 EICDHN CSc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000815659988 1048561218 /nfs/dbraw/zinc/56/12/18/1048561218.db2.gz PHDUZVFUKFDEAN-KSSFIOAISA-N 0 3 330.497 4.068 20 10 EICDHN CSc1ccc([C@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])N(C)C)cc1 ZINC000815660098 1048561445 /nfs/dbraw/zinc/56/14/45/1048561445.db2.gz RHCUQFMQUVJNKN-UGSOOPFHSA-N 0 3 348.487 4.207 20 10 EICDHN CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)c1ccccc1[O-] ZINC000815639296 1048565536 /nfs/dbraw/zinc/56/55/36/1048565536.db2.gz TUMBPDMTRGYWJA-OAHLLOKOSA-N 0 3 349.858 4.346 20 10 EICDHN CSc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000810135474 1048643306 /nfs/dbraw/zinc/64/33/06/1048643306.db2.gz OKKABFKMDOSKQA-AWEZNQCLSA-N 0 3 348.537 4.157 20 10 EICDHN CC[C@]1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000810242576 1048724836 /nfs/dbraw/zinc/72/48/36/1048724836.db2.gz DXUWTSQGWJEGCR-JLTOFOAXSA-N 0 3 329.415 4.060 20 10 EICDHN Cc1cc(Br)c(CN[C@@H](C)c2ccccc2O)s1 ZINC000845991483 1048774924 /nfs/dbraw/zinc/77/49/24/1048774924.db2.gz UVCAQMJOBLFXEG-JTQLQIEISA-N 0 3 326.259 4.375 20 10 EICDHN Cc1cc(Br)c(C[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000845991483 1048774938 /nfs/dbraw/zinc/77/49/38/1048774938.db2.gz UVCAQMJOBLFXEG-JTQLQIEISA-N 0 3 326.259 4.375 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846041749 1048804907 /nfs/dbraw/zinc/80/49/07/1048804907.db2.gz AQGPGDOZPMWNIT-JOCHJYFZSA-N 0 3 337.463 4.354 20 10 EICDHN COc1cccc([C@H](C)NCc2sccc2Br)c1O ZINC000846150022 1048823674 /nfs/dbraw/zinc/82/36/74/1048823674.db2.gz WJRSZUKYMSJHQM-VIFPVBQESA-N 0 3 342.258 4.076 20 10 EICDHN COC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000846170391 1048828010 /nfs/dbraw/zinc/82/80/10/1048828010.db2.gz KDHLJHZARYQKBM-MLGOLLRUSA-N 0 3 335.831 4.093 20 10 EICDHN COc1cccc([C@H](C)N[C@H](C)c2ccccc2OC(F)F)c1O ZINC000846135365 1048829395 /nfs/dbraw/zinc/82/93/95/1048829395.db2.gz CHSCGRXJACOPJM-NEPJUHHUSA-N 0 3 337.366 4.414 20 10 EICDHN COc1cccc([C@@H](C)N[C@H]2CCCOc3ccc(F)cc32)c1O ZINC000846141627 1048831051 /nfs/dbraw/zinc/83/10/51/1048831051.db2.gz LAMPGWRNGVRJGD-WBMJQRKESA-N 0 3 331.387 4.104 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)N[C@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846181923 1048836140 /nfs/dbraw/zinc/83/61/40/1048836140.db2.gz FXFDULFRWRPFIT-PRXAMGSTSA-N 0 3 337.822 4.266 20 10 EICDHN C[C@H]([NH2+][C@H]1CCc2ccc(Br)cc2C1)c1ccccc1[O-] ZINC001170855433 1048903382 /nfs/dbraw/zinc/90/33/82/1048903382.db2.gz ZBICCYDIBRYALX-LRDDRELGSA-N 0 3 346.268 4.363 20 10 EICDHN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CCO1 ZINC000817585784 1049016964 /nfs/dbraw/zinc/01/69/64/1049016964.db2.gz IAAKJRJCTANFHC-MRVWCRGKSA-N 0 3 342.277 4.071 20 10 EICDHN CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817966448 1049071745 /nfs/dbraw/zinc/07/17/45/1049071745.db2.gz OBQAIPLVTCPUCN-HOCLYGCPSA-N 0 3 331.287 4.129 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817985407 1049080133 /nfs/dbraw/zinc/08/01/33/1049080133.db2.gz JUQDYWVUTCYLPZ-IUODEOHRSA-N 0 3 343.298 4.414 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817985411 1049080829 /nfs/dbraw/zinc/08/08/29/1049080829.db2.gz JUQDYWVUTCYLPZ-WFASDCNBSA-N 0 3 343.298 4.414 20 10 EICDHN c1cc(N2CCCCC2)ccc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518411 1049102196 /nfs/dbraw/zinc/10/21/96/1049102196.db2.gz JPAHZSBVCAAWGC-NHCUHLMSSA-N 0 3 340.511 4.210 20 10 EICDHN CC[C@@H](N[C@H]1CCOc2c(OC)cccc21)c1ccc(N(C)C)cc1 ZINC000772984349 1049211203 /nfs/dbraw/zinc/21/12/03/1049211203.db2.gz DXRWSSSVFMYHHZ-MOPGFXCFSA-N 0 3 340.467 4.326 20 10 EICDHN CC[N@H+](Cc1ccc(Br)s1)Cc1ccccc1[O-] ZINC001137647127 1049276241 /nfs/dbraw/zinc/27/62/41/1049276241.db2.gz FTUBHTXAGKTSQI-UHFFFAOYSA-N 0 3 326.259 4.238 20 10 EICDHN CC[N@@H+](Cc1ccc(Br)s1)Cc1ccccc1[O-] ZINC001137647127 1049276249 /nfs/dbraw/zinc/27/62/49/1049276249.db2.gz FTUBHTXAGKTSQI-UHFFFAOYSA-N 0 3 326.259 4.238 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000812735922 1049556357 /nfs/dbraw/zinc/55/63/57/1049556357.db2.gz IEKANSBYKOVYMV-HZPDHXFCSA-N 0 3 328.431 4.017 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2cn(C)nc2C2CCCCC2)c1 ZINC000813331659 1049753394 /nfs/dbraw/zinc/75/33/94/1049753394.db2.gz QIXPMXCXCMCMJH-AWEZNQCLSA-N 0 3 343.471 4.033 20 10 EICDHN CCOCc1cc(CN[C@H](CC)c2ccccc2OC)ccc1OC ZINC000747854549 1049764189 /nfs/dbraw/zinc/76/41/89/1049764189.db2.gz NMRZCDGGDFYZNJ-LJQANCHMSA-N 0 3 343.467 4.481 20 10 EICDHN Cc1nnsc1CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000813790620 1049816110 /nfs/dbraw/zinc/81/61/10/1049816110.db2.gz WCFCMTWOJYAACV-UHFFFAOYSA-N 0 3 347.528 4.437 20 10 EICDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000180838631 1049953224 /nfs/dbraw/zinc/95/32/24/1049953224.db2.gz AUZCPNCJCBLDQO-SNVBAGLBSA-N 0 3 329.293 4.281 20 10 EICDHN CN(C)c1ccc(/C=C\CNCc2ccc(OC(C)(C)C)nc2)cc1 ZINC001178346790 1050441260 /nfs/dbraw/zinc/44/12/60/1050441260.db2.gz NFOHRAQLCUGBGX-SREVYHEPSA-N 0 3 339.483 4.128 20 10 EICDHN CCN(CC)c1ccc(CN[C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001179437748 1050691607 /nfs/dbraw/zinc/69/16/07/1050691607.db2.gz LUBHELBIOLNBCF-JOCHJYFZSA-N 0 3 348.494 4.260 20 10 EICDHN COc1ccc(CN2CC[C@H](C)C[C@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962788 1050849144 /nfs/dbraw/zinc/84/91/44/1050849144.db2.gz SJSRDQWUIDMKPD-BBRMVZONSA-N 0 3 345.439 4.284 20 10 EICDHN Cc1ccc([C@@H](C)C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC001180429502 1050985474 /nfs/dbraw/zinc/98/54/74/1050985474.db2.gz BOGQKDNCHNBDFC-GHTZIAJQSA-N 0 3 339.479 4.485 20 10 EICDHN Cc1ccc([C@@H](C)C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC001180429502 1050985487 /nfs/dbraw/zinc/98/54/87/1050985487.db2.gz BOGQKDNCHNBDFC-GHTZIAJQSA-N 0 3 339.479 4.485 20 10 EICDHN CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccn1 ZINC000183506462 1051137487 /nfs/dbraw/zinc/13/74/87/1051137487.db2.gz NFTOFERPBOKGCB-CVEARBPZSA-N 0 3 328.456 4.451 20 10 EICDHN CCCCn1cc(CNCc2ccc(N3CCCCC3)cc2)c(C)n1 ZINC000773409880 1051182560 /nfs/dbraw/zinc/18/25/60/1051182560.db2.gz OXZMWVTXXTUVMV-UHFFFAOYSA-N 0 3 340.515 4.272 20 10 EICDHN CC(C)CN1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774114788 1051458872 /nfs/dbraw/zinc/45/88/72/1051458872.db2.gz JITVYKUZNKTXOR-LBPRGKRZSA-N 0 3 345.314 4.470 20 10 EICDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1Cl ZINC000774483747 1051610468 /nfs/dbraw/zinc/61/04/68/1051610468.db2.gz LXGHNHVAAQCGMP-UONOGXRCSA-N 0 3 345.874 4.084 20 10 EICDHN CC[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1[O-] ZINC000775495983 1051619728 /nfs/dbraw/zinc/61/97/28/1051619728.db2.gz CTJWJMKZAITZFX-INIZCTEOSA-N 0 3 347.842 4.100 20 10 EICDHN CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1[O-] ZINC000775545237 1051804481 /nfs/dbraw/zinc/80/44/81/1051804481.db2.gz DHZVCQBTSBVTER-OAHLLOKOSA-N 0 3 334.803 4.237 20 10 EICDHN Cc1cnc(C2CC[NH+](Cc3cc(Cl)cc(C)c3[O-])CC2)s1 ZINC000763676248 1051909947 /nfs/dbraw/zinc/90/99/47/1051909947.db2.gz RNHMTKAPBZSGRG-UHFFFAOYSA-N 0 3 336.888 4.499 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccc(F)cc2)c1[O-] ZINC001184135145 1051951780 /nfs/dbraw/zinc/95/17/80/1051951780.db2.gz LLDPTERBJDMMSK-LLVKDONJSA-N 0 3 338.220 4.453 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cc(F)ccc1N(C)C ZINC001184418463 1052010454 /nfs/dbraw/zinc/01/04/54/1052010454.db2.gz PJILLGRGRUJRNL-HNNXBMFYSA-N 0 3 329.463 4.117 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c([O-])c1 ZINC000184857058 1052265488 /nfs/dbraw/zinc/26/54/88/1052265488.db2.gz COAWETYSVYZKDC-WMZOPIPTSA-N 0 3 328.456 4.171 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000184912116 1052295745 /nfs/dbraw/zinc/29/57/45/1052295745.db2.gz UWNJMZHQUJSRAN-LBPRGKRZSA-N 0 3 325.330 4.450 20 10 EICDHN CCOc1cc2c(cc1CN[C@H](C)c1cc(C)ccc1O)O[C@H](C)C2 ZINC000184897835 1052297945 /nfs/dbraw/zinc/29/79/45/1052297945.db2.gz OTJAVBWZXIBWCY-HUUCEWRRSA-N 0 3 341.451 4.274 20 10 EICDHN C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1cc(F)ccc1[O-] ZINC000185006661 1052359556 /nfs/dbraw/zinc/35/95/56/1052359556.db2.gz MIXBOEUASSLUFX-CYBMUJFWSA-N 0 3 330.403 4.099 20 10 EICDHN CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185045680 1052378661 /nfs/dbraw/zinc/37/86/61/1052378661.db2.gz ICPKBCKVQLCWGS-ZDUSSCGKSA-N 0 3 330.403 4.121 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]CCCCOCCc2ccccc2)c([O-])c1 ZINC000185072955 1052392469 /nfs/dbraw/zinc/39/24/69/1052392469.db2.gz RJDVMTRGNVYQLW-SFHVURJKSA-N 0 3 327.468 4.391 20 10 EICDHN C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1[O-] ZINC000185245886 1052549669 /nfs/dbraw/zinc/54/96/69/1052549669.db2.gz TWAJGBFQALPOCR-HUUCEWRRSA-N 0 3 348.487 4.156 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([O-])c1 ZINC000185658757 1052665962 /nfs/dbraw/zinc/66/59/62/1052665962.db2.gz OMMRERIDZPWGKA-HBFSDRIKSA-N 0 3 338.495 4.404 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000185658781 1052666039 /nfs/dbraw/zinc/66/60/39/1052666039.db2.gz HUFIPQAXUWCIJO-JTDSTZFVSA-N 0 3 342.458 4.235 20 10 EICDHN C[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1cc(F)ccc1[O-] ZINC000185721674 1052685564 /nfs/dbraw/zinc/68/55/64/1052685564.db2.gz VMPZDBZBJWEGEC-ZBEGNZNMSA-N 0 3 331.412 4.130 20 10 EICDHN COc1cc(C)cc(CNC2(c3nc(C)cs3)CCCC2)c1O ZINC000764122071 1053032093 /nfs/dbraw/zinc/03/20/93/1053032093.db2.gz SMGZMKBNQQSVFU-UHFFFAOYSA-N 0 3 332.469 4.033 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1Cl ZINC000775610309 1053090507 /nfs/dbraw/zinc/09/05/07/1053090507.db2.gz NPMYDRPZODHJIV-SFHVURJKSA-N 0 3 337.822 4.130 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cc1Cl ZINC000775610309 1053090521 /nfs/dbraw/zinc/09/05/21/1053090521.db2.gz NPMYDRPZODHJIV-SFHVURJKSA-N 0 3 337.822 4.130 20 10 EICDHN Cc1cc(Br)c(CNCc2cc(C)ccc2O)s1 ZINC000850381186 1053154385 /nfs/dbraw/zinc/15/43/85/1053154385.db2.gz WCYHZVPCLUOCFF-UHFFFAOYSA-N 0 3 326.259 4.123 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(C(F)F)nc1 ZINC000850430726 1053205647 /nfs/dbraw/zinc/20/56/47/1053205647.db2.gz OVMKBWFCWQJOJO-ZDUSSCGKSA-N 0 3 331.410 4.252 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cncc(Br)c1 ZINC000850437193 1053210057 /nfs/dbraw/zinc/21/00/57/1053210057.db2.gz ZYMPTUZDPGEUJI-CYBMUJFWSA-N 0 3 348.288 4.069 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850523276 1053282811 /nfs/dbraw/zinc/28/28/11/1053282811.db2.gz FCYFXQBBUKGZMX-ICSRJNTNSA-N 0 3 337.463 4.367 20 10 EICDHN CC[C@H]([NH2+]CCCn1c(C)nc2ccccc21)c1ccc(C)cc1[O-] ZINC000794794949 1053378896 /nfs/dbraw/zinc/37/88/96/1053378896.db2.gz NMKVWVKYFZZBJU-SFHVURJKSA-N 0 3 337.467 4.490 20 10 EICDHN CN(C)c1ccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000794797509 1053381522 /nfs/dbraw/zinc/38/15/22/1053381522.db2.gz ZIYHGKHZDHVBGO-NRFANRHFSA-N 0 3 346.478 4.106 20 10 EICDHN CCC(CC)C(=O)N1CCC([NH2+][C@@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000794797720 1053382399 /nfs/dbraw/zinc/38/23/99/1053382399.db2.gz QGGLVZHFELFSOW-IBGZPJMESA-N 0 3 346.515 4.169 20 10 EICDHN CC[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccc(C)cc1[O-] ZINC000794791878 1053386352 /nfs/dbraw/zinc/38/63/52/1053386352.db2.gz JVTIWUMJRJGCRQ-FQEVSTJZSA-N 0 3 335.451 4.186 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C)cc1[O-] ZINC000794793381 1053387125 /nfs/dbraw/zinc/38/71/25/1053387125.db2.gz BEEURHIOASLZQU-KBXCAEBGSA-N 0 3 338.451 4.387 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794804994 1053390910 /nfs/dbraw/zinc/39/09/10/1053390910.db2.gz OPICOQQPUCOLFX-RTBURBONSA-N 0 3 342.483 4.480 20 10 EICDHN CC[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794805669 1053409562 /nfs/dbraw/zinc/40/95/62/1053409562.db2.gz YKBSQEXBELIKPA-WOJBJXKFSA-N 0 3 349.478 4.459 20 10 EICDHN CC[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(C)cc1[O-] ZINC000794809649 1053415665 /nfs/dbraw/zinc/41/56/65/1053415665.db2.gz HGQQPTZCOMOWHW-INIZCTEOSA-N 0 3 341.430 4.010 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2cccnc21)C[C@H]1CCCO1 ZINC000109761568 1053420750 /nfs/dbraw/zinc/42/07/50/1053420750.db2.gz OPZIITWXJBFKSE-HXUWFJFHSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc2cccnc21)C[C@H]1CCCO1 ZINC000109761568 1053420754 /nfs/dbraw/zinc/42/07/54/1053420754.db2.gz OPZIITWXJBFKSE-HXUWFJFHSA-N 0 3 348.446 4.122 20 10 EICDHN CC[C@H]([NH2+]CCc1c[nH]c2ccc(OC)cc12)c1ccc(C)cc1[O-] ZINC000794811837 1053429209 /nfs/dbraw/zinc/42/92/09/1053429209.db2.gz ZCJWRVCGHUHCCR-IBGZPJMESA-N 0 3 338.451 4.474 20 10 EICDHN COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000794824633 1053429373 /nfs/dbraw/zinc/42/93/73/1053429373.db2.gz KTCNGOOSMJLYJW-MJGOQNOKSA-N 0 3 327.468 4.389 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccc(C)cc1[O-] ZINC000794820223 1053436082 /nfs/dbraw/zinc/43/60/82/1053436082.db2.gz ZFUFMIXCZDVWMP-WBVHZDCISA-N 0 3 337.822 4.267 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(C)cc1[O-] ZINC000794828978 1053440275 /nfs/dbraw/zinc/44/02/75/1053440275.db2.gz QCOSDNPEYOAHEQ-FUHWJXTLSA-N 0 3 337.822 4.267 20 10 EICDHN Cc1cccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)c1O ZINC000775665913 1053440901 /nfs/dbraw/zinc/44/09/01/1053440901.db2.gz NKYPFFMWLPFECP-LJQANCHMSA-N 0 3 329.415 4.021 20 10 EICDHN CCOc1cccc(CN(Cc2cccs2)C[C@H]2CCCO2)c1O ZINC000120532667 1053492849 /nfs/dbraw/zinc/49/28/49/1053492849.db2.gz BWXGIKVELSAQNT-MRXNPFEDSA-N 0 3 347.480 4.034 20 10 EICDHN CC(C)(C)c1csc(CNCCCSc2nccs2)n1 ZINC000865469343 1053516481 /nfs/dbraw/zinc/51/64/81/1053516481.db2.gz UKJJWOLXXURBBF-UHFFFAOYSA-N 0 3 327.544 4.169 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(F)cc1N(C)C ZINC000765483041 1053568042 /nfs/dbraw/zinc/56/80/42/1053568042.db2.gz XDUDUEMJIKOKSF-OAHLLOKOSA-N 0 3 341.474 4.125 20 10 EICDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1[O-] ZINC000775693211 1053612146 /nfs/dbraw/zinc/61/21/46/1053612146.db2.gz WGAVLANLGWKUFY-GFCCVEGCSA-N 0 3 336.229 4.046 20 10 EICDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1[O-] ZINC000775693211 1053612152 /nfs/dbraw/zinc/61/21/52/1053612152.db2.gz WGAVLANLGWKUFY-GFCCVEGCSA-N 0 3 336.229 4.046 20 10 EICDHN COc1ccccc1C1([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000842902086 1053627856 /nfs/dbraw/zinc/62/78/56/1053627856.db2.gz LVWLHBMUAWQVIB-IUODEOHRSA-N 0 3 327.399 4.367 20 10 EICDHN COc1ccccc1C1(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000842902086 1053627863 /nfs/dbraw/zinc/62/78/63/1053627863.db2.gz LVWLHBMUAWQVIB-IUODEOHRSA-N 0 3 327.399 4.367 20 10 EICDHN CCN(C)c1ccc([C@H](C)NCc2cnccc2C(F)(F)F)cc1 ZINC000853243173 1053658952 /nfs/dbraw/zinc/65/89/52/1053658952.db2.gz YMPINNHYTLUHCR-ZDUSSCGKSA-N 0 3 337.389 4.407 20 10 EICDHN CC(C)[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccccn1 ZINC000866238415 1053661170 /nfs/dbraw/zinc/66/11/70/1053661170.db2.gz NIZJNTJBGBKLCT-FQEVSTJZSA-N 0 3 341.524 4.122 20 10 EICDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc2[nH]c(=O)oc2c1 ZINC000866486145 1053748857 /nfs/dbraw/zinc/74/88/57/1053748857.db2.gz ZPDXMLPGVUYMQX-BFVZDQMLSA-N 0 3 342.370 4.277 20 10 EICDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)c1ccnn1C ZINC000866612313 1053804773 /nfs/dbraw/zinc/80/47/73/1053804773.db2.gz GSCHFNFQVMYGHQ-DLBZAZTESA-N 0 3 326.488 4.212 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1[O-] ZINC000765679898 1053836051 /nfs/dbraw/zinc/83/60/51/1053836051.db2.gz IEMOUKAQPQQCRC-KRWDZBQOSA-N 0 3 340.250 4.005 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000857060602 1054169306 /nfs/dbraw/zinc/16/93/06/1054169306.db2.gz VBJLMNONMPSGGV-MRXNPFEDSA-N 0 3 333.378 4.106 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1[O-] ZINC000857082450 1054173899 /nfs/dbraw/zinc/17/38/99/1054173899.db2.gz VOGSFTVMRKALOM-VHSXEESVSA-N 0 3 334.204 4.159 20 10 EICDHN Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)c1[O-] ZINC000160962210 1054323846 /nfs/dbraw/zinc/32/38/46/1054323846.db2.gz VVSQRKRRCHLKEA-NHYWBVRUSA-N 0 3 326.278 4.474 20 10 EICDHN Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)c1[O-] ZINC000160962210 1054323862 /nfs/dbraw/zinc/32/38/62/1054323862.db2.gz VVSQRKRRCHLKEA-NHYWBVRUSA-N 0 3 326.278 4.474 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cccc(OC(F)F)c1 ZINC001199275497 1054386515 /nfs/dbraw/zinc/38/65/15/1054386515.db2.gz JRVDZELAVXTWNK-CYBMUJFWSA-N 0 3 333.378 4.464 20 10 EICDHN Cc1cnc(CCN(Cc2ccco2)Cc2ccccc2O)c(C)c1 ZINC000828062149 1054419054 /nfs/dbraw/zinc/41/90/54/1054419054.db2.gz CESHDLCCJGAGDE-UHFFFAOYSA-N 0 3 336.435 4.242 20 10 EICDHN Cc1cnc(CC[N@H+](Cc2ccco2)Cc2ccccc2[O-])c(C)c1 ZINC000828062149 1054419068 /nfs/dbraw/zinc/41/90/68/1054419068.db2.gz CESHDLCCJGAGDE-UHFFFAOYSA-N 0 3 336.435 4.242 20 10 EICDHN Cc1cnc(CC[N@@H+](Cc2ccco2)Cc2ccccc2[O-])c(C)c1 ZINC000828062149 1054419071 /nfs/dbraw/zinc/41/90/71/1054419071.db2.gz CESHDLCCJGAGDE-UHFFFAOYSA-N 0 3 336.435 4.242 20 10 EICDHN COC(=O)/C(C)=C\CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776012070 1054445825 /nfs/dbraw/zinc/44/58/25/1054445825.db2.gz XUPRCAOSUFBHGT-NOCRFKNCSA-N 0 3 339.435 4.075 20 10 EICDHN Cc1ncccc1CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000858273996 1054453398 /nfs/dbraw/zinc/45/33/98/1054453398.db2.gz KAJROPKAFPXZIV-UHFFFAOYSA-N 0 3 337.492 4.378 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1[O-] ZINC000776042062 1054506255 /nfs/dbraw/zinc/50/62/55/1054506255.db2.gz OLKRNUUBZXESJN-MRXNPFEDSA-N 0 3 335.806 4.497 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000858548950 1054515532 /nfs/dbraw/zinc/51/55/32/1054515532.db2.gz XRELNDZBCFCUMR-VCOUNFBDSA-N 0 3 337.463 4.223 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)c2ccccc2)c1[O-] ZINC000776061112 1054520340 /nfs/dbraw/zinc/52/03/40/1054520340.db2.gz AIGVRLCTAMGTBE-UHFFFAOYSA-N 0 3 334.257 4.488 20 10 EICDHN COc1ccc2oc(CNCc3ccc4c(c3)CCCN4C)cc2c1 ZINC000124581249 1054564352 /nfs/dbraw/zinc/56/43/52/1054564352.db2.gz CMKWRCGSOKLBRU-UHFFFAOYSA-N 0 3 336.435 4.114 20 10 EICDHN CCN1CCN(c2ccc(Nc3ccc(NC(C)C)cc3)cc2)CC1 ZINC001201498351 1054820182 /nfs/dbraw/zinc/82/01/82/1054820182.db2.gz VFQHJBJPISZRLN-UHFFFAOYSA-N 0 3 338.499 4.392 20 10 EICDHN Cc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c(O)c1 ZINC000876752596 1054956766 /nfs/dbraw/zinc/95/67/66/1054956766.db2.gz UFQQIEBBXQKHMG-UHFFFAOYSA-N 0 3 327.268 4.017 20 10 EICDHN C[C@@H](CCO)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000776258136 1055079559 /nfs/dbraw/zinc/07/95/59/1055079559.db2.gz SODNFTBIUVGUDY-KRWDZBQOSA-N 0 3 339.479 4.338 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1[O-] ZINC000862538767 1055080990 /nfs/dbraw/zinc/08/09/90/1055080990.db2.gz FKJNUPASJUQDGW-HNNXBMFYSA-N 0 3 338.234 4.485 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1cccc(CO)c1 ZINC000776264532 1055101667 /nfs/dbraw/zinc/10/16/67/1055101667.db2.gz JLJBYSVOLHSXSF-QFIPXVFZSA-N 0 3 347.458 4.348 20 10 EICDHN C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccccc1[O-] ZINC000877757380 1055114137 /nfs/dbraw/zinc/11/41/37/1055114137.db2.gz VPFPHJSJWHHUBN-ZDUSSCGKSA-N 0 3 330.453 4.017 20 10 EICDHN C[C@@H](NCc1cccc(F)c1OCC(F)(F)F)c1ccccc1O ZINC000877755653 1055114544 /nfs/dbraw/zinc/11/45/44/1055114544.db2.gz JYQCZVFCULOIOS-LLVKDONJSA-N 0 3 343.320 4.323 20 10 EICDHN C[C@@H]([NH2+]Cc1cccc(F)c1OCC(F)(F)F)c1ccccc1[O-] ZINC000877755653 1055114559 /nfs/dbraw/zinc/11/45/59/1055114559.db2.gz JYQCZVFCULOIOS-LLVKDONJSA-N 0 3 343.320 4.323 20 10 EICDHN CC[C@H](C)Oc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1OC ZINC000877757415 1055114646 /nfs/dbraw/zinc/11/46/46/1055114646.db2.gz ZLBDMYRQOPJHAT-GJZGRUSLSA-N 0 3 329.440 4.429 20 10 EICDHN Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(Cl)c1 ZINC000877756573 1055114995 /nfs/dbraw/zinc/11/49/95/1055114995.db2.gz UHHLGDTZZKKGAH-UONOGXRCSA-N 0 3 346.858 4.422 20 10 EICDHN Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758226 1055116358 /nfs/dbraw/zinc/11/63/58/1055116358.db2.gz OBVJHRMEODOAFK-NSHDSACASA-N 0 3 327.453 4.138 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1[O-] ZINC000877761426 1055117358 /nfs/dbraw/zinc/11/73/58/1055117358.db2.gz WMCHBJZKVVIKNC-VXGBXAGGSA-N 0 3 335.753 4.041 20 10 EICDHN CC[C@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1cnn(C)c1 ZINC000119345168 1055164222 /nfs/dbraw/zinc/16/42/22/1055164222.db2.gz JMKYFCWATUGWEK-NRFANRHFSA-N 0 3 340.515 4.430 20 10 EICDHN CCCOc1ccc(CN[C@H](CC)c2ccc(N(C)C)cc2)cn1 ZINC000765861866 1056022827 /nfs/dbraw/zinc/02/28/27/1056022827.db2.gz SSSGJLSFFNCDMD-LJQANCHMSA-N 0 3 327.472 4.177 20 10 EICDHN C[C@@H](NCCCSc1nccs1)c1nc2c(s1)CCCC2 ZINC000091726499 1056750458 /nfs/dbraw/zinc/75/04/58/1056750458.db2.gz JQVDQRZNFMQDOU-LLVKDONJSA-N 0 3 339.555 4.311 20 10 EICDHN CCc1cnc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])s1 ZINC000742385354 1058588007 /nfs/dbraw/zinc/58/80/07/1058588007.db2.gz XOHCIADMQSQVFN-UHFFFAOYSA-N 0 3 338.476 4.410 20 10 EICDHN Cc1cc(CNCc2ccc3c(c2)OCCO3)c(C)n1-c1ccccc1 ZINC000743629657 1059069258 /nfs/dbraw/zinc/06/92/58/1059069258.db2.gz YDJBFEAIBBXHPX-UHFFFAOYSA-N 0 3 348.446 4.155 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000743869808 1059187854 /nfs/dbraw/zinc/18/78/54/1059187854.db2.gz AUBIASUQPSJPGK-KRWDZBQOSA-N 0 3 346.515 4.174 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000743869808 1059187879 /nfs/dbraw/zinc/18/78/79/1059187879.db2.gz AUBIASUQPSJPGK-KRWDZBQOSA-N 0 3 346.515 4.174 20 10 EICDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000743870392 1059193545 /nfs/dbraw/zinc/19/35/45/1059193545.db2.gz QCTJUMHXEGYGIU-KRWDZBQOSA-N 0 3 340.467 4.046 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000743870392 1059193564 /nfs/dbraw/zinc/19/35/64/1059193564.db2.gz QCTJUMHXEGYGIU-KRWDZBQOSA-N 0 3 340.467 4.046 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000743870392 1059193587 /nfs/dbraw/zinc/19/35/87/1059193587.db2.gz QCTJUMHXEGYGIU-KRWDZBQOSA-N 0 3 340.467 4.046 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1CCCO1 ZINC000529516338 1032414464 /nfs/dbraw/zinc/41/44/64/1032414464.db2.gz IRQVCEVDBZBSRZ-IBGZPJMESA-N 0 3 336.435 4.055 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1CCCO1 ZINC000529516338 1032414470 /nfs/dbraw/zinc/41/44/70/1032414470.db2.gz IRQVCEVDBZBSRZ-IBGZPJMESA-N 0 3 336.435 4.055 20 10 EICDHN CC[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1[O-] ZINC000274748241 1019166815 /nfs/dbraw/zinc/16/68/15/1019166815.db2.gz GXPVXEATLXPZHP-BIXGBWIQSA-N 0 3 325.452 4.263 20 10 EICDHN CC[C@H]([NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000382435582 1019267539 /nfs/dbraw/zinc/26/75/39/1019267539.db2.gz VNCVOOCFSMGMES-ZOBUZTSGSA-N 0 3 348.487 4.126 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1[O-] ZINC000310661572 1021496028 /nfs/dbraw/zinc/49/60/28/1021496028.db2.gz ZIBKHRVTOSEILF-ZOBUZTSGSA-N 0 3 348.487 4.221 20 10 EICDHN CCOc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c([O-])c1 ZINC000725850044 1021978980 /nfs/dbraw/zinc/97/89/80/1021978980.db2.gz GRIOBGLCYAQDMT-UHFFFAOYSA-N 0 3 344.842 4.258 20 10 EICDHN CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(C)cc1[O-] ZINC000279947556 1033023089 /nfs/dbraw/zinc/02/30/89/1033023089.db2.gz BNMMPZOIDHGMGX-IBGZPJMESA-N 0 3 335.451 4.342 20 10 EICDHN Cc1cc(C[N@@H+](C)Cc2ccccc2[O-])cc(OC(F)(F)F)c1 ZINC001143468925 1022384167 /nfs/dbraw/zinc/38/41/67/1022384167.db2.gz NNWBEDOPRQQOEL-UHFFFAOYSA-N 0 3 325.330 4.231 20 10 EICDHN Cc1cc(C[N@H+](C)Cc2ccccc2[O-])cc(OC(F)(F)F)c1 ZINC001143468925 1022384180 /nfs/dbraw/zinc/38/41/80/1022384180.db2.gz NNWBEDOPRQQOEL-UHFFFAOYSA-N 0 3 325.330 4.231 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C)[C@@H]2c2cccs2)c([O-])c1 ZINC000363859308 1022861698 /nfs/dbraw/zinc/86/16/98/1022861698.db2.gz FKKHRLIQFXSOSJ-KHYOSLBOSA-N 0 3 330.497 4.106 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c([O-])c1 ZINC000185157188 1023014327 /nfs/dbraw/zinc/01/43/27/1023014327.db2.gz YTONRFSRJHZMPU-JKSUJKDBSA-N 0 3 338.451 4.239 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(C)cc1OCCCOC)c1ccccc1[O-] ZINC000156310500 1023459707 /nfs/dbraw/zinc/45/97/07/1023459707.db2.gz YTCUSRXWJZLILH-IBGZPJMESA-N 0 3 343.467 4.357 20 10 EICDHN C[C@@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992631 1023498427 /nfs/dbraw/zinc/49/84/27/1023498427.db2.gz IAMQMNPBVICZFM-IIBYNOLFSA-N 0 3 342.458 4.094 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178684613 1027509526 /nfs/dbraw/zinc/50/95/26/1027509526.db2.gz MGCXCLWRRFMGSE-GJZGRUSLSA-N 0 3 327.428 4.463 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000382461036 1027665587 /nfs/dbraw/zinc/66/55/87/1027665587.db2.gz WAWXMNRBQUQROZ-JYJNAYRXSA-N 0 3 348.487 4.045 20 10 EICDHN CC[C@@H]([NH2+]Cc1sccc1Br)c1ccccc1[O-] ZINC000148049432 1027862168 /nfs/dbraw/zinc/86/21/68/1027862168.db2.gz FTVPYJGNFLAJSC-GFCCVEGCSA-N 0 3 326.259 4.457 20 10 EICDHN Fc1cncc([C@H](NCc2ccc(N3CCCC3)cc2)C2CC2)c1 ZINC000281305430 1028500958 /nfs/dbraw/zinc/50/09/58/1028500958.db2.gz RNZHTAWUORFRED-HXUWFJFHSA-N 0 3 325.431 4.062 20 10 EICDHN CCN(C)c1ccc([C@H](C)NCc2ccc3c(c2)OCCCO3)cc1 ZINC000161843258 1029070585 /nfs/dbraw/zinc/07/05/85/1029070585.db2.gz MTQVVSUEOBUGNT-INIZCTEOSA-N 0 3 340.467 4.155 20 10 EICDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])nc1C ZINC000840783680 1029280538 /nfs/dbraw/zinc/28/05/38/1029280538.db2.gz MDMYDOCCNBLJBV-ZDUSSCGKSA-N 0 3 349.272 4.326 20 10 EICDHN Cc1ccc(CN[C@@H](C)c2cc(Br)cc(C)c2O)nc1C ZINC000840783680 1029280553 /nfs/dbraw/zinc/28/05/53/1029280553.db2.gz MDMYDOCCNBLJBV-ZDUSSCGKSA-N 0 3 349.272 4.326 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCc3cccnc32)c1[O-] ZINC000897072016 1029341820 /nfs/dbraw/zinc/34/18/20/1029341820.db2.gz SMONOBHYZDGMSI-OAHLLOKOSA-N 0 3 347.256 4.025 20 10 EICDHN COCC[C@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000840835833 1029530277 /nfs/dbraw/zinc/53/02/77/1029530277.db2.gz QZNZUACSDGZCBP-PXNSSMCTSA-N 0 3 327.468 4.328 20 10 EICDHN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1F ZINC000185135003 1030117290 /nfs/dbraw/zinc/11/72/90/1030117290.db2.gz ZCZUXGDQLPKVGQ-GFCCVEGCSA-N 0 3 343.377 4.015 20 10 EICDHN COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)OC)c1 ZINC000527923440 1030919459 /nfs/dbraw/zinc/91/94/59/1030919459.db2.gz DBCQCTXPDVVGRG-XZOAIXRZSA-N 0 3 345.414 4.066 20 10 EICDHN CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000310051352 1030998672 /nfs/dbraw/zinc/99/86/72/1030998672.db2.gz IZXHHFHKVOZFAN-HUUCEWRRSA-N 0 3 336.476 4.126 20 10 EICDHN COc1ccc([C@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)C2CC2)cn1 ZINC000528043647 1031060986 /nfs/dbraw/zinc/06/09/86/1031060986.db2.gz OZTVDKODSXACIJ-BGFJZZDESA-N 0 3 342.414 4.224 20 10 EICDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H]1C ZINC001168243461 1031426390 /nfs/dbraw/zinc/42/63/90/1031426390.db2.gz DZVUYNSMNUHCGL-LNLFQRSKSA-N 0 3 325.452 4.380 20 10 EICDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H]1C ZINC001168243461 1031426395 /nfs/dbraw/zinc/42/63/95/1031426395.db2.gz DZVUYNSMNUHCGL-LNLFQRSKSA-N 0 3 325.452 4.380 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(C)cc1[O-] ZINC000280058462 1035139110 /nfs/dbraw/zinc/13/91/10/1035139110.db2.gz KEQXWWSWLCJCJJ-IGMHASDESA-N 0 3 331.481 4.240 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccc(C)cc1[O-] ZINC000280044444 1035144082 /nfs/dbraw/zinc/14/40/82/1035144082.db2.gz JFBJDNWGVNAATQ-HXUWFJFHSA-N 0 3 335.451 4.186 20 10 EICDHN CC[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccc(C)cc1[O-] ZINC000280263992 1035214704 /nfs/dbraw/zinc/21/47/04/1035214704.db2.gz XKLSLSYCEFVCNJ-IBGZPJMESA-N 0 3 338.451 4.068 20 10 EICDHN COc1cc(Cl)cc(CN2CCCO[C@H](c3ccccc3)C2)c1O ZINC000761193422 1036006087 /nfs/dbraw/zinc/00/60/87/1036006087.db2.gz BLDGATHFOQCRMZ-SFHVURJKSA-N 0 3 347.842 4.018 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1[O-] ZINC000761193422 1036006107 /nfs/dbraw/zinc/00/61/07/1036006107.db2.gz BLDGATHFOQCRMZ-SFHVURJKSA-N 0 3 347.842 4.018 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1[O-] ZINC000761193422 1036006123 /nfs/dbraw/zinc/00/61/23/1036006123.db2.gz BLDGATHFOQCRMZ-SFHVURJKSA-N 0 3 347.842 4.018 20 10 EICDHN COc1ccc([C@H]2CC[N@H+](Cc3cc(Cl)cc(OC)c3[O-])C2)cc1 ZINC000761196029 1036022249 /nfs/dbraw/zinc/02/22/49/1036022249.db2.gz SMPPGWBWPNPEEC-AWEZNQCLSA-N 0 3 347.842 4.052 20 10 EICDHN COc1ccc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(OC)c3[O-])C2)cc1 ZINC000761196029 1036022263 /nfs/dbraw/zinc/02/22/63/1036022263.db2.gz SMPPGWBWPNPEEC-AWEZNQCLSA-N 0 3 347.842 4.052 20 10 EICDHN Cc1cccc([C@@H]2CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)n1 ZINC000164874119 1036426624 /nfs/dbraw/zinc/42/66/24/1036426624.db2.gz MJGPESYAAKJZOS-SFHVURJKSA-N 0 3 340.467 4.436 20 10 EICDHN CC[C@@H](NCc1cccc(OC)c1OC)c1ccc(N(C)C)cc1 ZINC000165961222 1037029229 /nfs/dbraw/zinc/02/92/29/1037029229.db2.gz LFIBPXRNZAGHSW-GOSISDBHSA-N 0 3 328.456 4.011 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000273468787 1037473812 /nfs/dbraw/zinc/47/38/12/1037473812.db2.gz ROQQTGKKWAJHNM-NQYLQCIDSA-N 0 3 329.415 4.411 20 10 EICDHN CC[C@H](Nc1ccccc1N1CCN(CC)CC1)c1ccccc1O ZINC000157484712 1037593516 /nfs/dbraw/zinc/59/35/16/1037593516.db2.gz WAENHQVSGVJOSK-SFHVURJKSA-N 0 3 339.483 4.097 20 10 EICDHN C[C@H](NCc1nn(C)c2ccccc12)c1cc2c(cc1O)CCCC2 ZINC000760896065 1037647966 /nfs/dbraw/zinc/64/79/66/1037647966.db2.gz CWHVMVRUQLTKIY-AWEZNQCLSA-N 0 3 335.451 4.009 20 10 EICDHN Fc1ccc2c(c1)[C@@H](NCc1ccc(N3CCSCC3)cc1)CC2 ZINC000163611757 1038004823 /nfs/dbraw/zinc/00/48/23/1038004823.db2.gz FVXYMULWSGDDJA-FQEVSTJZSA-N 0 3 342.483 4.156 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3cccs3)CC2)c([O-])c1 ZINC000366672385 1041834519 /nfs/dbraw/zinc/83/45/19/1041834519.db2.gz BIJYTFQBAAATEF-HNNXBMFYSA-N 0 3 330.497 4.077 20 10 EICDHN CCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1[O-] ZINC000761504918 1042874103 /nfs/dbraw/zinc/87/41/03/1042874103.db2.gz APOPQDGELQYEBY-UHFFFAOYSA-N 0 3 334.803 4.366 20 10 EICDHN CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1[O-] ZINC000761504918 1042874107 /nfs/dbraw/zinc/87/41/07/1042874107.db2.gz APOPQDGELQYEBY-UHFFFAOYSA-N 0 3 334.803 4.366 20 10 EICDHN Cc1cc(N(C)C)ccc1CNCc1cnc(-c2ccco2)s1 ZINC000785470300 1043205645 /nfs/dbraw/zinc/20/56/45/1043205645.db2.gz MSJFYWZEAVUTLY-UHFFFAOYSA-N 0 3 327.453 4.067 20 10 EICDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC(C)(C)C ZINC000163639280 1043254623 /nfs/dbraw/zinc/25/46/23/1043254623.db2.gz WEAKCTVFOOTOHU-DLBZAZTESA-N 0 3 345.531 4.021 20 10 EICDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(C)s1 ZINC000732202641 1043887874 /nfs/dbraw/zinc/88/78/74/1043887874.db2.gz AFQIRIXNBBVGQM-SFHVURJKSA-N 0 3 331.481 4.252 20 10 EICDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(C)s1 ZINC000732202641 1043887876 /nfs/dbraw/zinc/88/78/76/1043887876.db2.gz AFQIRIXNBBVGQM-SFHVURJKSA-N 0 3 331.481 4.252 20 10 EICDHN COC(=O)c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)oc1C ZINC000732204278 1043887951 /nfs/dbraw/zinc/88/79/51/1043887951.db2.gz HOWFVJJPXHSWTH-UHFFFAOYSA-N 0 3 343.423 4.025 20 10 EICDHN COC(=O)c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)oc1C ZINC000732204278 1043887953 /nfs/dbraw/zinc/88/79/53/1043887953.db2.gz HOWFVJJPXHSWTH-UHFFFAOYSA-N 0 3 343.423 4.025 20 10 EICDHN COc1ccc(N2CCC(N[C@@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000732919291 1044035045 /nfs/dbraw/zinc/03/50/45/1044035045.db2.gz AFXXWUKNJPWODK-AWEZNQCLSA-N 0 3 346.421 4.293 20 10 EICDHN COc1cccc(CN(C)Cc2cc(C(C)(C)C)cc(O)c2O)c1 ZINC000915805716 1045469793 /nfs/dbraw/zinc/46/97/93/1045469793.db2.gz WZTADQZDSZEANE-UHFFFAOYSA-N 0 3 329.440 4.036 20 10 EICDHN Cc1cccc([C@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000767928873 1045684855 /nfs/dbraw/zinc/68/48/55/1045684855.db2.gz XYSPTZBSPVJRRE-JOCHJYFZSA-N 0 3 333.431 4.191 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1nccc2ccccc21)C[C@H]1CCCO1 ZINC000768161575 1045730076 /nfs/dbraw/zinc/73/00/76/1045730076.db2.gz HEKITJQOXPPKIR-LJQANCHMSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1nccc2ccccc21)C[C@H]1CCCO1 ZINC000768161575 1045730085 /nfs/dbraw/zinc/73/00/85/1045730085.db2.gz HEKITJQOXPPKIR-LJQANCHMSA-N 0 3 348.446 4.122 20 10 EICDHN CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2OC)cc1 ZINC000768199113 1045738745 /nfs/dbraw/zinc/73/87/45/1045738745.db2.gz AMGWDHKBURHQSF-SFHVURJKSA-N 0 3 327.424 4.137 20 10 EICDHN CCOc1ccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2OC)cc1 ZINC000768199113 1045738752 /nfs/dbraw/zinc/73/87/52/1045738752.db2.gz AMGWDHKBURHQSF-SFHVURJKSA-N 0 3 327.424 4.137 20 10 EICDHN CCOc1ccc(CN2CCSC[C@@H]2c2ccccc2)c(O)c1 ZINC000768249653 1045762308 /nfs/dbraw/zinc/76/23/08/1045762308.db2.gz YEBHHZYKYMWAGL-GOSISDBHSA-N 0 3 329.465 4.081 20 10 EICDHN CCOc1cccc(C[N@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)c1[O-] ZINC000768249287 1045762480 /nfs/dbraw/zinc/76/24/80/1045762480.db2.gz QJWDPNLUGDSZLG-INIZCTEOSA-N 0 3 343.467 4.253 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c([O-])c1 ZINC000768249653 1045762332 /nfs/dbraw/zinc/76/23/32/1045762332.db2.gz YEBHHZYKYMWAGL-GOSISDBHSA-N 0 3 329.465 4.081 20 10 EICDHN CCOc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c([O-])c1 ZINC000768249653 1045762354 /nfs/dbraw/zinc/76/23/54/1045762354.db2.gz YEBHHZYKYMWAGL-GOSISDBHSA-N 0 3 329.465 4.081 20 10 EICDHN CCOc1cccc(C[N@@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)c1[O-] ZINC000768249287 1045762489 /nfs/dbraw/zinc/76/24/89/1045762489.db2.gz QJWDPNLUGDSZLG-INIZCTEOSA-N 0 3 343.467 4.253 20 10 EICDHN COc1cc(O)c(CN2C[C@H](C)C[C@H]2c2ccccc2F)cc1OC ZINC000768464832 1045810655 /nfs/dbraw/zinc/81/06/55/1045810655.db2.gz BCLSYIHIOJFAIW-DYVFJYSZSA-N 0 3 345.414 4.132 20 10 EICDHN CC[C@@H]1c2ccsc2CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000768824715 1045847369 /nfs/dbraw/zinc/84/73/69/1045847369.db2.gz GPRLLTMDATXYBP-LJQANCHMSA-N 0 3 342.508 4.094 20 10 EICDHN COc1cccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1[O-] ZINC000769212749 1045896440 /nfs/dbraw/zinc/89/64/40/1045896440.db2.gz RJZSRGOSDUUKMV-WIYYLYMNSA-N 0 3 341.451 4.001 20 10 EICDHN COc1cccc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1[O-] ZINC000769212749 1045896442 /nfs/dbraw/zinc/89/64/42/1045896442.db2.gz RJZSRGOSDUUKMV-WIYYLYMNSA-N 0 3 341.451 4.001 20 10 EICDHN C[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCN(Cc2ccccc2)CC1 ZINC000769329895 1045924564 /nfs/dbraw/zinc/92/45/64/1045924564.db2.gz WDWJMJXCNNVVPL-UHFFFAOYSA-N 0 3 344.886 4.142 20 10 EICDHN C[N@H+](Cc1cc(Cl)ccc1[O-])C1CCN(Cc2ccccc2)CC1 ZINC000769329895 1045924552 /nfs/dbraw/zinc/92/45/52/1045924552.db2.gz WDWJMJXCNNVVPL-UHFFFAOYSA-N 0 3 344.886 4.142 20 10 EICDHN CCOc1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1O ZINC000769383617 1045942808 /nfs/dbraw/zinc/94/28/08/1045942808.db2.gz FFVCCCCZBQSZHG-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN CCOc1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1O ZINC000769383617 1045942811 /nfs/dbraw/zinc/94/28/11/1045942811.db2.gz FFVCCCCZBQSZHG-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN CCOc1ccc(CN(C)[C@@H](C)c2sc(CC)nc2C)c(O)c1 ZINC000769470358 1045987248 /nfs/dbraw/zinc/98/72/48/1045987248.db2.gz LOAFLMSBPBNNRI-ZDUSSCGKSA-N 0 3 334.485 4.311 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@@H](C)c2sc(CC)nc2C)c([O-])c1 ZINC000769470358 1045987219 /nfs/dbraw/zinc/98/72/19/1045987219.db2.gz LOAFLMSBPBNNRI-ZDUSSCGKSA-N 0 3 334.485 4.311 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)c2sc(CC)nc2C)c([O-])c1 ZINC000769470358 1045987233 /nfs/dbraw/zinc/98/72/33/1045987233.db2.gz LOAFLMSBPBNNRI-ZDUSSCGKSA-N 0 3 334.485 4.311 20 10 EICDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000769493297 1045995266 /nfs/dbraw/zinc/99/52/66/1045995266.db2.gz SMNDVCJAVUOGJX-GOSISDBHSA-N 0 3 339.435 4.028 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000769493297 1045995250 /nfs/dbraw/zinc/99/52/50/1045995250.db2.gz SMNDVCJAVUOGJX-GOSISDBHSA-N 0 3 339.435 4.028 20 10 EICDHN COc1ccsc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769962753 1046109966 /nfs/dbraw/zinc/10/99/66/1046109966.db2.gz QGAVIEGABCSCKU-HUUCEWRRSA-N 0 3 346.496 4.005 20 10 EICDHN CC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccncc1 ZINC000792991818 1046121485 /nfs/dbraw/zinc/12/14/85/1046121485.db2.gz JZHDQQLDTKJEOK-QGZVFWFLSA-N 0 3 337.389 4.407 20 10 EICDHN C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1cc(F)ccc1[O-] ZINC000769984087 1046122439 /nfs/dbraw/zinc/12/24/39/1046122439.db2.gz CRKGWRMMBWPFIP-GFCCVEGCSA-N 0 3 330.378 4.055 20 10 EICDHN Cc1cscc1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000793189907 1046167462 /nfs/dbraw/zinc/16/74/62/1046167462.db2.gz VHQFCQDHQVLWAU-UHFFFAOYSA-N 0 3 328.403 4.431 20 10 EICDHN COc1cccc(C=C2CCN(Cc3cccc(OC)c3O)CC2)c1 ZINC000770356003 1046190154 /nfs/dbraw/zinc/19/01/54/1046190154.db2.gz XACYKEZVCAXVKF-UHFFFAOYSA-N 0 3 339.435 4.089 20 10 EICDHN COc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)c([O-])c1 ZINC000793388531 1046232209 /nfs/dbraw/zinc/23/22/09/1046232209.db2.gz FRLVYXQVTMOYCP-DDTOSNHZSA-N 0 3 337.872 4.398 20 10 EICDHN CCc1cccc(CNCc2sccc2Br)c1O ZINC000691502091 1046410200 /nfs/dbraw/zinc/41/02/00/1046410200.db2.gz ZJBPFYPBPYZUAM-UHFFFAOYSA-N 0 3 326.259 4.068 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)c([O-])c1 ZINC000785578961 1046722300 /nfs/dbraw/zinc/72/23/00/1046722300.db2.gz CTGMGJQOJQCKJK-FIKGOQFSSA-N 0 3 326.484 4.351 20 10 EICDHN Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-])N(C)C ZINC000785574120 1046723517 /nfs/dbraw/zinc/72/35/17/1046723517.db2.gz YJGMFWIRPOIEHL-MDOVXXIYSA-N 0 3 330.447 4.182 20 10 EICDHN Clc1ccc2c(n1)CC[C@@H]2NCc1ccc(N2CCCC2)cc1 ZINC000806130857 1047155734 /nfs/dbraw/zinc/15/57/34/1047155734.db2.gz DDVCNUXXKKMJKR-KRWDZBQOSA-N 0 3 327.859 4.112 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC2(F)CCC2)c1[O-] ZINC000806173559 1047160887 /nfs/dbraw/zinc/16/08/87/1047160887.db2.gz JVEYNKDIRCSZEK-NSHDSACASA-N 0 3 330.241 4.396 20 10 EICDHN CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000806175973 1047161936 /nfs/dbraw/zinc/16/19/36/1047161936.db2.gz GVYLBVGGNAYUJQ-UZLBHIALSA-N 0 3 342.483 4.133 20 10 EICDHN CC[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148159 1047172834 /nfs/dbraw/zinc/17/28/34/1047172834.db2.gz CVUGZYVMBIUOPE-QAPCUYQASA-N 0 3 338.923 4.454 20 10 EICDHN CSC1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CCC1 ZINC000788606939 1047245604 /nfs/dbraw/zinc/24/56/04/1047245604.db2.gz SCCLDERQICOARN-NSHDSACASA-N 0 3 344.318 4.399 20 10 EICDHN COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3c(C)cc(C)cc3[O-])c21 ZINC000788731412 1047280217 /nfs/dbraw/zinc/28/02/17/1047280217.db2.gz BDNZPHBOGYJYPX-OAHLLOKOSA-N 0 3 338.451 4.392 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1[O-] ZINC000154871280 1047725152 /nfs/dbraw/zinc/72/51/52/1047725152.db2.gz IWMVRKYCFWEKNB-MSOLQXFVSA-N 0 3 328.456 4.253 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1[O-] ZINC000814177761 1047866401 /nfs/dbraw/zinc/86/64/01/1047866401.db2.gz OISKXGAHRIXVOF-APPDUMDISA-N 0 3 337.872 4.208 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)c1ccccc1[O-] ZINC000155022532 1047885886 /nfs/dbraw/zinc/88/58/86/1047885886.db2.gz LCPPZCLBCQJACQ-CQSZACIVSA-N 0 3 337.366 4.243 20 10 EICDHN Cc1cc(CNCc2ccc(N(C)Cc3cccs3)cc2)ccn1 ZINC000824596180 1047891049 /nfs/dbraw/zinc/89/10/49/1047891049.db2.gz GNAYGTZDAKLAJO-UHFFFAOYSA-N 0 3 337.492 4.378 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000808451267 1047914154 /nfs/dbraw/zinc/91/41/54/1047914154.db2.gz KKBFRTIIGGSLHL-LJQANCHMSA-N 0 3 331.415 4.325 20 10 EICDHN O[C@H](c1ccccc1)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000808449698 1047915523 /nfs/dbraw/zinc/91/55/23/1047915523.db2.gz XVCXQSUBIGWETO-XZOQPEGZSA-N 0 3 345.442 4.186 20 10 EICDHN COc1ccc(O)c([C@H](C)N[C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825045539 1048023654 /nfs/dbraw/zinc/02/36/54/1048023654.db2.gz GGBWUPHSWHXQOM-XPTSAGLGSA-N 0 3 337.341 4.156 20 10 EICDHN CCCOc1ncccc1CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000808680193 1048033809 /nfs/dbraw/zinc/03/38/09/1048033809.db2.gz DRCAJLGXSBCHCC-CYBMUJFWSA-N 0 3 334.847 4.389 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1[O-] ZINC000808683867 1048036158 /nfs/dbraw/zinc/03/61/58/1048036158.db2.gz KQALAFYAMAYBNM-AWEZNQCLSA-N 0 3 341.842 4.391 20 10 EICDHN CCCOc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808693587 1048039095 /nfs/dbraw/zinc/03/90/95/1048039095.db2.gz IWOLLVPUYANMPQ-ZDUSSCGKSA-N 0 3 334.847 4.389 20 10 EICDHN Cc1ccc(O)c(CN[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c1 ZINC000825130480 1048040051 /nfs/dbraw/zinc/04/00/51/1048040051.db2.gz YUPZUVJHVMKRBQ-KRWDZBQOSA-N 0 3 340.250 4.005 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1[O-] ZINC000808672701 1048044739 /nfs/dbraw/zinc/04/47/39/1048044739.db2.gz RKCVKWMZBFMJIH-YOEHRIQHSA-N 0 3 348.874 4.435 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1[O-] ZINC000808675190 1048045069 /nfs/dbraw/zinc/04/50/69/1048045069.db2.gz YZOGXWSEHSWVPQ-NEPJUHHUSA-N 0 3 333.815 4.495 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)NCc2cccnc2OC(C)C)c1O ZINC000808676640 1048045267 /nfs/dbraw/zinc/04/52/67/1048045267.db2.gz HWGLWJQFQBGHAU-ZDUSSCGKSA-N 0 3 334.847 4.387 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1[O-] ZINC000808674310 1048045649 /nfs/dbraw/zinc/04/56/49/1048045649.db2.gz DNFRULZABXKQJF-CQSZACIVSA-N 0 3 341.842 4.391 20 10 EICDHN COc1cccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1OC ZINC000808678990 1048047749 /nfs/dbraw/zinc/04/77/49/1048047749.db2.gz ZJFDIZLNXHHHJU-ZDUSSCGKSA-N 0 3 349.858 4.265 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1[O-] ZINC000808679417 1048048769 /nfs/dbraw/zinc/04/87/69/1048048769.db2.gz ONYJHSRXMMFTAK-BBRMVZONSA-N 0 3 335.879 4.316 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000808707915 1048052387 /nfs/dbraw/zinc/05/23/87/1048052387.db2.gz CKUJTSRXEGUAFU-LBPRGKRZSA-N 0 3 334.803 4.156 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1[O-] ZINC000808710689 1048055488 /nfs/dbraw/zinc/05/54/88/1048055488.db2.gz VKFMCLXBAIKKGE-HPGNRBDVSA-N 0 3 343.945 4.384 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c1[O-] ZINC000808708921 1048055981 /nfs/dbraw/zinc/05/59/81/1048055981.db2.gz RVZGJEBZXWWCMW-UGSOOPFHSA-N 0 3 330.859 4.191 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1[O-] ZINC000808715970 1048063770 /nfs/dbraw/zinc/06/37/70/1048063770.db2.gz PBNYAOZEANQHDD-CZUORRHYSA-N 0 3 335.879 4.178 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000808696727 1048077099 /nfs/dbraw/zinc/07/70/99/1048077099.db2.gz SDWIBXNYQXXIDS-VNBZBWLYSA-N 0 3 337.822 4.266 20 10 EICDHN CN(C)CCSC1=NC(=O)/C(=C/c2csc3ccccc23)S1 ZINC000814771870 1048165873 /nfs/dbraw/zinc/16/58/73/1048165873.db2.gz HNCLXJDRXRHSQK-ZROIWOOFSA-N 0 3 348.518 4.166 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc2ccccc2o1 ZINC000815055343 1048306542 /nfs/dbraw/zinc/30/65/42/1048306542.db2.gz WYZUIYRFXNTMJN-GOSISDBHSA-N 0 3 325.408 4.084 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc2ccccc2o1 ZINC000815055343 1048306551 /nfs/dbraw/zinc/30/65/51/1048306551.db2.gz WYZUIYRFXNTMJN-GOSISDBHSA-N 0 3 325.408 4.084 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccc(OC)c(OC)c1C ZINC000809555920 1048413216 /nfs/dbraw/zinc/41/32/16/1048413216.db2.gz BTBBTRAQGBOBRH-UHFFFAOYSA-N 0 3 329.440 4.130 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccc(OC)c(OC)c1C ZINC000809555920 1048413220 /nfs/dbraw/zinc/41/32/20/1048413220.db2.gz BTBBTRAQGBOBRH-UHFFFAOYSA-N 0 3 329.440 4.130 20 10 EICDHN COC(=O)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000809733385 1048483376 /nfs/dbraw/zinc/48/33/76/1048483376.db2.gz VATZQWRRLWEGJW-UHFFFAOYSA-N 0 3 347.414 4.136 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC000815553327 1048505539 /nfs/dbraw/zinc/50/55/39/1048505539.db2.gz XRJNZONRRAAWBV-SFHVURJKSA-N 0 3 338.495 4.324 20 10 EICDHN CC(C)[C@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579549 1048518497 /nfs/dbraw/zinc/51/84/97/1048518497.db2.gz PHAUHQCXJPWIRF-PZJWPPBQSA-N 0 3 327.468 4.063 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOc1cccnc1 ZINC000815580053 1048521329 /nfs/dbraw/zinc/52/13/29/1048521329.db2.gz BGDOUCGYMIJPFT-NRFANRHFSA-N 0 3 348.446 4.130 20 10 EICDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])[C@H](C)c1cccnc1 ZINC000809766494 1048526122 /nfs/dbraw/zinc/52/61/22/1048526122.db2.gz YZTWBVGLSOCFOH-CYBMUJFWSA-N 0 3 349.272 4.441 20 10 EICDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])[C@H](C)c1cccnc1 ZINC000809766494 1048526134 /nfs/dbraw/zinc/52/61/34/1048526134.db2.gz YZTWBVGLSOCFOH-CYBMUJFWSA-N 0 3 349.272 4.441 20 10 EICDHN CC(C)(CCCO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815590039 1048528535 /nfs/dbraw/zinc/52/85/35/1048528535.db2.gz KDQBBJXQQCVWNN-HXUWFJFHSA-N 0 3 341.495 4.454 20 10 EICDHN COc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])c(Cl)c1OC ZINC000815639043 1048565387 /nfs/dbraw/zinc/56/53/87/1048565387.db2.gz MJZPVFYFMFWVQT-CYBMUJFWSA-N 0 3 349.858 4.265 20 10 EICDHN COC1(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CCC1 ZINC000815642199 1048568161 /nfs/dbraw/zinc/56/81/61/1048568161.db2.gz VHFRGEUOTLFBEN-LBPRGKRZSA-N 0 3 342.277 4.073 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227773 1048696614 /nfs/dbraw/zinc/69/66/14/1048696614.db2.gz JBFVQMRVQIDGMG-MEBBXXQBSA-N 0 3 341.377 4.114 20 10 EICDHN CC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207122 1048702941 /nfs/dbraw/zinc/70/29/41/1048702941.db2.gz GZESVBDKPDSYCG-INIZCTEOSA-N 0 3 342.405 4.079 20 10 EICDHN CCC[C@@H](Cc1ccccc1)[N@H+](CCC)Cc1c([O-])cc(O)cc1O ZINC001144516203 1048710532 /nfs/dbraw/zinc/71/05/32/1048710532.db2.gz SYVCDJSUQHGGTP-KRWDZBQOSA-N 0 3 343.467 4.427 20 10 EICDHN CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)Cc1c([O-])cc(O)cc1O ZINC001144516203 1048710550 /nfs/dbraw/zinc/71/05/50/1048710550.db2.gz SYVCDJSUQHGGTP-KRWDZBQOSA-N 0 3 343.467 4.427 20 10 EICDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846051603 1048807424 /nfs/dbraw/zinc/80/74/24/1048807424.db2.gz HBJCACMIKWFTFK-SJKOYZFVSA-N 0 3 345.414 4.493 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000846114524 1048815030 /nfs/dbraw/zinc/81/50/30/1048815030.db2.gz MROWVHWXJXVANX-UHFFFAOYSA-N 0 3 325.305 4.329 20 10 EICDHN [O-]c1cc(F)c(Cl)cc1CN[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000816528542 1048824512 /nfs/dbraw/zinc/82/45/12/1048824512.db2.gz HOWOUDDNJGMNHX-SFHVURJKSA-N 0 3 348.849 4.111 20 10 EICDHN C[C@@H](O)[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1F ZINC000846182976 1048835719 /nfs/dbraw/zinc/83/57/19/1048835719.db2.gz MNUIMUGUGCCUFI-QTCYRWPVSA-N 0 3 343.442 4.183 20 10 EICDHN CCn1c(C[NH2+]Cc2ccc3ccccc3c2[O-])nc2ccccc21 ZINC000816569143 1048837555 /nfs/dbraw/zinc/83/75/55/1048837555.db2.gz AXDDVKLATQUORU-UHFFFAOYSA-N 0 3 331.419 4.205 20 10 EICDHN C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985397 1049080560 /nfs/dbraw/zinc/08/05/60/1049080560.db2.gz JTPANQCURQXNOG-QWRGUYRKSA-N 0 3 329.271 4.024 20 10 EICDHN COc1cc(CN2CCC(F)(F)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000811781237 1049263215 /nfs/dbraw/zinc/26/32/15/1049263215.db2.gz WHNICVSTESEVCF-GFCCVEGCSA-N 0 3 327.415 4.175 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000819902930 1049386930 /nfs/dbraw/zinc/38/69/30/1049386930.db2.gz ILGQMYVIBTZLSS-NRFANRHFSA-N 0 3 337.463 4.327 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000819902930 1049386945 /nfs/dbraw/zinc/38/69/45/1049386945.db2.gz ILGQMYVIBTZLSS-NRFANRHFSA-N 0 3 337.463 4.327 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000819902931 1049387849 /nfs/dbraw/zinc/38/78/49/1049387849.db2.gz ILGQMYVIBTZLSS-OAQYLSRUSA-N 0 3 337.463 4.327 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000819902931 1049387865 /nfs/dbraw/zinc/38/78/65/1049387865.db2.gz ILGQMYVIBTZLSS-OAQYLSRUSA-N 0 3 337.463 4.327 20 10 EICDHN CC[C@H](NCc1ccc(N(C)C)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000772999555 1049510521 /nfs/dbraw/zinc/51/05/21/1049510521.db2.gz MOWKOFUPWPBHHW-SFHVURJKSA-N 0 3 327.428 4.210 20 10 EICDHN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000773001432 1049516472 /nfs/dbraw/zinc/51/64/72/1049516472.db2.gz SJAYLPBLVRZFOG-OAHLLOKOSA-N 0 3 327.428 4.128 20 10 EICDHN CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000812735722 1049555686 /nfs/dbraw/zinc/55/56/86/1049555686.db2.gz FQZBKFNZVDFRMB-VQIMIIECSA-N 0 3 342.458 4.407 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2cn(C)nc2C2CCCCC2)c1 ZINC000813331660 1049752915 /nfs/dbraw/zinc/75/29/15/1049752915.db2.gz QIXPMXCXCMCMJH-CQSZACIVSA-N 0 3 343.471 4.033 20 10 EICDHN Oc1cc(OCc2ccccc2)ccc1CN1CC(CC(F)F)C1 ZINC000822520634 1049767417 /nfs/dbraw/zinc/76/74/17/1049767417.db2.gz JQQPAJLCFQVXPC-UHFFFAOYSA-N 0 3 333.378 4.058 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CC(CC(F)F)C1 ZINC000822520634 1049767423 /nfs/dbraw/zinc/76/74/23/1049767423.db2.gz JQQPAJLCFQVXPC-UHFFFAOYSA-N 0 3 333.378 4.058 20 10 EICDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H]1OCCc2sccc21 ZINC000813885818 1049831322 /nfs/dbraw/zinc/83/13/22/1049831322.db2.gz XVDJDEOVXVIRIV-RPWYUHBMSA-N 0 3 347.455 4.433 20 10 EICDHN Cc1cncc(CNCc2ccc(N(C)Cc3cccs3)cc2)c1 ZINC000824050460 1049894605 /nfs/dbraw/zinc/89/46/05/1049894605.db2.gz GHSNRWDSKCMXAV-UHFFFAOYSA-N 0 3 337.492 4.378 20 10 EICDHN COc1ccc(CNCc2cc(Br)cs2)cc1C ZINC000069710528 1050315788 /nfs/dbraw/zinc/31/57/88/1050315788.db2.gz GTJJCNKCWDQPHP-UHFFFAOYSA-N 0 3 326.259 4.117 20 10 EICDHN C[C@@H]1CC([N@H+](C)Cc2ccccc2[O-])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173682366 1050530841 /nfs/dbraw/zinc/53/08/41/1050530841.db2.gz XNWHAXHIAYQMAH-HUUCEWRRSA-N 0 3 348.487 4.001 20 10 EICDHN C[C@@H]1CC([N@@H+](C)Cc2ccccc2[O-])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173682366 1050530853 /nfs/dbraw/zinc/53/08/53/1050530853.db2.gz XNWHAXHIAYQMAH-HUUCEWRRSA-N 0 3 348.487 4.001 20 10 EICDHN Cc1ccc(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)c([O-])c1 ZINC001181101998 1051148204 /nfs/dbraw/zinc/14/82/04/1051148204.db2.gz HXBIVGRHKDWQEA-VQTJNVASSA-N 0 3 325.452 4.174 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775410600 1051274121 /nfs/dbraw/zinc/27/41/21/1051274121.db2.gz AWAVEFMEXPNYFF-NVXWUHKLSA-N 0 3 339.357 4.185 20 10 EICDHN C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774133107 1051476780 /nfs/dbraw/zinc/47/67/80/1051476780.db2.gz WKIFMHNRVYTRSB-NWDGAFQWSA-N 0 3 331.287 4.082 20 10 EICDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2C)c([O-])c1 ZINC001182345827 1051512059 /nfs/dbraw/zinc/51/20/59/1051512059.db2.gz RYLLZOAXOCOUMM-IBGZPJMESA-N 0 3 329.415 4.494 20 10 EICDHN COc1cc(C)c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2C)c([O-])c1 ZINC001182345827 1051512075 /nfs/dbraw/zinc/51/20/75/1051512075.db2.gz RYLLZOAXOCOUMM-IBGZPJMESA-N 0 3 329.415 4.494 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1[O-] ZINC000775507944 1051646809 /nfs/dbraw/zinc/64/68/09/1051646809.db2.gz PTIOUWBTUBZLDK-LPHOPBHVSA-N 0 3 328.431 4.241 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1[O-] ZINC000775507948 1051648382 /nfs/dbraw/zinc/64/83/82/1051648382.db2.gz PTIOUWBTUBZLDK-VQIMIIECSA-N 0 3 328.431 4.241 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccccc1[O-] ZINC000775509140 1051648582 /nfs/dbraw/zinc/64/85/82/1051648582.db2.gz ZSXGZZJKYBTIDY-QUCCMNQESA-N 0 3 327.468 4.464 20 10 EICDHN CC[C@H]([NH2+][C@H](C)[C@@H](OC)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000775526333 1051711539 /nfs/dbraw/zinc/71/15/39/1051711539.db2.gz QSBMUJODRTXUDX-HEFCMCLBSA-N 0 3 329.440 4.218 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccccc1[O-] ZINC000775531601 1051751660 /nfs/dbraw/zinc/75/16/60/1051751660.db2.gz IKBFGFMPKASVAZ-MAUKXSAKSA-N 0 3 330.859 4.365 20 10 EICDHN Cc1cc(CC[NH2+]Cc2ccc(C)cc2[O-])c(C)n1-c1ccccc1 ZINC001183179848 1051802421 /nfs/dbraw/zinc/80/24/21/1051802421.db2.gz JJNJJXLIZGUWEQ-UHFFFAOYSA-N 0 3 334.463 4.440 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@H]1CCSC1 ZINC001183337324 1051831265 /nfs/dbraw/zinc/83/12/65/1051831265.db2.gz VLEKYCJMFLBHBN-KRWDZBQOSA-N 0 3 343.492 4.204 20 10 EICDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)c2c1c(F)ccc2[O-] ZINC000775568448 1051863280 /nfs/dbraw/zinc/86/32/80/1051863280.db2.gz LHWGEPIMVFJWDF-BLLLJJGKSA-N 0 3 329.415 4.097 20 10 EICDHN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183822752 1051909280 /nfs/dbraw/zinc/90/92/80/1051909280.db2.gz LVWJXSDCGWVJSC-KYPFXXDHSA-N 0 3 337.463 4.353 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000184912136 1052295268 /nfs/dbraw/zinc/29/52/68/1052295268.db2.gz FBDCMBDQAWKHCZ-JTQLQIEISA-N 0 3 329.293 4.281 20 10 EICDHN CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-])O[C@H](C)C2 ZINC000184898090 1052298552 /nfs/dbraw/zinc/29/85/52/1052298552.db2.gz MDRKAJRIQNRVNN-OLZOCXBDSA-N 0 3 345.414 4.104 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000185157368 1052494349 /nfs/dbraw/zinc/49/43/49/1052494349.db2.gz HFBAULBZGABDHW-KGLIPLIRSA-N 0 3 342.414 4.070 20 10 EICDHN C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1[O-] ZINC000185245847 1052549518 /nfs/dbraw/zinc/54/95/18/1052549518.db2.gz TWAJGBFQALPOCR-CABCVRRESA-N 0 3 348.487 4.156 20 10 EICDHN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])N2CCCC2)o1 ZINC000185298150 1052571547 /nfs/dbraw/zinc/57/15/47/1052571547.db2.gz YFKBLKYLNBDACB-FUHWJXTLSA-N 0 3 328.456 4.090 20 10 EICDHN C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185469832 1052611032 /nfs/dbraw/zinc/61/10/32/1052611032.db2.gz LWFQRFOSBXSWAG-JKSUJKDBSA-N 0 3 342.458 4.408 20 10 EICDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000185612197 1052658146 /nfs/dbraw/zinc/65/81/46/1052658146.db2.gz NHUNUIROTBCECC-KBPBESRZSA-N 0 3 325.387 4.129 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc3ccccc3s2)c([O-])c1 ZINC000185721241 1052685785 /nfs/dbraw/zinc/68/57/85/1052685785.db2.gz JPKDHZYTDRGPPD-DYVFJYSZSA-N 0 3 327.449 4.300 20 10 EICDHN Cc1csc(C2(NCc3cc4c(cc3O)CCC4)CCCC2)n1 ZINC000764121818 1053032021 /nfs/dbraw/zinc/03/20/21/1053032021.db2.gz RCKUQKIMPLCYPR-UHFFFAOYSA-N 0 3 328.481 4.205 20 10 EICDHN [O-]c1ccc2ccccc2c1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000764122592 1053032406 /nfs/dbraw/zinc/03/24/06/1053032406.db2.gz ZZBGDNAOBLIPMS-UHFFFAOYSA-N 0 3 333.431 4.341 20 10 EICDHN COc1cccc(C2(NCc3ccc(N(C)C)c(F)c3)CCC2)c1 ZINC000850405188 1053176608 /nfs/dbraw/zinc/17/66/08/1053176608.db2.gz JGUQSARLCWTMFV-UHFFFAOYSA-N 0 3 328.431 4.069 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H]3C)c2c1 ZINC000794654578 1053253843 /nfs/dbraw/zinc/25/38/43/1053253843.db2.gz DHGQHVFIPKOXPZ-ZBEGNZNMSA-N 0 3 339.357 4.327 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H]3C)c2c1 ZINC000794654578 1053253884 /nfs/dbraw/zinc/25/38/84/1053253884.db2.gz DHGQHVFIPKOXPZ-ZBEGNZNMSA-N 0 3 339.357 4.327 20 10 EICDHN CC[C@H](N[C@H](COC)c1cccc(OC)c1)c1ccc(N(C)C)cc1 ZINC000850515276 1053274519 /nfs/dbraw/zinc/27/45/19/1053274519.db2.gz VKHMTQJIIPLIIS-LEWJYISDSA-N 0 3 342.483 4.190 20 10 EICDHN CC[C@H](NCc1cc(OC)ccc1OC)c1ccc(N(C)C)cc1 ZINC000764749025 1053288468 /nfs/dbraw/zinc/28/84/68/1053288468.db2.gz OXBVVMAGIVIBRJ-IBGZPJMESA-N 0 3 328.456 4.011 20 10 EICDHN CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C)c1ccc(C)cc1[O-] ZINC000850557342 1053311624 /nfs/dbraw/zinc/31/16/24/1053311624.db2.gz WPWAURKMGFUKBW-JBACZVJFSA-N 0 3 327.468 4.500 20 10 EICDHN CC[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794801068 1053384187 /nfs/dbraw/zinc/38/41/87/1053384187.db2.gz IAJJUIZXQDVTAM-UXHICEINSA-N 0 3 335.451 4.379 20 10 EICDHN CC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(C)cc1[O-] ZINC000794792032 1053387583 /nfs/dbraw/zinc/38/75/83/1053387583.db2.gz KWSCDCLPAKADGC-HXUWFJFHSA-N 0 3 335.451 4.170 20 10 EICDHN CC[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1[O-] ZINC000794804942 1053391011 /nfs/dbraw/zinc/39/10/11/1053391011.db2.gz WJMXPLMASRTDNZ-IRXDYDNUSA-N 0 3 348.487 4.045 20 10 EICDHN CC[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1[O-] ZINC000794804943 1053392532 /nfs/dbraw/zinc/39/25/32/1053392532.db2.gz WJMXPLMASRTDNZ-SJORKVTESA-N 0 3 348.487 4.045 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2cccnc21)C[C@@H]1CCCO1 ZINC000109761564 1053420069 /nfs/dbraw/zinc/42/00/69/1053420069.db2.gz OPZIITWXJBFKSE-FQEVSTJZSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc2cccnc21)C[C@@H]1CCCO1 ZINC000109761564 1053420075 /nfs/dbraw/zinc/42/00/75/1053420075.db2.gz OPZIITWXJBFKSE-FQEVSTJZSA-N 0 3 348.446 4.122 20 10 EICDHN CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccc(C)cc1[O-] ZINC000794815125 1053422261 /nfs/dbraw/zinc/42/22/61/1053422261.db2.gz GKNQICPJVLNDPE-FQEVSTJZSA-N 0 3 335.451 4.436 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C)cc1[O-] ZINC000794815363 1053422389 /nfs/dbraw/zinc/42/23/89/1053422389.db2.gz KEGXUAYTCQENQI-HNAYVOBHSA-N 0 3 336.439 4.083 20 10 EICDHN C[C@H]([NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000794832657 1053463258 /nfs/dbraw/zinc/46/32/58/1053463258.db2.gz ARQFRQQOYHGJMY-HNNXBMFYSA-N 0 3 346.471 4.000 20 10 EICDHN Cc1ccc2c(c1)[C@H](NCc1ccc(N(C)C)c(F)c1)CCCO2 ZINC000765475484 1053559480 /nfs/dbraw/zinc/55/94/80/1053559480.db2.gz VKOIOCZAMFURDQ-GOSISDBHSA-N 0 3 328.431 4.204 20 10 EICDHN Cc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCCN3C)CCCO2 ZINC000765478927 1053562749 /nfs/dbraw/zinc/56/27/49/1053562749.db2.gz GUFDJBXJYFQAHY-HXUWFJFHSA-N 0 3 336.479 4.381 20 10 EICDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1[O-] ZINC000775693213 1053611911 /nfs/dbraw/zinc/61/19/11/1053611911.db2.gz WGAVLANLGWKUFY-LBPRGKRZSA-N 0 3 336.229 4.046 20 10 EICDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](c3ccco3)C2)c1[O-] ZINC000775693213 1053611915 /nfs/dbraw/zinc/61/19/15/1053611915.db2.gz WGAVLANLGWKUFY-LBPRGKRZSA-N 0 3 336.229 4.046 20 10 EICDHN CC[C@H](N[C@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853242821 1053659396 /nfs/dbraw/zinc/65/93/96/1053659396.db2.gz SSJMCUUCDWIUHC-ROUUACIJSA-N 0 3 333.435 4.306 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccccc1[O-] ZINC000853242821 1053659409 /nfs/dbraw/zinc/65/94/09/1053659409.db2.gz SSJMCUUCDWIUHC-ROUUACIJSA-N 0 3 333.435 4.306 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485077 1053748612 /nfs/dbraw/zinc/74/86/12/1053748612.db2.gz LIMAOUDZMAHATL-KGLIPLIRSA-N 0 3 339.439 4.401 20 10 EICDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc2[nH]c(=O)oc2c1 ZINC000866486146 1053749725 /nfs/dbraw/zinc/74/97/25/1053749725.db2.gz ZPDXMLPGVUYMQX-GPCCPHFNSA-N 0 3 342.370 4.277 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCOc2ccc(F)cc21 ZINC000122681981 1054017973 /nfs/dbraw/zinc/01/79/73/1054017973.db2.gz OLNNADNBVHCIPO-IBGZPJMESA-N 0 3 328.431 4.204 20 10 EICDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000122933330 1054061225 /nfs/dbraw/zinc/06/12/25/1054061225.db2.gz VLJWYZPRYUZQMG-HNNXBMFYSA-N 0 3 339.439 4.136 20 10 EICDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000122933091 1054061758 /nfs/dbraw/zinc/06/17/58/1054061758.db2.gz VLJWYZPRYUZQMG-OAHLLOKOSA-N 0 3 339.439 4.136 20 10 EICDHN CCOCc1cc(CNCc2ccc(Cl)s2)ccc1OC ZINC001199077719 1054340827 /nfs/dbraw/zinc/34/08/27/1054340827.db2.gz LRHYWCKVKQAGFT-UHFFFAOYSA-N 0 3 325.861 4.236 20 10 EICDHN C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872128859 1054404560 /nfs/dbraw/zinc/40/45/60/1054404560.db2.gz ZVHGIKICQNWDRJ-COPLHBTASA-N 0 3 330.359 4.339 20 10 EICDHN C[C@H](N[C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872128859 1054404567 /nfs/dbraw/zinc/40/45/67/1054404567.db2.gz ZVHGIKICQNWDRJ-COPLHBTASA-N 0 3 330.359 4.339 20 10 EICDHN CCC[N@H+](Cc1ccc(OCC)cc1[O-])[C@H]1CCCc2cccnc21 ZINC000775995557 1054435809 /nfs/dbraw/zinc/43/58/09/1054435809.db2.gz NQQCOFGJBAEURD-IBGZPJMESA-N 0 3 340.467 4.476 20 10 EICDHN CCC[N@@H+](Cc1ccc(OCC)cc1[O-])[C@H]1CCCc2cccnc21 ZINC000775995557 1054435816 /nfs/dbraw/zinc/43/58/16/1054435816.db2.gz NQQCOFGJBAEURD-IBGZPJMESA-N 0 3 340.467 4.476 20 10 EICDHN CCCOc1c(CNCc2cc(C)ccc2O)cccc1OCC ZINC000858236978 1054443588 /nfs/dbraw/zinc/44/35/88/1054443588.db2.gz CCYGQDFZIUVBGN-UHFFFAOYSA-N 0 3 329.440 4.178 20 10 EICDHN Cc1cc([O-])c(CNC2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC001200863823 1054558335 /nfs/dbraw/zinc/55/83/35/1054558335.db2.gz LJKUTNTYPZJIBH-UHFFFAOYSA-N 0 3 336.907 4.241 20 10 EICDHN Cc1cccc([O-])c1C[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336611 1055045109 /nfs/dbraw/zinc/04/51/09/1055045109.db2.gz LCBOETKVNHNHCW-XLIONFOSSA-N 0 3 329.415 4.192 20 10 EICDHN Cc1cccc([O-])c1C[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336611 1055045124 /nfs/dbraw/zinc/04/51/24/1055045124.db2.gz LCBOETKVNHNHCW-XLIONFOSSA-N 0 3 329.415 4.192 20 10 EICDHN COc1ccc([C@H](C)NCc2ccc3c(c2)CCCN3C)cc1F ZINC000126678157 1055109228 /nfs/dbraw/zinc/10/92/28/1055109228.db2.gz VOFKEVWAJMBQII-AWEZNQCLSA-N 0 3 328.431 4.068 20 10 EICDHN Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(Cl)c1 ZINC000877756574 1055114693 /nfs/dbraw/zinc/11/46/93/1055114693.db2.gz UHHLGDTZZKKGAH-ZIAGYGMSSA-N 0 3 346.858 4.422 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000877758386 1055117443 /nfs/dbraw/zinc/11/74/43/1055117443.db2.gz XLQYOWFZQOVCRA-CDXJDZJCSA-N 0 3 336.479 4.411 20 10 EICDHN COc1ccc(O)c([C@@H](C)NC2(c3ccc(F)cc3F)CCC2)c1 ZINC000186361130 1055392562 /nfs/dbraw/zinc/39/25/62/1055392562.db2.gz RIJGFBZFZHXWAV-GFCCVEGCSA-N 0 3 333.378 4.409 20 10 EICDHN Cc1cc(O)c(CNCc2ccc(Br)cc2F)cc1C ZINC000742371065 1058596622 /nfs/dbraw/zinc/59/66/22/1058596622.db2.gz XOGTULOBXXCAEN-UHFFFAOYSA-N 0 3 338.220 4.200 20 10 EICDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000743869877 1059192825 /nfs/dbraw/zinc/19/28/25/1059192825.db2.gz DFZHTXNAFHSEAB-QGZVFWFLSA-N 0 3 340.467 4.248 20 10 EICDHN C[C@@H]([NH2+]CC[C@@H](C)N(C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000379640267 1059706746 /nfs/dbraw/zinc/70/67/46/1059706746.db2.gz BNPDNRQLUQFZLV-HZPDHXFCSA-N 0 3 330.447 4.093 20 10 EICDHN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000746048884 1059984974 /nfs/dbraw/zinc/98/49/74/1059984974.db2.gz LHMLHUJNZIYTOF-BBWFWOEESA-N 0 3 342.458 4.290 20 10 EICDHN Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000749298128 1060286322 /nfs/dbraw/zinc/28/63/22/1060286322.db2.gz VUNPNMLTRXCWDF-GOSISDBHSA-N 0 3 339.460 4.252 20 10 EICDHN C[C@@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO[C@H]1C1CC1 ZINC000767196195 1061142491 /nfs/dbraw/zinc/14/24/91/1061142491.db2.gz TULWBZZAHJTPIU-VXKWHMMOSA-N 0 3 337.463 4.354 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)s2)c([O-])c1 ZINC000038018457 202387110 /nfs/dbraw/zinc/38/71/10/202387110.db2.gz YQTJKMPYQDXWSH-JTQLQIEISA-N 0 3 326.259 4.375 20 10 EICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Br)s2)c1 ZINC000038018368 202387630 /nfs/dbraw/zinc/38/76/30/202387630.db2.gz KPAVHTANRLPDLG-SNVBAGLBSA-N 0 3 326.259 4.375 20 10 EICDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(Br)s2)c1 ZINC000038018368 202387633 /nfs/dbraw/zinc/38/76/33/202387633.db2.gz KPAVHTANRLPDLG-SNVBAGLBSA-N 0 3 326.259 4.375 20 10 EICDHN Cc1cnn(-c2ccc([C@H](C)[NH2+][C@@H](C)c3ccccc3[O-])cc2F)c1 ZINC000359998246 201124025 /nfs/dbraw/zinc/12/40/25/201124025.db2.gz WQCANTISKVZIHK-GJZGRUSLSA-N 0 3 339.414 4.437 20 10 EICDHN COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[O-])cc1Br ZINC000037105859 525155536 /nfs/dbraw/zinc/15/55/36/525155536.db2.gz CCHKYKUUKGWSDZ-LLVKDONJSA-N 0 3 336.229 4.014 20 10 EICDHN CCCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2[O-])cc1OC ZINC000236707488 1032827046 /nfs/dbraw/zinc/82/70/46/1032827046.db2.gz GWTNYGULEDSUKA-OAHLLOKOSA-N 0 3 329.440 4.431 20 10 EICDHN CC[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[O-] ZINC000155369738 1020545888 /nfs/dbraw/zinc/54/58/88/1020545888.db2.gz BFGNMTFIFJIFEA-UWJYYQICSA-N 0 3 339.435 4.355 20 10 EICDHN COc1cc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)ccn1 ZINC000177842258 1021738201 /nfs/dbraw/zinc/73/82/01/1021738201.db2.gz VTTUCPOPCGKQRO-KRWDZBQOSA-N 0 3 339.483 4.321 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCOc2c(OC)cc(C)cc21)c1ccccc1[O-] ZINC000376325910 1022170140 /nfs/dbraw/zinc/17/01/40/1022170140.db2.gz TYHPKXDQKCGMGX-DLBZAZTESA-N 0 3 327.424 4.274 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc2ccccc2n1 ZINC000178191956 1022187240 /nfs/dbraw/zinc/18/72/40/1022187240.db2.gz ULVRPEXJYWORKY-MRXNPFEDSA-N 0 3 331.463 4.468 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccccc1[O-] ZINC000248555346 1023074236 /nfs/dbraw/zinc/07/42/36/1023074236.db2.gz KIOXDJLLUSVEFG-CUWPLCDZSA-N 0 3 338.495 4.486 20 10 EICDHN COc1ccc(CN[C@H](C)c2ccc(F)cc2Cl)c(O)c1OC ZINC000893014806 1023668774 /nfs/dbraw/zinc/66/87/74/1023668774.db2.gz ZNKIHYITKLNSLE-SNVBAGLBSA-N 0 3 339.794 4.053 20 10 EICDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(Br)cc1 ZINC000313263185 1024102304 /nfs/dbraw/zinc/10/23/04/1024102304.db2.gz ZDYNYFBAPAAKGS-NHYWBVRUSA-N 0 3 332.241 4.493 20 10 EICDHN CC[C@@H](NCc1c(F)cccc1OC(F)F)c1ccccc1O ZINC000156684399 1025450722 /nfs/dbraw/zinc/45/07/22/1025450722.db2.gz KCBHXWMVEPJLIO-CQSZACIVSA-N 0 3 325.330 4.374 20 10 EICDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000066969835 1025610668 /nfs/dbraw/zinc/61/06/68/1025610668.db2.gz DQMXOMBELQZPPB-CQSZACIVSA-N 0 3 348.849 4.167 20 10 EICDHN CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(OC)c(OC)c1O ZINC000894514736 1026108327 /nfs/dbraw/zinc/10/83/27/1026108327.db2.gz BRVRYHIZLMXXQO-INIZCTEOSA-N 0 3 345.439 4.001 20 10 EICDHN CCN(CC)c1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281373935 1028572376 /nfs/dbraw/zinc/57/23/76/1028572376.db2.gz WUYQNBDAJBMWOU-FQEVSTJZSA-N 0 3 327.447 4.308 20 10 EICDHN COc1cc(C)c(CNCc2c(C)c3ccccc3n2C)cc1OC ZINC000475196610 1029417902 /nfs/dbraw/zinc/41/79/02/1029417902.db2.gz KSMOXLYFAYEFBU-UHFFFAOYSA-N 0 3 338.451 4.102 20 10 EICDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185637101 1030211289 /nfs/dbraw/zinc/21/12/89/1030211289.db2.gz NIVLRRCXHOXRES-UHFFFAOYSA-N 0 3 333.431 4.029 20 10 EICDHN CC[C@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1O ZINC000186626048 1030290729 /nfs/dbraw/zinc/29/07/29/1030290729.db2.gz CIXUNYUCYXSAQJ-AZUAARDMSA-N 0 3 339.414 4.095 20 10 EICDHN C[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccccc1[O-] ZINC000179889418 1031556064 /nfs/dbraw/zinc/55/60/64/1031556064.db2.gz NEPVWQRDAABQFH-BZNIZROVSA-N 0 3 332.241 4.493 20 10 EICDHN CCOc1ccc(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])cc1OC ZINC000280046300 1035144387 /nfs/dbraw/zinc/14/43/87/1035144387.db2.gz JIASKQBGENLATA-QGZVFWFLSA-N 0 3 329.440 4.349 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccc(C)cc1[O-] ZINC000280130256 1035186474 /nfs/dbraw/zinc/18/64/74/1035186474.db2.gz OXLMAXRYPYSWFQ-IBGZPJMESA-N 0 3 339.483 4.327 20 10 EICDHN CC[C@@H](NCc1nc2cc(Cl)ccc2n1C)c1ccc(C)cc1O ZINC000280207804 1035199357 /nfs/dbraw/zinc/19/93/57/1035199357.db2.gz TWLLDFPNUZCREH-OAHLLOKOSA-N 0 3 343.858 4.482 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@H]1CCCCO1 ZINC000760649899 1035863008 /nfs/dbraw/zinc/86/30/08/1035863008.db2.gz HEXMKUCUPSCICQ-HXUWFJFHSA-N 0 3 325.452 4.498 20 10 EICDHN COc1cc(Cl)cc(CN(C)Cc2cc3ccccc3o2)c1O ZINC000761201878 1036025990 /nfs/dbraw/zinc/02/59/90/1036025990.db2.gz HPDKCGLLZGDEOO-UHFFFAOYSA-N 0 3 331.799 4.432 20 10 EICDHN CCCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000273424162 1037460107 /nfs/dbraw/zinc/46/01/07/1037460107.db2.gz SYHCXJUPFLDRPD-ZDUSSCGKSA-N 0 3 333.403 4.180 20 10 EICDHN COc1ccccc1OCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848521 1043833897 /nfs/dbraw/zinc/83/38/97/1043833897.db2.gz ZSEBUXRTCMHWHX-UHFFFAOYSA-N 0 3 341.451 4.224 20 10 EICDHN COc1ccccc1OCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848521 1043833904 /nfs/dbraw/zinc/83/39/04/1043833904.db2.gz ZSEBUXRTCMHWHX-UHFFFAOYSA-N 0 3 341.451 4.224 20 10 EICDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccccc1 ZINC000731848351 1043834443 /nfs/dbraw/zinc/83/44/43/1043834443.db2.gz XFXHTYVFSRSODH-UHFFFAOYSA-N 0 3 338.451 4.166 20 10 EICDHN O=C(CC[N@H+](Cc1ccccc1[O-])C1CCCC1)Nc1ccccc1 ZINC000731848351 1043834444 /nfs/dbraw/zinc/83/44/44/1043834444.db2.gz XFXHTYVFSRSODH-UHFFFAOYSA-N 0 3 338.451 4.166 20 10 EICDHN CC(=O)Nc1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731847147 1043834537 /nfs/dbraw/zinc/83/45/37/1043834537.db2.gz FCOBWINBHMSNET-UHFFFAOYSA-N 0 3 338.451 4.295 20 10 EICDHN CC(=O)Nc1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000731847147 1043834540 /nfs/dbraw/zinc/83/45/40/1043834540.db2.gz FCOBWINBHMSNET-UHFFFAOYSA-N 0 3 338.451 4.295 20 10 EICDHN C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000731843380 1043835620 /nfs/dbraw/zinc/83/56/20/1043835620.db2.gz BPMFOPPYYMFGRN-LBPRGKRZSA-N 0 3 325.330 4.484 20 10 EICDHN C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000731843380 1043835624 /nfs/dbraw/zinc/83/56/24/1043835624.db2.gz BPMFOPPYYMFGRN-LBPRGKRZSA-N 0 3 325.330 4.484 20 10 EICDHN C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000731843378 1043836161 /nfs/dbraw/zinc/83/61/61/1043836161.db2.gz BPMFOPPYYMFGRN-GFCCVEGCSA-N 0 3 325.330 4.484 20 10 EICDHN C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000731843378 1043836164 /nfs/dbraw/zinc/83/61/64/1043836164.db2.gz BPMFOPPYYMFGRN-GFCCVEGCSA-N 0 3 325.330 4.484 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccccc1F)C1CCCC1 ZINC000732204743 1043887243 /nfs/dbraw/zinc/88/72/43/1043887243.db2.gz RCNFZXQZNPWNQS-FQEVSTJZSA-N 0 3 329.415 4.010 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccccc1F)C1CCCC1 ZINC000732204743 1043887244 /nfs/dbraw/zinc/88/72/44/1043887244.db2.gz RCNFZXQZNPWNQS-FQEVSTJZSA-N 0 3 329.415 4.010 20 10 EICDHN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000494982810 1044569931 /nfs/dbraw/zinc/56/99/31/1044569931.db2.gz ACPDBPHUCXPCSJ-INIZCTEOSA-N 0 3 349.478 4.039 20 10 EICDHN CCOc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)c([O-])c1 ZINC000734843283 1044697816 /nfs/dbraw/zinc/69/78/16/1044697816.db2.gz INWUWFYMIXLLGP-UHFFFAOYSA-N 0 3 341.451 4.359 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000734850701 1044701769 /nfs/dbraw/zinc/70/17/69/1044701769.db2.gz NEJVCSQWWFWBGC-FQEVSTJZSA-N 0 3 337.394 4.022 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCc1ccc(O)cc1 ZINC000735677176 1044853177 /nfs/dbraw/zinc/85/31/77/1044853177.db2.gz NFYJLDPRLUHWJZ-UHFFFAOYSA-N 0 3 333.431 4.487 20 10 EICDHN CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])CCO2 ZINC000186692419 1045132329 /nfs/dbraw/zinc/13/23/29/1045132329.db2.gz OBIAJPXJCFLTGX-ROUUACIJSA-N 0 3 327.424 4.355 20 10 EICDHN Cc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)s1 ZINC000915681996 1045446785 /nfs/dbraw/zinc/44/67/85/1045446785.db2.gz MZCJGPQLQASVMM-UHFFFAOYSA-N 0 3 345.468 4.245 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cncc2ccccc21)C[C@H]1CCCO1 ZINC000768162514 1045729652 /nfs/dbraw/zinc/72/96/52/1045729652.db2.gz NIKMVCWLYIPRCN-HXUWFJFHSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cncc2ccccc21)C[C@H]1CCCO1 ZINC000768162514 1045729668 /nfs/dbraw/zinc/72/96/68/1045729668.db2.gz NIKMVCWLYIPRCN-HXUWFJFHSA-N 0 3 348.446 4.122 20 10 EICDHN C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000768163585 1045730187 /nfs/dbraw/zinc/73/01/87/1045730187.db2.gz ZVEQHUUYSRIBMJ-AYBZRNKSSA-N 0 3 341.451 4.290 20 10 EICDHN CCOc1cccc(CN(C)Cc2ccccc2C(F)(F)F)c1O ZINC000768229489 1045760105 /nfs/dbraw/zinc/76/01/05/1045760105.db2.gz KZEGRZPIIFHBGB-UHFFFAOYSA-N 0 3 339.357 4.442 20 10 EICDHN CC[C@H](N[C@H]1CCOc2ccc(OC)cc21)c1ccc(N(C)C)cc1 ZINC000768285348 1045779264 /nfs/dbraw/zinc/77/92/64/1045779264.db2.gz LGVNSKDBTXLWJI-PMACEKPBSA-N 0 3 340.467 4.326 20 10 EICDHN COc1cc(CN2CC[C@H](Oc3ccccc3Cl)C2)c(O)cc1C ZINC000768461808 1045811106 /nfs/dbraw/zinc/81/11/06/1045811106.db2.gz FGKSTNSRZLSFKQ-HNNXBMFYSA-N 0 3 347.842 4.016 20 10 EICDHN CCC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)Cc1ccccc1[O-] ZINC000768664154 1045829037 /nfs/dbraw/zinc/82/90/37/1045829037.db2.gz MHZWFWWTAJORLR-UHFFFAOYSA-N 0 3 341.451 4.450 20 10 EICDHN CCC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)Cc1ccccc1[O-] ZINC000768664154 1045829035 /nfs/dbraw/zinc/82/90/35/1045829035.db2.gz MHZWFWWTAJORLR-UHFFFAOYSA-N 0 3 341.451 4.450 20 10 EICDHN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769147177 1045880473 /nfs/dbraw/zinc/88/04/73/1045880473.db2.gz BSSXLLWHQBXTEW-HOTGVXAUSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769147177 1045880470 /nfs/dbraw/zinc/88/04/70/1045880470.db2.gz BSSXLLWHQBXTEW-HOTGVXAUSA-N 0 3 336.907 4.132 20 10 EICDHN CCC[N@H+](Cc1ccc(OCC)c(OC)c1)Cc1ccccc1[O-] ZINC000769200612 1045892062 /nfs/dbraw/zinc/89/20/62/1045892062.db2.gz CJYLUEGHWVHUQE-UHFFFAOYSA-N 0 3 329.440 4.212 20 10 EICDHN CCC[N@@H+](Cc1ccc(OCC)c(OC)c1)Cc1ccccc1[O-] ZINC000769200612 1045892067 /nfs/dbraw/zinc/89/20/67/1045892067.db2.gz CJYLUEGHWVHUQE-UHFFFAOYSA-N 0 3 329.440 4.212 20 10 EICDHN COc1cccc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1[O-] ZINC000769212747 1045895844 /nfs/dbraw/zinc/89/58/44/1045895844.db2.gz RJZSRGOSDUUKMV-RXVVDRJESA-N 0 3 341.451 4.001 20 10 EICDHN COc1cccc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1[O-] ZINC000769212747 1045895846 /nfs/dbraw/zinc/89/58/46/1045895846.db2.gz RJZSRGOSDUUKMV-RXVVDRJESA-N 0 3 341.451 4.001 20 10 EICDHN CCc1nn(C)c(CC)c1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000769389624 1045946949 /nfs/dbraw/zinc/94/69/49/1045946949.db2.gz SBDJZERBQBAIDQ-UHFFFAOYSA-N 0 3 341.499 4.195 20 10 EICDHN CCc1nn(C)c(CC)c1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000769389624 1045946925 /nfs/dbraw/zinc/94/69/25/1045946925.db2.gz SBDJZERBQBAIDQ-UHFFFAOYSA-N 0 3 341.499 4.195 20 10 EICDHN C[N@@H+](CCC1CCOCC1)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769468206 1045982311 /nfs/dbraw/zinc/98/23/11/1045982311.db2.gz CRNUGGUFPHKCIP-UHFFFAOYSA-N 0 3 325.452 4.308 20 10 EICDHN C[N@H+](CCC1CCOCC1)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769468206 1045982294 /nfs/dbraw/zinc/98/22/94/1045982294.db2.gz CRNUGGUFPHKCIP-UHFFFAOYSA-N 0 3 325.452 4.308 20 10 EICDHN CCOc1ccc(O)c(CN2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000769531479 1046009707 /nfs/dbraw/zinc/00/97/07/1046009707.db2.gz BJSGELISPQMJGC-INIZCTEOSA-N 0 3 347.842 4.098 20 10 EICDHN CCOc1ccc(O)c(CN(C)Cc2cccc(OC(C)C)c2)c1 ZINC000769536743 1046012319 /nfs/dbraw/zinc/01/23/19/1046012319.db2.gz DMEMYMJVAYMGND-UHFFFAOYSA-N 0 3 329.440 4.210 20 10 EICDHN CCOC[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792823176 1046073385 /nfs/dbraw/zinc/07/33/85/1046073385.db2.gz QATPDWGHFDAFCV-AWEZNQCLSA-N 0 3 344.421 4.020 20 10 EICDHN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1cccc(O)c1 ZINC000792970309 1046119990 /nfs/dbraw/zinc/11/99/90/1046119990.db2.gz SMTJQWVCWBSGOA-GFCCVEGCSA-N 0 3 338.373 4.328 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000770510020 1046209315 /nfs/dbraw/zinc/20/93/15/1046209315.db2.gz VPEJZVKLQCHHTC-UHFFFAOYSA-N 0 3 340.250 4.084 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000770510020 1046209334 /nfs/dbraw/zinc/20/93/34/1046209334.db2.gz VPEJZVKLQCHHTC-UHFFFAOYSA-N 0 3 340.250 4.084 20 10 EICDHN Oc1ccccc1CN(Cc1csc(Br)c1)C1CC1 ZINC000770504303 1046210631 /nfs/dbraw/zinc/21/06/31/1046210631.db2.gz CSHJCADHCFMZBA-UHFFFAOYSA-N 0 3 338.270 4.381 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000770506135 1046210731 /nfs/dbraw/zinc/21/07/31/1046210731.db2.gz UGMHGANRJBYARS-OAHLLOKOSA-N 0 3 331.843 4.337 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000770506135 1046210716 /nfs/dbraw/zinc/21/07/16/1046210716.db2.gz UGMHGANRJBYARS-OAHLLOKOSA-N 0 3 331.843 4.337 20 10 EICDHN COc1ccc(N2CCCN([C@@H](C)c3ccccc3F)CC2)cc1 ZINC000917088510 1046674331 /nfs/dbraw/zinc/67/43/31/1046674331.db2.gz ZXLWYVDQXLLPNN-INIZCTEOSA-N 0 3 328.431 4.108 20 10 EICDHN C[C@H]1C[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2c1c(F)ccc2[O-] ZINC000785569172 1046720937 /nfs/dbraw/zinc/72/09/37/1046720937.db2.gz AZCLAXKKEWEORG-LKTVYLICSA-N 0 3 331.362 4.332 20 10 EICDHN Cc1cc(O)c(CNCc2cccc(C)c2Br)cc1C ZINC000786822688 1046875800 /nfs/dbraw/zinc/87/58/00/1046875800.db2.gz BTSIMEYNYINEJO-UHFFFAOYSA-N 0 3 334.257 4.370 20 10 EICDHN Cc1cscc1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000787296951 1046971951 /nfs/dbraw/zinc/97/19/51/1046971951.db2.gz XHAPYHWRULLPDB-UHFFFAOYSA-N 0 3 326.259 4.123 20 10 EICDHN Clc1ccc2c(n1)CC[C@H]2NCc1ccc(N2CCCC2)cc1 ZINC000806130858 1047154426 /nfs/dbraw/zinc/15/44/26/1047154426.db2.gz DDVCNUXXKKMJKR-QGZVFWFLSA-N 0 3 327.859 4.112 20 10 EICDHN CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131122 1047155379 /nfs/dbraw/zinc/15/53/79/1047155379.db2.gz GOGRYKFUGFLXFD-NHYWBVRUSA-N 0 3 331.287 4.082 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000806175147 1047159918 /nfs/dbraw/zinc/15/99/18/1047159918.db2.gz VUQGLNORIMOELC-SJKOYZFVSA-N 0 3 339.357 4.104 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@H](CN(C)C)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000806172209 1047160739 /nfs/dbraw/zinc/16/07/39/1047160739.db2.gz HYBBWNYSGQAUCV-CSMYWGQOSA-N 0 3 346.421 4.111 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCSC2)c1[O-] ZINC000806178098 1047186540 /nfs/dbraw/zinc/18/65/40/1047186540.db2.gz OSJYIXMMBHAQJQ-VXGBXAGGSA-N 0 3 344.318 4.257 20 10 EICDHN COc1cc([C@H](C)NCc2ccc(N3CCC(C)CC3)cc2)ccn1 ZINC000788590474 1047240540 /nfs/dbraw/zinc/24/05/40/1047240540.db2.gz GJOUXGXBCTUXCU-KRWDZBQOSA-N 0 3 339.483 4.177 20 10 EICDHN [O-]c1ccccc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788972792 1047337089 /nfs/dbraw/zinc/33/70/89/1047337089.db2.gz GHABPIYQBUPSDF-CQSZACIVSA-N 0 3 337.250 4.068 20 10 EICDHN O=C(c1ccccc1Cl)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000898130287 1047552164 /nfs/dbraw/zinc/55/21/64/1047552164.db2.gz FODSBTQRUCZUPJ-UHFFFAOYSA-N 0 3 329.827 4.141 20 10 EICDHN CSC[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000814178897 1047869264 /nfs/dbraw/zinc/86/92/64/1047869264.db2.gz IAZQSNKYMUKXMN-LBPRGKRZSA-N 0 3 344.318 4.038 20 10 EICDHN CSC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000814178897 1047869269 /nfs/dbraw/zinc/86/92/69/1047869269.db2.gz IAZQSNKYMUKXMN-LBPRGKRZSA-N 0 3 344.318 4.038 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCC(F)(F)C2)c1[O-] ZINC000814169932 1047872130 /nfs/dbraw/zinc/87/21/30/1047872130.db2.gz OOVCMJFIOMBUHT-NSHDSACASA-N 0 3 333.806 4.359 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cncc(Br)c1C ZINC000824649182 1047894647 /nfs/dbraw/zinc/89/46/47/1047894647.db2.gz AYYJIAOXWFHBAC-UHFFFAOYSA-N 0 3 349.272 4.270 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cncc(Br)c1C ZINC000824649182 1047894650 /nfs/dbraw/zinc/89/46/50/1047894650.db2.gz AYYJIAOXWFHBAC-UHFFFAOYSA-N 0 3 349.272 4.270 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1[O-] ZINC000808681069 1048033918 /nfs/dbraw/zinc/03/39/18/1048033918.db2.gz VYRQQTLKRYHWPV-AWEZNQCLSA-N 0 3 341.842 4.391 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2Cc3ccccc3C2)c1[O-] ZINC000808682007 1048036481 /nfs/dbraw/zinc/03/64/81/1048036481.db2.gz LHLWJFYUWYWYCP-CQSZACIVSA-N 0 3 330.859 4.020 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCNc2ccccn2)c1[O-] ZINC000808692446 1048039636 /nfs/dbraw/zinc/03/96/36/1048039636.db2.gz URFIQHHHTPAECS-AWEZNQCLSA-N 0 3 333.863 4.292 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1[O-] ZINC000808672698 1048045205 /nfs/dbraw/zinc/04/52/05/1048045205.db2.gz RKCVKWMZBFMJIH-PBHICJAKSA-N 0 3 348.874 4.435 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)c1[O-] ZINC000808715443 1048062221 /nfs/dbraw/zinc/06/22/21/1048062221.db2.gz FAEATSWVADKENI-CYBMUJFWSA-N 0 3 330.859 4.479 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)NCc2ccc3c(n2)CCCC3)c1O ZINC000808715443 1048062239 /nfs/dbraw/zinc/06/22/39/1048062239.db2.gz FAEATSWVADKENI-CYBMUJFWSA-N 0 3 330.859 4.479 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1[O-] ZINC000808715363 1048062417 /nfs/dbraw/zinc/06/24/17/1048062417.db2.gz KFCUEDOSBSRWIW-KUHUBIRLSA-N 0 3 333.859 4.302 20 10 EICDHN CC[N@H+](Cc1ccc(OC)c(C(F)(F)F)c1)Cc1ccccc1[O-] ZINC001143646345 1048134633 /nfs/dbraw/zinc/13/46/33/1048134633.db2.gz PCAIIWKNPDAYJN-UHFFFAOYSA-N 0 3 339.357 4.442 20 10 EICDHN CC[N@@H+](Cc1ccc(OC)c(C(F)(F)F)c1)Cc1ccccc1[O-] ZINC001143646345 1048134640 /nfs/dbraw/zinc/13/46/40/1048134640.db2.gz PCAIIWKNPDAYJN-UHFFFAOYSA-N 0 3 339.357 4.442 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c1[O-] ZINC000809655180 1048454897 /nfs/dbraw/zinc/45/48/97/1048454897.db2.gz CVUJXEWZQOFZOT-GOSISDBHSA-N 0 3 333.859 4.203 20 10 EICDHN C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809704178 1048486319 /nfs/dbraw/zinc/48/63/19/1048486319.db2.gz WMSDRLNCROIGNQ-DYESRHJHSA-N 0 3 336.479 4.118 20 10 EICDHN C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809704178 1048486337 /nfs/dbraw/zinc/48/63/37/1048486337.db2.gz WMSDRLNCROIGNQ-DYESRHJHSA-N 0 3 336.479 4.118 20 10 EICDHN COc1cccc(O)c1CN(CCc1ccccc1)Cc1ccncc1 ZINC000809736893 1048510146 /nfs/dbraw/zinc/51/01/46/1048510146.db2.gz MYDYIBZTAWRSQV-UHFFFAOYSA-N 0 3 348.446 4.041 20 10 EICDHN COc1cccc(CNCc2ccc(-c3ccc(F)cc3C)o2)c1O ZINC000809740467 1048513124 /nfs/dbraw/zinc/51/31/24/1048513124.db2.gz ZQTMUSDUJXXGMA-UHFFFAOYSA-N 0 3 341.382 4.398 20 10 EICDHN CN(C)c1ccc(CN(C)Cc2ccc(O)cc2)c(C(F)(F)F)c1 ZINC000809753938 1048519942 /nfs/dbraw/zinc/51/99/42/1048519942.db2.gz WUGDWALIXITUNR-UHFFFAOYSA-N 0 3 338.373 4.109 20 10 EICDHN Cc1cc(C)c([C@@H](C)NCc2cccc(OC(C)(C)C)n2)c(O)c1 ZINC000815600484 1048532677 /nfs/dbraw/zinc/53/26/77/1048532677.db2.gz UUWPFWBUNBPAEQ-OAHLLOKOSA-N 0 3 328.456 4.432 20 10 EICDHN CC(C)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815572235 1048533822 /nfs/dbraw/zinc/53/38/22/1048533822.db2.gz XVVJVFJRVUGURV-ICSRJNTNSA-N 0 3 327.468 4.063 20 10 EICDHN Cc1cc(Br)cc(CN[C@@H]2c3ccccc3O[C@@H]2C)c1O ZINC000809788513 1048534121 /nfs/dbraw/zinc/53/41/21/1048534121.db2.gz SLMDEUYEMYZRIU-BZNIZROVSA-N 0 3 348.240 4.075 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c1[O-] ZINC000809788513 1048534134 /nfs/dbraw/zinc/53/41/34/1048534134.db2.gz SLMDEUYEMYZRIU-BZNIZROVSA-N 0 3 348.240 4.075 20 10 EICDHN COC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])c1cccc(Cl)c1 ZINC000809792914 1048536234 /nfs/dbraw/zinc/53/62/34/1048536234.db2.gz KXYQNQLJWQNOBQ-INIZCTEOSA-N 0 3 340.250 4.485 20 10 EICDHN COC[C@H](NCc1cc(Cl)cc(C)c1O)c1cccc(Cl)c1 ZINC000809792914 1048536246 /nfs/dbraw/zinc/53/62/46/1048536246.db2.gz KXYQNQLJWQNOBQ-INIZCTEOSA-N 0 3 340.250 4.485 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1(CO)CCCC1 ZINC000815617740 1048544116 /nfs/dbraw/zinc/54/41/16/1048544116.db2.gz UQZPBALPZONLOX-HXUWFJFHSA-N 0 3 339.479 4.208 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000815618993 1048546926 /nfs/dbraw/zinc/54/69/26/1048546926.db2.gz ZJUWPZOBSITKQK-TYPHKJRUSA-N 0 3 339.479 4.207 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCSC1 ZINC000815622300 1048547841 /nfs/dbraw/zinc/54/78/41/1048547841.db2.gz RDAPQYFAANRENR-PKOBYXMFSA-N 0 3 327.493 4.409 20 10 EICDHN COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c(Cl)c1OC ZINC000815639044 1048565419 /nfs/dbraw/zinc/56/54/19/1048565419.db2.gz MJZPVFYFMFWVQT-ZDUSSCGKSA-N 0 3 349.858 4.265 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1[O-] ZINC000846111172 1048815689 /nfs/dbraw/zinc/81/56/89/1048815689.db2.gz SFTWWURCYAPNAC-SNVBAGLBSA-N 0 3 338.662 4.118 20 10 EICDHN COc1cccc([C@@H](C)NC2(c3ccc(F)cc3F)CCC2)c1O ZINC000846159540 1048825524 /nfs/dbraw/zinc/82/55/24/1048825524.db2.gz HINXJKHUIBWNIM-GFCCVEGCSA-N 0 3 333.378 4.409 20 10 EICDHN CCCCOc1ncccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816543093 1048826465 /nfs/dbraw/zinc/82/64/65/1048826465.db2.gz OBGCFJPNSVVRSI-UHFFFAOYSA-N 0 3 336.435 4.409 20 10 EICDHN COc1ccc(N2CCC(N[C@H](C)c3ccncc3Cl)CC2)cc1 ZINC000817574971 1049005446 /nfs/dbraw/zinc/00/54/46/1049005446.db2.gz STECBAWSLPHIMV-CQSZACIVSA-N 0 3 345.874 4.063 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1[O-] ZINC000817976331 1049074922 /nfs/dbraw/zinc/07/49/22/1049074922.db2.gz XVADVCAAQKEOIO-DLBZAZTESA-N 0 3 326.440 4.318 20 10 EICDHN CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000811510866 1049122648 /nfs/dbraw/zinc/12/26/48/1049122648.db2.gz QJFAFQZYLUKZDF-UXHICEINSA-N 0 3 328.500 4.066 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512382 1049122946 /nfs/dbraw/zinc/12/29/46/1049122946.db2.gz CJTPUNOUVIZNSD-LJQANCHMSA-N 0 3 344.458 4.182 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512382 1049122964 /nfs/dbraw/zinc/12/29/64/1049122964.db2.gz CJTPUNOUVIZNSD-LJQANCHMSA-N 0 3 344.458 4.182 20 10 EICDHN CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000811510868 1049124901 /nfs/dbraw/zinc/12/49/01/1049124901.db2.gz QJFAFQZYLUKZDF-WOJBJXKFSA-N 0 3 328.500 4.066 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCOc3c(OC)cccc32)cc1 ZINC000772987459 1049267014 /nfs/dbraw/zinc/26/70/14/1049267014.db2.gz WEUJALBJIMXORP-DNVCBOLYSA-N 0 3 340.467 4.326 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000813884578 1049831872 /nfs/dbraw/zinc/83/18/72/1049831872.db2.gz XGAOFNSCJUDCHC-CRAIPNDOSA-N 0 3 328.431 4.159 20 10 EICDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000823752627 1049874413 /nfs/dbraw/zinc/87/44/13/1049874413.db2.gz JFTXEDUVQVSQLR-CQSZACIVSA-N 0 3 336.204 4.071 20 10 EICDHN CCN(CC)c1ccc(CNCc2cn(C)nc2-c2ccccc2)cc1 ZINC001177328183 1050192511 /nfs/dbraw/zinc/19/25/11/1050192511.db2.gz JCCAJBADQMUWPX-UHFFFAOYSA-N 0 3 348.494 4.223 20 10 EICDHN C[C@H](Cc1ccc(F)cc1Cl)N1CCCc2cc(O)c(O)cc2C1 ZINC001172873602 1050212343 /nfs/dbraw/zinc/21/23/43/1050212343.db2.gz VLUYWKUTOOXRDI-GFCCVEGCSA-N 0 3 349.833 4.270 20 10 EICDHN CN(C)c1ccc(/C=C/CN[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC001177483282 1050221746 /nfs/dbraw/zinc/22/17/46/1050221746.db2.gz LJOWZHASXHETTM-GECPCNCSSA-N 0 3 340.442 4.408 20 10 EICDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC001177483284 1050222755 /nfs/dbraw/zinc/22/27/55/1050222755.db2.gz LJOWZHASXHETTM-MNKBLEIRSA-N 0 3 340.442 4.408 20 10 EICDHN CN(C)c1ccc(CNCc2ccc(SC(F)F)cc2)cc1F ZINC001177554220 1050240672 /nfs/dbraw/zinc/24/06/72/1050240672.db2.gz QJTRLJZDPCZUQG-UHFFFAOYSA-N 0 3 340.414 4.496 20 10 EICDHN [O-]c1cc2ccccc2cc1C[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173474770 1050457569 /nfs/dbraw/zinc/45/75/69/1050457569.db2.gz CIQHXOQNTQYIOH-UHFFFAOYSA-N 0 3 325.358 4.081 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1[O-] ZINC001179493849 1050711954 /nfs/dbraw/zinc/71/19/54/1050711954.db2.gz HALLAJNAAOKYIX-ZDUSSCGKSA-N 0 3 338.363 4.411 20 10 EICDHN C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001179878413 1050815202 /nfs/dbraw/zinc/81/52/02/1050815202.db2.gz PWLPTRVSSVGSJS-CQSZACIVSA-N 0 3 348.849 4.064 20 10 EICDHN C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC001179878410 1050815792 /nfs/dbraw/zinc/81/57/92/1050815792.db2.gz PWLPTRVSSVGSJS-AWEZNQCLSA-N 0 3 348.849 4.064 20 10 EICDHN COc1ccc(C[C@@H]2CCN2C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001180115665 1050890451 /nfs/dbraw/zinc/89/04/51/1050890451.db2.gz BMQLVOIZPJCJBF-FNEOHHHZSA-N 0 3 336.479 4.091 20 10 EICDHN CCc1cccc(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)c1O ZINC001180154802 1050902971 /nfs/dbraw/zinc/90/29/71/1050902971.db2.gz XQAVJOXADSLTKY-UZLBHIALSA-N 0 3 325.452 4.225 20 10 EICDHN COc1ccc2c(c1)[C@H](NCc1cc(C(C)C)ccc1O)CCO2 ZINC001180586825 1051043605 /nfs/dbraw/zinc/04/36/05/1051043605.db2.gz ZSGGCTNRFQESLT-GOSISDBHSA-N 0 3 327.424 4.138 20 10 EICDHN CCOc1cc2c(cc1C[NH2+][C@H](CC)c1ccccc1[O-])O[C@H](C)C2 ZINC000183349226 1051095716 /nfs/dbraw/zinc/09/57/16/1051095716.db2.gz LUUMCYPTQKMUHK-RDTXWAMCSA-N 0 3 341.451 4.355 20 10 EICDHN CCc1nn(C)cc1C[N@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000183443007 1051124353 /nfs/dbraw/zinc/12/43/53/1051124353.db2.gz KURFOOXCQHIBGL-UHFFFAOYSA-N 0 3 327.472 4.023 20 10 EICDHN CCc1nn(C)cc1C[N@@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000183443007 1051124363 /nfs/dbraw/zinc/12/43/63/1051124363.db2.gz KURFOOXCQHIBGL-UHFFFAOYSA-N 0 3 327.472 4.023 20 10 EICDHN Cc1cccc(CN(CC[NH+](C)C)Cc2c([O-])cc(C)cc2Cl)c1 ZINC001181496951 1051241154 /nfs/dbraw/zinc/24/11/54/1051241154.db2.gz ABGYQQKMIKGGEX-UHFFFAOYSA-N 0 3 346.902 4.226 20 10 EICDHN COc1cc(C)c(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c([O-])c1 ZINC001181671064 1051274781 /nfs/dbraw/zinc/27/47/81/1051274781.db2.gz ADQQJXBYHDFIQO-UHFFFAOYSA-N 0 3 341.451 4.320 20 10 EICDHN CC[C@@H](NCc1cc(-c2ccc(OC)cc2)no1)c1ccccc1O ZINC000775412768 1051279903 /nfs/dbraw/zinc/27/99/03/1051279903.db2.gz PVBQDUONKFNLMF-GOSISDBHSA-N 0 3 338.407 4.297 20 10 EICDHN CC[C@@H]([NH2+]Cc1cc(-c2ccc(OC)cc2)no1)c1ccccc1[O-] ZINC000775412768 1051279917 /nfs/dbraw/zinc/27/99/17/1051279917.db2.gz PVBQDUONKFNLMF-GOSISDBHSA-N 0 3 338.407 4.297 20 10 EICDHN CC[C@@H]([NH2+]CCc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1[O-] ZINC000775487585 1051565418 /nfs/dbraw/zinc/56/54/18/1051565418.db2.gz LBTURWONFQNSRN-OAQYLSRUSA-N 0 3 349.478 4.478 20 10 EICDHN CC[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccccc1[O-] ZINC000775496244 1051599672 /nfs/dbraw/zinc/59/96/72/1051599672.db2.gz IGCFTXMFQUDJPP-SXLOBPIMSA-N 0 3 329.415 4.492 20 10 EICDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000774483744 1051609864 /nfs/dbraw/zinc/60/98/64/1051609864.db2.gz LXGHNHVAAQCGMP-KGLIPLIRSA-N 0 3 345.874 4.084 20 10 EICDHN Cc1cccc(C)c1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774485396 1051613405 /nfs/dbraw/zinc/61/34/05/1051613405.db2.gz UXBYBGQHPMBMHL-IAGOWNOFSA-N 0 3 339.483 4.047 20 10 EICDHN Cc1ccc2c(CN[C@H](C)c3ccc(N(C)C)cc3)cc(=O)oc2c1 ZINC000774486711 1051614805 /nfs/dbraw/zinc/61/48/05/1051614805.db2.gz XFKAZPVOBFKAKN-OAHLLOKOSA-N 0 3 336.435 4.018 20 10 EICDHN CC[C@H](NCc1ccc(N(C)C)c(C)c1)c1cccc(OC)c1OC ZINC001175522380 1051648570 /nfs/dbraw/zinc/64/85/70/1051648570.db2.gz GGPQVOCCEBZPEV-SFHVURJKSA-N 0 3 342.483 4.319 20 10 EICDHN CC[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccccc1[O-] ZINC000775514091 1051661550 /nfs/dbraw/zinc/66/15/50/1051661550.db2.gz VTHCIRACBVUINX-MOPGFXCFSA-N 0 3 335.451 4.150 20 10 EICDHN CC[C@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775523910 1051699770 /nfs/dbraw/zinc/69/97/70/1051699770.db2.gz AYFARGCLTAKOLG-JKSUJKDBSA-N 0 3 339.357 4.185 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c1[O-] ZINC000763641751 1051700404 /nfs/dbraw/zinc/70/04/04/1051700404.db2.gz JKTNNWSFITWYDQ-UHFFFAOYSA-N 0 3 325.880 4.427 20 10 EICDHN Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c([O-])c1 ZINC001183137149 1051798120 /nfs/dbraw/zinc/79/81/20/1051798120.db2.gz PABFFKIBQKWOJE-IBGZPJMESA-N 0 3 338.451 4.016 20 10 EICDHN Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c([O-])c1 ZINC001183137149 1051798132 /nfs/dbraw/zinc/79/81/32/1051798132.db2.gz PABFFKIBQKWOJE-IBGZPJMESA-N 0 3 338.451 4.016 20 10 EICDHN CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1[O-] ZINC000775545236 1051798193 /nfs/dbraw/zinc/79/81/93/1051798193.db2.gz DHZVCQBTSBVTER-HNNXBMFYSA-N 0 3 334.803 4.237 20 10 EICDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775580486 1051885598 /nfs/dbraw/zinc/88/55/98/1051885598.db2.gz CHIOZNQTSOEEIH-CABCVRRESA-N 0 3 327.428 4.381 20 10 EICDHN C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cc(F)ccc1[O-] ZINC000184857272 1052265871 /nfs/dbraw/zinc/26/58/71/1052265871.db2.gz YASVDIZVIBMWPD-YOEHRIQHSA-N 0 3 332.419 4.002 20 10 EICDHN CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000184896584 1052296466 /nfs/dbraw/zinc/29/64/66/1052296466.db2.gz RNJFXPJVFXGCOR-RBZFPXEDSA-N 0 3 345.414 4.350 20 10 EICDHN Cc1ccc(O)c([C@H](C)NCc2cccnc2OC2CCCC2)c1 ZINC000185010219 1052360767 /nfs/dbraw/zinc/36/07/67/1052360767.db2.gz INAOLOFFXYSLQP-HNNXBMFYSA-N 0 3 326.440 4.268 20 10 EICDHN CCOc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1OCC ZINC000072670538 1052552507 /nfs/dbraw/zinc/55/25/07/1052552507.db2.gz VFIYUEOQNCCJJJ-INIZCTEOSA-N 0 3 342.483 4.401 20 10 EICDHN CCc1noc(CC)c1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185678638 1052677137 /nfs/dbraw/zinc/67/71/37/1052677137.db2.gz GPJPVPVGPVJGAT-ZDUSSCGKSA-N 0 3 328.456 4.235 20 10 EICDHN COc1ccsc1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000186114516 1052889662 /nfs/dbraw/zinc/88/96/62/1052889662.db2.gz LWYASCWUCBNTCJ-AWEZNQCLSA-N 0 3 348.537 4.161 20 10 EICDHN CCCC[N@H+](Cc1cccc(Br)n1)Cc1ccccc1[O-] ZINC000794542803 1053062888 /nfs/dbraw/zinc/06/28/88/1053062888.db2.gz AAOVHMFAAVRYGD-UHFFFAOYSA-N 0 3 349.272 4.352 20 10 EICDHN CCCC[N@@H+](Cc1cccc(Br)n1)Cc1ccccc1[O-] ZINC000794542803 1053062902 /nfs/dbraw/zinc/06/29/02/1053062902.db2.gz AAOVHMFAAVRYGD-UHFFFAOYSA-N 0 3 349.272 4.352 20 10 EICDHN CCN(CC)c1ccc(CNCc2cc(COC)cs2)cc1F ZINC000850128427 1053075704 /nfs/dbraw/zinc/07/57/04/1053075704.db2.gz BNTUBQGRMBNLTN-UHFFFAOYSA-N 0 3 336.476 4.170 20 10 EICDHN CCCN(Cc1nc2ccc(OC)cc2s1)Cc1ccccc1O ZINC000775610559 1053115084 /nfs/dbraw/zinc/11/50/84/1053115084.db2.gz QNZRRKLOWJFGHC-UHFFFAOYSA-N 0 3 342.464 4.423 20 10 EICDHN CC(C)[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000850362896 1053136419 /nfs/dbraw/zinc/13/64/19/1053136419.db2.gz UGFFSGBEPXCHIZ-OAQYLSRUSA-N 0 3 342.458 4.149 20 10 EICDHN Cc1cc(Br)c(CNCc2cc(C)c(C)cc2O)s1 ZINC000850380534 1053152297 /nfs/dbraw/zinc/15/22/97/1053152297.db2.gz INXVZXQFVUESQL-UHFFFAOYSA-N 0 3 340.286 4.431 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000850404310 1053172865 /nfs/dbraw/zinc/17/28/65/1053172865.db2.gz GIEWVBDZCQYLOD-UHFFFAOYSA-N 0 3 347.405 4.089 20 10 EICDHN COC[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])c1cccc(OC)c1 ZINC000850513007 1053269420 /nfs/dbraw/zinc/26/94/20/1053269420.db2.gz CFBLQAVSAGRIRJ-FZKQIMNGSA-N 0 3 349.858 4.401 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCO[C@H]1CC1(F)F ZINC000850520707 1053277491 /nfs/dbraw/zinc/27/74/91/1053277491.db2.gz GOPAKSKUPQAWDU-HKUYNNGSSA-N 0 3 347.405 4.080 20 10 EICDHN COc1ccc(O)c(CN(C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000775643022 1053306053 /nfs/dbraw/zinc/30/60/53/1053306053.db2.gz LGQALBSHHFVZRF-UHFFFAOYSA-N 0 3 326.223 4.340 20 10 EICDHN COCC[N@H+](Cc1cccs1)Cc1cc(Cl)cc(C)c1[O-] ZINC000775644156 1053310798 /nfs/dbraw/zinc/31/07/98/1053310798.db2.gz DVJFRAPRLPLPFR-UHFFFAOYSA-N 0 3 325.861 4.064 20 10 EICDHN COCC[N@@H+](Cc1cccs1)Cc1cc(Cl)cc(C)c1[O-] ZINC000775644156 1053310813 /nfs/dbraw/zinc/31/08/13/1053310813.db2.gz DVJFRAPRLPLPFR-UHFFFAOYSA-N 0 3 325.861 4.064 20 10 EICDHN COCCN(Cc1cccs1)Cc1cc(Cl)cc(C)c1O ZINC000775644156 1053310827 /nfs/dbraw/zinc/31/08/27/1053310827.db2.gz DVJFRAPRLPLPFR-UHFFFAOYSA-N 0 3 325.861 4.064 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000850558955 1053316348 /nfs/dbraw/zinc/31/63/48/1053316348.db2.gz YCTMMQUTZJVWLP-GTNSWQLSSA-N 0 3 340.250 4.392 20 10 EICDHN Cc1ccc([C@H](C)NCc2cc(F)ccc2OC(F)F)c(O)c1 ZINC000850570282 1053325127 /nfs/dbraw/zinc/32/51/27/1053325127.db2.gz SZZFJKYZMOICIC-NSHDSACASA-N 0 3 325.330 4.292 20 10 EICDHN COc1cc(Br)cc([C@@H](C)[NH2+]C2CC(C)(C)C2)c1[O-] ZINC000850575590 1053330308 /nfs/dbraw/zinc/33/03/08/1053330308.db2.gz ADUJAJAETZGLNI-SECBINFHSA-N 0 3 328.250 4.003 20 10 EICDHN C[C@H](O)[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850584373 1053335023 /nfs/dbraw/zinc/33/50/23/1053335023.db2.gz QWHBIDRJBZAIST-NPPFBWRTSA-N 0 3 338.495 4.450 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1[O-] ZINC000794803147 1053397206 /nfs/dbraw/zinc/39/72/06/1053397206.db2.gz QPPKRNHFVCOHLO-PZJWPPBQSA-N 0 3 343.467 4.262 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN(c2cccc(OC)c2)C1)c1ccc(C)cc1[O-] ZINC000794807028 1053401012 /nfs/dbraw/zinc/40/10/12/1053401012.db2.gz JFEVQCHOQPFVJY-UZLBHIALSA-N 0 3 340.467 4.029 20 10 EICDHN CC[C@@H]([NH2+]CCc1cc(OC)ccc1OC)c1ccc(C)cc1[O-] ZINC000794806704 1053402626 /nfs/dbraw/zinc/40/26/26/1053402626.db2.gz VMEPKHMBMCCBQQ-GOSISDBHSA-N 0 3 329.440 4.001 20 10 EICDHN CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C)cc1[O-] ZINC000794806034 1053405702 /nfs/dbraw/zinc/40/57/02/1053405702.db2.gz ZQSBFHQCQYIQFT-JXFKEZNVSA-N 0 3 342.458 4.407 20 10 EICDHN CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccc(C)cc1[O-] ZINC000794815130 1053421783 /nfs/dbraw/zinc/42/17/83/1053421783.db2.gz GKNQICPJVLNDPE-HXUWFJFHSA-N 0 3 335.451 4.436 20 10 EICDHN CC[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1[O-] ZINC000794814640 1053423985 /nfs/dbraw/zinc/42/39/85/1053423985.db2.gz HGDVVMLMJCXZMV-IRXDYDNUSA-N 0 3 348.487 4.045 20 10 EICDHN CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794812346 1053427995 /nfs/dbraw/zinc/42/79/95/1053427995.db2.gz WCOIGSOCNZFLIC-CCKFTAQKSA-N 0 3 331.431 4.393 20 10 EICDHN CC[C@H](N[C@H](COC)c1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794816616 1053431572 /nfs/dbraw/zinc/43/15/72/1053431572.db2.gz LOURPKNANSQJQD-ZWKOTPCHSA-N 0 3 335.394 4.407 20 10 EICDHN CC[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(C)cc1[O-] ZINC000794817710 1053432038 /nfs/dbraw/zinc/43/20/38/1053432038.db2.gz VDCSQXMZDVIFKD-IEBWSBKVSA-N 0 3 333.859 4.302 20 10 EICDHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1cccc(C)c1O ZINC000775662672 1053437307 /nfs/dbraw/zinc/43/73/07/1053437307.db2.gz VOQJOPWGICRPIA-UHFFFAOYSA-N 0 3 349.478 4.444 20 10 EICDHN CC[C@H]([NH2+][C@@H](CCCOC)Cc1ccccc1)c1ccccc1[O-] ZINC000794822226 1053438254 /nfs/dbraw/zinc/43/82/54/1053438254.db2.gz AZMDOIJSCZRASH-ICSRJNTNSA-N 0 3 327.468 4.471 20 10 EICDHN C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000794827580 1053439725 /nfs/dbraw/zinc/43/97/25/1053439725.db2.gz KXMJLTBMFQSIDQ-WBVHZDCISA-N 0 3 344.886 4.218 20 10 EICDHN C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000794836471 1053478802 /nfs/dbraw/zinc/47/88/02/1053478802.db2.gz OMAJOLMOAHAZHC-HIFPTAJRSA-N 0 3 343.298 4.367 20 10 EICDHN CCOc1ccc(O)c(CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000120547583 1053496186 /nfs/dbraw/zinc/49/61/86/1053496186.db2.gz XNCNVYIBTIFTOD-QGZVFWFLSA-N 0 3 347.480 4.034 20 10 EICDHN CC[C@H](CC(F)F)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851841915 1053523197 /nfs/dbraw/zinc/52/31/97/1053523197.db2.gz ZUMARYQPOJIVDK-GDBMZVCRSA-N 0 3 327.415 4.055 20 10 EICDHN CC[C@H](CC(F)F)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851841915 1053523208 /nfs/dbraw/zinc/52/32/08/1053523208.db2.gz ZUMARYQPOJIVDK-GDBMZVCRSA-N 0 3 327.415 4.055 20 10 EICDHN CC[C@H](NCc1ccc2c(c1)CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000765478952 1053561463 /nfs/dbraw/zinc/56/14/63/1053561463.db2.gz HAAFHCNQPITHJS-IBGZPJMESA-N 0 3 339.439 4.218 20 10 EICDHN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(N(C)C)c(F)c1 ZINC000765476586 1053562863 /nfs/dbraw/zinc/56/28/63/1053562863.db2.gz XYQCXXSBGQPGHG-SFHVURJKSA-N 0 3 328.431 4.204 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(F)cc1N(C)C ZINC000765483037 1053568737 /nfs/dbraw/zinc/56/87/37/1053568737.db2.gz XDUDUEMJIKOKSF-HNNXBMFYSA-N 0 3 341.474 4.125 20 10 EICDHN CC[C@H](NCc1ccc(N(C)C)cc1)c1cccc(OC)c1OC ZINC000865759054 1053585991 /nfs/dbraw/zinc/58/59/91/1053585991.db2.gz SAIMKKLIXUDCFT-SFHVURJKSA-N 0 3 328.456 4.011 20 10 EICDHN CCN(CC)c1ccc(CNCc2cnccc2C(F)(F)F)cc1 ZINC000853094328 1053645035 /nfs/dbraw/zinc/64/50/35/1053645035.db2.gz BEHJMYXRHANNPM-UHFFFAOYSA-N 0 3 337.389 4.236 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000853239983 1053656301 /nfs/dbraw/zinc/65/63/01/1053656301.db2.gz FDDRXGIEXVMCBE-NOZJJQNGSA-N 0 3 340.320 4.283 20 10 EICDHN Cc1cccc(CN(CCO)Cc2ccc(Cl)c(Cl)c2)c1O ZINC000775727359 1053697011 /nfs/dbraw/zinc/69/70/11/1053697011.db2.gz CSBJFTAEUWPNBL-UHFFFAOYSA-N 0 3 340.250 4.002 20 10 EICDHN CC[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000866408755 1053717219 /nfs/dbraw/zinc/71/72/19/1053717219.db2.gz DEZKNBKDDUKTJP-IRXDYDNUSA-N 0 3 337.822 4.349 20 10 EICDHN C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000866409636 1053719131 /nfs/dbraw/zinc/71/91/31/1053719131.db2.gz PIERJMVODPBNGM-QFYYESIMSA-N 0 3 341.785 4.098 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccc(C)cc1[O-] ZINC000866423248 1053729302 /nfs/dbraw/zinc/72/93/02/1053729302.db2.gz YKFLJNXVGCSAAD-LJQANCHMSA-N 0 3 341.451 4.161 20 10 EICDHN CCCC(=O)Nc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921536891 1053736914 /nfs/dbraw/zinc/73/69/14/1053736914.db2.gz KZWSLCWMMABOTJ-UHFFFAOYSA-N 0 3 338.451 4.040 20 10 EICDHN C[C@@H](NCc1ccccc1C(=O)OC(C)(C)C)c1ccccc1O ZINC000866483015 1053747857 /nfs/dbraw/zinc/74/78/57/1053747857.db2.gz BGUAMKDBFHAZGF-CQSZACIVSA-N 0 3 327.424 4.198 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1cccc(OC)c1OC ZINC000866508835 1053759648 /nfs/dbraw/zinc/75/96/48/1053759648.db2.gz SBCOIAMUAMXBOZ-MLGOLLRUSA-N 0 3 333.403 4.350 20 10 EICDHN CCOc1ccc(O)c(CN(C)Cc2ccccc2N2CCCC2)c1 ZINC000121240745 1053827004 /nfs/dbraw/zinc/82/70/04/1053827004.db2.gz AVSMCYYGUCAZDI-UHFFFAOYSA-N 0 3 340.467 4.023 20 10 EICDHN C[C@@H](NCc1cc(F)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000776799968 1053892383 /nfs/dbraw/zinc/89/23/83/1053892383.db2.gz PBYYLFTUBJUBLN-CQSZACIVSA-N 0 3 348.849 4.167 20 10 EICDHN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000122437382 1053963601 /nfs/dbraw/zinc/96/36/01/1053963601.db2.gz PEIQRZACXAQLNZ-QGZVFWFLSA-N 0 3 346.446 4.150 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122727575 1054028563 /nfs/dbraw/zinc/02/85/63/1054028563.db2.gz WZXLUKOQOWNSFB-OAHLLOKOSA-N 0 3 327.428 4.128 20 10 EICDHN C[C@H](NCC(=O)Nc1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000775835078 1054114169 /nfs/dbraw/zinc/11/41/69/1054114169.db2.gz DVUVVDZGXOCINQ-INIZCTEOSA-N 0 3 347.462 4.195 20 10 EICDHN C[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000123610132 1054212159 /nfs/dbraw/zinc/21/21/59/1054212159.db2.gz UIDUFMLIPZTGQT-GCJKJVERSA-N 0 3 338.495 4.451 20 10 EICDHN CC[C@H](NCc1nc(-c2ccncc2)cs1)c1ccc(C)cc1O ZINC000872122296 1054400434 /nfs/dbraw/zinc/40/04/34/1054400434.db2.gz USOMGNIDZOSXDR-INIZCTEOSA-N 0 3 339.464 4.460 20 10 EICDHN CCOCc1cc(CN[C@@H]2CCCOc3ccccc32)ccc1OC ZINC001199972161 1054508153 /nfs/dbraw/zinc/50/81/53/1054508153.db2.gz MIIFHPZXRBCASS-LJQANCHMSA-N 0 3 341.451 4.235 20 10 EICDHN C[C@@H](NCc1ccc[nH]c1=O)c1ccc(N2CCCCCC2)cc1 ZINC000858562735 1054516633 /nfs/dbraw/zinc/51/66/33/1054516633.db2.gz LYRHUKACKMFIMR-MRXNPFEDSA-N 0 3 325.456 4.018 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2csc(C(F)(F)F)c2)c1 ZINC000858563364 1054518186 /nfs/dbraw/zinc/51/81/86/1054518186.db2.gz OZUKXRIJADDIRZ-SECBINFHSA-N 0 3 331.359 4.332 20 10 EICDHN CCOCc1cc(CN[C@H]2CCc3c2cccc3OC)ccc1OC ZINC001201132882 1054678143 /nfs/dbraw/zinc/67/81/43/1054678143.db2.gz AXNVKMFBVFCLOG-IBGZPJMESA-N 0 3 341.451 4.017 20 10 EICDHN CN(C)Cc1cccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)c1 ZINC001201392804 1054788733 /nfs/dbraw/zinc/78/87/33/1054788733.db2.gz PVCXMMCWKNJLMJ-JBUPZVEHSA-N 0 3 346.438 4.016 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@H]1CCCO1 ZINC000862213664 1055029894 /nfs/dbraw/zinc/02/98/94/1055029894.db2.gz RZHSFKWYNXCGQC-LJQANCHMSA-N 0 3 336.435 4.055 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc2[nH]ccc2c1)C[C@H]1CCCO1 ZINC000862213664 1055029907 /nfs/dbraw/zinc/02/99/07/1055029907.db2.gz RZHSFKWYNXCGQC-LJQANCHMSA-N 0 3 336.435 4.055 20 10 EICDHN C[C@@H]([NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000877757872 1055114944 /nfs/dbraw/zinc/11/49/44/1055114944.db2.gz XLQYOWFZQOVCRA-MMOPVJDHSA-N 0 3 336.479 4.411 20 10 EICDHN Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000877757078 1055115203 /nfs/dbraw/zinc/11/52/03/1055115203.db2.gz FKJHXJWDQOQBMK-HOTGVXAUSA-N 0 3 326.440 4.077 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)c2c1c(F)ccc2[O-] ZINC000765805987 1055409328 /nfs/dbraw/zinc/40/93/28/1055409328.db2.gz AZLHWHIXMKVLPS-KOXAJKMWSA-N 0 3 349.833 4.230 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCCC1CCOCC1)Cc1ccco1 ZINC000765931491 1056570294 /nfs/dbraw/zinc/57/02/94/1056570294.db2.gz GJEHDPBQIMKGAN-UHFFFAOYSA-N 0 3 329.440 4.194 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCCC1CCOCC1)Cc1ccco1 ZINC000765931491 1056570308 /nfs/dbraw/zinc/57/03/08/1056570308.db2.gz GJEHDPBQIMKGAN-UHFFFAOYSA-N 0 3 329.440 4.194 20 10 EICDHN COc1cc(Br)cc(C[NH2+][C@@H](C)C2CCCCC2)c1[O-] ZINC000742373036 1058598801 /nfs/dbraw/zinc/59/88/01/1058598801.db2.gz DOGBDTJYICETPY-NSHDSACASA-N 0 3 342.277 4.222 20 10 EICDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000743870498 1059188903 /nfs/dbraw/zinc/18/89/03/1059188903.db2.gz ULBUCZVBMCVUFI-OAHLLOKOSA-N 0 3 344.430 4.079 20 10 EICDHN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766401597 1060328272 /nfs/dbraw/zinc/32/82/72/1060328272.db2.gz SVEVOCAFTOYRQM-PGRDOPGGSA-N 0 3 338.495 4.370 20 10 EICDHN C[C@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO[C@@H]1C1CC1 ZINC000767196194 1061141184 /nfs/dbraw/zinc/14/11/84/1061141184.db2.gz TULWBZZAHJTPIU-FGZHOGPDSA-N 0 3 337.463 4.354 20 10 EICDHN COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])c(OC)c1 ZINC000529654558 1032512493 /nfs/dbraw/zinc/51/24/93/1032512493.db2.gz YOOOSTSMRCXZKJ-LBPRGKRZSA-N 0 3 335.831 4.222 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179582607 1032563509 /nfs/dbraw/zinc/56/35/09/1032563509.db2.gz NAPYVZXWIWCHFW-GFCCVEGCSA-N 0 3 342.386 4.247 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179582607 1032563520 /nfs/dbraw/zinc/56/35/20/1032563520.db2.gz NAPYVZXWIWCHFW-GFCCVEGCSA-N 0 3 342.386 4.247 20 10 EICDHN Cn1cc(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000274863837 1019802720 /nfs/dbraw/zinc/80/27/20/1019802720.db2.gz BZJCROJZRBSREX-NRFANRHFSA-N 0 3 349.478 4.022 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1[O-] ZINC000310661569 1021492293 /nfs/dbraw/zinc/49/22/93/1021492293.db2.gz ZIBKHRVTOSEILF-INMHGKMJSA-N 0 3 348.487 4.221 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCOc2c(OC)cc(C)cc21)c1ccccc1[O-] ZINC000376325912 1022167629 /nfs/dbraw/zinc/16/76/29/1022167629.db2.gz TYHPKXDQKCGMGX-IRXDYDNUSA-N 0 3 327.424 4.274 20 10 EICDHN CC[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccccc1[O-] ZINC000376323451 1022173087 /nfs/dbraw/zinc/17/30/87/1022173087.db2.gz IGNRTDSCROPSQR-SFHVURJKSA-N 0 3 330.497 4.159 20 10 EICDHN CCN(CC)c1ccc(CNCc2c(C)nn(C(C)C)c2C)cc1 ZINC000892614394 1022544462 /nfs/dbraw/zinc/54/44/62/1022544462.db2.gz IENMLIWONVGCAE-UHFFFAOYSA-N 0 3 328.504 4.217 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C)[C@H]2c2cccs2)c([O-])c1 ZINC000363859310 1022862180 /nfs/dbraw/zinc/86/21/80/1022862180.db2.gz FKKHRLIQFXSOSJ-QMTMVMCOSA-N 0 3 330.497 4.106 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2ccccc2OC2CCC2)c1 ZINC000186055575 1023094398 /nfs/dbraw/zinc/09/43/98/1023094398.db2.gz AXZDCWWSTRMNFV-AWEZNQCLSA-N 0 3 327.424 4.183 20 10 EICDHN C[C@H](Nc1cccc(CN2CCSCC2)c1)c1cc(F)ccc1O ZINC000186343060 1023117812 /nfs/dbraw/zinc/11/78/12/1023117812.db2.gz RXQDCDZXWGJFHN-AWEZNQCLSA-N 0 3 346.471 4.253 20 10 EICDHN CC[C@H]([NH2+]Cc1cccc(-c2nccn2C)c1)c1ccc(C)cc1[O-] ZINC000377092084 1023369821 /nfs/dbraw/zinc/36/98/21/1023369821.db2.gz GGLNVWJVXSBEKJ-IBGZPJMESA-N 0 3 335.451 4.342 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)Cc1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC000364348817 1023657685 /nfs/dbraw/zinc/65/76/85/1023657685.db2.gz VAXLWORGQMGNES-YOEHRIQHSA-N 0 3 337.423 4.114 20 10 EICDHN CC[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1cccs1)c1ccccc1[O-] ZINC000364364917 1023681700 /nfs/dbraw/zinc/68/17/00/1023681700.db2.gz ZKOUGUVHRKVHOG-URLQWDBASA-N 0 3 330.497 4.187 20 10 EICDHN CC[C@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccccc1[O-] ZINC000364374681 1023694108 /nfs/dbraw/zinc/69/41/08/1023694108.db2.gz UCMYLSMOGZYIRZ-SFHVURJKSA-N 0 3 330.497 4.159 20 10 EICDHN CC[C@@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccc(C)cc1[O-] ZINC000375647082 1025173308 /nfs/dbraw/zinc/17/33/08/1025173308.db2.gz BKSSLHZRYFBSOH-VMBOVVBDSA-N 0 3 329.444 4.159 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C)cc1[O-] ZINC000375657182 1025867340 /nfs/dbraw/zinc/86/73/40/1025867340.db2.gz LEJQAHXXRCQHBG-MOPGFXCFSA-N 0 3 338.451 4.239 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C)cc1[O-] ZINC000375657189 1025868090 /nfs/dbraw/zinc/86/80/90/1025868090.db2.gz LEJQAHXXRCQHBG-RTBURBONSA-N 0 3 338.451 4.239 20 10 EICDHN CCC[N@H+](Cc1ccc(OCOCC)cc1)Cc1ccccc1[O-] ZINC000783446892 1026458030 /nfs/dbraw/zinc/45/80/30/1026458030.db2.gz WKJGZTMLUUJWTP-UHFFFAOYSA-N 0 3 329.440 4.177 20 10 EICDHN CCC[N@@H+](Cc1ccc(OCOCC)cc1)Cc1ccccc1[O-] ZINC000783446892 1026458058 /nfs/dbraw/zinc/45/80/58/1026458058.db2.gz WKJGZTMLUUJWTP-UHFFFAOYSA-N 0 3 329.440 4.177 20 10 EICDHN COC1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000840791714 1029326669 /nfs/dbraw/zinc/32/66/69/1029326669.db2.gz CJQATEMVJWMAAF-LMWSTFAQSA-N 0 3 342.277 4.071 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCc3cccnc32)c1[O-] ZINC000897076141 1029348311 /nfs/dbraw/zinc/34/83/11/1029348311.db2.gz SMONOBHYZDGMSI-HNNXBMFYSA-N 0 3 347.256 4.025 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1c[nH]nc1-c1ccccc1F ZINC000475191240 1029395725 /nfs/dbraw/zinc/39/57/25/1029395725.db2.gz MYZCBIBPWGEAHN-UHFFFAOYSA-N 0 3 348.425 4.306 20 10 EICDHN COc1ccc(OC)c([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000193000937 1029655683 /nfs/dbraw/zinc/65/56/83/1029655683.db2.gz NBLIKNZOXXFDCY-LSDHHAIUSA-N 0 3 328.456 4.182 20 10 EICDHN Cc1noc([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)n1 ZINC000091832553 1029895714 /nfs/dbraw/zinc/89/57/14/1029895714.db2.gz QQUYVZWHNVQQRL-SFHVURJKSA-N 0 3 349.434 4.130 20 10 EICDHN Cc1noc([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)n1 ZINC000091832553 1029895719 /nfs/dbraw/zinc/89/57/19/1029895719.db2.gz QQUYVZWHNVQQRL-SFHVURJKSA-N 0 3 349.434 4.130 20 10 EICDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(Nc2nccs2)CC1 ZINC000189950942 1030525895 /nfs/dbraw/zinc/52/58/95/1030525895.db2.gz KVASZEHTIPQYLK-UHFFFAOYSA-N 0 3 339.464 4.078 20 10 EICDHN COc1cccc([C@H](C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)OC)c1 ZINC000527923433 1030919213 /nfs/dbraw/zinc/91/92/13/1030919213.db2.gz DBCQCTXPDVVGRG-IWEFOYFVSA-N 0 3 345.414 4.066 20 10 EICDHN Cc1ccnc(N)c1CNCc1ccc(N(C)C2CCCCC2)cc1 ZINC000894209457 1034781037 /nfs/dbraw/zinc/78/10/37/1034781037.db2.gz RXIWLNNYXZLAJI-UHFFFAOYSA-N 0 3 338.499 4.031 20 10 EICDHN CC[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccc(C)cc1[O-] ZINC000280263995 1035214781 /nfs/dbraw/zinc/21/47/81/1035214781.db2.gz XKLSLSYCEFVCNJ-LJQANCHMSA-N 0 3 338.451 4.068 20 10 EICDHN COc1cc(Cl)cc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1[O-] ZINC000761191370 1035996896 /nfs/dbraw/zinc/99/68/96/1035996896.db2.gz QAIHKNXIVJLMRH-UHFFFAOYSA-N 0 3 347.842 4.139 20 10 EICDHN [O-]c1ccccc1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000228408844 1036317680 /nfs/dbraw/zinc/31/76/80/1036317680.db2.gz ZXHCHPNTUITDBB-UHFFFAOYSA-N 0 3 332.241 4.191 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCc1ccc(Cl)nc1 ZINC000760699619 1036420069 /nfs/dbraw/zinc/42/00/69/1036420069.db2.gz ALODVZNBQRQNAO-UHFFFAOYSA-N 0 3 338.838 4.440 20 10 EICDHN CC[C@@H]([NH2+]CCc1ccc(Br)s1)c1ccccc1[O-] ZINC000229549568 1037241123 /nfs/dbraw/zinc/24/11/23/1037241123.db2.gz VHSXSJVKUNFJEL-CYBMUJFWSA-N 0 3 340.286 4.500 20 10 EICDHN COc1ccc(N2CCC(N[C@H](C)c3cccnc3Cl)CC2)cc1 ZINC000157389932 1037497392 /nfs/dbraw/zinc/49/73/92/1037497392.db2.gz ZQUOCXZSZVHSPR-CQSZACIVSA-N 0 3 345.874 4.063 20 10 EICDHN C[C@@H]([NH2+]CCc1ccc(Br)s1)c1cc(F)ccc1[O-] ZINC000230659479 1038224002 /nfs/dbraw/zinc/22/40/02/1038224002.db2.gz ABDCXUNCCFBEIE-SECBINFHSA-N 0 3 344.249 4.249 20 10 EICDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000174374840 1038924008 /nfs/dbraw/zinc/92/40/08/1038924008.db2.gz AUCYHHNCHUSEHY-HNNXBMFYSA-N 0 3 344.430 4.079 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCOc2c(Cl)cccc21 ZINC000766029566 1043055110 /nfs/dbraw/zinc/05/51/10/1043055110.db2.gz OAECXCFNRIKNJZ-SFHVURJKSA-N 0 3 330.859 4.328 20 10 EICDHN CCC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@H]1CCCCO1 ZINC000730255941 1043486415 /nfs/dbraw/zinc/48/64/15/1043486415.db2.gz NXMCPNOMCWSMRK-GOSISDBHSA-N 0 3 343.467 4.335 20 10 EICDHN CCC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@H]1CCCCO1 ZINC000730255941 1043486418 /nfs/dbraw/zinc/48/64/18/1043486418.db2.gz NXMCPNOMCWSMRK-GOSISDBHSA-N 0 3 343.467 4.335 20 10 EICDHN CC(C)COc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000733325860 1044189161 /nfs/dbraw/zinc/18/91/61/1044189161.db2.gz ZUUBHYWCPCBGER-UHFFFAOYSA-N 0 3 330.447 4.216 20 10 EICDHN C[C@@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1cc(F)ccc1[O-] ZINC000186520619 1044252317 /nfs/dbraw/zinc/25/23/17/1044252317.db2.gz MPSMBHMEKRCFNK-OAHLLOKOSA-N 0 3 345.414 4.096 20 10 EICDHN Cc1cccc(CN[C@H]2CCOc3c(Br)cccc32)c1O ZINC000282686366 1044376340 /nfs/dbraw/zinc/37/63/40/1044376340.db2.gz IPIDRAZMTZCXRM-HNNXBMFYSA-N 0 3 348.240 4.077 20 10 EICDHN C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000734845858 1044697538 /nfs/dbraw/zinc/69/75/38/1044697538.db2.gz JTEPRPKXWGJXJG-JTSKRJEESA-N 0 3 347.458 4.313 20 10 EICDHN CCCOc1ccc(CNCc2c[nH]c(=O)c3ccccc23)cc1C ZINC000922493069 1044780551 /nfs/dbraw/zinc/78/05/51/1044780551.db2.gz BWDRYQYLGJZBJJ-UHFFFAOYSA-N 0 3 336.435 4.327 20 10 EICDHN CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CCO2 ZINC000186694841 1045142003 /nfs/dbraw/zinc/14/20/03/1045142003.db2.gz INHUOLCGRHDUHJ-SJKOYZFVSA-N 0 3 331.387 4.104 20 10 EICDHN CCOc1ccc(CNCc2ccc(N(CC)CC)c(F)c2)cc1F ZINC000740005783 1045173886 /nfs/dbraw/zinc/17/38/86/1045173886.db2.gz FFKYBYHFZXVUDI-UHFFFAOYSA-N 0 3 348.437 4.500 20 10 EICDHN CCN(CC)c1ccc(CNCc2cc3ccccc3[nH]2)cc1F ZINC000740004415 1045174502 /nfs/dbraw/zinc/17/45/02/1045174502.db2.gz MRXAKLFCPBOARD-UHFFFAOYSA-N 0 3 325.431 4.443 20 10 EICDHN CCN(CC)c1ccc(CNCc2cc(C)c(O)c(C)c2)cc1F ZINC000740004698 1045174805 /nfs/dbraw/zinc/17/48/05/1045174805.db2.gz SLSQMSRPCXSAHB-UHFFFAOYSA-N 0 3 330.447 4.284 20 10 EICDHN CC[C@@H](N[C@@H]1CCOc2cc(OC)ccc21)c1ccc(N(C)C)cc1 ZINC000766184935 1045259262 /nfs/dbraw/zinc/25/92/62/1045259262.db2.gz AGDFWKJABQBDGG-WOJBJXKFSA-N 0 3 340.467 4.326 20 10 EICDHN COc1cccc(CN(C)Cc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000915803591 1045468473 /nfs/dbraw/zinc/46/84/73/1045468473.db2.gz IJXONRUYUKNGBB-UHFFFAOYSA-N 0 3 343.467 4.339 20 10 EICDHN [O-]c1ccc(Cl)c(F)c1CN[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000790950136 1045635037 /nfs/dbraw/zinc/63/50/37/1045635037.db2.gz VNWYKBXENQMDRV-KRWDZBQOSA-N 0 3 348.849 4.111 20 10 EICDHN COc1ccc(O)c(CNCc2ccc(-c3cccc(F)c3F)o2)c1 ZINC000790964261 1045639375 /nfs/dbraw/zinc/63/93/75/1045639375.db2.gz XHYZXMZLWDKVHZ-UHFFFAOYSA-N 0 3 345.345 4.229 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c([O-])c1 ZINC000768138155 1045725980 /nfs/dbraw/zinc/72/59/80/1045725980.db2.gz PIFXCWPOGHENMN-LJQANCHMSA-N 0 3 326.440 4.303 20 10 EICDHN CCOc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)c([O-])c1 ZINC000768138155 1045725995 /nfs/dbraw/zinc/72/59/95/1045725995.db2.gz PIFXCWPOGHENMN-LJQANCHMSA-N 0 3 326.440 4.303 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000768163404 1045728415 /nfs/dbraw/zinc/72/84/15/1045728415.db2.gz YVCCUROCCAYJEO-BOYDRYHPSA-N 0 3 341.426 4.226 20 10 EICDHN [O-]c1ccccc1C[N@H+](C/C=C\c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000768163404 1045728399 /nfs/dbraw/zinc/72/83/99/1045728399.db2.gz YVCCUROCCAYJEO-BOYDRYHPSA-N 0 3 341.426 4.226 20 10 EICDHN CCc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000768162610 1045729209 /nfs/dbraw/zinc/72/92/09/1045729209.db2.gz RXGJMFRNLQVCMB-MRXNPFEDSA-N 0 3 331.481 4.197 20 10 EICDHN CCc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000768162610 1045729226 /nfs/dbraw/zinc/72/92/26/1045729226.db2.gz RXGJMFRNLQVCMB-MRXNPFEDSA-N 0 3 331.481 4.197 20 10 EICDHN COc1cccc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1[O-] ZINC000769212745 1045895709 /nfs/dbraw/zinc/89/57/09/1045895709.db2.gz RJZSRGOSDUUKMV-GHTZIAJQSA-N 0 3 341.451 4.001 20 10 EICDHN COc1cccc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1[O-] ZINC000769212745 1045895713 /nfs/dbraw/zinc/89/57/13/1045895713.db2.gz RJZSRGOSDUUKMV-GHTZIAJQSA-N 0 3 341.451 4.001 20 10 EICDHN CCOc1ccc(CN[C@H](C)c2ccc(N(C)CC)cc2)cc1OC ZINC000153836624 1045898985 /nfs/dbraw/zinc/89/89/85/1045898985.db2.gz GDSPMNIBOMOASC-MRXNPFEDSA-N 0 3 342.483 4.401 20 10 EICDHN Cc1cccc2ncc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)n21 ZINC000769385042 1045944053 /nfs/dbraw/zinc/94/40/53/1045944053.db2.gz SEZWVAPOFFVBDA-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN Cc1cccc2ncc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)n21 ZINC000769385042 1045944063 /nfs/dbraw/zinc/94/40/63/1045944063.db2.gz SEZWVAPOFFVBDA-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN c1ccc2[nH]c(C3CN(Cc4ccc(N5CCCCC5)cc4)C3)nc2c1 ZINC000769481647 1045967824 /nfs/dbraw/zinc/96/78/24/1045967824.db2.gz WYJHDSSHUVOTPJ-UHFFFAOYSA-N 0 3 346.478 4.153 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@H]2CCCc3nc(CC)sc32)c([O-])c1 ZINC000769515434 1046006315 /nfs/dbraw/zinc/00/63/15/1046006315.db2.gz SLOXUNUDWCNSRU-INIZCTEOSA-N 0 3 346.496 4.319 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCCc3nc(CC)sc32)c([O-])c1 ZINC000769515434 1046006323 /nfs/dbraw/zinc/00/63/23/1046006323.db2.gz SLOXUNUDWCNSRU-INIZCTEOSA-N 0 3 346.496 4.319 20 10 EICDHN CN(C)c1ccc(C[N@H+](C)Cc2ccccc2[O-])c(C(F)(F)F)c1 ZINC000792789155 1046064606 /nfs/dbraw/zinc/06/46/06/1046064606.db2.gz VRZOYJLKYRVEFG-UHFFFAOYSA-N 0 3 338.373 4.109 20 10 EICDHN CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2[O-])c(C(F)(F)F)c1 ZINC000792789155 1046064623 /nfs/dbraw/zinc/06/46/23/1046064623.db2.gz VRZOYJLKYRVEFG-UHFFFAOYSA-N 0 3 338.373 4.109 20 10 EICDHN Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000747100457 1046137126 /nfs/dbraw/zinc/13/71/26/1046137126.db2.gz IHEYEBGIWZJXOV-NRFANRHFSA-N 0 3 333.431 4.191 20 10 EICDHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000770304392 1046176907 /nfs/dbraw/zinc/17/69/07/1046176907.db2.gz MOTXOHFRFVKEBS-NRFANRHFSA-N 0 3 338.499 4.056 20 10 EICDHN Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000770312040 1046177035 /nfs/dbraw/zinc/17/70/35/1046177035.db2.gz HQSRMBVRRLQWFZ-OAQYLSRUSA-N 0 3 347.462 4.438 20 10 EICDHN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000770312040 1046177039 /nfs/dbraw/zinc/17/70/39/1046177039.db2.gz HQSRMBVRRLQWFZ-OAQYLSRUSA-N 0 3 347.462 4.438 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000793270473 1046194046 /nfs/dbraw/zinc/19/40/46/1046194046.db2.gz SGMAMVIBGCHCTG-MAUKXSAKSA-N 0 3 329.415 4.356 20 10 EICDHN COc1ccc(C2CCC([NH2+]Cc3ccc(OC)cc3[O-])CC2)cc1 ZINC000793388070 1046229862 /nfs/dbraw/zinc/22/98/62/1046229862.db2.gz KJNXRTZPGXPZJM-UHFFFAOYSA-N 0 3 341.451 4.225 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H](C)c2cnc(OC)c(Cl)c2)cc1 ZINC000793526926 1046268500 /nfs/dbraw/zinc/26/85/00/1046268500.db2.gz ZHYPEYSUBGVTKG-AWEZNQCLSA-N 0 3 347.890 4.441 20 10 EICDHN Clc1cccc2c1OCCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000154194682 1046371718 /nfs/dbraw/zinc/37/17/18/1046371718.db2.gz JVRIBUKIBFAVMT-QGZVFWFLSA-N 0 3 329.827 4.278 20 10 EICDHN C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1cc(F)ccc1[O-] ZINC000788260367 1047147355 /nfs/dbraw/zinc/14/73/55/1047147355.db2.gz ZUJVDLRSCJTSSO-NSHDSACASA-N 0 3 325.330 4.026 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(C)cc1[O-] ZINC000806179777 1047200327 /nfs/dbraw/zinc/20/03/27/1047200327.db2.gz HKCIOBZLMQWBNS-MAUKXSAKSA-N 0 3 333.859 4.171 20 10 EICDHN CN(C)c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000788578465 1047237095 /nfs/dbraw/zinc/23/70/95/1047237095.db2.gz VABPLEFBWKBCSN-LJQANCHMSA-N 0 3 339.439 4.173 20 10 EICDHN CC[C@@H](NCc1cc(-c2cccc(OC)c2)no1)c1ccccc1O ZINC000897842839 1047494223 /nfs/dbraw/zinc/49/42/23/1047494223.db2.gz ZVYRQWYMZMROFB-GOSISDBHSA-N 0 3 338.407 4.297 20 10 EICDHN CC[C@@H]([NH2+]Cc1cc(-c2cccc(OC)c2)no1)c1ccccc1[O-] ZINC000897842839 1047494227 /nfs/dbraw/zinc/49/42/27/1047494227.db2.gz ZVYRQWYMZMROFB-GOSISDBHSA-N 0 3 338.407 4.297 20 10 EICDHN CCOc1ccc(O)c(CNCc2ccc(-c3ccco3)cc2F)c1 ZINC000790484558 1047595771 /nfs/dbraw/zinc/59/57/71/1047595771.db2.gz QLIVREJMZRZPNE-UHFFFAOYSA-N 0 3 341.382 4.480 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1F ZINC000898326971 1047618132 /nfs/dbraw/zinc/61/81/32/1047618132.db2.gz YLTIVNQJXHCJQX-HXUWFJFHSA-N 0 3 327.447 4.308 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1[O-] ZINC000154871169 1047725316 /nfs/dbraw/zinc/72/53/16/1047725316.db2.gz IWMVRKYCFWEKNB-ROUUACIJSA-N 0 3 328.456 4.253 20 10 EICDHN CCN(CC)c1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000808429736 1047944331 /nfs/dbraw/zinc/94/43/31/1047944331.db2.gz OEZMFVAIDHGZOY-HXUWFJFHSA-N 0 3 346.902 4.400 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1[O-] ZINC000808690131 1048038465 /nfs/dbraw/zinc/03/84/65/1048038465.db2.gz JRVKPQOFTZWXSW-LBPRGKRZSA-N 0 3 337.851 4.144 20 10 EICDHN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1OC ZINC000808673010 1048045455 /nfs/dbraw/zinc/04/54/55/1048045455.db2.gz VOTSDIYSRPQBRA-LBPRGKRZSA-N 0 3 335.831 4.222 20 10 EICDHN Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808673651 1048046476 /nfs/dbraw/zinc/04/64/76/1048046476.db2.gz RMWPJSHLOCQIBC-CYBMUJFWSA-N 0 3 343.858 4.363 20 10 EICDHN Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706291 1048051915 /nfs/dbraw/zinc/05/19/15/1048051915.db2.gz GQRGSZPJMQSXLV-RISCZKNCSA-N 0 3 325.861 4.108 20 10 EICDHN CCCOc1ccc(C[NH2+][C@H](CC)c2ccccc2[O-])cc1OC ZINC000155080840 1048052740 /nfs/dbraw/zinc/05/27/40/1048052740.db2.gz PGAAUBAXPDHLBX-QGZVFWFLSA-N 0 3 329.440 4.431 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1[O-] ZINC000808707374 1048053274 /nfs/dbraw/zinc/05/32/74/1048053274.db2.gz NJILKYAJSZFFQW-BMIGLBTASA-N 0 3 341.785 4.016 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000808699272 1048080837 /nfs/dbraw/zinc/08/08/37/1048080837.db2.gz COGXZZMBFVPWMO-LBPRGKRZSA-N 0 3 334.803 4.156 20 10 EICDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(N(C)C)c(C)c1)CCC2 ZINC000815069690 1048319868 /nfs/dbraw/zinc/31/98/68/1048319868.db2.gz FOGCYHGMTMCMJY-GOSISDBHSA-N 0 3 329.513 4.335 20 10 EICDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(N(C)C)c(C)c1)CCC2 ZINC000815069694 1048320175 /nfs/dbraw/zinc/32/01/75/1048320175.db2.gz FOGCYHGMTMCMJY-SFHVURJKSA-N 0 3 329.513 4.335 20 10 EICDHN CCN(C)c1ccc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000815114889 1048330403 /nfs/dbraw/zinc/33/04/03/1048330403.db2.gz VKIRCAIZVRZNGK-JKSUJKDBSA-N 0 3 327.299 4.158 20 10 EICDHN CCN(C)c1ccc(CN[C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000815120065 1048334458 /nfs/dbraw/zinc/33/44/58/1048334458.db2.gz NOULGHFKSLXONI-GOSISDBHSA-N 0 3 332.513 4.054 20 10 EICDHN C[C@@H](CO)[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1CCC1 ZINC000809664073 1048469645 /nfs/dbraw/zinc/46/96/45/1048469645.db2.gz ADLWCIRPFQSSAD-INIZCTEOSA-N 0 3 325.452 4.042 20 10 EICDHN C[C@@H](CO)[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1CCC1 ZINC000809664073 1048469657 /nfs/dbraw/zinc/46/96/57/1048469657.db2.gz ADLWCIRPFQSSAD-INIZCTEOSA-N 0 3 325.452 4.042 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1[O-] ZINC000809719081 1048497112 /nfs/dbraw/zinc/49/71/12/1048497112.db2.gz AYVYCOXGSSEOQS-UHFFFAOYSA-N 0 3 330.815 4.134 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000809748360 1048515319 /nfs/dbraw/zinc/51/53/19/1048515319.db2.gz PMSZAULFPWYRCA-QFIPXVFZSA-N 0 3 333.431 4.273 20 10 EICDHN CCC[C@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579924 1048520082 /nfs/dbraw/zinc/52/00/82/1048520082.db2.gz YPZBODYLXUBQNK-FPOVZHCZSA-N 0 3 327.468 4.207 20 10 EICDHN C[C@H]1CCCN1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815585171 1048523175 /nfs/dbraw/zinc/52/31/75/1048523175.db2.gz ZZFQUPUZZPGZBZ-GHTZIAJQSA-N 0 3 338.495 4.140 20 10 EICDHN CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000809766454 1048524356 /nfs/dbraw/zinc/52/43/56/1048524356.db2.gz XVWIGUOKNGYTKU-MRXNPFEDSA-N 0 3 349.272 4.441 20 10 EICDHN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000809766454 1048524365 /nfs/dbraw/zinc/52/43/65/1048524365.db2.gz XVWIGUOKNGYTKU-MRXNPFEDSA-N 0 3 349.272 4.441 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCCSC1 ZINC000809778913 1048530072 /nfs/dbraw/zinc/53/00/72/1048530072.db2.gz XQDPLPQGQAWWAN-QGZVFWFLSA-N 0 3 343.492 4.204 20 10 EICDHN C[C@H](CO)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815598892 1048532604 /nfs/dbraw/zinc/53/26/04/1048532604.db2.gz FSMQTTSUGMQETB-FXAWDEMLSA-N 0 3 327.468 4.064 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1[O-] ZINC000809790621 1048534756 /nfs/dbraw/zinc/53/47/56/1048534756.db2.gz MPEZPUXENCAJLC-QZTJIDSGSA-N 0 3 331.843 4.364 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000815615718 1048542618 /nfs/dbraw/zinc/54/26/18/1048542618.db2.gz VYSYRZMLTKBXRD-UYAOXDASSA-N 0 3 325.452 4.082 20 10 EICDHN Oc1ccccc1[C@@H](CCc1ccccc1)NCc1cccnc1F ZINC000815621812 1048548706 /nfs/dbraw/zinc/54/87/06/1048548706.db2.gz FFCFLXCLMXKIIK-LJQANCHMSA-N 0 3 336.410 4.390 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1cccnc1F ZINC000815621812 1048548721 /nfs/dbraw/zinc/54/87/21/1048548721.db2.gz FFCFLXCLMXKIIK-LJQANCHMSA-N 0 3 336.410 4.390 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1cc(F)ccc1[O-] ZINC000815647721 1048573333 /nfs/dbraw/zinc/57/33/33/1048573333.db2.gz SMMUZKQZNGDKJI-QWHCGFSZSA-N 0 3 343.377 4.268 20 10 EICDHN CC[C@@H]([NH2+]CCCn1ccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211682 1048680936 /nfs/dbraw/zinc/68/09/36/1048680936.db2.gz UYWUZZCLKZZTLY-OAHLLOKOSA-N 0 3 341.377 4.047 20 10 EICDHN CC[C@]1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])OCCc2ccccc21 ZINC000810242968 1048723779 /nfs/dbraw/zinc/72/37/79/1048723779.db2.gz JKZIZPNEZSPLKL-IIBYNOLFSA-N 0 3 325.452 4.229 20 10 EICDHN CC[C@@]1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])OCCc2ccccc21 ZINC000810242967 1048725123 /nfs/dbraw/zinc/72/51/23/1048725123.db2.gz JKZIZPNEZSPLKL-IERDGZPVSA-N 0 3 325.452 4.229 20 10 EICDHN CC[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(C)cc1[O-] ZINC000810253288 1048731676 /nfs/dbraw/zinc/73/16/76/1048731676.db2.gz QEUCVPIRDOMFIS-VQIMIIECSA-N 0 3 331.481 4.291 20 10 EICDHN C[N@H+](Cc1cc(Cl)cc(Br)c1)Cc1ccccc1[O-] ZINC001144689574 1048809151 /nfs/dbraw/zinc/80/91/51/1048809151.db2.gz CMHHIRSPKBTOSA-UHFFFAOYSA-N 0 3 340.648 4.440 20 10 EICDHN C[N@@H+](Cc1cc(Cl)cc(Br)c1)Cc1ccccc1[O-] ZINC001144689574 1048809162 /nfs/dbraw/zinc/80/91/62/1048809162.db2.gz CMHHIRSPKBTOSA-UHFFFAOYSA-N 0 3 340.648 4.440 20 10 EICDHN [O-]c1c(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)ccc2ccccc21 ZINC000816495615 1048815300 /nfs/dbraw/zinc/81/53/00/1048815300.db2.gz CLAIJLONAZRNNC-IBGZPJMESA-N 0 3 337.419 4.320 20 10 EICDHN [O-]c1c(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)ccc2ccccc21 ZINC000816495615 1048815307 /nfs/dbraw/zinc/81/53/07/1048815307.db2.gz CLAIJLONAZRNNC-IBGZPJMESA-N 0 3 337.419 4.320 20 10 EICDHN COc1cccc([C@@H](C)NCc2csc(Br)c2)c1O ZINC000846139713 1048830764 /nfs/dbraw/zinc/83/07/64/1048830764.db2.gz SIAWAOVBAUERND-SECBINFHSA-N 0 3 342.258 4.076 20 10 EICDHN Oc1ccc(-c2ccccc2)cc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816665932 1048852015 /nfs/dbraw/zinc/85/20/15/1048852015.db2.gz AJSCIFGLXYCICL-FCHUYYIVSA-N 0 3 335.447 4.203 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCc2ccc(Br)cc2C1)c1ccccc1[O-] ZINC001170855430 1048902912 /nfs/dbraw/zinc/90/29/12/1048902912.db2.gz ZBICCYDIBRYALX-BLLLJJGKSA-N 0 3 346.268 4.363 20 10 EICDHN Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cc(C)n1 ZINC000817590116 1049018297 /nfs/dbraw/zinc/01/82/97/1049018297.db2.gz TYUMSCLLICPUBG-CYBMUJFWSA-N 0 3 349.272 4.326 20 10 EICDHN COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC001171288929 1049063418 /nfs/dbraw/zinc/06/34/18/1049063418.db2.gz NYUCBTGKGPXJEM-QWHCGFSZSA-N 0 3 331.843 4.262 20 10 EICDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CCCN3)c2c1c(F)ccc2[O-] ZINC000817974913 1049074023 /nfs/dbraw/zinc/07/40/23/1049074023.db2.gz HKMGPBCVEJFTAQ-YVEFUNNKSA-N 0 3 326.415 4.228 20 10 EICDHN C[C@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(N(C)C)cc1 ZINC000817974856 1049074241 /nfs/dbraw/zinc/07/42/41/1049074241.db2.gz GRHBIOKLGIQPHP-LIRRHRJNSA-N 0 3 339.483 4.288 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)c([O-])c1 ZINC000817975082 1049075425 /nfs/dbraw/zinc/07/54/25/1049075425.db2.gz IIZJCPDIGIMAHY-GUYCJALGSA-N 0 3 326.440 4.236 20 10 EICDHN CCN(CC)c1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000811519456 1049105999 /nfs/dbraw/zinc/10/59/99/1049105999.db2.gz XWTNQVGETYERRW-VQTJNVASSA-N 0 3 328.500 4.066 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCOc3c(OC)cccc32)cc1 ZINC000772987461 1049266875 /nfs/dbraw/zinc/26/68/75/1049266875.db2.gz WEUJALBJIMXORP-KXBFYZLASA-N 0 3 340.467 4.326 20 10 EICDHN COc1ccc(Cl)c2c1C[C@H]([N@H+](C)Cc1ccccc1[O-])CC2 ZINC001171326845 1049288192 /nfs/dbraw/zinc/28/81/92/1049288192.db2.gz SFGOUWPBABZISO-CQSZACIVSA-N 0 3 331.843 4.044 20 10 EICDHN COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)Cc1ccccc1[O-])CC2 ZINC001171326845 1049288205 /nfs/dbraw/zinc/28/82/05/1049288205.db2.gz SFGOUWPBABZISO-CQSZACIVSA-N 0 3 331.843 4.044 20 10 EICDHN Cc1ccsc1[C@H](CO)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773050940 1049554464 /nfs/dbraw/zinc/55/44/64/1049554464.db2.gz VWMLSLMQKPJMMH-APWZRJJASA-N 0 3 344.524 4.431 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000812735924 1049557458 /nfs/dbraw/zinc/55/74/58/1049557458.db2.gz IEKANSBYKOVYMV-JKSUJKDBSA-N 0 3 328.431 4.017 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000812735918 1049557789 /nfs/dbraw/zinc/55/77/89/1049557789.db2.gz IEKANSBYKOVYMV-CVEARBPZSA-N 0 3 328.431 4.017 20 10 EICDHN C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773107935 1049584549 /nfs/dbraw/zinc/58/45/49/1049584549.db2.gz RKGLNTKMDZLTRG-GOEBONIOSA-N 0 3 344.421 4.031 20 10 EICDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])CC1CCOCC1 ZINC000179642956 1049701882 /nfs/dbraw/zinc/70/18/82/1049701882.db2.gz ICHPWUCNNYDRHE-KRWDZBQOSA-N 0 3 325.452 4.382 20 10 EICDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])CC1CCOCC1 ZINC000179642956 1049701899 /nfs/dbraw/zinc/70/18/99/1049701899.db2.gz ICHPWUCNNYDRHE-KRWDZBQOSA-N 0 3 325.452 4.382 20 10 EICDHN CN(Cc1cccs1)c1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000822520452 1049766985 /nfs/dbraw/zinc/76/69/85/1049766985.db2.gz BSKILSZPUFUNEE-UHFFFAOYSA-N 0 3 336.451 4.472 20 10 EICDHN CC[C@@H]1COC(C)(C)CN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001171777858 1049796850 /nfs/dbraw/zinc/79/68/50/1049796850.db2.gz HOERJOWHBGUERO-LJQANCHMSA-N 0 3 330.516 4.375 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)c2c1c(F)ccc2[O-] ZINC000813883502 1049831579 /nfs/dbraw/zinc/83/15/79/1049831579.db2.gz OEEGXYSDPAMCIK-XJKCOSOUSA-N 0 3 344.405 4.087 20 10 EICDHN Cc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000823671252 1049868521 /nfs/dbraw/zinc/86/85/21/1049868521.db2.gz KQOSDOXQAVIKCY-KBPBESRZSA-N 0 3 348.487 4.099 20 10 EICDHN Cc1ncsc1CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000823808002 1049876809 /nfs/dbraw/zinc/87/68/09/1049876809.db2.gz XCHCOJRKFQEWQL-UHFFFAOYSA-N 0 3 343.521 4.439 20 10 EICDHN CC1CCN(c2ccc(CNCc3cc4cccnc4o3)cc2)CC1 ZINC000823836286 1049879674 /nfs/dbraw/zinc/87/96/74/1049879674.db2.gz CZQZWFPLIJXQPO-UHFFFAOYSA-N 0 3 335.451 4.354 20 10 EICDHN C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1cccc(O)c1[O-] ZINC001172578763 1049951877 /nfs/dbraw/zinc/95/18/77/1049951877.db2.gz RKDONNYARWXRNC-SNVBAGLBSA-N 0 3 341.785 4.140 20 10 EICDHN COc1cc(C)c([C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1OC ZINC001177823159 1050298312 /nfs/dbraw/zinc/29/83/12/1050298312.db2.gz QWISNRRNXUBXLZ-AWEZNQCLSA-N 0 3 346.446 4.068 20 10 EICDHN CN(C)Cc1ccccc1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001173929409 1050650203 /nfs/dbraw/zinc/65/02/03/1050650203.db2.gz PTVJTUYYABIOGJ-JBUPZVEHSA-N 0 3 346.438 4.016 20 10 EICDHN CCc1cccc(CN2C[C@H](c3ccccc3C)OC[C@H]2C)c1O ZINC001180154801 1050902322 /nfs/dbraw/zinc/90/23/22/1050902322.db2.gz XQAVJOXADSLTKY-OXQOHEQNSA-N 0 3 325.452 4.225 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2cnccc21)C[C@@H]1CCCO1 ZINC000182960282 1050911515 /nfs/dbraw/zinc/91/15/15/1050911515.db2.gz FKAQSVVLWOIMGZ-FQEVSTJZSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc2cnccc21)C[C@@H]1CCCO1 ZINC000182960282 1050911529 /nfs/dbraw/zinc/91/15/29/1050911529.db2.gz FKAQSVVLWOIMGZ-FQEVSTJZSA-N 0 3 348.446 4.122 20 10 EICDHN CC(C)c1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000775328651 1051073934 /nfs/dbraw/zinc/07/39/34/1051073934.db2.gz NGBPATRGGQTDQD-UHFFFAOYSA-N 0 3 342.458 4.076 20 10 EICDHN Cc1c([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cnn1-c1ccc(F)cc1 ZINC000183466656 1051130665 /nfs/dbraw/zinc/13/06/65/1051130665.db2.gz LLOVQAHOFLFRLS-KGLIPLIRSA-N 0 3 339.414 4.437 20 10 EICDHN CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccn1 ZINC000183506477 1051137135 /nfs/dbraw/zinc/13/71/35/1051137135.db2.gz NFTOFERPBOKGCB-HOTGVXAUSA-N 0 3 328.456 4.451 20 10 EICDHN CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccn1 ZINC000183506508 1051137272 /nfs/dbraw/zinc/13/72/72/1051137272.db2.gz NFTOFERPBOKGCB-JKSUJKDBSA-N 0 3 328.456 4.451 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2c(Cl)ccc3cccnc32)c1 ZINC000775375196 1051157144 /nfs/dbraw/zinc/15/71/44/1051157144.db2.gz JWMVQAPVFHHWKA-GFCCVEGCSA-N 0 3 342.826 4.453 20 10 EICDHN CCN1CCN(c2ccc(N[C@@H](C)c3ccccc3O)c(C)c2)CC1 ZINC000183646366 1051222518 /nfs/dbraw/zinc/22/25/18/1051222518.db2.gz AMDQOCYDHFWNMG-KRWDZBQOSA-N 0 3 339.483 4.016 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@@H]1COC2(CCCCC2)O1)C1CCCC1 ZINC001190894672 1051300530 /nfs/dbraw/zinc/30/05/30/1051300530.db2.gz GYDZSCCGCSZBLW-LJQANCHMSA-N 0 3 345.483 4.213 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1COC2(CCCCC2)O1)C1CCCC1 ZINC001190894672 1051300536 /nfs/dbraw/zinc/30/05/36/1051300536.db2.gz GYDZSCCGCSZBLW-LJQANCHMSA-N 0 3 345.483 4.213 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(OC)c1)c1ccccc1[O-] ZINC000775485680 1051558569 /nfs/dbraw/zinc/55/85/69/1051558569.db2.gz ZBUYTLBIZQYBOU-CQSZACIVSA-N 0 3 337.366 4.243 20 10 EICDHN CC[C@H]([NH2+]CCc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1[O-] ZINC000775487584 1051564744 /nfs/dbraw/zinc/56/47/44/1051564744.db2.gz LBTURWONFQNSRN-NRFANRHFSA-N 0 3 349.478 4.478 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)c1ccccc1[O-] ZINC000775493276 1051592925 /nfs/dbraw/zinc/59/29/25/1051592925.db2.gz WWXNHDKHICSQSP-QGZVFWFLSA-N 0 3 329.440 4.429 20 10 EICDHN CC[C@H](OCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-])c1ccccc1 ZINC001182734609 1051691880 /nfs/dbraw/zinc/69/18/80/1051691880.db2.gz XKBIWUFSGWPZDL-KRWDZBQOSA-N 0 3 349.858 4.312 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000185107308 1052434470 /nfs/dbraw/zinc/43/44/70/1052434470.db2.gz YWJBHBJPBQHYBC-PBHICJAKSA-N 0 3 327.424 4.274 20 10 EICDHN Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])N2CCCC2)o1 ZINC000185298090 1052571332 /nfs/dbraw/zinc/57/13/32/1052571332.db2.gz YFKBLKYLNBDACB-AEFFLSMTSA-N 0 3 328.456 4.090 20 10 EICDHN COc1ccsc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000186114533 1052889877 /nfs/dbraw/zinc/88/98/77/1052889877.db2.gz LWYASCWUCBNTCJ-CQSZACIVSA-N 0 3 348.537 4.161 20 10 EICDHN COc1cc(CN[C@@H]2COCc3ccccc32)c(O)c(C(C)(C)C)c1 ZINC000850327626 1053117719 /nfs/dbraw/zinc/11/77/19/1053117719.db2.gz KRWHPQLZDRUIQZ-LJQANCHMSA-N 0 3 341.451 4.059 20 10 EICDHN C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)c1ccccc1[O-] ZINC000850484900 1053256865 /nfs/dbraw/zinc/25/68/65/1053256865.db2.gz UDAJRRDWZQRPID-LSDHHAIUSA-N 0 3 330.859 4.223 20 10 EICDHN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)c1ccccc1[O-] ZINC000850484897 1053257800 /nfs/dbraw/zinc/25/78/00/1053257800.db2.gz UDAJRRDWZQRPID-CABCVRRESA-N 0 3 330.859 4.223 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000850539222 1053301108 /nfs/dbraw/zinc/30/11/08/1053301108.db2.gz CCABCQWYWIREQR-RNCFNFMXSA-N 0 3 328.250 4.003 20 10 EICDHN CC(C)[C@H](O)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000850555154 1053309619 /nfs/dbraw/zinc/30/96/19/1053309619.db2.gz MKXDSMCGDLAVCV-JTVBXEMZSA-N 0 3 343.442 4.427 20 10 EICDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1[O-] ZINC000850554586 1053310552 /nfs/dbraw/zinc/31/05/52/1053310552.db2.gz COZGVQVICOPLEG-XXFAHNHDSA-N 0 3 344.213 4.222 20 10 EICDHN CC[C@H]([NH2+]CCc1cccc(OC)c1OC)c1ccc(C)cc1[O-] ZINC000794798597 1053383515 /nfs/dbraw/zinc/38/35/15/1053383515.db2.gz WJIWHJDLKTUCKA-KRWDZBQOSA-N 0 3 329.440 4.001 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C)cc1[O-] ZINC000794793387 1053388226 /nfs/dbraw/zinc/38/82/26/1053388226.db2.gz BEEURHIOASLZQU-KSSFIOAISA-N 0 3 338.451 4.387 20 10 EICDHN CC[C@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794803721 1053396920 /nfs/dbraw/zinc/39/69/20/1053396920.db2.gz SMOPEPSUZBLEQG-KXBFYZLASA-N 0 3 329.440 4.217 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(C)cc1[O-] ZINC000794808356 1053402797 /nfs/dbraw/zinc/40/27/97/1053402797.db2.gz AGPXOPQINGMCIY-RHSMWYFYSA-N 0 3 345.874 4.069 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(C)cc1[O-] ZINC000794808355 1053403557 /nfs/dbraw/zinc/40/35/57/1053403557.db2.gz AGPXOPQINGMCIY-PBHICJAKSA-N 0 3 345.874 4.069 20 10 EICDHN CC[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(C)cc1[O-] ZINC000794813990 1053422273 /nfs/dbraw/zinc/42/22/73/1053422273.db2.gz GFYKFGAOCLMJME-QGZVFWFLSA-N 0 3 337.423 4.034 20 10 EICDHN CC[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000794818548 1053431499 /nfs/dbraw/zinc/43/14/99/1053431499.db2.gz UAWXMYAWJUIYTP-AZUAARDMSA-N 0 3 325.452 4.255 20 10 EICDHN CC[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1ccc(C)cc1[O-] ZINC000794816866 1053432413 /nfs/dbraw/zinc/43/24/13/1053432413.db2.gz KZHIHIILOPKBSO-INIZCTEOSA-N 0 3 348.487 4.189 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccc(C)cc1[O-] ZINC000794820220 1053436344 /nfs/dbraw/zinc/43/63/44/1053436344.db2.gz ZFUFMIXCZDVWMP-DOTOQJQBSA-N 0 3 337.822 4.267 20 10 EICDHN Cc1cccc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000794827519 1053439708 /nfs/dbraw/zinc/43/97/08/1053439708.db2.gz JSNVTJZDCVYEMP-CYBMUJFWSA-N 0 3 349.272 4.060 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cnn(-c2ccccc2)c1 ZINC000765480178 1053561848 /nfs/dbraw/zinc/56/18/48/1053561848.db2.gz LGGORAOXZDKBHP-KRWDZBQOSA-N 0 3 346.478 4.106 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H](CC)c2cccc(OC)c2OC)c([O-])c1 ZINC000865759055 1053585613 /nfs/dbraw/zinc/58/56/13/1053585613.db2.gz SCRDFUJLBZKBOL-KRWDZBQOSA-N 0 3 345.439 4.049 20 10 EICDHN COc1ccccc1[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775712493 1053648552 /nfs/dbraw/zinc/64/85/52/1053648552.db2.gz CQCHJTDYMGVYMW-AWEZNQCLSA-N 0 3 331.843 4.352 20 10 EICDHN COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775712493 1053648559 /nfs/dbraw/zinc/64/85/59/1053648559.db2.gz CQCHJTDYMGVYMW-AWEZNQCLSA-N 0 3 331.843 4.352 20 10 EICDHN CC[C@H]1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000780754119 1053662017 /nfs/dbraw/zinc/66/20/17/1053662017.db2.gz MTSHSUAXACWXNJ-WMZOPIPTSA-N 0 3 329.440 4.193 20 10 EICDHN CC[C@H]1C[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000780754119 1053662023 /nfs/dbraw/zinc/66/20/23/1053662023.db2.gz MTSHSUAXACWXNJ-WMZOPIPTSA-N 0 3 329.440 4.193 20 10 EICDHN COc1cccc(C=C2CCN(Cc3cc(OC)ccc3O)CC2)c1 ZINC000775738916 1053730750 /nfs/dbraw/zinc/73/07/50/1053730750.db2.gz AJHNEZHUKLBMHO-UHFFFAOYSA-N 0 3 339.435 4.089 20 10 EICDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(OC(F)F)cc2F)c1 ZINC000866542093 1053778684 /nfs/dbraw/zinc/77/86/84/1053778684.db2.gz WHHWAIZWYQBNBS-LLVKDONJSA-N 0 3 325.330 4.292 20 10 EICDHN COc1ccc(N2CCN(CC[C@H]3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC001197104602 1053837638 /nfs/dbraw/zinc/83/76/38/1053837638.db2.gz ILQIPXGCUBUALG-ZWKOTPCHSA-N 0 3 346.515 4.042 20 10 EICDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)cc1C)CCCO2 ZINC000122666740 1054015380 /nfs/dbraw/zinc/01/53/80/1054015380.db2.gz FTNIWNRPLICYHT-FQEVSTJZSA-N 0 3 340.467 4.073 20 10 EICDHN COC(=O)/C(C)=C\CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776012071 1054445141 /nfs/dbraw/zinc/44/51/41/1054445141.db2.gz XUPRCAOSUFBHGT-VZVUQDNOSA-N 0 3 339.435 4.075 20 10 EICDHN Cc1oc(C(C)(C)C)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC001199732699 1054456003 /nfs/dbraw/zinc/45/60/03/1054456003.db2.gz RFCFWJQKLYAUGQ-UHFFFAOYSA-N 0 3 342.483 4.012 20 10 EICDHN CCCOc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000873098382 1054486452 /nfs/dbraw/zinc/48/64/52/1054486452.db2.gz PIUKYNYFWJCDAL-GYCJOSAFSA-N 0 3 345.508 4.372 20 10 EICDHN CCOc1ccc(O)c(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000873186273 1054505299 /nfs/dbraw/zinc/50/52/99/1054505299.db2.gz KSQJFIQINSAKNS-NSHDSACASA-N 0 3 340.345 4.056 20 10 EICDHN Cc1cc(CN[C@H]2CCCn3nccc32)c(C)n1-c1cccc(C)c1 ZINC000858541827 1054512459 /nfs/dbraw/zinc/51/24/59/1054512459.db2.gz DYSXQBHQNVOUPT-FQEVSTJZSA-N 0 3 334.467 4.224 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000858548948 1054514718 /nfs/dbraw/zinc/51/47/18/1054514718.db2.gz XRELNDZBCFCUMR-KAGYGMCKSA-N 0 3 337.463 4.223 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2ccns2)c1[O-] ZINC000858576501 1054521601 /nfs/dbraw/zinc/52/16/01/1054521601.db2.gz LPIDRYZJMRJGRM-UWVGGRQHSA-N 0 3 341.274 4.331 20 10 EICDHN Cc1cc(Br)cc([C@H](C)N[C@@H](C)c2ccns2)c1O ZINC000858576501 1054521614 /nfs/dbraw/zinc/52/16/14/1054521614.db2.gz LPIDRYZJMRJGRM-UWVGGRQHSA-N 0 3 341.274 4.331 20 10 EICDHN c1nc(-c2ccccc2)sc1CNCc1ccc2c(c1)CCCO2 ZINC001200872958 1054562905 /nfs/dbraw/zinc/56/29/05/1054562905.db2.gz XXRXANWQZMIIFO-UHFFFAOYSA-N 0 3 336.460 4.425 20 10 EICDHN COc1ccc(N2CCC(NC3(c4ccccc4F)CC3)CC2)cc1 ZINC000777064357 1054582475 /nfs/dbraw/zinc/58/24/75/1054582475.db2.gz OPWGNBXXKUMTII-UHFFFAOYSA-N 0 3 340.442 4.082 20 10 EICDHN Cc1ccc(OC(F)F)c(CNCc2ccc(N3CCCC3)cc2)c1 ZINC001201408007 1054779048 /nfs/dbraw/zinc/77/90/48/1054779048.db2.gz PBJFBNWQQBGYLN-UHFFFAOYSA-N 0 3 346.421 4.486 20 10 EICDHN O=c1[nH]ccc2oc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)cc21 ZINC000876721563 1054949621 /nfs/dbraw/zinc/94/96/21/1054949621.db2.gz JLJKHPVGMGUEDI-UHFFFAOYSA-N 0 3 338.407 4.184 20 10 EICDHN O=c1[nH]ccc2oc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)cc21 ZINC000876721563 1054949632 /nfs/dbraw/zinc/94/96/32/1054949632.db2.gz JLJKHPVGMGUEDI-UHFFFAOYSA-N 0 3 338.407 4.184 20 10 EICDHN CN1CCCc2cc(CNCc3cc4c(ccnc4Cl)o3)ccc21 ZINC000876986874 1054992537 /nfs/dbraw/zinc/99/25/37/1054992537.db2.gz MXYIKHURQOATTH-UHFFFAOYSA-N 0 3 341.842 4.153 20 10 EICDHN CC[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(N(C)C)cc1 ZINC000777234115 1055035270 /nfs/dbraw/zinc/03/52/70/1055035270.db2.gz HHHZPKWBHNCZTC-SFHVURJKSA-N 0 3 338.451 4.211 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C2CCC(OC(C)(C)C)CC2)c1[O-] ZINC000877683868 1055106763 /nfs/dbraw/zinc/10/67/63/1055106763.db2.gz LIDSJFYOIZVVHB-UHFFFAOYSA-N 0 3 341.879 4.270 20 10 EICDHN COc1sc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1Br ZINC000877757036 1055114493 /nfs/dbraw/zinc/11/44/93/1055114493.db2.gz BIPUFGATBWRWPF-VIFPVBQESA-N 0 3 342.258 4.076 20 10 EICDHN CC[C@@H](C)Oc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1OC ZINC000877757414 1055115150 /nfs/dbraw/zinc/11/51/50/1055115150.db2.gz ZLBDMYRQOPJHAT-CABCVRRESA-N 0 3 329.440 4.429 20 10 EICDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])c(O)c(C(C)(C)C)c1 ZINC000877755641 1055115229 /nfs/dbraw/zinc/11/52/29/1055115229.db2.gz JJNFWIJMWUAYDH-CYBMUJFWSA-N 0 3 329.440 4.255 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)c2c1c(F)ccc2[O-] ZINC000765819718 1055644456 /nfs/dbraw/zinc/64/44/56/1055644456.db2.gz WNNGFLAMBKPJJP-KOXAJKMWSA-N 0 3 349.833 4.230 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1Cc1ccccc1 ZINC000379641500 1059710584 /nfs/dbraw/zinc/71/05/84/1059710584.db2.gz DABPEDHBYNHZSV-LSTHTHJFSA-N 0 3 336.479 4.022 20 10 EICDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001169753910 1060941002 /nfs/dbraw/zinc/94/10/02/1060941002.db2.gz DEEOVMGUYGZYSR-GDBMZVCRSA-N 0 3 331.378 4.104 20 10 EICDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001169753910 1060941020 /nfs/dbraw/zinc/94/10/20/1060941020.db2.gz DEEOVMGUYGZYSR-GDBMZVCRSA-N 0 3 331.378 4.104 20 10 EICDHN COc1ccc([C@H](C)[NH2+]Cc2ccccc2[O-])cc1Br ZINC000037105858 525325847 /nfs/dbraw/zinc/32/58/47/525325847.db2.gz CCHKYKUUKGWSDZ-NSHDSACASA-N 0 3 336.229 4.014 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2ccsc2C(F)(F)F)c1 ZINC000529568549 1032460491 /nfs/dbraw/zinc/46/04/91/1032460491.db2.gz BNDZREMBTXIUJI-SECBINFHSA-N 0 3 331.359 4.332 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1[O-] ZINC000529644966 1032492289 /nfs/dbraw/zinc/49/22/89/1032492289.db2.gz RNIHEPZJUNOGPE-KRWDZBQOSA-N 0 3 332.831 4.080 20 10 EICDHN COc1cc(Cl)cc(CN[C@H](c2ccccn2)C2CCC2)c1O ZINC000529644966 1032492293 /nfs/dbraw/zinc/49/22/93/1032492293.db2.gz RNIHEPZJUNOGPE-KRWDZBQOSA-N 0 3 332.831 4.080 20 10 EICDHN Cc1ccc([C@@H](C)NCc2nc3cc(Cl)ccc3n2C)c(O)c1 ZINC000275093352 1020134244 /nfs/dbraw/zinc/13/42/44/1020134244.db2.gz ALMYRDBIALVDAK-GFCCVEGCSA-N 0 3 329.831 4.092 20 10 EICDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000177975262 1021835833 /nfs/dbraw/zinc/83/58/33/1021835833.db2.gz LYKWMRBRLBSVKZ-MRXNPFEDSA-N 0 3 341.474 4.343 20 10 EICDHN Cc1nn(C)cc1[C@@H](C)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000178140919 1022023371 /nfs/dbraw/zinc/02/33/71/1022023371.db2.gz BGUMLMXRZLXVKT-MRXNPFEDSA-N 0 3 340.515 4.348 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1[O-] ZINC000155839096 1022517132 /nfs/dbraw/zinc/51/71/32/1022517132.db2.gz GTNZANAZAMEABR-MLGOLLRUSA-N 0 3 333.403 4.350 20 10 EICDHN Cc1nn(-c2ccccc2)cc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000183200572 1022851571 /nfs/dbraw/zinc/85/15/71/1022851571.db2.gz LBGIUIPMFSMADF-INIZCTEOSA-N 0 3 334.467 4.098 20 10 EICDHN C[C@@H](c1cccc(Br)c1)N(C)Cc1cc(O)ccc1O ZINC001141163188 1023245905 /nfs/dbraw/zinc/24/59/05/1023245905.db2.gz UKWHFLCQNIFUCH-NSHDSACASA-N 0 3 336.229 4.053 20 10 EICDHN CC[C@@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)c1ccccc1[O-] ZINC000156329446 1023526782 /nfs/dbraw/zinc/52/67/82/1023526782.db2.gz FLRZKESLQNSVMX-OAHLLOKOSA-N 0 3 337.366 4.243 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1)c1ccccc1[O-] ZINC000156345419 1023580394 /nfs/dbraw/zinc/58/03/94/1023580394.db2.gz NBVUNGDCINQORV-MJGOQNOKSA-N 0 3 341.451 4.109 20 10 EICDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000377717558 1023709032 /nfs/dbraw/zinc/70/90/32/1023709032.db2.gz HVUWOUJYAQAQGS-LJQANCHMSA-N 0 3 343.442 4.052 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860063 1023746250 /nfs/dbraw/zinc/74/62/50/1023746250.db2.gz XGTXNMYWYRRYQG-GOSISDBHSA-N 0 3 337.822 4.130 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860063 1023746259 /nfs/dbraw/zinc/74/62/59/1023746259.db2.gz XGTXNMYWYRRYQG-GOSISDBHSA-N 0 3 337.822 4.130 20 10 EICDHN CCN(CC)c1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000326388516 1023823295 /nfs/dbraw/zinc/82/32/95/1023823295.db2.gz NSQQWUFPVZVYIJ-UHFFFAOYSA-N 0 3 327.428 4.039 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccccc1[O-] ZINC000156834322 1025666557 /nfs/dbraw/zinc/66/65/57/1025666557.db2.gz HCJBCHLSPRMISP-RTBURBONSA-N 0 3 327.468 4.235 20 10 EICDHN CC[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(C)cc1[O-] ZINC000375659462 1025897507 /nfs/dbraw/zinc/89/75/07/1025897507.db2.gz WNAFVRVPRSPLHD-FQEVSTJZSA-N 0 3 335.451 4.342 20 10 EICDHN COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)C2(C)C)c1O ZINC000318935276 1026532157 /nfs/dbraw/zinc/53/21/57/1026532157.db2.gz XXPWRCLLTMKCCX-GFCCVEGCSA-N 0 3 337.769 4.217 20 10 EICDHN COc1ccc(N2CCN(CC[C@@H]3CCC[C@H](C)C3)CC2)cc1F ZINC001168069353 1027541687 /nfs/dbraw/zinc/54/16/87/1027541687.db2.gz VETHRVHSLJAHFX-IRXDYDNUSA-N 0 3 334.479 4.173 20 10 EICDHN Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185676114 1030215124 /nfs/dbraw/zinc/21/51/24/1030215124.db2.gz SLXUHVBPFLQPEW-KBPBESRZSA-N 0 3 339.414 4.437 20 10 EICDHN CC[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1O ZINC000186626030 1030291993 /nfs/dbraw/zinc/29/19/93/1030291993.db2.gz CIXUNYUCYXSAQJ-QUCCMNQESA-N 0 3 339.414 4.095 20 10 EICDHN CCOc1ccc(CNC(C)(C)c2nc3ccccc3s2)c(O)c1 ZINC000527745364 1030840836 /nfs/dbraw/zinc/84/08/36/1030840836.db2.gz OYQDZGICSXESRA-UHFFFAOYSA-N 0 3 342.464 4.426 20 10 EICDHN Cn1cncc1C[N@H+](Cc1c([O-])ccc2ccccc21)C1CCCC1 ZINC000177064262 1031075409 /nfs/dbraw/zinc/07/54/09/1031075409.db2.gz LSUVGZNYNWUFJN-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN Cn1cncc1C[N@@H+](Cc1c([O-])ccc2ccccc21)C1CCCC1 ZINC000177064262 1031075423 /nfs/dbraw/zinc/07/54/23/1031075423.db2.gz LSUVGZNYNWUFJN-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC000179902007 1031585025 /nfs/dbraw/zinc/58/50/25/1031585025.db2.gz ZTAFPDQQAJRLFR-HWPZZCPQSA-N 0 3 326.223 4.083 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(C)cc1[O-] ZINC000280072068 1035154569 /nfs/dbraw/zinc/15/45/69/1035154569.db2.gz LCJRSNUARUAPOH-FQEVSTJZSA-N 0 3 335.451 4.186 20 10 EICDHN CC[C@H]([NH2+]Cc1cccc(OCCCOC)c1)c1ccc(C)cc1[O-] ZINC000280158854 1035189192 /nfs/dbraw/zinc/18/91/92/1035189192.db2.gz QOMXRVKXQSYXPJ-FQEVSTJZSA-N 0 3 343.467 4.357 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(C)cc1[O-] ZINC000280182483 1035197127 /nfs/dbraw/zinc/19/71/27/1035197127.db2.gz RSDRYKVIYCNANA-RDJZCZTQSA-N 0 3 335.513 4.186 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(C)cc1[O-] ZINC000280182478 1035197568 /nfs/dbraw/zinc/19/75/68/1035197568.db2.gz RSDRYKVIYCNANA-NVXWUHKLSA-N 0 3 335.513 4.186 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(C)cc1[O-] ZINC000280182471 1035197836 /nfs/dbraw/zinc/19/78/36/1035197836.db2.gz RSDRYKVIYCNANA-DOTOQJQBSA-N 0 3 335.513 4.186 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C)cc1[O-] ZINC000280227336 1035205816 /nfs/dbraw/zinc/20/58/16/1035205816.db2.gz VEDMQYQBKOFDCC-KBXCAEBGSA-N 0 3 338.451 4.021 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C)cc1[O-] ZINC000280229055 1035207048 /nfs/dbraw/zinc/20/70/48/1035207048.db2.gz VEDMQYQBKOFDCC-RDTXWAMCSA-N 0 3 338.451 4.021 20 10 EICDHN COc1cc(C)cc(CN(C)Cc2ccc(SC)c(OC)c2)c1O ZINC000164226559 1035999485 /nfs/dbraw/zinc/99/94/85/1035999485.db2.gz GFBBYXKCTUCELD-UHFFFAOYSA-N 0 3 347.480 4.072 20 10 EICDHN COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])cc1C ZINC000761194716 1036004012 /nfs/dbraw/zinc/00/40/12/1036004012.db2.gz GDDIGEDMNAIXKJ-UHFFFAOYSA-N 0 3 335.831 4.003 20 10 EICDHN COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])cc1C ZINC000761194716 1036004037 /nfs/dbraw/zinc/00/40/37/1036004037.db2.gz GDDIGEDMNAIXKJ-UHFFFAOYSA-N 0 3 335.831 4.003 20 10 EICDHN COc1ccc(CN(C)Cc2cc(Cl)cc(OC)c2O)cc1C ZINC000761194716 1036004059 /nfs/dbraw/zinc/00/40/59/1036004059.db2.gz GDDIGEDMNAIXKJ-UHFFFAOYSA-N 0 3 335.831 4.003 20 10 EICDHN CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761190560 1036006899 /nfs/dbraw/zinc/00/68/99/1036006899.db2.gz CYBUETGPGSDPMA-UHFFFAOYSA-N 0 3 335.831 4.085 20 10 EICDHN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761190560 1036006921 /nfs/dbraw/zinc/00/69/21/1036006921.db2.gz CYBUETGPGSDPMA-UHFFFAOYSA-N 0 3 335.831 4.085 20 10 EICDHN COc1ccc([C@H](C)[N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000761191802 1036009820 /nfs/dbraw/zinc/00/98/20/1036009820.db2.gz WGSHXGZGXQLMOB-LBPRGKRZSA-N 0 3 335.831 4.256 20 10 EICDHN COc1ccc([C@H](C)[N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000761191802 1036009844 /nfs/dbraw/zinc/00/98/44/1036009844.db2.gz WGSHXGZGXQLMOB-LBPRGKRZSA-N 0 3 335.831 4.256 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1[O-] ZINC000761200502 1036032109 /nfs/dbraw/zinc/03/21/09/1036032109.db2.gz UTYHZLKMLVGLTI-LBPRGKRZSA-N 0 3 335.806 4.183 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1[O-] ZINC000761200502 1036032127 /nfs/dbraw/zinc/03/21/27/1036032127.db2.gz UTYHZLKMLVGLTI-LBPRGKRZSA-N 0 3 335.806 4.183 20 10 EICDHN COc1cc(C)cc(CN[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000895137560 1043275753 /nfs/dbraw/zinc/27/57/53/1043275753.db2.gz NJBGYOCRULNQAN-MRXNPFEDSA-N 0 3 345.414 4.240 20 10 EICDHN CCN(C)c1ccccc1CNCc1ccc(N(CC)CC)cc1 ZINC000730109003 1043451677 /nfs/dbraw/zinc/45/16/77/1043451677.db2.gz ZPISOVNLBIVSFE-UHFFFAOYSA-N 0 3 325.500 4.279 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CCCC1 ZINC000732204979 1043887222 /nfs/dbraw/zinc/88/72/22/1043887222.db2.gz WRVHAHFEHBUZPV-HXUWFJFHSA-N 0 3 329.415 4.010 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CCCC1 ZINC000732204979 1043887223 /nfs/dbraw/zinc/88/72/23/1043887223.db2.gz WRVHAHFEHBUZPV-HXUWFJFHSA-N 0 3 329.415 4.010 20 10 EICDHN Cc1ccccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000733334622 1044198600 /nfs/dbraw/zinc/19/86/00/1044198600.db2.gz MZSLXQQURFVAAN-IBGZPJMESA-N 0 3 344.886 4.108 20 10 EICDHN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000494982811 1044570932 /nfs/dbraw/zinc/57/09/32/1044570932.db2.gz ACPDBPHUCXPCSJ-MRXNPFEDSA-N 0 3 349.478 4.039 20 10 EICDHN CCCN(CCC)c1ccc(CNCc2cnc3n2CCCC3)cc1 ZINC000790636962 1045548023 /nfs/dbraw/zinc/54/80/23/1045548023.db2.gz CHGNQFXLIFVYRA-UHFFFAOYSA-N 0 3 340.515 4.136 20 10 EICDHN Cc1c(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cccc1[N+](=O)[O-] ZINC000790696110 1045559030 /nfs/dbraw/zinc/55/90/30/1045559030.db2.gz RLPXITACCRPTNA-HZMBPMFUSA-N 0 3 330.359 4.086 20 10 EICDHN CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1C[C@@H](C)c3c1c([O-])ccc3F)CC2 ZINC000790697149 1045561013 /nfs/dbraw/zinc/56/10/13/1045561013.db2.gz KAQVFWDOWKEXRT-XPKDYRNWSA-N 0 3 343.446 4.004 20 10 EICDHN COc1ccc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2)cc1OC ZINC000768227781 1045758412 /nfs/dbraw/zinc/75/84/12/1045758412.db2.gz IUTLAQZATDQKPW-IBGZPJMESA-N 0 3 340.467 4.107 20 10 EICDHN C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000768293108 1045780514 /nfs/dbraw/zinc/78/05/14/1045780514.db2.gz LLISQQGBKSXIMO-LVXYXVKQSA-N 0 3 329.484 4.127 20 10 EICDHN CCC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccccc1[O-] ZINC000769201003 1045894171 /nfs/dbraw/zinc/89/41/71/1045894171.db2.gz NOBSLKVFBGGPSW-UHFFFAOYSA-N 0 3 329.488 4.373 20 10 EICDHN CCC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccccc1[O-] ZINC000769201003 1045894177 /nfs/dbraw/zinc/89/41/77/1045894177.db2.gz NOBSLKVFBGGPSW-UHFFFAOYSA-N 0 3 329.488 4.373 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c([O-])c1 ZINC000769319683 1045919164 /nfs/dbraw/zinc/91/91/64/1045919164.db2.gz WMFYQXYRQCWHPO-SFHVURJKSA-N 0 3 327.424 4.137 20 10 EICDHN CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c([O-])c1 ZINC000769319683 1045919182 /nfs/dbraw/zinc/91/91/82/1045919182.db2.gz WMFYQXYRQCWHPO-SFHVURJKSA-N 0 3 327.424 4.137 20 10 EICDHN CCOc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)c([O-])c1 ZINC000769384859 1045945840 /nfs/dbraw/zinc/94/58/40/1045945840.db2.gz PXUOXJQGGNWYFF-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN CCOc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c([O-])c1 ZINC000769384859 1045945857 /nfs/dbraw/zinc/94/58/57/1045945857.db2.gz PXUOXJQGGNWYFF-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN CCOC(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000769390523 1045949157 /nfs/dbraw/zinc/94/91/57/1045949157.db2.gz WNBMKWBNBUIURV-UHFFFAOYSA-N 0 3 343.423 4.107 20 10 EICDHN CCOC(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000769390523 1045949170 /nfs/dbraw/zinc/94/91/70/1045949170.db2.gz WNBMKWBNBUIURV-UHFFFAOYSA-N 0 3 343.423 4.107 20 10 EICDHN COc1ccc(CN[C@@H](C)c2cc(OC)c(OC)cc2C)cc1C ZINC000067690432 1045981406 /nfs/dbraw/zinc/98/14/06/1045981406.db2.gz KOMMEQOYFFLEDB-HNNXBMFYSA-N 0 3 329.440 4.180 20 10 EICDHN COc1cccc([O-])c1C[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000769462869 1045982035 /nfs/dbraw/zinc/98/20/35/1045982035.db2.gz LHHVMUFHBALTSW-AUUYWEPGSA-N 0 3 329.465 4.079 20 10 EICDHN COc1cccc([O-])c1C[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000769462869 1045982043 /nfs/dbraw/zinc/98/20/43/1045982043.db2.gz LHHVMUFHBALTSW-AUUYWEPGSA-N 0 3 329.465 4.079 20 10 EICDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000769512600 1046002612 /nfs/dbraw/zinc/00/26/12/1046002612.db2.gz KSEGUGGLXOXLAW-HNNXBMFYSA-N 0 3 329.465 4.015 20 10 EICDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000769512600 1046002597 /nfs/dbraw/zinc/00/25/97/1046002597.db2.gz KSEGUGGLXOXLAW-HNNXBMFYSA-N 0 3 329.465 4.015 20 10 EICDHN CCOc1ccc(O)c(CN2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000769531480 1046008437 /nfs/dbraw/zinc/00/84/37/1046008437.db2.gz BJSGELISPQMJGC-MRXNPFEDSA-N 0 3 347.842 4.098 20 10 EICDHN CCOc1cccc(CN(C)Cc2cccc(OC(C)C)c2)c1O ZINC000769538161 1046012505 /nfs/dbraw/zinc/01/25/05/1046012505.db2.gz UFJYHESETZZBKE-UHFFFAOYSA-N 0 3 329.440 4.210 20 10 EICDHN CCC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H](O)c1ccccc1 ZINC000793236110 1046181616 /nfs/dbraw/zinc/18/16/16/1046181616.db2.gz BPYZYLALKKCMNI-SJLPKXTDSA-N 0 3 349.858 4.046 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000793351989 1046224141 /nfs/dbraw/zinc/22/41/41/1046224141.db2.gz LJNSITSLLUWAEA-CRAIPNDOSA-N 0 3 329.415 4.356 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)c([O-])c1 ZINC000793386462 1046229675 /nfs/dbraw/zinc/22/96/75/1046229675.db2.gz RKECSSDDDSPSAR-UHFFFAOYSA-N 0 3 343.370 4.303 20 10 EICDHN Cc1c(CN(Cc2ccc(N(C)C)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000917074574 1046639235 /nfs/dbraw/zinc/63/92/35/1046639235.db2.gz ALTPQISDUTUXLL-UHFFFAOYSA-N 0 3 339.439 4.134 20 10 EICDHN COc1cccc([O-])c1C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000785560267 1046711024 /nfs/dbraw/zinc/71/10/24/1046711024.db2.gz QIOQHSUJFCZUQP-GFCCVEGCSA-N 0 3 339.357 4.313 20 10 EICDHN Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-])N(C)C ZINC000785574119 1046722819 /nfs/dbraw/zinc/72/28/19/1046722819.db2.gz YJGMFWIRPOIEHL-AVYPCKFXSA-N 0 3 330.447 4.182 20 10 EICDHN Cc1c([C@@H](C)NCc2ccc(N(C)C)cc2C)cnn1C(C)(C)C ZINC000786913302 1046880091 /nfs/dbraw/zinc/88/00/91/1046880091.db2.gz XBAMCCGFHVUWDW-OAHLLOKOSA-N 0 3 328.504 4.172 20 10 EICDHN Oc1ccccc1CN(Cc1cc(Cl)cs1)C[C@H]1CCCO1 ZINC000787047597 1046899004 /nfs/dbraw/zinc/89/90/04/1046899004.db2.gz AMSNRFJUPAMMOA-OAHLLOKOSA-N 0 3 337.872 4.288 20 10 EICDHN CCCN(Cc1cccc(C)c1O)[C@@H](C)C(=O)Nc1ccccc1C ZINC000787326218 1046993152 /nfs/dbraw/zinc/99/31/52/1046993152.db2.gz AQHTYEGPFNZPEJ-KRWDZBQOSA-N 0 3 340.467 4.248 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000806175146 1047160572 /nfs/dbraw/zinc/16/05/72/1047160572.db2.gz VUQGLNORIMOELC-SJCJKPOMSA-N 0 3 339.357 4.104 20 10 EICDHN CN(C)c1ccc(CN[C@H](c2ccncc2)C2CC2)c(C(F)(F)F)c1 ZINC000898322664 1047614471 /nfs/dbraw/zinc/61/44/71/1047614471.db2.gz PDRYEFYURNOINM-SFHVURJKSA-N 0 3 349.400 4.407 20 10 EICDHN CSC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000814178896 1047868076 /nfs/dbraw/zinc/86/80/76/1047868076.db2.gz IAZQSNKYMUKXMN-GFCCVEGCSA-N 0 3 344.318 4.038 20 10 EICDHN CSC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000814178896 1047868085 /nfs/dbraw/zinc/86/80/85/1047868085.db2.gz IAZQSNKYMUKXMN-GFCCVEGCSA-N 0 3 344.318 4.038 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000808425509 1047889037 /nfs/dbraw/zinc/88/90/37/1047889037.db2.gz FZWPIFOIBQWDDJ-NRFANRHFSA-N 0 3 343.490 4.064 20 10 EICDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](O)c1ccccc1 ZINC000808447462 1047910209 /nfs/dbraw/zinc/91/02/09/1047910209.db2.gz ZUUDELBDAGNZQJ-AOMKIAJQSA-N 0 3 333.431 4.271 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1[O-] ZINC000808691769 1048039721 /nfs/dbraw/zinc/03/97/21/1048039721.db2.gz RDPLQRLBFOAMSS-CYBMUJFWSA-N 0 3 347.842 4.366 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1[O-] ZINC000808686049 1048039898 /nfs/dbraw/zinc/03/98/98/1048039898.db2.gz FQJYFESZYARXSO-ZDUSSCGKSA-N 0 3 346.858 4.389 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1[O-] ZINC000808673374 1048044789 /nfs/dbraw/zinc/04/47/89/1048044789.db2.gz OBHVEICSYSZBAN-BDJLRTHQSA-N 0 3 340.250 4.392 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1[O-] ZINC000808674520 1048045009 /nfs/dbraw/zinc/04/50/09/1048045009.db2.gz UMNRLRXQUPHBQC-BLLLJJGKSA-N 0 3 338.904 4.369 20 10 EICDHN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808673250 1048047021 /nfs/dbraw/zinc/04/70/21/1048047021.db2.gz MJIMCVSVIZCNPZ-GFCCVEGCSA-N 0 3 332.831 4.163 20 10 EICDHN COCCOc1ccccc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808679525 1048049094 /nfs/dbraw/zinc/04/90/94/1048049094.db2.gz RVTVPAPDEFERIC-CQSZACIVSA-N 0 3 349.858 4.230 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000808706643 1048053314 /nfs/dbraw/zinc/05/33/14/1048053314.db2.gz PYFPFUDNDDQSTI-JDFRZJQESA-N 0 3 341.904 4.059 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c1[O-] ZINC000825197144 1048054672 /nfs/dbraw/zinc/05/46/72/1048054672.db2.gz SUBDESFWBXDWJO-UHFFFAOYSA-N 0 3 345.870 4.236 20 10 EICDHN CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000808725148 1048074021 /nfs/dbraw/zinc/07/40/21/1048074021.db2.gz NREMZFGOHNUSLG-LBPRGKRZSA-N 0 3 344.293 4.176 20 10 EICDHN CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1[O-] ZINC000808729258 1048093521 /nfs/dbraw/zinc/09/35/21/1048093521.db2.gz WXGGXYXHOPXAED-KRWDZBQOSA-N 0 3 339.395 4.065 20 10 EICDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)C(C)(C)C ZINC000808742334 1048099497 /nfs/dbraw/zinc/09/94/97/1048099497.db2.gz PVSWWFDWRLOLAK-JXFKEZNVSA-N 0 3 327.468 4.362 20 10 EICDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)C(C)(C)C ZINC000808742334 1048099507 /nfs/dbraw/zinc/09/95/07/1048099507.db2.gz PVSWWFDWRLOLAK-JXFKEZNVSA-N 0 3 327.468 4.362 20 10 EICDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)(C)C ZINC000808742335 1048100339 /nfs/dbraw/zinc/10/03/39/1048100339.db2.gz PVSWWFDWRLOLAK-OXJNMPFZSA-N 0 3 327.468 4.362 20 10 EICDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)(C)C ZINC000808742335 1048100349 /nfs/dbraw/zinc/10/03/49/1048100349.db2.gz PVSWWFDWRLOLAK-OXJNMPFZSA-N 0 3 327.468 4.362 20 10 EICDHN COc1cc(CN(C)[C@@H](C)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000825500907 1048104133 /nfs/dbraw/zinc/10/41/33/1048104133.db2.gz JVMQDULMTPMVKL-AWEZNQCLSA-N 0 3 328.456 4.286 20 10 EICDHN Cc1cc(CN2CCC(C(=O)c3ccccc3)CC2)ccc1N(C)C ZINC000815009623 1048294304 /nfs/dbraw/zinc/29/43/04/1048294304.db2.gz IJUOLPYQETYPNJ-UHFFFAOYSA-N 0 3 336.479 4.156 20 10 EICDHN CCN(C)c1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000815124335 1048339138 /nfs/dbraw/zinc/33/91/38/1048339138.db2.gz TVGICICTPMTKFM-NRFANRHFSA-N 0 3 338.495 4.136 20 10 EICDHN COc1cccc(CNCc2cc(Cl)ccc2OCC2CC2)c1O ZINC000809739853 1048512892 /nfs/dbraw/zinc/51/28/92/1048512892.db2.gz FLFRAKMGBNRMJR-UHFFFAOYSA-N 0 3 347.842 4.133 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809748359 1048514643 /nfs/dbraw/zinc/51/46/43/1048514643.db2.gz PMSZAULFPWYRCA-JOCHJYFZSA-N 0 3 333.431 4.273 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000809756338 1048522416 /nfs/dbraw/zinc/52/24/16/1048522416.db2.gz GLIPENSYBILZAR-GOSISDBHSA-N 0 3 343.471 4.248 20 10 EICDHN CCOc1ccc(C[N@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000809756338 1048522427 /nfs/dbraw/zinc/52/24/27/1048522427.db2.gz GLIPENSYBILZAR-GOSISDBHSA-N 0 3 343.471 4.248 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000815588325 1048525669 /nfs/dbraw/zinc/52/56/69/1048525669.db2.gz KQUQEKSTCOJYQX-ZVDOUQERSA-N 0 3 339.479 4.207 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1(CCO)CCC1 ZINC000815597584 1048530929 /nfs/dbraw/zinc/53/09/29/1048530929.db2.gz ZSFHJEGZDVTVHW-FQEVSTJZSA-N 0 3 339.479 4.208 20 10 EICDHN Cc1nn(-c2ccccc2C)c(C)c1CNCc1ccc(N(C)C)cc1 ZINC000920413214 1048668717 /nfs/dbraw/zinc/66/87/17/1048668717.db2.gz QEGZREMKCPKPGC-UHFFFAOYSA-N 0 3 348.494 4.153 20 10 EICDHN COc1cccc([C@H](C)N[C@@H](C)c2ccccc2OC(F)F)c1O ZINC000846135372 1048829177 /nfs/dbraw/zinc/82/91/77/1048829177.db2.gz CHSCGRXJACOPJM-RYUDHWBXSA-N 0 3 337.366 4.414 20 10 EICDHN CC[C@H](N[C@H](Cc1ccccc1)c1nccn1C)c1ccc(C)cc1O ZINC000846206703 1048833532 /nfs/dbraw/zinc/83/35/32/1048833532.db2.gz GHSJPOMLHHLCQC-VQTJNVASSA-N 0 3 349.478 4.459 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)N[C@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846181919 1048835179 /nfs/dbraw/zinc/83/51/79/1048835179.db2.gz FXFDULFRWRPFIT-JKDFXYPNSA-N 0 3 337.822 4.266 20 10 EICDHN CCN(CC)c1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1F ZINC000816657718 1048850846 /nfs/dbraw/zinc/85/08/46/1048850846.db2.gz YESUKUZHPFLDEF-FQEVSTJZSA-N 0 3 346.490 4.063 20 10 EICDHN C[C@@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1cnccc1N ZINC000817897355 1049053467 /nfs/dbraw/zinc/05/34/67/1049053467.db2.gz MAUCRGFXKUMLJW-MRXNPFEDSA-N 0 3 338.499 4.114 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CCCN3)c2c1c(F)ccc2[O-] ZINC000817974912 1049075489 /nfs/dbraw/zinc/07/54/89/1049075489.db2.gz HKMGPBCVEJFTAQ-SJKOYZFVSA-N 0 3 326.415 4.228 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984800 1049078187 /nfs/dbraw/zinc/07/81/87/1049078187.db2.gz AFZXUDOJUNIDAW-BXUZGUMPSA-N 0 3 343.298 4.414 20 10 EICDHN COc1ccc(Cl)c2c1C[C@@H]([N@H+](C)Cc1ccccc1[O-])CC2 ZINC001171326843 1049289613 /nfs/dbraw/zinc/28/96/13/1049289613.db2.gz SFGOUWPBABZISO-AWEZNQCLSA-N 0 3 331.843 4.044 20 10 EICDHN COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)Cc1ccccc1[O-])CC2 ZINC001171326843 1049289634 /nfs/dbraw/zinc/28/96/34/1049289634.db2.gz SFGOUWPBABZISO-AWEZNQCLSA-N 0 3 331.843 4.044 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1[O-] ZINC000812735138 1049556179 /nfs/dbraw/zinc/55/61/79/1049556179.db2.gz PLSAEVALKGJIRB-LBPRGKRZSA-N 0 3 329.831 4.092 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000237594277 1049637397 /nfs/dbraw/zinc/63/73/97/1049637397.db2.gz CMWYPMFIINLKTD-DNVCBOLYSA-N 0 3 344.886 4.188 20 10 EICDHN COc1ccc(O)c(CNC(C)(C)c2cc(Cl)ccc2OC)c1 ZINC000822503585 1049770412 /nfs/dbraw/zinc/77/04/12/1049770412.db2.gz ISJJKMSAULEOKS-UHFFFAOYSA-N 0 3 335.831 4.088 20 10 EICDHN CN(Cc1ccc[nH]1)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823476758 1049851150 /nfs/dbraw/zinc/85/11/50/1049851150.db2.gz BIWICYRSSSCCCM-UHFFFAOYSA-N 0 3 325.481 4.345 20 10 EICDHN C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172567280 1049937248 /nfs/dbraw/zinc/93/72/48/1049937248.db2.gz JCSQPKVBJBLBAR-SNVBAGLBSA-N 0 3 341.785 4.140 20 10 EICDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000180838612 1049953760 /nfs/dbraw/zinc/95/37/60/1049953760.db2.gz AUZCPNCJCBLDQO-JTQLQIEISA-N 0 3 329.293 4.281 20 10 EICDHN CC(C)[C@H](CNCc1c([O-])ccc(Cl)c1F)[NH+]1CCC(C)CC1 ZINC001177256429 1050174792 /nfs/dbraw/zinc/17/47/92/1050174792.db2.gz FZKRPIYLURFJCZ-INIZCTEOSA-N 0 3 342.886 4.031 20 10 EICDHN CCC[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccccc1 ZINC001178634663 1050522116 /nfs/dbraw/zinc/52/21/16/1050522116.db2.gz QDMOQDQKWHGBEL-QUCCMNQESA-N 0 3 348.437 4.023 20 10 EICDHN C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775128461 1050563363 /nfs/dbraw/zinc/56/33/63/1050563363.db2.gz DACIZNSVYITDTP-GFCCVEGCSA-N 0 3 325.330 4.141 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCc1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC001180430048 1050987110 /nfs/dbraw/zinc/98/71/10/1050987110.db2.gz KXMRVRNCNOYNSA-IBGZPJMESA-N 0 3 345.870 4.269 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCc1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC001180430048 1050987123 /nfs/dbraw/zinc/98/71/23/1050987123.db2.gz KXMRVRNCNOYNSA-IBGZPJMESA-N 0 3 345.870 4.269 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2c(Cl)ccc3cccnc32)c1 ZINC000775375197 1051156654 /nfs/dbraw/zinc/15/66/54/1051156654.db2.gz JWMVQAPVFHHWKA-LBPRGKRZSA-N 0 3 342.826 4.453 20 10 EICDHN COc1ccc(N2CCCN(Cc3ccc(C)cc3Cl)CC2)cc1 ZINC001190445231 1051174560 /nfs/dbraw/zinc/17/45/60/1051174560.db2.gz FJSGPMJAQCCPAN-UHFFFAOYSA-N 0 3 344.886 4.369 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000775415984 1051290302 /nfs/dbraw/zinc/29/03/02/1051290302.db2.gz SJYPLJVCHFRAJZ-WBVHZDCISA-N 0 3 339.357 4.185 20 10 EICDHN CC[C@@H]([NH2+]Cc1csc(Br)c1)c1ccccc1[O-] ZINC000271754366 1051551419 /nfs/dbraw/zinc/55/14/19/1051551419.db2.gz YKDUEQMVXSVHPB-GFCCVEGCSA-N 0 3 326.259 4.457 20 10 EICDHN CCCN1CC[C@@H](C[NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490225 1051572916 /nfs/dbraw/zinc/57/29/16/1051572916.db2.gz AIRBYUJCEYQYKC-SWLSCSKDSA-N 0 3 345.314 4.472 20 10 EICDHN Cc1ccc(C)c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484016 1051611195 /nfs/dbraw/zinc/61/11/95/1051611195.db2.gz RRVGLIVHBSCESX-DLBZAZTESA-N 0 3 339.483 4.047 20 10 EICDHN CC[C@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)c1ccccc1[O-] ZINC000775500078 1051621778 /nfs/dbraw/zinc/62/17/78/1051621778.db2.gz NRYVCJZWNNPUNS-SFHVURJKSA-N 0 3 348.450 4.002 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccccc1[O-] ZINC000775513473 1051650943 /nfs/dbraw/zinc/65/09/43/1051650943.db2.gz ZNCGBWUCOMVRAC-QAPCUYQASA-N 0 3 330.859 4.365 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1[O-] ZINC000775514112 1051662170 /nfs/dbraw/zinc/66/21/70/1051662170.db2.gz WESCPAGUUGXYSF-ZWKOTPCHSA-N 0 3 332.875 4.389 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1[O-] ZINC000775514110 1051662405 /nfs/dbraw/zinc/66/24/05/1051662405.db2.gz WESCPAGUUGXYSF-QZTJIDSGSA-N 0 3 332.875 4.389 20 10 EICDHN COc1ccc(N(C)CCN(C)Cc2ccc(SC)s2)cc1 ZINC001182726582 1051689472 /nfs/dbraw/zinc/68/94/72/1051689472.db2.gz VUOUHRLEDMVRSP-UHFFFAOYSA-N 0 3 336.526 4.047 20 10 EICDHN CC[C@H]([NH2+]C[C@H](C)COc1ccccc1OC)c1ccccc1[O-] ZINC000775527027 1051713743 /nfs/dbraw/zinc/71/37/43/1051713743.db2.gz VNWUKJWJRUTURC-RDJZCZTQSA-N 0 3 329.440 4.157 20 10 EICDHN Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1Cl ZINC001183355116 1051826937 /nfs/dbraw/zinc/82/69/37/1051826937.db2.gz KTFWIBZCOFLPIZ-UONOGXRCSA-N 0 3 346.858 4.422 20 10 EICDHN CC[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccccc1[O-] ZINC000775555495 1051840334 /nfs/dbraw/zinc/84/03/34/1051840334.db2.gz XBYDFBAINMDYDM-SFHVURJKSA-N 0 3 326.415 4.306 20 10 EICDHN C[C@H]1CN(c2cccc(Cl)c2)CCN1Cc1ccc(N(C)C)cc1 ZINC001194551843 1052168054 /nfs/dbraw/zinc/16/80/54/1052168054.db2.gz NAGMZQBEJVBNEG-INIZCTEOSA-N 0 3 343.902 4.117 20 10 EICDHN C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1cc(F)ccc1[O-] ZINC000184910501 1052294272 /nfs/dbraw/zinc/29/42/72/1052294272.db2.gz UHAUZHDFTIMQDC-SNVBAGLBSA-N 0 3 329.293 4.281 20 10 EICDHN CCOc1cc2c(cc1C[NH2+][C@H](C)c1cc(F)ccc1[O-])O[C@@H](C)C2 ZINC000184898144 1052297816 /nfs/dbraw/zinc/29/78/16/1052297816.db2.gz MDRKAJRIQNRVNN-QWHCGFSZSA-N 0 3 345.414 4.104 20 10 EICDHN C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1cc(F)ccc1[O-] ZINC000185006639 1052359479 /nfs/dbraw/zinc/35/94/79/1052359479.db2.gz MIXBOEUASSLUFX-ZDUSSCGKSA-N 0 3 330.403 4.099 20 10 EICDHN C[C@@H]([NH2+]CCCCOCCc1ccccc1)c1cc(F)ccc1[O-] ZINC000185072998 1052392616 /nfs/dbraw/zinc/39/26/16/1052392616.db2.gz YNIPDWVYOLDEGV-MRXNPFEDSA-N 0 3 331.431 4.221 20 10 EICDHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])N2CCCC2)o1 ZINC000185298127 1052571534 /nfs/dbraw/zinc/57/15/34/1052571534.db2.gz YFKBLKYLNBDACB-SJLPKXTDSA-N 0 3 328.456 4.090 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cc3ccccc3s2)c([O-])c1 ZINC000185721261 1052685255 /nfs/dbraw/zinc/68/52/55/1052685255.db2.gz JPKDHZYTDRGPPD-GUYCJALGSA-N 0 3 327.449 4.300 20 10 EICDHN CCOc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000850377422 1053154141 /nfs/dbraw/zinc/15/41/41/1053154141.db2.gz GTEPKUKUGKDIGY-UHFFFAOYSA-N 0 3 326.223 4.388 20 10 EICDHN CN(c1ccc(CN[C@@H]2CCCn3nccc32)cc1)C1CCCCC1 ZINC000850429517 1053203379 /nfs/dbraw/zinc/20/33/79/1053203379.db2.gz CZBCPAWXNNKDKR-HXUWFJFHSA-N 0 3 338.499 4.277 20 10 EICDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000850430952 1053203633 /nfs/dbraw/zinc/20/36/33/1053203633.db2.gz ROOYJNVXQZXHRB-AWEZNQCLSA-N 0 3 328.431 4.068 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2noc3ccccc32)c1[O-] ZINC000850481695 1053252160 /nfs/dbraw/zinc/25/21/60/1053252160.db2.gz AQGQUHOBCCKZPC-GFCCVEGCSA-N 0 3 330.815 4.389 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@@H](COC)c2cccc(OC)c2)cc1 ZINC000850515004 1053271691 /nfs/dbraw/zinc/27/16/91/1053271691.db2.gz TUWYZCCWJUYRPC-IERDGZPVSA-N 0 3 342.483 4.190 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000850539223 1053302738 /nfs/dbraw/zinc/30/27/38/1053302738.db2.gz CCABCQWYWIREQR-TVQRCGJNSA-N 0 3 328.250 4.003 20 10 EICDHN CC(C)[C@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000850555159 1053309120 /nfs/dbraw/zinc/30/91/20/1053309120.db2.gz MKXDSMCGDLAVCV-PWSRMUCDSA-N 0 3 343.442 4.427 20 10 EICDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850554948 1053310395 /nfs/dbraw/zinc/31/03/95/1053310395.db2.gz IQDASXJEOKVVGX-GDBMZVCRSA-N 0 3 338.234 4.010 20 10 EICDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000850568307 1053321794 /nfs/dbraw/zinc/32/17/94/1053321794.db2.gz VEYVFUNXAMVWBC-OAQYLSRUSA-N 0 3 342.458 4.028 20 10 EICDHN C[C@H](N[C@H](CCc1ccccc1)c1ccccc1O)c1nccn1C ZINC000850572470 1053327813 /nfs/dbraw/zinc/32/78/13/1053327813.db2.gz KMGJAIUGGPGUKB-QFBILLFUSA-N 0 3 335.451 4.150 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccc(C)cc1[O-] ZINC000794795020 1053379165 /nfs/dbraw/zinc/37/91/65/1053379165.db2.gz OAWGBVCHZKOGAS-RBUKOAKNSA-N 0 3 330.447 4.183 20 10 EICDHN CCCNC(=O)c1cccc(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])c1 ZINC000794796430 1053380113 /nfs/dbraw/zinc/38/01/13/1053380113.db2.gz KMROFSASWWXJGG-LJQANCHMSA-N 0 3 340.467 4.081 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1[O-] ZINC000794803137 1053394441 /nfs/dbraw/zinc/39/44/41/1053394441.db2.gz QPPKRNHFVCOHLO-CTNGQTDRSA-N 0 3 343.467 4.262 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1ccc(C)cc1[O-] ZINC000794804050 1053397296 /nfs/dbraw/zinc/39/72/96/1053397296.db2.gz LVKZEKDURGJFJQ-CRAIPNDOSA-N 0 3 344.524 4.250 20 10 EICDHN CC[C@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000794807820 1053414876 /nfs/dbraw/zinc/41/48/76/1053414876.db2.gz LVSPPRYKRQFTAM-QAPCUYQASA-N 0 3 343.467 4.390 20 10 EICDHN CC[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(C)cc1O ZINC000794810988 1053415880 /nfs/dbraw/zinc/41/58/80/1053415880.db2.gz AWDJWOPFEWZXNH-HXUWFJFHSA-N 0 3 339.483 4.016 20 10 EICDHN CC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794808831 1053420021 /nfs/dbraw/zinc/42/00/21/1053420021.db2.gz CLQIGUHFRXUVED-HNNXBMFYSA-N 0 3 336.476 4.045 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C)cc1[O-] ZINC000794815358 1053422243 /nfs/dbraw/zinc/42/22/43/1053422243.db2.gz KEGXUAYTCQENQI-BEFAXECRSA-N 0 3 336.439 4.083 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)cc1[O-] ZINC000794811846 1053430049 /nfs/dbraw/zinc/43/00/49/1053430049.db2.gz ZEMZWZRFIMILKK-IUODEOHRSA-N 0 3 325.412 4.084 20 10 EICDHN CCOc1ccc(O)c(CN[C@H](CC)c2cccc(OC)c2OC)c1 ZINC000865759451 1053586366 /nfs/dbraw/zinc/58/63/66/1053586366.db2.gz WJMYXSOYCNATBJ-QGZVFWFLSA-N 0 3 345.439 4.049 20 10 EICDHN CC[C@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000866407912 1053718124 /nfs/dbraw/zinc/71/81/24/1053718124.db2.gz YTSZGKLZRAEDIN-HOTGVXAUSA-N 0 3 339.357 4.185 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccc(C)cc1[O-] ZINC000866423247 1053727520 /nfs/dbraw/zinc/72/75/20/1053727520.db2.gz YKFLJNXVGCSAAD-IBGZPJMESA-N 0 3 341.451 4.161 20 10 EICDHN C[C@@H]([NH2+]CCCc1ccccc1Br)c1ccccc1[O-] ZINC001197003851 1053820548 /nfs/dbraw/zinc/82/05/48/1053820548.db2.gz KVBFDAAHRQGONF-CYBMUJFWSA-N 0 3 334.257 4.438 20 10 EICDHN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000765641336 1053828335 /nfs/dbraw/zinc/82/83/35/1053828335.db2.gz GABHUKMFTFOOTO-CYBMUJFWSA-N 0 3 348.874 4.274 20 10 EICDHN FC(F)(F)Oc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC001199077980 1054342028 /nfs/dbraw/zinc/34/20/28/1054342028.db2.gz MZFDWIKBFVGTPM-UHFFFAOYSA-N 0 3 337.341 4.200 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@H+](Cc1cncnc1)C1CCCC1 ZINC000123983242 1054425094 /nfs/dbraw/zinc/42/50/94/1054425094.db2.gz VLMFBHYKAQHOLE-UHFFFAOYSA-N 0 3 333.435 4.280 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@@H+](Cc1cncnc1)C1CCCC1 ZINC000123983242 1054425098 /nfs/dbraw/zinc/42/50/98/1054425098.db2.gz VLMFBHYKAQHOLE-UHFFFAOYSA-N 0 3 333.435 4.280 20 10 EICDHN Cc1ncccc1CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000858273840 1054453519 /nfs/dbraw/zinc/45/35/19/1054453519.db2.gz IKWMOTNLAOWKOU-UHFFFAOYSA-N 0 3 343.474 4.243 20 10 EICDHN CCCOc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C ZINC000873148651 1054491962 /nfs/dbraw/zinc/49/19/62/1054491962.db2.gz FYNXOBJBEMINQA-CQSZACIVSA-N 0 3 340.423 4.481 20 10 EICDHN Cc1cc(CNCc2ccc3c(c2)CCO3)ccc1Oc1cccnc1 ZINC001199934564 1054501205 /nfs/dbraw/zinc/50/12/05/1054501205.db2.gz ZYZPXSUUTOHFRQ-UHFFFAOYSA-N 0 3 346.430 4.407 20 10 EICDHN CCOc1cccc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000873186482 1054507239 /nfs/dbraw/zinc/50/72/39/1054507239.db2.gz PAGCPDPSFOWGSY-NSHDSACASA-N 0 3 340.345 4.056 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2ccns2)c1[O-] ZINC000858576502 1054522587 /nfs/dbraw/zinc/52/25/87/1054522587.db2.gz LPIDRYZJMRJGRM-VHSXEESVSA-N 0 3 341.274 4.331 20 10 EICDHN Cc1cc(Br)cc([C@H](C)N[C@H](C)c2ccns2)c1O ZINC000858576502 1054522594 /nfs/dbraw/zinc/52/25/94/1054522594.db2.gz LPIDRYZJMRJGRM-VHSXEESVSA-N 0 3 341.274 4.331 20 10 EICDHN CN(C)c1ccc(/C=C\CN[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC001201742404 1054893171 /nfs/dbraw/zinc/89/31/71/1054893171.db2.gz NTQZMQSHRXWGSU-BOYDRYHPSA-N 0 3 340.442 4.408 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1[O-] ZINC000776253015 1055059417 /nfs/dbraw/zinc/05/94/17/1055059417.db2.gz IATIRIGORPDQOX-MRXNPFEDSA-N 0 3 347.256 4.099 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2cc(Cl)cc(Cl)c2N)c1 ZINC000877532724 1055073215 /nfs/dbraw/zinc/07/32/15/1055073215.db2.gz GWCZOWHXYLWJDJ-SECBINFHSA-N 0 3 341.238 4.141 20 10 EICDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)c([O-])c1 ZINC000877543055 1055076353 /nfs/dbraw/zinc/07/63/53/1055076353.db2.gz VXZSMZDYBPITAK-MRXNPFEDSA-N 0 3 338.451 4.068 20 10 EICDHN C[C@@H](NCc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1O ZINC000877756290 1055114075 /nfs/dbraw/zinc/11/40/75/1055114075.db2.gz FLSDLOZQRJSOAQ-LLVKDONJSA-N 0 3 349.356 4.149 20 10 EICDHN CC(C)n1ncc2cc(CN[C@H](C)c3ccccc3O)c(Cl)nc21 ZINC000877756568 1055114317 /nfs/dbraw/zinc/11/43/17/1055114317.db2.gz SSYLYVLYUNPTIT-GFCCVEGCSA-N 0 3 344.846 4.222 20 10 EICDHN C[C@H](NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O ZINC000877757998 1055116338 /nfs/dbraw/zinc/11/63/38/1055116338.db2.gz CELGYGNTWGQOBC-JTQLQIEISA-N 0 3 340.301 4.170 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000877828238 1055130141 /nfs/dbraw/zinc/13/01/41/1055130141.db2.gz IDHPTIPJSFUBQE-ZDUSSCGKSA-N 0 3 337.389 4.326 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1ccnc(C(F)(F)F)c1 ZINC001202474774 1055269620 /nfs/dbraw/zinc/26/96/20/1055269620.db2.gz KEDIPWMPUSAAIE-UHFFFAOYSA-N 0 3 333.357 4.190 20 10 EICDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000743870225 1059186640 /nfs/dbraw/zinc/18/66/40/1059186640.db2.gz MBWHMHUKGOHSHO-QGZVFWFLSA-N 0 3 340.467 4.248 20 10 EICDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000743870094 1059187732 /nfs/dbraw/zinc/18/77/32/1059187732.db2.gz HDVBKHRZICMTFF-QGZVFWFLSA-N 0 3 340.467 4.248 20 10 EICDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000743870154 1059192324 /nfs/dbraw/zinc/19/23/24/1059192324.db2.gz JIUGYGQTFULKRB-INIZCTEOSA-N 0 3 340.467 4.194 20 10 EICDHN CCC[N@H+](CCC(=O)Nc1cccc(F)c1C)Cc1ccccc1[O-] ZINC000744392562 1059444594 /nfs/dbraw/zinc/44/45/94/1059444594.db2.gz TXUOEAGUAMDZSW-UHFFFAOYSA-N 0 3 344.430 4.081 20 10 EICDHN CCC[N@@H+](CCC(=O)Nc1cccc(F)c1C)Cc1ccccc1[O-] ZINC000744392562 1059444604 /nfs/dbraw/zinc/44/46/04/1059444604.db2.gz TXUOEAGUAMDZSW-UHFFFAOYSA-N 0 3 344.430 4.081 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1(CCO)CCCC1 ZINC000744448765 1059524562 /nfs/dbraw/zinc/52/45/62/1059524562.db2.gz NXRLVCLJACBGQO-UHFFFAOYSA-N 0 3 325.452 4.092 20 10 EICDHN CC(C)[NH+](CCCNCc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC000746053964 1059994921 /nfs/dbraw/zinc/99/49/21/1059994921.db2.gz VSUYDGDALAHZBJ-UHFFFAOYSA-N 0 3 333.303 4.298 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2ccc(Br)s2)c1 ZINC000038018553 202087251 /nfs/dbraw/zinc/08/72/51/202087251.db2.gz VJNKLQDMNJQCGA-VIFPVBQESA-N 0 3 342.258 4.076 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccc(C)cc1[O-] ZINC000279921414 1032800721 /nfs/dbraw/zinc/80/07/21/1032800721.db2.gz AGCNYIAKIHPZPJ-LIRRHRJNSA-N 0 3 326.440 4.461 20 10 EICDHN COc1cccc(CNCc2ccccc2OC2CCCC2)c1O ZINC000237388893 1032862284 /nfs/dbraw/zinc/86/22/84/1032862284.db2.gz VXQVYCLKKJGIAT-UHFFFAOYSA-N 0 3 327.424 4.012 20 10 EICDHN COc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)ccn1 ZINC000177842262 1021740053 /nfs/dbraw/zinc/74/00/53/1021740053.db2.gz VTTUCPOPCGKQRO-QGZVFWFLSA-N 0 3 339.483 4.321 20 10 EICDHN Cc1cc(CN2CCSC[C@@H]2c2ccccc2)ccc1N(C)C ZINC001167417915 1022192423 /nfs/dbraw/zinc/19/24/23/1022192423.db2.gz ZXGQRFRRURYLIZ-HXUWFJFHSA-N 0 3 326.509 4.351 20 10 EICDHN COc1ccc(CN[C@@H](C)c2ccccc2OC(C)C)c(O)c1OC ZINC000892599328 1022415976 /nfs/dbraw/zinc/41/59/76/1022415976.db2.gz JKVORFDLHWYSQH-AWEZNQCLSA-N 0 3 345.439 4.047 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cc(-c2cccnc2)n[nH]1)C1CCCC1 ZINC000378348469 1022732423 /nfs/dbraw/zinc/73/24/23/1022732423.db2.gz YDEHGFOYSDFBIP-UHFFFAOYSA-N 0 3 348.450 4.122 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cc(-c2cccnc2)n[nH]1)C1CCCC1 ZINC000378348469 1022732449 /nfs/dbraw/zinc/73/24/49/1022732449.db2.gz YDEHGFOYSDFBIP-UHFFFAOYSA-N 0 3 348.450 4.122 20 10 EICDHN COc1ccc(O)c(CNC2(c3ccc(F)cc3F)CCCC2)c1 ZINC000182672547 1022822540 /nfs/dbraw/zinc/82/25/40/1022822540.db2.gz MJZDKMUAUOOGSY-UHFFFAOYSA-N 0 3 333.378 4.238 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1cc(F)ccc1[O-] ZINC000185157389 1023013943 /nfs/dbraw/zinc/01/39/43/1023013943.db2.gz HFBAULBZGABDHW-UONOGXRCSA-N 0 3 342.414 4.070 20 10 EICDHN C[C@H]([NH2+]Cc1csc(Br)c1)c1cc(F)ccc1[O-] ZINC000397251426 1023404471 /nfs/dbraw/zinc/40/44/71/1023404471.db2.gz GUZULXJULUIYMO-QMMMGPOBSA-N 0 3 330.222 4.206 20 10 EICDHN CC[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1cccs1)c1ccccc1[O-] ZINC000364364914 1023682104 /nfs/dbraw/zinc/68/21/04/1023682104.db2.gz ZKOUGUVHRKVHOG-ALKREAHSSA-N 0 3 330.497 4.187 20 10 EICDHN CC[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccccc1[O-] ZINC000156429649 1023852120 /nfs/dbraw/zinc/85/21/20/1023852120.db2.gz IXXDLHIPZJHHJJ-GOSISDBHSA-N 0 3 340.398 4.470 20 10 EICDHN CC[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccccc1[O-] ZINC000156634481 1025359553 /nfs/dbraw/zinc/35/95/53/1025359553.db2.gz WTKHHMOKUWCINO-OAHLLOKOSA-N 0 3 339.464 4.194 20 10 EICDHN C[C@H]([NH2+]Cc1cc(Br)cs1)c1cc(F)ccc1[O-] ZINC000094618281 1026020968 /nfs/dbraw/zinc/02/09/68/1026020968.db2.gz ZVTDPSWUOBTYGY-QMMMGPOBSA-N 0 3 330.222 4.206 20 10 EICDHN OCC1([C@@H](NCc2ccc3c(c2)CCCO3)c2cccs2)CCC1 ZINC000894788521 1026441602 /nfs/dbraw/zinc/44/16/02/1026441602.db2.gz RFPQTAAGRDMJQT-IBGZPJMESA-N 0 3 343.492 4.067 20 10 EICDHN COc1ccc(N2CCCN(Cc3ccccc3Cl)CC2)cc1 ZINC000108092870 1026795616 /nfs/dbraw/zinc/79/56/16/1026795616.db2.gz FMFGBCFSSKPJFF-UHFFFAOYSA-N 0 3 330.859 4.061 20 10 EICDHN COc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1Cl ZINC000896103785 1027222666 /nfs/dbraw/zinc/22/26/66/1027222666.db2.gz UWGRLTHZVNBYBC-UHFFFAOYSA-N 0 3 342.222 4.006 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1[O-] ZINC000896612276 1027682091 /nfs/dbraw/zinc/68/20/91/1027682091.db2.gz JTMWWLFXGYKADB-MRXNPFEDSA-N 0 3 347.256 4.099 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1cn(C)nc1-c1ccccc1 ZINC000475189550 1029355892 /nfs/dbraw/zinc/35/58/92/1029355892.db2.gz GUSUPOYCGUVROQ-UHFFFAOYSA-N 0 3 344.462 4.177 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1cc(-c2ccccc2)n[nH]1 ZINC000475190873 1029398600 /nfs/dbraw/zinc/39/86/00/1029398600.db2.gz MEWQRGOXUPLKNP-UHFFFAOYSA-N 0 3 330.435 4.167 20 10 EICDHN C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1cc(F)ccc1[O-] ZINC000186192771 1030255466 /nfs/dbraw/zinc/25/54/66/1030255466.db2.gz LMZHNKUPTMKSHJ-QWHCGFSZSA-N 0 3 341.386 4.036 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1[O-] ZINC000527936706 1030978205 /nfs/dbraw/zinc/97/82/05/1030978205.db2.gz XNOBCLRVZHRLMT-GXFFZTMASA-N 0 3 347.768 4.005 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccnc2C)c1[O-] ZINC000527989168 1031015187 /nfs/dbraw/zinc/01/51/87/1031015187.db2.gz XGBLMZLVKJYNFB-GFCCVEGCSA-N 0 3 335.245 4.017 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(C)cc1[O-] ZINC000280227348 1035206404 /nfs/dbraw/zinc/20/64/04/1035206404.db2.gz VEDMQYQBKOFDCC-KSSFIOAISA-N 0 3 338.451 4.021 20 10 EICDHN CC[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(C)cc1[O-] ZINC000280284205 1035221165 /nfs/dbraw/zinc/22/11/65/1035221165.db2.gz YSAHHBZVIMFJES-INIZCTEOSA-N 0 3 344.421 4.016 20 10 EICDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(F)c(COC)c2)cc1 ZINC000151185279 1035572201 /nfs/dbraw/zinc/57/22/01/1035572201.db2.gz QMIONCRSCXPKSF-OAHLLOKOSA-N 0 3 330.447 4.279 20 10 EICDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)NC(C)(C)C ZINC000163639412 1035639549 /nfs/dbraw/zinc/63/95/49/1035639549.db2.gz WEAKCTVFOOTOHU-IAGOWNOFSA-N 0 3 345.531 4.021 20 10 EICDHN COc1ccc([C@@H](C)[N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000761191801 1036010521 /nfs/dbraw/zinc/01/05/21/1036010521.db2.gz WGSHXGZGXQLMOB-GFCCVEGCSA-N 0 3 335.831 4.256 20 10 EICDHN COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000761191801 1036010538 /nfs/dbraw/zinc/01/05/38/1036010538.db2.gz WGSHXGZGXQLMOB-GFCCVEGCSA-N 0 3 335.831 4.256 20 10 EICDHN Cc1ccc([C@H](C)NCc2cccc3c2OCCCO3)c(O)c1C ZINC000273452794 1037469553 /nfs/dbraw/zinc/46/95/53/1037469553.db2.gz GISUILFSOVKEHN-HNNXBMFYSA-N 0 3 327.424 4.021 20 10 EICDHN Cc1ccc([C@@H](C)NCc2cccc3c2OCCCO3)c(O)c1C ZINC000273452796 1037471723 /nfs/dbraw/zinc/47/17/23/1037471723.db2.gz GISUILFSOVKEHN-OAHLLOKOSA-N 0 3 327.424 4.021 20 10 EICDHN COc1cc([C@@H](C)NCc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000030632511 1039286865 /nfs/dbraw/zinc/28/68/65/1039286865.db2.gz MFAWCSHWMVGOJF-MRXNPFEDSA-N 0 3 342.483 4.399 20 10 EICDHN Cc1ccc(O)c([C@H](C)N[C@H](C)c2ccc(Br)cn2)c1 ZINC000281195291 1039818256 /nfs/dbraw/zinc/81/82/56/1039818256.db2.gz RNZKLBFIRGCDFU-NWDGAFQWSA-N 0 3 335.245 4.270 20 10 EICDHN CC(C)[N@H+](CCc1nccs1)Cc1c([O-])ccc2ccccc21 ZINC000151548137 1041401601 /nfs/dbraw/zinc/40/16/01/1041401601.db2.gz MCUHTMVHSZSCMY-UHFFFAOYSA-N 0 3 326.465 4.455 20 10 EICDHN CC(C)[N@@H+](CCc1nccs1)Cc1c([O-])ccc2ccccc21 ZINC000151548137 1041401609 /nfs/dbraw/zinc/40/16/09/1041401609.db2.gz MCUHTMVHSZSCMY-UHFFFAOYSA-N 0 3 326.465 4.455 20 10 EICDHN c1[nH]c2ncccc2c1C1=CCN(c2ccnc3ccccc32)CC1 ZINC000518884698 1042745458 /nfs/dbraw/zinc/74/54/58/1042745458.db2.gz IOHIEDLSMRVCMY-UHFFFAOYSA-N 0 3 326.403 4.405 20 10 EICDHN COc1c(C)cnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000727585547 1043238768 /nfs/dbraw/zinc/23/87/68/1043238768.db2.gz CGXIECHOBNKMGH-UHFFFAOYSA-N 0 3 341.499 4.184 20 10 EICDHN CC(C)N1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000727823114 1043318072 /nfs/dbraw/zinc/31/80/72/1043318072.db2.gz AXZUYFIZWMVWDE-UHFFFAOYSA-N 0 3 338.451 4.208 20 10 EICDHN CC(C)N1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000727823114 1043318080 /nfs/dbraw/zinc/31/80/80/1043318080.db2.gz AXZUYFIZWMVWDE-UHFFFAOYSA-N 0 3 338.451 4.208 20 10 EICDHN COc1ccc(C)cc1[C@@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000378909401 1044416362 /nfs/dbraw/zinc/41/63/62/1044416362.db2.gz RNGXLYIHKLEOEQ-GFCCVEGCSA-N 0 3 335.831 4.222 20 10 EICDHN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000378909401 1044416378 /nfs/dbraw/zinc/41/63/78/1044416378.db2.gz RNGXLYIHKLEOEQ-GFCCVEGCSA-N 0 3 335.831 4.222 20 10 EICDHN C[C@](CO)([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccccc1 ZINC000734844505 1044697391 /nfs/dbraw/zinc/69/73/91/1044697391.db2.gz ZWMQMKPWICKMTJ-JOCHJYFZSA-N 0 3 333.431 4.057 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000734850702 1044702392 /nfs/dbraw/zinc/70/23/92/1044702392.db2.gz NEJVCSQWWFWBGC-HXUWFJFHSA-N 0 3 337.394 4.022 20 10 EICDHN CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](CC)c1ccccc1[O-])CCO2 ZINC000186692395 1045132464 /nfs/dbraw/zinc/13/24/64/1045132464.db2.gz OBIAJPXJCFLTGX-ZWKOTPCHSA-N 0 3 327.424 4.355 20 10 EICDHN CC[C@H](N[C@H]1CCOc2cc(OC)ccc21)c1ccc(N(C)C)cc1 ZINC000766184924 1045259397 /nfs/dbraw/zinc/25/93/97/1045259397.db2.gz AGDFWKJABQBDGG-PMACEKPBSA-N 0 3 340.467 4.326 20 10 EICDHN Cc1c(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cccc1[N+](=O)[O-] ZINC000790696113 1045559904 /nfs/dbraw/zinc/55/99/04/1045559904.db2.gz RLPXITACCRPTNA-QMTHXVAHSA-N 0 3 330.359 4.086 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cc2ccccc2o1)C[C@H]1CCCO1 ZINC000767900713 1045677221 /nfs/dbraw/zinc/67/72/21/1045677221.db2.gz UKQLAKRYFSLUMK-GOSISDBHSA-N 0 3 337.419 4.320 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cc2ccccc2o1)C[C@H]1CCCO1 ZINC000767900713 1045677230 /nfs/dbraw/zinc/67/72/30/1045677230.db2.gz UKQLAKRYFSLUMK-GOSISDBHSA-N 0 3 337.419 4.320 20 10 EICDHN [O-]c1ccccc1C[N@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000768163411 1045730213 /nfs/dbraw/zinc/73/02/13/1045730213.db2.gz YVCCUROCCAYJEO-GECPCNCSSA-N 0 3 341.426 4.226 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000768163411 1045730231 /nfs/dbraw/zinc/73/02/31/1045730231.db2.gz YVCCUROCCAYJEO-GECPCNCSSA-N 0 3 341.426 4.226 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@@H]1CCCO1 ZINC000768162529 1045730933 /nfs/dbraw/zinc/73/09/33/1045730933.db2.gz NXEMXSXSBBPKFP-PCCBWWKXSA-N 0 3 337.463 4.177 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@@H]1CCCO1 ZINC000768162529 1045730950 /nfs/dbraw/zinc/73/09/50/1045730950.db2.gz NXEMXSXSBBPKFP-PCCBWWKXSA-N 0 3 337.463 4.177 20 10 EICDHN Cc1cc(O)c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1C ZINC000768335962 1045790149 /nfs/dbraw/zinc/79/01/49/1045790149.db2.gz CPUGVGLTYBYBIH-UHFFFAOYSA-N 0 3 326.396 4.082 20 10 EICDHN COc1cc(O)c(CN(Cc2ccccc2F)CC(C)C)cc1OC ZINC000768441113 1045807281 /nfs/dbraw/zinc/80/72/81/1045807281.db2.gz VLPJMFBTTHYDII-UHFFFAOYSA-N 0 3 347.430 4.207 20 10 EICDHN CCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1[O-] ZINC000768542377 1045817817 /nfs/dbraw/zinc/81/78/17/1045817817.db2.gz WAQFPDOOJKKQLQ-UHFFFAOYSA-N 0 3 334.803 4.366 20 10 EICDHN CCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1[O-] ZINC000768542377 1045817814 /nfs/dbraw/zinc/81/78/14/1045817814.db2.gz WAQFPDOOJKKQLQ-UHFFFAOYSA-N 0 3 334.803 4.366 20 10 EICDHN C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1[O-] ZINC000768872101 1045849818 /nfs/dbraw/zinc/84/98/18/1045849818.db2.gz CPGSPVMAHSHQRC-UHFFFAOYSA-N 0 3 338.363 4.192 20 10 EICDHN C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1[O-] ZINC000768872101 1045849825 /nfs/dbraw/zinc/84/98/25/1045849825.db2.gz CPGSPVMAHSHQRC-UHFFFAOYSA-N 0 3 338.363 4.192 20 10 EICDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1O ZINC000768872101 1045849827 /nfs/dbraw/zinc/84/98/27/1045849827.db2.gz CPGSPVMAHSHQRC-UHFFFAOYSA-N 0 3 338.363 4.192 20 10 EICDHN CCCCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OC ZINC000768872269 1045849936 /nfs/dbraw/zinc/84/99/36/1045849936.db2.gz GNBQXVWESLIDRI-UHFFFAOYSA-N 0 3 329.440 4.212 20 10 EICDHN CCCCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OC ZINC000768872269 1045849928 /nfs/dbraw/zinc/84/99/28/1045849928.db2.gz GNBQXVWESLIDRI-UHFFFAOYSA-N 0 3 329.440 4.212 20 10 EICDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([O-])c1 ZINC000792186654 1045876171 /nfs/dbraw/zinc/87/61/71/1045876171.db2.gz GGXYDLNUZQEBFS-OAHLLOKOSA-N 0 3 331.378 4.201 20 10 EICDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([O-])c1 ZINC000792186654 1045876173 /nfs/dbraw/zinc/87/61/73/1045876173.db2.gz GGXYDLNUZQEBFS-OAHLLOKOSA-N 0 3 331.378 4.201 20 10 EICDHN CCOc1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)c([O-])c1 ZINC000769191846 1045884037 /nfs/dbraw/zinc/88/40/37/1045884037.db2.gz HXUSGMUMXPNMSX-UHFFFAOYSA-N 0 3 347.499 4.352 20 10 EICDHN CCOc1ccc(C[N@H+](C)Cc2ccc(SC)c(OC)c2)c([O-])c1 ZINC000769192496 1045885529 /nfs/dbraw/zinc/88/55/29/1045885529.db2.gz LRIPOAFIZBKNCV-UHFFFAOYSA-N 0 3 347.480 4.153 20 10 EICDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(SC)c(OC)c2)c([O-])c1 ZINC000769192496 1045885536 /nfs/dbraw/zinc/88/55/36/1045885536.db2.gz LRIPOAFIZBKNCV-UHFFFAOYSA-N 0 3 347.480 4.153 20 10 EICDHN CCC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1[O-] ZINC000769200676 1045894329 /nfs/dbraw/zinc/89/43/29/1045894329.db2.gz IVLBWFMWHRLWBK-UHFFFAOYSA-N 0 3 339.414 4.129 20 10 EICDHN CCC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1[O-] ZINC000769200676 1045894332 /nfs/dbraw/zinc/89/43/32/1045894332.db2.gz IVLBWFMWHRLWBK-UHFFFAOYSA-N 0 3 339.414 4.129 20 10 EICDHN CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])[C@@H](C)C1 ZINC000769482767 1045969978 /nfs/dbraw/zinc/96/99/78/1045969978.db2.gz DYWYWNIQRSLXSU-UWJYYQICSA-N 0 3 338.495 4.221 20 10 EICDHN CCN1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])[C@@H](C)C1 ZINC000769482767 1045969965 /nfs/dbraw/zinc/96/99/65/1045969965.db2.gz DYWYWNIQRSLXSU-UWJYYQICSA-N 0 3 338.495 4.221 20 10 EICDHN COc1cccc(CN2CCC(=Cc3ccc(F)c(F)c3)CC2)c1O ZINC000769558361 1046021678 /nfs/dbraw/zinc/02/16/78/1046021678.db2.gz VZULJFVFRUEJRB-UHFFFAOYSA-N 0 3 345.389 4.358 20 10 EICDHN COc1ccsc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769962755 1046110704 /nfs/dbraw/zinc/11/07/04/1046110704.db2.gz QGAVIEGABCSCKU-LSDHHAIUSA-N 0 3 346.496 4.005 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000769929265 1046113879 /nfs/dbraw/zinc/11/38/79/1046113879.db2.gz YAHUENKEAHXPSL-NQIIRXRSSA-N 0 3 339.479 4.480 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)c2c1 ZINC000793522734 1046263982 /nfs/dbraw/zinc/26/39/82/1046263982.db2.gz FDHYBJZRBNJHSO-MSOLQXFVSA-N 0 3 333.378 4.031 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)c2c1 ZINC000793522734 1046263995 /nfs/dbraw/zinc/26/39/95/1046263995.db2.gz FDHYBJZRBNJHSO-MSOLQXFVSA-N 0 3 333.378 4.031 20 10 EICDHN CCN(CC)c1ccc(CN[C@H](C)c2cnc(OC)c(Cl)c2)cc1 ZINC000793526928 1046268310 /nfs/dbraw/zinc/26/83/10/1046268310.db2.gz ZHYPEYSUBGVTKG-CQSZACIVSA-N 0 3 347.890 4.441 20 10 EICDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000917074898 1046638867 /nfs/dbraw/zinc/63/88/67/1046638867.db2.gz KLCQFERAMAHBSR-UHFFFAOYSA-N 0 3 327.428 4.071 20 10 EICDHN COc1ccc2c(c1)[C@H](NCc1ccc(N(C)C)cc1C)CCS2 ZINC000786576806 1046849282 /nfs/dbraw/zinc/84/92/82/1046849282.db2.gz BVPMCKDWFRNETK-LJQANCHMSA-N 0 3 342.508 4.396 20 10 EICDHN Cc1cccc(CN[C@H](C)c2cc(F)ccc2O)c1Br ZINC000786943704 1046888992 /nfs/dbraw/zinc/88/89/92/1046888992.db2.gz AFBJYKGZWDMJPK-LLVKDONJSA-N 0 3 338.220 4.453 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2(F)CCC2)c1[O-] ZINC000806173554 1047160696 /nfs/dbraw/zinc/16/06/96/1047160696.db2.gz JVEYNKDIRCSZEK-LLVKDONJSA-N 0 3 330.241 4.396 20 10 EICDHN CSC1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000788607607 1047245316 /nfs/dbraw/zinc/24/53/16/1047245316.db2.gz VYGLGPJDVPOFKV-SNVBAGLBSA-N 0 3 330.291 4.009 20 10 EICDHN C[C@@H](NCc1ccncc1OCCC(C)(C)C)c1ccccc1O ZINC000806657759 1047335437 /nfs/dbraw/zinc/33/54/37/1047335437.db2.gz FJQQMDGASKFOJA-OAHLLOKOSA-N 0 3 328.456 4.453 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1[O-] ZINC000814177764 1047867397 /nfs/dbraw/zinc/86/73/97/1047867397.db2.gz OISKXGAHRIXVOF-PIGZYNQJSA-N 0 3 337.872 4.208 20 10 EICDHN COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808689279 1048039944 /nfs/dbraw/zinc/03/99/44/1048039944.db2.gz BHBKHZJVYRLXIG-ZDUSSCGKSA-N 0 3 334.847 4.225 20 10 EICDHN COc1nc(C)cc(C)c1CN[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808689279 1048039957 /nfs/dbraw/zinc/03/99/57/1048039957.db2.gz BHBKHZJVYRLXIG-ZDUSSCGKSA-N 0 3 334.847 4.225 20 10 EICDHN CCN(CC)c1ccc(CN[C@H]2CCc3c2ccc(OC)c3F)cc1 ZINC000808677734 1048048911 /nfs/dbraw/zinc/04/89/11/1048048911.db2.gz FVTDDMHXFHVOKY-IBGZPJMESA-N 0 3 342.458 4.458 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000808706645 1048052010 /nfs/dbraw/zinc/05/20/10/1048052010.db2.gz PYFPFUDNDDQSTI-RVSPLBMKSA-N 0 3 341.904 4.059 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1[O-] ZINC000808707298 1048052420 /nfs/dbraw/zinc/05/24/20/1048052420.db2.gz KMAHLTZGOQPATJ-MEDUHNTESA-N 0 3 340.250 4.392 20 10 EICDHN Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706292 1048052685 /nfs/dbraw/zinc/05/26/85/1048052685.db2.gz GQRGSZPJMQSXLV-SMDDNHRTSA-N 0 3 325.861 4.108 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1[O-] ZINC000808710690 1048055342 /nfs/dbraw/zinc/05/53/42/1048055342.db2.gz VKFMCLXBAIKKGE-TXKWRHDYSA-N 0 3 343.945 4.384 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1[O-] ZINC000808711418 1048058486 /nfs/dbraw/zinc/05/84/86/1048058486.db2.gz GEIPFYSCLWGCCT-GFCCVEGCSA-N 0 3 345.826 4.423 20 10 EICDHN COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712918 1048060209 /nfs/dbraw/zinc/06/02/09/1048060209.db2.gz JGNBNKYTNKLFPT-UKRRQHHQSA-N 0 3 337.847 4.245 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)NC2(C(=O)Nc3ccccc3)CC2)c1O ZINC000808715706 1048061249 /nfs/dbraw/zinc/06/12/49/1048061249.db2.gz NNOROVAXRCYRJX-ZDUSSCGKSA-N 0 3 344.842 4.176 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)c1[O-] ZINC000808715706 1048061263 /nfs/dbraw/zinc/06/12/63/1048061263.db2.gz NNOROVAXRCYRJX-ZDUSSCGKSA-N 0 3 344.842 4.176 20 10 EICDHN COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712919 1048061497 /nfs/dbraw/zinc/06/14/97/1048061497.db2.gz JGNBNKYTNKLFPT-ZFWWWQNUSA-N 0 3 337.847 4.245 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1[O-] ZINC000808715364 1048062595 /nfs/dbraw/zinc/06/25/95/1048062595.db2.gz KFCUEDOSBSRWIW-LIRRHRJNSA-N 0 3 333.859 4.302 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)c1[O-] ZINC000808715444 1048062757 /nfs/dbraw/zinc/06/27/57/1048062757.db2.gz FAEATSWVADKENI-ZDUSSCGKSA-N 0 3 330.859 4.479 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)NCc2ccc3c(n2)CCCC3)c1O ZINC000808715444 1048062774 /nfs/dbraw/zinc/06/27/74/1048062774.db2.gz FAEATSWVADKENI-ZDUSSCGKSA-N 0 3 330.859 4.479 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1[O-] ZINC000808715971 1048065048 /nfs/dbraw/zinc/06/50/48/1048065048.db2.gz PBNYAOZEANQHDD-XJKSGUPXSA-N 0 3 335.879 4.178 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000808696724 1048077565 /nfs/dbraw/zinc/07/75/65/1048077565.db2.gz SDWIBXNYQXXIDS-OAVHHTNSSA-N 0 3 337.822 4.266 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1[O-] ZINC000808700494 1048079486 /nfs/dbraw/zinc/07/94/86/1048079486.db2.gz LUPBAGAEKZZDOX-LBPRGKRZSA-N 0 3 327.852 4.127 20 10 EICDHN CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1[O-] ZINC000808729259 1048092178 /nfs/dbraw/zinc/09/21/78/1048092178.db2.gz WXGGXYXHOPXAED-QGZVFWFLSA-N 0 3 339.395 4.065 20 10 EICDHN CCCCCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882017 1048358291 /nfs/dbraw/zinc/35/82/91/1048358291.db2.gz KBNLFHKTRRBUHN-IBGZPJMESA-N 0 3 347.547 4.078 20 10 EICDHN CCCCCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882018 1048359849 /nfs/dbraw/zinc/35/98/49/1048359849.db2.gz KBNLFHKTRRBUHN-LJQANCHMSA-N 0 3 347.547 4.078 20 10 EICDHN C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(F)ccc1[O-] ZINC000809688986 1048476815 /nfs/dbraw/zinc/47/68/15/1048476815.db2.gz SNTMWDHHIMMALV-UHFFFAOYSA-N 0 3 343.320 4.104 20 10 EICDHN C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cc(F)ccc1[O-] ZINC000809688986 1048476837 /nfs/dbraw/zinc/47/68/37/1048476837.db2.gz SNTMWDHHIMMALV-UHFFFAOYSA-N 0 3 343.320 4.104 20 10 EICDHN Cc1cc(C)c([C@@H](C)NCc2cn3cc(Cl)ccc3n2)c(O)c1 ZINC000815557198 1048507640 /nfs/dbraw/zinc/50/76/40/1048507640.db2.gz OMXBUMZJVZRQNK-CYBMUJFWSA-N 0 3 329.831 4.161 20 10 EICDHN C[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])N(C)C1CC1 ZINC000815576144 1048516124 /nfs/dbraw/zinc/51/61/24/1048516124.db2.gz KNHFIUYWPAAXNK-UWJYYQICSA-N 0 3 338.495 4.138 20 10 EICDHN CC(C)[C@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579550 1048518682 /nfs/dbraw/zinc/51/86/82/1048518682.db2.gz PHAUHQCXJPWIRF-TZIWHRDSSA-N 0 3 327.468 4.063 20 10 EICDHN CCC[C@@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579925 1048520895 /nfs/dbraw/zinc/52/08/95/1048520895.db2.gz YPZBODYLXUBQNK-PZJWPPBQSA-N 0 3 327.468 4.207 20 10 EICDHN C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809756644 1048522159 /nfs/dbraw/zinc/52/21/59/1048522159.db2.gz HQUYQNVGFCKINW-OAQYLSRUSA-N 0 3 325.452 4.186 20 10 EICDHN C[C@]1(CCCO)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809756644 1048522169 /nfs/dbraw/zinc/52/21/69/1048522169.db2.gz HQUYQNVGFCKINW-OAQYLSRUSA-N 0 3 325.452 4.186 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCN1C ZINC000815583956 1048522269 /nfs/dbraw/zinc/52/22/69/1048522269.db2.gz RTCLNYGZVXWRFH-SLYNCCJLSA-N 0 3 338.495 4.138 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000815597867 1048529873 /nfs/dbraw/zinc/52/98/73/1048529873.db2.gz IAEMDVLUJFQGIA-JXFKEZNVSA-N 0 3 325.452 4.173 20 10 EICDHN C[C@@H](CO)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815598895 1048532255 /nfs/dbraw/zinc/53/22/55/1048532255.db2.gz FSMQTTSUGMQETB-YLJYHZDGSA-N 0 3 327.468 4.064 20 10 EICDHN CO[C@@](C)(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815627771 1048553087 /nfs/dbraw/zinc/55/30/87/1048553087.db2.gz JAKRGGDTVKXFIH-UNMCSNQZSA-N 0 3 339.479 4.471 20 10 EICDHN CC[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(C)cc1[O-] ZINC000815645895 1048570479 /nfs/dbraw/zinc/57/04/79/1048570479.db2.gz TWUXITCNVDLKBP-INIZCTEOSA-N 0 3 338.373 4.398 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227897 1048695661 /nfs/dbraw/zinc/69/56/61/1048695661.db2.gz MHJNMXUDSLDHMO-UONOGXRCSA-N 0 3 339.361 4.252 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227896 1048696254 /nfs/dbraw/zinc/69/62/54/1048696254.db2.gz MHJNMXUDSLDHMO-KGLIPLIRSA-N 0 3 339.361 4.252 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000810262136 1048711807 /nfs/dbraw/zinc/71/18/07/1048711807.db2.gz MEFSXUJNDIHAOA-CVEARBPZSA-N 0 3 338.451 4.321 20 10 EICDHN CC[C@@]1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000810242582 1048725410 /nfs/dbraw/zinc/72/54/10/1048725410.db2.gz DXUWTSQGWJEGCR-XOBRGWDASA-N 0 3 329.415 4.060 20 10 EICDHN CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])c2ccccc21 ZINC000846084195 1048810648 /nfs/dbraw/zinc/81/06/48/1048810648.db2.gz VOZNTPBBWXHNIX-MSOLQXFVSA-N 0 3 339.435 4.052 20 10 EICDHN COc1cccc([C@H](C)NCc2ccccc2Br)c1O ZINC000846141722 1048830167 /nfs/dbraw/zinc/83/01/67/1048830167.db2.gz MZAYWPZXBRKUCK-NSHDSACASA-N 0 3 336.229 4.014 20 10 EICDHN Cc1ccc([C@@H](C)N[C@@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000846207180 1048832631 /nfs/dbraw/zinc/83/26/31/1048832631.db2.gz LJNMPWRRAXDXCL-APWZRJJASA-N 0 3 335.451 4.069 20 10 EICDHN C[C@@H]([NH2+][C@H]1CCc2ccc(Br)cc2C1)c1ccccc1[O-] ZINC001170855441 1048902242 /nfs/dbraw/zinc/90/22/42/1048902242.db2.gz ZBICCYDIBRYALX-WBMJQRKESA-N 0 3 346.268 4.363 20 10 EICDHN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CCO1 ZINC000817585778 1049015385 /nfs/dbraw/zinc/01/53/85/1049015385.db2.gz IAAKJRJCTANFHC-FPMFFAJLSA-N 0 3 342.277 4.071 20 10 EICDHN Cc1cc(N)cc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000817982188 1049077096 /nfs/dbraw/zinc/07/70/96/1049077096.db2.gz ZKOSYGZLSAJVLO-LBPRGKRZSA-N 0 3 349.272 4.205 20 10 EICDHN CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000812735720 1049554011 /nfs/dbraw/zinc/55/40/11/1049554011.db2.gz FQZBKFNZVDFRMB-LPHOPBHVSA-N 0 3 342.458 4.407 20 10 EICDHN COc1ccc2oc(CN[C@H](C)c3cc(OC)ccc3O)cc2c1 ZINC000813331391 1049752597 /nfs/dbraw/zinc/75/25/97/1049752597.db2.gz NSOWRXIIBFCMHD-GFCCVEGCSA-N 0 3 327.380 4.006 20 10 EICDHN Cc1n[nH]cc1[C@H](C)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000180326785 1049878654 /nfs/dbraw/zinc/87/86/54/1049878654.db2.gz ZOBQRYVVDXNLEW-HNNXBMFYSA-N 0 3 326.488 4.338 20 10 EICDHN COc1ccc(N2CCC(N[C@@H](C)c3nc(C)sc3C)CC2)cc1 ZINC000772877182 1049879211 /nfs/dbraw/zinc/87/92/11/1049879211.db2.gz WCCXDADTPONXRX-ZDUSSCGKSA-N 0 3 345.512 4.088 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001179437749 1050690613 /nfs/dbraw/zinc/69/06/13/1050690613.db2.gz LUBHELBIOLNBCF-QFIPXVFZSA-N 0 3 348.494 4.260 20 10 EICDHN COc1ccc(CN2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962790 1050848458 /nfs/dbraw/zinc/84/84/58/1050848458.db2.gz SJSRDQWUIDMKPD-CZUORRHYSA-N 0 3 345.439 4.284 20 10 EICDHN Cc1ccc([C@H](C)C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC001180429503 1050987179 /nfs/dbraw/zinc/98/71/79/1050987179.db2.gz BOGQKDNCHNBDFC-NQIIRXRSSA-N 0 3 339.479 4.485 20 10 EICDHN Cc1ccc([C@H](C)C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC001180429503 1050987188 /nfs/dbraw/zinc/98/71/88/1050987188.db2.gz BOGQKDNCHNBDFC-NQIIRXRSSA-N 0 3 339.479 4.485 20 10 EICDHN CC(C)c1ccc(O)c(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC001182053714 1051385318 /nfs/dbraw/zinc/38/53/18/1051385318.db2.gz POMQUOAJAFVEKL-UHFFFAOYSA-N 0 3 328.412 4.449 20 10 EICDHN CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000774160785 1051487956 /nfs/dbraw/zinc/48/79/56/1051487956.db2.gz BDMWMNYXOOHWDL-OLZOCXBDSA-N 0 3 345.314 4.470 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccccc1[O-] ZINC000775483205 1051551187 /nfs/dbraw/zinc/55/11/87/1051551187.db2.gz OXNFZFCZMRCKQU-ZWKOTPCHSA-N 0 3 332.875 4.389 20 10 EICDHN CCOc1c(OC)cc(C[NH2+][C@@H](CC)c2ccccc2[O-])cc1OC ZINC000775499647 1051624271 /nfs/dbraw/zinc/62/42/71/1051624271.db2.gz LMQSQRURFBLUCJ-INIZCTEOSA-N 0 3 345.439 4.049 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1[O-] ZINC000775514111 1051661887 /nfs/dbraw/zinc/66/18/87/1051661887.db2.gz WESCPAGUUGXYSF-ROUUACIJSA-N 0 3 332.875 4.389 20 10 EICDHN CC[C@@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775523907 1051699916 /nfs/dbraw/zinc/69/99/16/1051699916.db2.gz AYFARGCLTAKOLG-CVEARBPZSA-N 0 3 339.357 4.185 20 10 EICDHN COCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCCC1 ZINC001182856852 1051722493 /nfs/dbraw/zinc/72/24/93/1051722493.db2.gz YGYTVMMJFAOINS-UHFFFAOYSA-N 0 3 341.451 4.020 20 10 EICDHN C[C@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000184316751 1051908079 /nfs/dbraw/zinc/90/80/79/1051908079.db2.gz CRZZDQQULRXCCW-HNNXBMFYSA-N 0 3 348.487 4.080 20 10 EICDHN C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2cccc(Cl)c2[O-])CC1 ZINC001184265625 1051980673 /nfs/dbraw/zinc/98/06/73/1051980673.db2.gz UCLIDKRZJGETFW-RDTXWAMCSA-N 0 3 336.907 4.178 20 10 EICDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1[O-] ZINC000184581068 1052086954 /nfs/dbraw/zinc/08/69/54/1052086954.db2.gz ADVMPOHVCGHZMC-ZHRRBRCNSA-N 0 3 333.431 4.443 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)c([O-])c1 ZINC000184835957 1052245975 /nfs/dbraw/zinc/24/59/75/1052245975.db2.gz ZLKLXXZAGMTFOY-RDJZCZTQSA-N 0 3 330.497 4.250 20 10 EICDHN CCOc1cc2c(cc1CN[C@@H](C)c1cc(C)ccc1O)O[C@H](C)C2 ZINC000184897815 1052298580 /nfs/dbraw/zinc/29/85/80/1052298580.db2.gz OTJAVBWZXIBWCY-CABCVRRESA-N 0 3 341.451 4.274 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000185128917 1052448722 /nfs/dbraw/zinc/44/87/22/1052448722.db2.gz RCRLSYUOCSHIIH-HZPDHXFCSA-N 0 3 328.431 4.017 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c([O-])c1 ZINC000185157205 1052494530 /nfs/dbraw/zinc/49/45/30/1052494530.db2.gz YTONRFSRJHZMPU-HOTGVXAUSA-N 0 3 338.451 4.239 20 10 EICDHN C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1[O-] ZINC000185245867 1052549947 /nfs/dbraw/zinc/54/99/47/1052549947.db2.gz TWAJGBFQALPOCR-LSDHHAIUSA-N 0 3 348.487 4.156 20 10 EICDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1cc(F)ccc1[O-] ZINC000185407028 1052595505 /nfs/dbraw/zinc/59/55/05/1052595505.db2.gz GFEWKQUMFINDER-ZUOKHONESA-N 0 3 325.383 4.069 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000186003357 1052841370 /nfs/dbraw/zinc/84/13/70/1052841370.db2.gz OHEXVZREQBEKDX-SJKOYZFVSA-N 0 3 339.357 4.104 20 10 EICDHN COc1cc(CN[C@H](C)c2cccc(O)c2)c(O)c(C(C)(C)C)c1 ZINC000850118845 1053076648 /nfs/dbraw/zinc/07/66/48/1053076648.db2.gz KUNBJZZFJAIVNN-CYBMUJFWSA-N 0 3 329.440 4.255 20 10 EICDHN COC[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccccc1 ZINC000850136351 1053076654 /nfs/dbraw/zinc/07/66/54/1053076654.db2.gz SHUNNPOSUAVPHQ-LJQANCHMSA-N 0 3 343.467 4.176 20 10 EICDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCN(c3ccccc3Cl)C1)CC2 ZINC000850484171 1053255790 /nfs/dbraw/zinc/25/57/90/1053255790.db2.gz DJEVWMLIHVIMKF-WMLDXEAASA-N 0 3 342.870 4.149 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnc(C(F)(F)F)nc2)c1[O-] ZINC000850485317 1053257446 /nfs/dbraw/zinc/25/74/46/1053257446.db2.gz DNQSGOGWVPQUOQ-VIFPVBQESA-N 0 3 345.752 4.014 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)NCc2cnc(C(F)(F)F)nc2)c1O ZINC000850485317 1053257455 /nfs/dbraw/zinc/25/74/55/1053257455.db2.gz DNQSGOGWVPQUOQ-VIFPVBQESA-N 0 3 345.752 4.014 20 10 EICDHN CC[C@@H](N[C@H](COC)c1cccc(OC)c1)c1ccc(N(C)C)cc1 ZINC000850515279 1053273738 /nfs/dbraw/zinc/27/37/38/1053273738.db2.gz VKHMTQJIIPLIIS-NHCUHLMSSA-N 0 3 342.483 4.190 20 10 EICDHN CCN(C)c1ccc(CN(C)Cc2ccc(OC)c(Cl)c2)cc1 ZINC001195224895 1053339131 /nfs/dbraw/zinc/33/91/31/1053339131.db2.gz QJVZZKRASWYQIZ-UHFFFAOYSA-N 0 3 332.875 4.437 20 10 EICDHN CC[C@H]([NH2+]CCc1ccc(OC)cc1OC)c1ccc(C)cc1[O-] ZINC000794804516 1053396114 /nfs/dbraw/zinc/39/61/14/1053396114.db2.gz NKGQOJPLLISHPC-SFHVURJKSA-N 0 3 329.440 4.001 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1[O-] ZINC000794803146 1053396404 /nfs/dbraw/zinc/39/64/04/1053396404.db2.gz QPPKRNHFVCOHLO-FPOVZHCZSA-N 0 3 343.467 4.262 20 10 EICDHN COc1cc(C[N@H+](C)Cc2cc(Cl)cc(C)c2[O-])cc(OC)c1 ZINC000775653480 1053399274 /nfs/dbraw/zinc/39/92/74/1053399274.db2.gz IGQSHBRDSGAMIX-UHFFFAOYSA-N 0 3 335.831 4.003 20 10 EICDHN COc1cc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2[O-])cc(OC)c1 ZINC000775653480 1053399287 /nfs/dbraw/zinc/39/92/87/1053399287.db2.gz IGQSHBRDSGAMIX-UHFFFAOYSA-N 0 3 335.831 4.003 20 10 EICDHN COc1cc(CN(C)Cc2cc(Cl)cc(C)c2O)cc(OC)c1 ZINC000775653480 1053399297 /nfs/dbraw/zinc/39/92/97/1053399297.db2.gz IGQSHBRDSGAMIX-UHFFFAOYSA-N 0 3 335.831 4.003 20 10 EICDHN CC[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794805667 1053409046 /nfs/dbraw/zinc/40/90/46/1053409046.db2.gz YKBSQEXBELIKPA-UXHICEINSA-N 0 3 349.478 4.459 20 10 EICDHN O=[N+]([O-])c1cc(CN(Cc2ccccc2O)C2CCCC2)cs1 ZINC000109797496 1053421908 /nfs/dbraw/zinc/42/19/08/1053421908.db2.gz MDTSVBVHWIRKHH-UHFFFAOYSA-N 0 3 332.425 4.307 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794812348 1053427217 /nfs/dbraw/zinc/42/72/17/1053427217.db2.gz WCOIGSOCNZFLIC-JVPBZIDWSA-N 0 3 331.431 4.393 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794811933 1053428255 /nfs/dbraw/zinc/42/82/55/1053428255.db2.gz ALKXUCJUYCKQTC-LRQRDZAKSA-N 0 3 326.484 4.433 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C)cc1[O-] ZINC000794816988 1053429582 /nfs/dbraw/zinc/42/95/82/1053429582.db2.gz SGXCOFMXQBDNIF-RTBURBONSA-N 0 3 344.499 4.065 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccc(C)cc1[O-] ZINC000794820221 1053435906 /nfs/dbraw/zinc/43/59/06/1053435906.db2.gz ZFUFMIXCZDVWMP-NVXWUHKLSA-N 0 3 337.822 4.267 20 10 EICDHN CC[C@@H]([NH2+][C@H](CCCOC)Cc1ccccc1)c1ccccc1[O-] ZINC000794822229 1053438140 /nfs/dbraw/zinc/43/81/40/1053438140.db2.gz AZMDOIJSCZRASH-UYAOXDASSA-N 0 3 327.468 4.471 20 10 EICDHN COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000794822822 1053438389 /nfs/dbraw/zinc/43/83/89/1053438389.db2.gz CNRRDABQXYXPKL-MJGOQNOKSA-N 0 3 327.468 4.389 20 10 EICDHN CCOc1cccc(CN(Cc2cccs2)C[C@@H]2CCCO2)c1O ZINC000120532525 1053492816 /nfs/dbraw/zinc/49/28/16/1053492816.db2.gz BWXGIKVELSAQNT-INIZCTEOSA-N 0 3 347.480 4.034 20 10 EICDHN CC[C@@H]1C[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000780754118 1053662462 /nfs/dbraw/zinc/66/24/62/1053662462.db2.gz MTSHSUAXACWXNJ-SJLPKXTDSA-N 0 3 329.440 4.193 20 10 EICDHN CC[C@@H]1C[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000780754118 1053662467 /nfs/dbraw/zinc/66/24/67/1053662467.db2.gz MTSHSUAXACWXNJ-SJLPKXTDSA-N 0 3 329.440 4.193 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000853551506 1053686239 /nfs/dbraw/zinc/68/62/39/1053686239.db2.gz HPDCLGWFMJHYMI-OAQYLSRUSA-N 0 3 349.430 4.492 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000853551506 1053686244 /nfs/dbraw/zinc/68/62/44/1053686244.db2.gz HPDCLGWFMJHYMI-OAQYLSRUSA-N 0 3 349.430 4.492 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000853551502 1053686817 /nfs/dbraw/zinc/68/68/17/1053686817.db2.gz HPDCLGWFMJHYMI-NRFANRHFSA-N 0 3 349.430 4.492 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000853551502 1053686825 /nfs/dbraw/zinc/68/68/25/1053686825.db2.gz HPDCLGWFMJHYMI-NRFANRHFSA-N 0 3 349.430 4.492 20 10 EICDHN CC[C@@H](NCc1c(C)cc(C)nc1OC)c1ccc(N(C)C)cc1 ZINC000765666873 1053834604 /nfs/dbraw/zinc/83/46/04/1053834604.db2.gz QWVRAJMFARMMJZ-LJQANCHMSA-N 0 3 327.472 4.014 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122727333 1054028936 /nfs/dbraw/zinc/02/89/36/1054028936.db2.gz WZXLUKOQOWNSFB-HNNXBMFYSA-N 0 3 327.428 4.128 20 10 EICDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000122726871 1054028986 /nfs/dbraw/zinc/02/89/86/1054028986.db2.gz BMUJOXRTYRCZDG-OAHLLOKOSA-N 0 3 327.428 4.128 20 10 EICDHN Cc1ccc([C@@H](C)NCc2ccc3c(c2)CCCN3C)cc1[N+](=O)[O-] ZINC000122927940 1054061198 /nfs/dbraw/zinc/06/11/98/1054061198.db2.gz VSHHZDHIINMJJQ-OAHLLOKOSA-N 0 3 339.439 4.136 20 10 EICDHN C[C@H](NCC(=O)Nc1cccc2ccccc21)c1ccc(N(C)C)cc1 ZINC000775836182 1054118342 /nfs/dbraw/zinc/11/83/42/1054118342.db2.gz KMTGIZZCNNOGOK-INIZCTEOSA-N 0 3 347.462 4.195 20 10 EICDHN CCCOc1ccc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)cc1C ZINC000873050172 1054482779 /nfs/dbraw/zinc/48/27/79/1054482779.db2.gz QSUWFPXWEKBUAO-HNNXBMFYSA-N 0 3 341.455 4.125 20 10 EICDHN CCCOc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000873098377 1054486938 /nfs/dbraw/zinc/48/69/38/1054486938.db2.gz PIUKYNYFWJCDAL-FYSMJZIKSA-N 0 3 345.508 4.372 20 10 EICDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCCc2scnc21 ZINC000858425009 1054487664 /nfs/dbraw/zinc/48/76/64/1054487664.db2.gz AWAVCKLBQXIHJW-YOEHRIQHSA-N 0 3 329.513 4.116 20 10 EICDHN CCOc1ccc(O)c(CN[C@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000873184893 1054504584 /nfs/dbraw/zinc/50/45/84/1054504584.db2.gz KSQJFIQINSAKNS-LLVKDONJSA-N 0 3 340.345 4.056 20 10 EICDHN C[C@H](NCc1cc(N)cc(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000873287655 1054523083 /nfs/dbraw/zinc/52/30/83/1054523083.db2.gz HLYJZQBSHDZIQJ-AWEZNQCLSA-N 0 3 345.437 4.388 20 10 EICDHN Cc1cc(O)c(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1C ZINC000117326411 1054794208 /nfs/dbraw/zinc/79/42/08/1054794208.db2.gz OHEGRAGKZYLLOB-UHFFFAOYSA-N 0 3 341.295 4.326 20 10 EICDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCOc3ccc(F)cc32)cc1 ZINC001202010796 1054978369 /nfs/dbraw/zinc/97/83/69/1054978369.db2.gz QKHGXTJZCHWZIV-GNAXCBTBSA-N 0 3 326.415 4.018 20 10 EICDHN C[C@H](NCc1ccc2ccc(F)c(F)c2n1)c1ccc(N(C)C)cc1 ZINC000877418813 1055049122 /nfs/dbraw/zinc/04/91/22/1055049122.db2.gz HJKFZGUODGVNNK-ZDUSSCGKSA-N 0 3 341.405 4.430 20 10 EICDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)c([O-])c1 ZINC000877543054 1055075628 /nfs/dbraw/zinc/07/56/28/1055075628.db2.gz VXZSMZDYBPITAK-INIZCTEOSA-N 0 3 338.451 4.068 20 10 EICDHN C[C@H]([NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000877758387 1055116446 /nfs/dbraw/zinc/11/64/46/1055116446.db2.gz XLQYOWFZQOVCRA-DJPFJPOOSA-N 0 3 336.479 4.411 20 10 EICDHN COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccccc1[O-])OC(C)C ZINC000186376187 1055415911 /nfs/dbraw/zinc/41/59/11/1055415911.db2.gz UQNMJCARMVHTTR-QRWLVFNGSA-N 0 3 329.440 4.218 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168664432 1056510194 /nfs/dbraw/zinc/51/01/94/1056510194.db2.gz GTBUIIRVUKFWMR-RXVVDRJESA-N 0 3 341.451 4.143 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168664432 1056510227 /nfs/dbraw/zinc/51/02/27/1056510227.db2.gz GTBUIIRVUKFWMR-RXVVDRJESA-N 0 3 341.451 4.143 20 10 EICDHN CCN(Cc1ccccc1)c1ccc(CN[C@H](C)c2cnn(C)c2)cc1 ZINC000742371916 1058596217 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[O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000179917127 1032574709 /nfs/dbraw/zinc/57/47/09/1032574709.db2.gz HSTLIODMDSEFLR-ZDUSSCGKSA-N 0 3 326.371 4.052 20 10 EICDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000179917127 1032574715 /nfs/dbraw/zinc/57/47/15/1032574715.db2.gz HSTLIODMDSEFLR-ZDUSSCGKSA-N 0 3 326.371 4.052 20 10 EICDHN C[C@H](O)C[C@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000275065374 1020072511 /nfs/dbraw/zinc/07/25/11/1020072511.db2.gz XVZUUAVCASLNCC-ABSDTBQOSA-N 0 3 327.468 4.063 20 10 EICDHN COc1ccc(CN[C@H](C)c2ccccc2OC(C)C)c(O)c1OC ZINC000892599329 1022416955 /nfs/dbraw/zinc/41/69/55/1022416955.db2.gz JKVORFDLHWYSQH-CQSZACIVSA-N 0 3 345.439 4.047 20 10 EICDHN Cc1ccc([C@@H](C)N[C@H](c2cnn(C)c2)c2ccccc2)c(O)c1C ZINC000363855264 1022856709 /nfs/dbraw/zinc/85/67/09/1022856709.db2.gz NIAFUAAPEIKGLW-UZLBHIALSA-N 0 3 335.451 4.183 20 10 EICDHN C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000184836125 1022954451 /nfs/dbraw/zinc/95/44/51/1022954451.db2.gz QGPIJMWJNWWJGA-XJKSGUPXSA-N 0 3 334.460 4.081 20 10 EICDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000185612249 1023058579 /nfs/dbraw/zinc/05/85/79/1023058579.db2.gz NHUNUIROTBCECC-ZIAGYGMSSA-N 0 3 325.387 4.129 20 10 EICDHN COC1CCC(C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000891395350 1023206801 /nfs/dbraw/zinc/20/68/01/1023206801.db2.gz YXOOABGMEWIMBP-UHFFFAOYSA-N 0 3 329.440 4.193 20 10 EICDHN COC1CCC(C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000891395350 1023206823 /nfs/dbraw/zinc/20/68/23/1023206823.db2.gz YXOOABGMEWIMBP-UHFFFAOYSA-N 0 3 329.440 4.193 20 10 EICDHN CC(C)(C)[C@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc21 ZINC000662811025 1024073528 /nfs/dbraw/zinc/07/35/28/1024073528.db2.gz UPMRQBOYWNCWLM-IBGZPJMESA-N 0 3 334.463 4.122 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)c1ccccc1[O-] ZINC000302103827 1026282226 /nfs/dbraw/zinc/28/22/26/1026282226.db2.gz KTNQPQLUGBBFHH-HYVNUMGLSA-N 0 3 348.487 4.221 20 10 EICDHN Cc1nc2ccccc2n1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000279781671 1026693835 /nfs/dbraw/zinc/69/38/35/1026693835.db2.gz LKEDQVNHXZCZSP-UHFFFAOYSA-N 0 3 339.414 4.027 20 10 EICDHN COc1ccc(N2CCN(CC[C@H]3CCC[C@H](C)C3)CC2)cc1F ZINC001168069351 1027539724 /nfs/dbraw/zinc/53/97/24/1027539724.db2.gz VETHRVHSLJAHFX-DLBZAZTESA-N 0 3 334.479 4.173 20 10 EICDHN CCc1nc2c(s1)[C@@H](NCc1ccc(N(C)C)c(F)c1)CCC2 ZINC000122448451 1027885337 /nfs/dbraw/zinc/88/53/37/1027885337.db2.gz UFYRLCFACXEBHC-AWEZNQCLSA-N 0 3 333.476 4.078 20 10 EICDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cnc2ccsc2c1 ZINC000122468077 1027887916 /nfs/dbraw/zinc/88/79/16/1027887916.db2.gz MFXLURSEEFRGSB-GFCCVEGCSA-N 0 3 329.444 4.352 20 10 EICDHN CCOc1cc(CNCc2c(C)c3ccccc3n2C)ccc1OC ZINC000475200781 1029433180 /nfs/dbraw/zinc/43/31/80/1029433180.db2.gz BUJJTVCGNWOIGQ-UHFFFAOYSA-N 0 3 338.451 4.184 20 10 EICDHN COc1cc([C@H](C)NCc2c(C)c3ccccc3n2C)ccc1F ZINC000530360365 1030338207 /nfs/dbraw/zinc/33/82/07/1030338207.db2.gz RIVPRFBOKKRTAO-AWEZNQCLSA-N 0 3 326.415 4.485 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1ccc(C)cc1[O-] ZINC000366495610 1033392845 /nfs/dbraw/zinc/39/28/45/1033392845.db2.gz XRWQMQFNLLTGTD-AEFFLSMTSA-N 0 3 327.472 4.076 20 10 EICDHN CC[C@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280237017 1035210219 /nfs/dbraw/zinc/21/02/19/1035210219.db2.gz VQKMCVQVAHJXLM-QRFRQXIXSA-N 0 3 327.468 4.296 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccccc1[O-] ZINC000156342362 1035891981 /nfs/dbraw/zinc/89/19/81/1035891981.db2.gz OLEVVDHZMUEWQL-NVXWUHKLSA-N 0 3 327.449 4.381 20 10 EICDHN COc1cc(Cl)cc(CN2CCC[C@@H]2c2ccccc2OC)c1O ZINC000761194246 1036016817 /nfs/dbraw/zinc/01/68/17/1036016817.db2.gz SBVFHASMHBDMBE-MRXNPFEDSA-N 0 3 347.842 4.400 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1[O-] ZINC000761195207 1036020437 /nfs/dbraw/zinc/02/04/37/1036020437.db2.gz IXZUHDMGYFCWKN-UHFFFAOYSA-N 0 3 347.842 4.172 20 10 EICDHN COc1cc(Cl)cc(C[N@H+](Cc2cccc(O)c2)CC2CC2)c1[O-] ZINC000761195207 1036020457 /nfs/dbraw/zinc/02/04/57/1036020457.db2.gz IXZUHDMGYFCWKN-UHFFFAOYSA-N 0 3 347.842 4.172 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)c1ccccc1[O-] ZINC000272810452 1037301548 /nfs/dbraw/zinc/30/15/48/1037301548.db2.gz CZPNEYZOZONNKL-XHDPSFHLSA-N 0 3 348.240 4.329 20 10 EICDHN COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc(OC)c1OC ZINC000273385107 1037448159 /nfs/dbraw/zinc/44/81/59/1037448159.db2.gz JIZQDRCWDDYYJC-UONOGXRCSA-N 0 3 345.439 4.138 20 10 EICDHN COCC[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccco1 ZINC000273425212 1037459767 /nfs/dbraw/zinc/45/97/67/1037459767.db2.gz KBKFXELNVOHRNC-RDTXWAMCSA-N 0 3 329.440 4.292 20 10 EICDHN COCC[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccco1 ZINC000273425202 1037460326 /nfs/dbraw/zinc/46/03/26/1037460326.db2.gz KBKFXELNVOHRNC-KBXCAEBGSA-N 0 3 329.440 4.292 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1[O-] ZINC000273719874 1037563666 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[O-]c1ccccc1C[N@H+](C[C@H](O)c1c(F)cccc1F)C1CCCC1 ZINC000732205720 1043886788 /nfs/dbraw/zinc/88/67/88/1043886788.db2.gz YFWOAWOPDILJAP-IBGZPJMESA-N 0 3 347.405 4.149 20 10 EICDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(C)s1 ZINC000732202640 1043886813 /nfs/dbraw/zinc/88/68/13/1043886813.db2.gz AFQIRIXNBBVGQM-GOSISDBHSA-N 0 3 331.481 4.252 20 10 EICDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(C)s1 ZINC000732202640 1043886816 /nfs/dbraw/zinc/88/68/16/1043886816.db2.gz AFQIRIXNBBVGQM-GOSISDBHSA-N 0 3 331.481 4.252 20 10 EICDHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccc(F)c(F)c1)CCC2 ZINC000732980091 1044060087 /nfs/dbraw/zinc/06/00/87/1044060087.db2.gz HBTQDDWIRRXKGB-LJQANCHMSA-N 0 3 329.390 4.496 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]CCCCC(=O)OCc2ccccc2)c([O-])c1 ZINC000186520553 1044250068 /nfs/dbraw/zinc/25/00/68/1044250068.db2.gz ZUHNSDZJPUXCGY-QGZVFWFLSA-N 0 3 341.451 4.265 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000766136007 1044323813 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C[C@@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1cccs1 ZINC000740016305 1045179338 /nfs/dbraw/zinc/17/93/38/1045179338.db2.gz MXUTZLHDWLQDAG-HXUWFJFHSA-N 0 3 339.460 4.118 20 10 EICDHN CCN(Cc1ccncc1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000915791479 1045465628 /nfs/dbraw/zinc/46/56/28/1045465628.db2.gz PNNNHWOBZZPUQA-UHFFFAOYSA-N 0 3 328.456 4.115 20 10 EICDHN CCOc1ccc(O)c(CN(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000768161304 1045729903 /nfs/dbraw/zinc/72/99/03/1045729903.db2.gz WXYCNLRKPNYZHR-UHFFFAOYSA-N 0 3 337.366 4.024 20 10 EICDHN COc1ccc2cc(C[N@H+](C)Cc3c([O-])cccc3OC)ccc2c1 ZINC000768204209 1045744264 /nfs/dbraw/zinc/74/42/64/1045744264.db2.gz SCVYVURWDDEJDX-UHFFFAOYSA-N 0 3 337.419 4.195 20 10 EICDHN COc1ccc2cc(CN(C)Cc3c(O)cccc3OC)ccc2c1 ZINC000768204209 1045744255 /nfs/dbraw/zinc/74/42/55/1045744255.db2.gz SCVYVURWDDEJDX-UHFFFAOYSA-N 0 3 337.419 4.195 20 10 EICDHN COc1ccc2cc(C[N@@H+](C)Cc3c([O-])cccc3OC)ccc2c1 ZINC000768204209 1045744278 /nfs/dbraw/zinc/74/42/78/1045744278.db2.gz SCVYVURWDDEJDX-UHFFFAOYSA-N 0 3 337.419 4.195 20 10 EICDHN CCOc1cccc(CN2CCSC[C@@H]2c2ccccc2)c1O ZINC000768249611 1045762686 /nfs/dbraw/zinc/76/26/86/1045762686.db2.gz VYJUEWQWWMNVQW-QGZVFWFLSA-N 0 3 329.465 4.081 20 10 EICDHN COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H](C)c3c1c([O-])ccc3F)CCO2 ZINC000768288163 1045778293 /nfs/dbraw/zinc/77/82/93/1045778293.db2.gz XKNFSMCVXLLGBZ-XFBWCDHKSA-N 0 3 343.398 4.202 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000768537740 1045817089 /nfs/dbraw/zinc/81/70/89/1045817089.db2.gz WVVBFOPRDJRGNY-OAQYLSRUSA-N 0 3 337.394 4.022 20 10 EICDHN C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1[O-] ZINC000768873555 1045849770 /nfs/dbraw/zinc/84/97/70/1045849770.db2.gz QFIGICHXTPSJLS-UHFFFAOYSA-N 0 3 338.363 4.192 20 10 EICDHN C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1[O-] ZINC000768873555 1045849759 /nfs/dbraw/zinc/84/97/59/1045849759.db2.gz QFIGICHXTPSJLS-UHFFFAOYSA-N 0 3 338.363 4.192 20 10 EICDHN CC[C@H](C)Oc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1OC ZINC000768873690 1045851560 /nfs/dbraw/zinc/85/15/60/1045851560.db2.gz UKQUYXPIHXBQTN-HNNXBMFYSA-N 0 3 329.440 4.210 20 10 EICDHN CC[C@H](C)Oc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1OC ZINC000768873690 1045851565 /nfs/dbraw/zinc/85/15/65/1045851565.db2.gz UKQUYXPIHXBQTN-HNNXBMFYSA-N 0 3 329.440 4.210 20 10 EICDHN CN(C)c1ccc(CN2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000768903479 1045855451 /nfs/dbraw/zinc/85/54/51/1045855451.db2.gz NZQTXJVJLKXTHX-UHFFFAOYSA-N 0 3 346.421 4.074 20 10 EICDHN C[C@@H]1CCSCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000792196328 1045875890 /nfs/dbraw/zinc/87/58/90/1045875890.db2.gz IGQSIMWXEXCHCD-MRXNPFEDSA-N 0 3 343.492 4.299 20 10 EICDHN C[C@@H]1CCSCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000792196328 1045875897 /nfs/dbraw/zinc/87/58/97/1045875897.db2.gz IGQSIMWXEXCHCD-MRXNPFEDSA-N 0 3 343.492 4.299 20 10 EICDHN Cc1ccc(O)c(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000769192867 1045885478 /nfs/dbraw/zinc/88/54/78/1045885478.db2.gz VHBYQDPDEXPINM-IBGZPJMESA-N 0 3 329.415 4.021 20 10 EICDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000769209448 1045894313 /nfs/dbraw/zinc/89/43/13/1045894313.db2.gz BZUXYQURAIZWID-UWJYYQICSA-N 0 3 341.451 4.001 20 10 EICDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000769209448 1045894305 /nfs/dbraw/zinc/89/43/05/1045894305.db2.gz BZUXYQURAIZWID-UWJYYQICSA-N 0 3 341.451 4.001 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769309737 1045915027 /nfs/dbraw/zinc/91/50/27/1045915027.db2.gz FYANRGIPAGIVLH-FQEVSTJZSA-N 0 3 333.435 4.093 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769309737 1045915014 /nfs/dbraw/zinc/91/50/14/1045915014.db2.gz FYANRGIPAGIVLH-FQEVSTJZSA-N 0 3 333.435 4.093 20 10 EICDHN Cn1nc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c2ccccc21 ZINC000769382883 1045942369 /nfs/dbraw/zinc/94/23/69/1045942369.db2.gz CPICSBQAKGTEEA-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN Cn1nc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c2ccccc21 ZINC000769382883 1045942380 /nfs/dbraw/zinc/94/23/80/1045942380.db2.gz CPICSBQAKGTEEA-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(N(C)C)c(F)c1)CCC2 ZINC000769404790 1045953633 /nfs/dbraw/zinc/95/36/33/1045953633.db2.gz QAMQYYHLRDTEHI-KRWDZBQOSA-N 0 3 333.476 4.166 20 10 EICDHN CN(C)c1ccc(CN[C@@H](c2cccnc2)C2CC2)c(C(F)(F)F)c1 ZINC000793025460 1046132554 /nfs/dbraw/zinc/13/25/54/1046132554.db2.gz DOQAYXNUNCIUMK-GOSISDBHSA-N 0 3 349.400 4.407 20 10 EICDHN COc1ccc(CNCc2ccc(-c3cccc(F)c3C)o2)c(O)c1 ZINC000793386516 1046228592 /nfs/dbraw/zinc/22/85/92/1046228592.db2.gz VEVUVUKGBYBMGO-UHFFFAOYSA-N 0 3 341.382 4.398 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccc(-c3cccc(F)c3C)o2)c([O-])c1 ZINC000793386516 1046228610 /nfs/dbraw/zinc/22/86/10/1046228610.db2.gz VEVUVUKGBYBMGO-UHFFFAOYSA-N 0 3 341.382 4.398 20 10 EICDHN COc1cccc([O-])c1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000770664033 1046244065 /nfs/dbraw/zinc/24/40/65/1046244065.db2.gz JQGVWKUNMZLFLA-UHFFFAOYSA-N 0 3 333.378 4.059 20 10 EICDHN Cc1cc([C@@H](C)NCc2ccc(N(C)C3CCCCC3)cc2)n(C)n1 ZINC000793530181 1046295093 /nfs/dbraw/zinc/29/50/93/1046295093.db2.gz WIEJBZKXQFTKRW-QGZVFWFLSA-N 0 3 340.515 4.348 20 10 EICDHN Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000786158493 1046813206 /nfs/dbraw/zinc/81/32/06/1046813206.db2.gz OELRRDOEXIMHKT-QFIPXVFZSA-N 0 3 347.458 4.061 20 10 EICDHN COC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000786915992 1046881534 /nfs/dbraw/zinc/88/15/34/1046881534.db2.gz GJHWHLJIMSASIR-IFXJQAMLSA-N 0 3 332.875 4.444 20 10 EICDHN COC[C@H](NCc1cc(Cl)cc(C)c1O)c1ccc(Cl)cc1 ZINC000787302415 1046985388 /nfs/dbraw/zinc/98/53/88/1046985388.db2.gz LUCAXLZJMDDQRQ-INIZCTEOSA-N 0 3 340.250 4.485 20 10 EICDHN COC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])c1ccc(Cl)cc1 ZINC000787302415 1046985368 /nfs/dbraw/zinc/98/53/68/1046985368.db2.gz LUCAXLZJMDDQRQ-INIZCTEOSA-N 0 3 340.250 4.485 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000787313865 1046995120 /nfs/dbraw/zinc/99/51/20/1046995120.db2.gz IIIKJPSMNSYXOI-UHFFFAOYSA-N 0 3 342.345 4.148 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000806181567 1047192642 /nfs/dbraw/zinc/19/26/42/1047192642.db2.gz YBRYFVVKFDIHLT-PVXIVEMSSA-N 0 3 349.833 4.099 20 10 EICDHN CSC1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CCC1 ZINC000788606932 1047246293 /nfs/dbraw/zinc/24/62/93/1047246293.db2.gz SCCLDERQICOARN-LLVKDONJSA-N 0 3 344.318 4.399 20 10 EICDHN COc1ccc2ccc(O)c(CN3CCC[C@H]3c3cc(C)on3)c2c1 ZINC000747448176 1047586668 /nfs/dbraw/zinc/58/66/68/1047586668.db2.gz CLJGTYJAKBKYSK-IBGZPJMESA-N 0 3 338.407 4.188 20 10 EICDHN CCOc1ccc(CNCc2ccc(-c3ccco3)cc2F)c(O)c1 ZINC000790484961 1047596189 /nfs/dbraw/zinc/59/61/89/1047596189.db2.gz WOKYVTXBSDVHGN-UHFFFAOYSA-N 0 3 341.382 4.480 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC1CC(F)(F)C1 ZINC000814169801 1047871472 /nfs/dbraw/zinc/87/14/72/1047871472.db2.gz MPMNJNUPNSHKSM-UHFFFAOYSA-N 0 3 333.378 4.106 20 10 EICDHN CC(F)(F)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824477487 1047872645 /nfs/dbraw/zinc/87/26/45/1047872645.db2.gz SYSOWIDOVDQDQT-UHFFFAOYSA-N 0 3 335.394 4.496 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000824751586 1047938393 /nfs/dbraw/zinc/93/83/93/1047938393.db2.gz ZWKXVHSTSBLCFJ-KRWDZBQOSA-N 0 3 337.463 4.498 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1[O-] ZINC000808691770 1048039850 /nfs/dbraw/zinc/03/98/50/1048039850.db2.gz RDPLQRLBFOAMSS-ZDUSSCGKSA-N 0 3 347.842 4.366 20 10 EICDHN COCc1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])ccc1F ZINC000808694102 1048041846 /nfs/dbraw/zinc/04/18/46/1048041846.db2.gz BDLNCMHBKLXUMJ-GFCCVEGCSA-N 0 3 337.822 4.490 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1[O-] ZINC000808674308 1048047089 /nfs/dbraw/zinc/04/70/89/1048047089.db2.gz DNFRULZABXKQJF-AWEZNQCLSA-N 0 3 341.842 4.391 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1[O-] ZINC000808707296 1048052295 /nfs/dbraw/zinc/05/22/95/1048052295.db2.gz KMAHLTZGOQPATJ-BDJLRTHQSA-N 0 3 340.250 4.392 20 10 EICDHN COc1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1C ZINC000825312435 1048072873 /nfs/dbraw/zinc/07/28/73/1048072873.db2.gz SSZSMESTYACZPQ-SFHVURJKSA-N 0 3 331.481 4.059 20 10 EICDHN Cn1nccc1C1=CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000809689980 1048455260 /nfs/dbraw/zinc/45/52/60/1048455260.db2.gz GVAVZZVKNGYULR-UHFFFAOYSA-N 0 3 345.446 4.082 20 10 EICDHN Cn1nccc1C1=CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000809689980 1048455284 /nfs/dbraw/zinc/45/52/84/1048455284.db2.gz GVAVZZVKNGYULR-UHFFFAOYSA-N 0 3 345.446 4.082 20 10 EICDHN COCCCOc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000809689604 1048475646 /nfs/dbraw/zinc/47/56/46/1048475646.db2.gz RQHXPWIQBCPSRQ-UHFFFAOYSA-N 0 3 349.858 4.059 20 10 EICDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000844720531 1048478480 /nfs/dbraw/zinc/47/84/80/1048478480.db2.gz UAVPAHKCVLTVGM-UHFFFAOYSA-N 0 3 339.332 4.412 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@]4(CC4(F)F)C3)c2c1 ZINC000844745758 1048485309 /nfs/dbraw/zinc/48/53/09/1048485309.db2.gz GIBUWMDHEDTVEC-SFHVURJKSA-N 0 3 333.378 4.175 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@]4(CC4(F)F)C3)c2c1 ZINC000844745758 1048485318 /nfs/dbraw/zinc/48/53/18/1048485318.db2.gz GIBUWMDHEDTVEC-SFHVURJKSA-N 0 3 333.378 4.175 20 10 EICDHN COc1cccc(CNCc2ccc(-c3cccc(F)c3F)o2)c1O ZINC000809740355 1048512125 /nfs/dbraw/zinc/51/21/25/1048512125.db2.gz VGOXVERJPLRLCD-UHFFFAOYSA-N 0 3 345.345 4.229 20 10 EICDHN CCc1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])[nH]n1 ZINC000815580017 1048520610 /nfs/dbraw/zinc/52/06/10/1048520610.db2.gz AMGJLDGDFGMBKN-HXUWFJFHSA-N 0 3 335.451 4.141 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOc1cccnc1 ZINC000815580054 1048521298 /nfs/dbraw/zinc/52/12/98/1048521298.db2.gz BGDOUCGYMIJPFT-OAQYLSRUSA-N 0 3 348.446 4.130 20 10 EICDHN CCc1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])[nH]n1 ZINC000815580016 1048521443 /nfs/dbraw/zinc/52/14/43/1048521443.db2.gz AMGJLDGDFGMBKN-FQEVSTJZSA-N 0 3 335.451 4.141 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000815582715 1048522688 /nfs/dbraw/zinc/52/26/88/1048522688.db2.gz NRLUDYLVEXMMKF-DYXWJJEUSA-N 0 3 339.479 4.207 20 10 EICDHN CC1(O)CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815586500 1048523535 /nfs/dbraw/zinc/52/35/35/1048523535.db2.gz KIKSLGLLRTYMTI-AATLZSDMSA-N 0 3 339.479 4.349 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCc1ccncc1 ZINC000815589592 1048527740 /nfs/dbraw/zinc/52/77/40/1048527740.db2.gz YAMQDVDNSCOUAP-NRFANRHFSA-N 0 3 332.447 4.293 20 10 EICDHN CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCOCC1 ZINC000815596430 1048530152 /nfs/dbraw/zinc/53/01/52/1048530152.db2.gz TYGFOTIXVDMKBY-HXUWFJFHSA-N 0 3 339.479 4.472 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@H](CC)c2ccccc2OC)c([O-])c1 ZINC000809781323 1048530706 /nfs/dbraw/zinc/53/07/06/1048530706.db2.gz QHDVJNGAJLMHNJ-GOSISDBHSA-N 0 3 329.440 4.383 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@H](CC)c2ccccc2OC)c([O-])c1 ZINC000809781323 1048530723 /nfs/dbraw/zinc/53/07/23/1048530723.db2.gz QHDVJNGAJLMHNJ-GOSISDBHSA-N 0 3 329.440 4.383 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCSC1 ZINC000815622297 1048548545 /nfs/dbraw/zinc/54/85/45/1048548545.db2.gz RDAPQYFAANRENR-HKUYNNGSSA-N 0 3 327.493 4.409 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOC1CCC1 ZINC000815606871 1048557522 /nfs/dbraw/zinc/55/75/22/1048557522.db2.gz JLBCRSPFZYZBIS-FQEVSTJZSA-N 0 3 325.452 4.225 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c([O-])c1 ZINC000815647222 1048570110 /nfs/dbraw/zinc/57/01/10/1048570110.db2.gz CHRPIXDSMUURBJ-LSDHHAIUSA-N 0 3 339.414 4.437 20 10 EICDHN CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207123 1048703655 /nfs/dbraw/zinc/70/36/55/1048703655.db2.gz GZESVBDKPDSYCG-MRXNPFEDSA-N 0 3 342.405 4.079 20 10 EICDHN COc1cccc([C@@H](C)NCc2ccccc2OC2CCC2)c1O ZINC000846153414 1048824537 /nfs/dbraw/zinc/82/45/37/1048824537.db2.gz YHEVFJSGGLINDA-CQSZACIVSA-N 0 3 327.424 4.183 20 10 EICDHN [O-]c1c(C[NH2+]CCCN2CCc3ccccc3C2)ccc2ccccc21 ZINC000816532408 1048825303 /nfs/dbraw/zinc/82/53/03/1048825303.db2.gz FVULKTIFHCMNNI-UHFFFAOYSA-N 0 3 346.474 4.083 20 10 EICDHN COc1cccc([C@H](C)N[C@H]2CCCOc3c(F)cccc32)c1O ZINC000846162901 1048827104 /nfs/dbraw/zinc/82/71/04/1048827104.db2.gz NOTPEVHREUQTHL-LRDDRELGSA-N 0 3 331.387 4.104 20 10 EICDHN COC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846164949 1048827572 /nfs/dbraw/zinc/82/75/72/1048827572.db2.gz JJGTUBATYHZVRD-MLGOLLRUSA-N 0 3 335.831 4.093 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCC1(CO)CCC1 ZINC000846209921 1048834426 /nfs/dbraw/zinc/83/44/26/1048834426.db2.gz IVMWGDODOGYZHN-HXUWFJFHSA-N 0 3 339.479 4.208 20 10 EICDHN C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)ccc1[O-] ZINC000817975666 1049074159 /nfs/dbraw/zinc/07/41/59/1049074159.db2.gz PRIQVTGHRGYUFJ-MEDUHNTESA-N 0 3 330.403 4.067 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984802 1049077206 /nfs/dbraw/zinc/07/72/06/1049077206.db2.gz AFZXUDOJUNIDAW-RISCZKNCSA-N 0 3 343.298 4.414 20 10 EICDHN C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985396 1049079425 /nfs/dbraw/zinc/07/94/25/1049079425.db2.gz JTPANQCURQXNOG-MNOVXSKESA-N 0 3 329.271 4.024 20 10 EICDHN Cc1cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000811804058 1049274099 /nfs/dbraw/zinc/27/40/99/1049274099.db2.gz ZTKBKTNDGVDOCQ-MRXNPFEDSA-N 0 3 347.890 4.295 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000179585498 1049681008 /nfs/dbraw/zinc/68/10/08/1049681008.db2.gz MYSXWHWBFAHBPF-AEFFLSMTSA-N 0 3 331.481 4.322 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000179585498 1049681017 /nfs/dbraw/zinc/68/10/17/1049681017.db2.gz MYSXWHWBFAHBPF-AEFFLSMTSA-N 0 3 331.481 4.322 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2cnc(C3CCCC3)s2)c1 ZINC000813330729 1049753557 /nfs/dbraw/zinc/75/35/57/1049753557.db2.gz FSBIRMVXXFDLRB-GFCCVEGCSA-N 0 3 332.469 4.366 20 10 EICDHN CCC[N@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccccc1[O-] ZINC000179929482 1049806140 /nfs/dbraw/zinc/80/61/40/1049806140.db2.gz RUILOOYYXFFQDP-UHFFFAOYSA-N 0 3 341.480 4.266 20 10 EICDHN CCC[N@@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccccc1[O-] ZINC000179929482 1049806141 /nfs/dbraw/zinc/80/61/41/1049806141.db2.gz RUILOOYYXFFQDP-UHFFFAOYSA-N 0 3 341.480 4.266 20 10 EICDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H]1OCCc2sccc21 ZINC000813885820 1049831291 /nfs/dbraw/zinc/83/12/91/1049831291.db2.gz XVDJDEOVXVIRIV-RRNCYLGRSA-N 0 3 347.455 4.433 20 10 EICDHN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000823671253 1049868156 /nfs/dbraw/zinc/86/81/56/1049868156.db2.gz KQOSDOXQAVIKCY-OKILXGFUSA-N 0 3 348.487 4.099 20 10 EICDHN CN(Cc1ccncc1)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824153202 1049902882 /nfs/dbraw/zinc/90/28/82/1049902882.db2.gz DASBFCFPNZHQKN-UHFFFAOYSA-N 0 3 337.492 4.412 20 10 EICDHN CCOCc1cc(CNCc2ccc(F)c(Cl)c2)ccc1OC ZINC001177590761 1050262118 /nfs/dbraw/zinc/26/21/18/1050262118.db2.gz YLCBZWFXOKMRHN-UHFFFAOYSA-N 0 3 337.822 4.314 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079043 1050294527 /nfs/dbraw/zinc/29/45/27/1050294527.db2.gz VDPFXCFODKBTHE-DOTOQJQBSA-N 0 3 348.487 4.002 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079043 1050294532 /nfs/dbraw/zinc/29/45/32/1050294532.db2.gz VDPFXCFODKBTHE-DOTOQJQBSA-N 0 3 348.487 4.002 20 10 EICDHN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccccc1[O-] ZINC001173083034 1050297723 /nfs/dbraw/zinc/29/77/23/1050297723.db2.gz PQOSMIJWDJJFNK-LBPRGKRZSA-N 0 3 325.330 4.012 20 10 EICDHN CCCOc1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1C ZINC001178528078 1050491811 /nfs/dbraw/zinc/49/18/11/1050491811.db2.gz JBRHGQJLWJGUBH-UHFFFAOYSA-N 0 3 327.468 4.301 20 10 EICDHN CC(C)(CC[NH+]1CCCCCC1)NCc1cc(Cl)cc(F)c1[O-] ZINC001178528800 1050493671 /nfs/dbraw/zinc/49/36/71/1050493671.db2.gz PSYWGIJOEBYLIV-UHFFFAOYSA-N 0 3 342.886 4.319 20 10 EICDHN C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000763522633 1050614254 /nfs/dbraw/zinc/61/42/54/1050614254.db2.gz FMPVWFFEAUZJOU-FOIQADDNSA-N 0 3 337.419 4.254 20 10 EICDHN C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000763522639 1050614301 /nfs/dbraw/zinc/61/43/01/1050614301.db2.gz FMPVWFFEAUZJOU-QRWLVFNGSA-N 0 3 337.419 4.254 20 10 EICDHN Cc1c2ccccc2n(C)c1CN[C@@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001179788750 1050778858 /nfs/dbraw/zinc/77/88/58/1050778858.db2.gz DOJUKMOJNSBEFK-WAIKUNEKSA-N 0 3 348.490 4.361 20 10 EICDHN CN(C)c1ccc(CN(C)Cc2cc3c(ccnc3Cl)o2)cc1 ZINC001179844798 1050792287 /nfs/dbraw/zinc/79/22/87/1050792287.db2.gz CJBVAQARRYKBPX-UHFFFAOYSA-N 0 3 329.831 4.179 20 10 EICDHN CCCN(Cc1ccccc1O)Cc1cc(OC)c(OC)cc1Cl ZINC001180188895 1050897222 /nfs/dbraw/zinc/89/72/22/1050897222.db2.gz LEVLPYHCRIJSSW-UHFFFAOYSA-N 0 3 349.858 4.475 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC000775416796 1051291431 /nfs/dbraw/zinc/29/14/31/1051291431.db2.gz XWZXJECCZYKMIC-RDJZCZTQSA-N 0 3 340.250 4.473 20 10 EICDHN Cc1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000774483411 1051615145 /nfs/dbraw/zinc/61/51/45/1051615145.db2.gz KGHBTFADFOJBRU-SJORKVTESA-N 0 3 339.483 4.047 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000775508386 1051641580 /nfs/dbraw/zinc/64/15/80/1051641580.db2.gz UJMVRRIDXBCFEJ-OXQOHEQNSA-N 0 3 340.467 4.111 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccccc1[O-] ZINC000775509135 1051649256 /nfs/dbraw/zinc/64/92/56/1051649256.db2.gz ZSXGZZJKYBTIDY-ICSRJNTNSA-N 0 3 327.468 4.464 20 10 EICDHN CC[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccccc1[O-] ZINC000775514093 1051662942 /nfs/dbraw/zinc/66/29/42/1051662942.db2.gz VTHCIRACBVUINX-RBUKOAKNSA-N 0 3 335.451 4.150 20 10 EICDHN CC[C@H]([NH2+][C@@H](CC)[C@@H](O)c1c(F)cccc1F)c1ccccc1[O-] ZINC000775524531 1051710273 /nfs/dbraw/zinc/71/02/73/1051710273.db2.gz BJZMKVSPHWTXMN-TXPKVOOTSA-N 0 3 335.394 4.223 20 10 EICDHN CC[C@H](Nc1ccc(N2CCN(CC)CC2)cc1)c1ccccc1O ZINC000775532113 1051747497 /nfs/dbraw/zinc/74/74/97/1051747497.db2.gz MGHGDYKPOXAIAC-FQEVSTJZSA-N 0 3 339.483 4.097 20 10 EICDHN CC(=O)Nc1cccc2c1CN(Cc1cc(C(C)C)ccc1O)CC2 ZINC001183291576 1051820132 /nfs/dbraw/zinc/82/01/32/1051820132.db2.gz JXXMBBFKBCLUKK-UHFFFAOYSA-N 0 3 338.451 4.032 20 10 EICDHN CC[C@H](NCc1nc2cccc(Cl)c2n1C)c1ccccc1O ZINC000775557695 1051838784 /nfs/dbraw/zinc/83/87/84/1051838784.db2.gz HIAQSIIAGFEJBG-AWEZNQCLSA-N 0 3 329.831 4.173 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)c2c1c(F)ccc2[O-] ZINC000775568472 1051863533 /nfs/dbraw/zinc/86/35/33/1051863533.db2.gz LHWGEPIMVFJWDF-WBMJQRKESA-N 0 3 329.415 4.097 20 10 EICDHN CN(C)Cc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001176295634 1051980435 /nfs/dbraw/zinc/98/04/35/1051980435.db2.gz JRWCBRZRHQKLPX-UHFFFAOYSA-N 0 3 331.419 4.118 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H]2Cc2ccccc2)c1[O-] ZINC001184338516 1051995870 /nfs/dbraw/zinc/99/58/70/1051995870.db2.gz MRZICUCFZZERPD-GJZGRUSLSA-N 0 3 331.843 4.023 20 10 EICDHN CCOc1cc2c(cc1CN[C@@H](C)c1cc(C)ccc1O)O[C@@H](C)C2 ZINC000184897857 1052298412 /nfs/dbraw/zinc/29/84/12/1052298412.db2.gz OTJAVBWZXIBWCY-GJZGRUSLSA-N 0 3 341.451 4.274 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(C(F)F)nc1 ZINC000850430724 1053205449 /nfs/dbraw/zinc/20/54/49/1053205449.db2.gz OVMKBWFCWQJOJO-CYBMUJFWSA-N 0 3 331.410 4.252 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]CCc2noc3ccccc32)c2c1c(F)ccc2[O-] ZINC000850482558 1053253825 /nfs/dbraw/zinc/25/38/25/1053253825.db2.gz KAVLKGXHAVLEHB-ABAIWWIYSA-N 0 3 326.371 4.053 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850523277 1053281354 /nfs/dbraw/zinc/28/13/54/1053281354.db2.gz FCYFXQBBUKGZMX-QUCCMNQESA-N 0 3 337.463 4.367 20 10 EICDHN COc1ccc(-c2cc(CN[C@@H](C)c3ccc(C)cc3O)on2)cc1 ZINC000850524554 1053286306 /nfs/dbraw/zinc/28/63/06/1053286306.db2.gz CGPKUVPPYWPNAS-AWEZNQCLSA-N 0 3 338.407 4.215 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000850539220 1053302014 /nfs/dbraw/zinc/30/20/14/1053302014.db2.gz CCABCQWYWIREQR-NOZJJQNGSA-N 0 3 328.250 4.003 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000850558953 1053315108 /nfs/dbraw/zinc/31/51/08/1053315108.db2.gz YCTMMQUTZJVWLP-APPDUMDISA-N 0 3 340.250 4.392 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1SCCS1 ZINC000850562062 1053317933 /nfs/dbraw/zinc/31/79/33/1053317933.db2.gz SQAQCLBTUUETFR-KRWDZBQOSA-N 0 3 345.533 4.462 20 10 EICDHN C[C@H](NCc1cc(F)ccc1OC(F)F)c1cc(F)ccc1O ZINC000850570001 1053324911 /nfs/dbraw/zinc/32/49/11/1053324911.db2.gz PRPPVGOQEWFDHE-VIFPVBQESA-N 0 3 329.293 4.123 20 10 EICDHN Cc1cc(Br)cc(CN(C)Cc2ccsc2)c1O ZINC000775645001 1053330190 /nfs/dbraw/zinc/33/01/90/1053330190.db2.gz ZYIRDJFRWBWSMT-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN Cc1cc(Br)cc(C[N@H+](C)Cc2ccsc2)c1[O-] ZINC000775645001 1053330206 /nfs/dbraw/zinc/33/02/06/1053330206.db2.gz ZYIRDJFRWBWSMT-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN Cc1cc(Br)cc(C[N@@H+](C)Cc2ccsc2)c1[O-] ZINC000775645001 1053330220 /nfs/dbraw/zinc/33/02/20/1053330220.db2.gz ZYIRDJFRWBWSMT-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794800230 1053384155 /nfs/dbraw/zinc/38/41/55/1053384155.db2.gz BNERWENPVVABNR-MRXNPFEDSA-N 0 3 347.842 4.366 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1cccc(OC)c1)N(C)C)c1ccc(C)cc1[O-] ZINC000794792889 1053387615 /nfs/dbraw/zinc/38/76/15/1053387615.db2.gz GZVPTXIQYUBHPL-VQTJNVASSA-N 0 3 342.483 4.053 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C)cc1[O-] ZINC000794806040 1053405130 /nfs/dbraw/zinc/40/51/30/1053405130.db2.gz ZQSBFHQCQYIQFT-OXJNMPFZSA-N 0 3 342.458 4.407 20 10 EICDHN Cc1cccc(CN(C)Cc2csc(Br)c2)c1O ZINC000775659481 1053422421 /nfs/dbraw/zinc/42/24/21/1053422421.db2.gz IBLRICNSZAOGKG-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN CC[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000794818555 1053431723 /nfs/dbraw/zinc/43/17/23/1053431723.db2.gz UAWXMYAWJUIYTP-ICSRJNTNSA-N 0 3 325.452 4.255 20 10 EICDHN C[C@@H]([NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000794832660 1053462381 /nfs/dbraw/zinc/46/23/81/1053462381.db2.gz ARQFRQQOYHGJMY-OAHLLOKOSA-N 0 3 346.471 4.000 20 10 EICDHN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001195862486 1053509961 /nfs/dbraw/zinc/50/99/61/1053509961.db2.gz MCNAKODYHJMAGU-UXHICEINSA-N 0 3 330.516 4.375 20 10 EICDHN CC[C@H](CC(F)F)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851841918 1053522894 /nfs/dbraw/zinc/52/28/94/1053522894.db2.gz ZUMARYQPOJIVDK-ZBFHGGJFSA-N 0 3 327.415 4.055 20 10 EICDHN CC[C@H](CC(F)F)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851841918 1053522908 /nfs/dbraw/zinc/52/29/08/1053522908.db2.gz ZUMARYQPOJIVDK-ZBFHGGJFSA-N 0 3 327.415 4.055 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cnn(-c2ccccc2)c1 ZINC000765480192 1053561528 /nfs/dbraw/zinc/56/15/28/1053561528.db2.gz LGGORAOXZDKBHP-QGZVFWFLSA-N 0 3 346.478 4.106 20 10 EICDHN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc2c(c1)CCCN2C ZINC000765478857 1053562772 /nfs/dbraw/zinc/56/27/72/1053562772.db2.gz GMMOCRVITDCDBC-FQEVSTJZSA-N 0 3 336.479 4.381 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCO2)c1cc2c(ccnc2Cl)o1 ZINC000866252416 1053665739 /nfs/dbraw/zinc/66/57/39/1053665739.db2.gz JEILKFPEDXGRJF-NSHDSACASA-N 0 3 328.799 4.267 20 10 EICDHN COc1cc(O)c(CN2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cc1OC ZINC000775735500 1053715775 /nfs/dbraw/zinc/71/57/75/1053715775.db2.gz QFPVAIQYKAQIFD-CJNGLKHVSA-N 0 3 345.439 4.284 20 10 EICDHN COc1cc(O)c(CN2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cc1OC ZINC000775735501 1053716354 /nfs/dbraw/zinc/71/63/54/1053716354.db2.gz QFPVAIQYKAQIFD-CZUORRHYSA-N 0 3 345.439 4.284 20 10 EICDHN CC[C@@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000866407914 1053716955 /nfs/dbraw/zinc/71/69/55/1053716955.db2.gz YTSZGKLZRAEDIN-HZPDHXFCSA-N 0 3 339.357 4.185 20 10 EICDHN Cc1scc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1C ZINC000866430520 1053728598 /nfs/dbraw/zinc/72/85/98/1053728598.db2.gz VKODVOHGKZCDSG-CQSZACIVSA-N 0 3 348.487 4.191 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)cc1[O-] ZINC000866485454 1053748910 /nfs/dbraw/zinc/74/89/10/1053748910.db2.gz LKXWHBYNIQWECP-WFASDCNBSA-N 0 3 326.396 4.349 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)cc1[O-] ZINC000866485451 1053750551 /nfs/dbraw/zinc/75/05/51/1053750551.db2.gz LKXWHBYNIQWECP-DOMZBBRYSA-N 0 3 326.396 4.349 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCC2(C)C)c1[O-] ZINC001205951997 1053770009 /nfs/dbraw/zinc/77/00/09/1053770009.db2.gz NHNNQYJFKVASFU-ZDUSSCGKSA-N 0 3 326.278 4.379 20 10 EICDHN Oc1ccc2ccccc2c1CN1CCO[C@@H](c2ccsc2)C1 ZINC000122184222 1053907467 /nfs/dbraw/zinc/90/74/67/1053907467.db2.gz HKINGIKARFYGQS-LJQANCHMSA-N 0 3 325.433 4.180 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)c([O-])c1 ZINC000776809660 1053918381 /nfs/dbraw/zinc/91/83/81/1053918381.db2.gz TYRGCXOHYXASOB-LBPRGKRZSA-N 0 3 328.437 4.251 20 10 EICDHN COc1ccc([C@H](NCc2cc(OC)ccc2O)c2ccccc2)cc1 ZINC000775778496 1053940924 /nfs/dbraw/zinc/94/09/24/1053940924.db2.gz TZIOQPTVCZXMTG-JOCHJYFZSA-N 0 3 349.430 4.289 20 10 EICDHN COc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)ccc1SC ZINC000122464765 1053972347 /nfs/dbraw/zinc/97/23/47/1053972347.db2.gz OCNHSUKZPPZVTE-CYBMUJFWSA-N 0 3 348.487 4.473 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000122681770 1054018663 /nfs/dbraw/zinc/01/86/63/1054018663.db2.gz OLNNADNBVHCIPO-LJQANCHMSA-N 0 3 328.431 4.204 20 10 EICDHN Cc1cc(Cl)ccc1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775829554 1054099906 /nfs/dbraw/zinc/09/99/06/1054099906.db2.gz ZQXLTKOLIDPOAR-AWEZNQCLSA-N 0 3 345.874 4.004 20 10 EICDHN COc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c(C)c1OC ZINC000796725544 1054121780 /nfs/dbraw/zinc/12/17/80/1054121780.db2.gz XERMTABFJZSFEZ-CQSZACIVSA-N 0 3 346.446 4.068 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1[O-] ZINC000857082448 1054175114 /nfs/dbraw/zinc/17/51/14/1054175114.db2.gz VOGSFTVMRKALOM-NXEZZACHSA-N 0 3 334.204 4.159 20 10 EICDHN C[C@@H](N[C@H](CO)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000123610654 1054211746 /nfs/dbraw/zinc/21/17/46/1054211746.db2.gz UIDUFMLIPZTGQT-XMSQKQJNSA-N 0 3 338.495 4.451 20 10 EICDHN C[C@@H](NCc1cc(C(F)(F)F)cc(Cl)n1)c1ccccc1O ZINC000872117958 1054397287 /nfs/dbraw/zinc/39/72/87/1054397287.db2.gz XVTRWLYQPOMEAS-SECBINFHSA-N 0 3 330.737 4.310 20 10 EICDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000776005934 1054443404 /nfs/dbraw/zinc/44/34/04/1054443404.db2.gz KINYWCKRITYKIC-UHFFFAOYSA-N 0 3 349.430 4.270 20 10 EICDHN COc1cccc(O)c1CNCc1ccc(OCc2ccccc2)cc1 ZINC000776005934 1054443410 /nfs/dbraw/zinc/44/34/10/1054443410.db2.gz KINYWCKRITYKIC-UHFFFAOYSA-N 0 3 349.430 4.270 20 10 EICDHN CCn1nc(C)c(CNCc2cc(C)n(-c3ccccc3)c2C)c1C ZINC000858294445 1054455855 /nfs/dbraw/zinc/45/58/55/1054455855.db2.gz ZSVLPIGEYFKFDY-UHFFFAOYSA-N 0 3 336.483 4.217 20 10 EICDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000124325987 1054473022 /nfs/dbraw/zinc/47/30/22/1054473022.db2.gz NVOIVZRTSUGJAS-CABCVRRESA-N 0 3 328.456 4.182 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000858442786 1054491626 /nfs/dbraw/zinc/49/16/26/1054491626.db2.gz MKJDCKAITQAMCQ-QUCCMNQESA-N 0 3 329.440 4.138 20 10 EICDHN C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490686 1054499533 /nfs/dbraw/zinc/49/95/33/1054499533.db2.gz LVGFHFKAJHLFLV-NEPJUHHUSA-N 0 3 331.287 4.082 20 10 EICDHN Cc1ncccc1CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000858519323 1054508148 /nfs/dbraw/zinc/50/81/48/1054508148.db2.gz ZOCIGLWXJGOCMT-OAHLLOKOSA-N 0 3 327.447 4.370 20 10 EICDHN Cc1noc(-c2ccc(CNCc3c(C)c4ccccc4n3C)cc2)n1 ZINC001201902305 1054939019 /nfs/dbraw/zinc/93/90/19/1054939019.db2.gz WKPIOWHDRJLTIX-UHFFFAOYSA-N 0 3 346.434 4.135 20 10 EICDHN COc1ccc(C[NH2+][C@H](C)CCc2cncc3ccccc32)c([O-])c1 ZINC000877493251 1055062831 /nfs/dbraw/zinc/06/28/31/1055062831.db2.gz IQWHDNVGAARZAL-OAHLLOKOSA-N 0 3 336.435 4.060 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1[O-] ZINC000862538769 1055080301 /nfs/dbraw/zinc/08/03/01/1055080301.db2.gz FKJNUPASJUQDGW-OAHLLOKOSA-N 0 3 338.234 4.485 20 10 EICDHN C[C@H](CCO)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000776258140 1055080775 /nfs/dbraw/zinc/08/07/75/1055080775.db2.gz SODNFTBIUVGUDY-QGZVFWFLSA-N 0 3 339.479 4.338 20 10 EICDHN COc1ccc([C@@H](C)NCc2ccc3c(c2)CCCN3C)cc1F ZINC000126678390 1055110135 /nfs/dbraw/zinc/11/01/35/1055110135.db2.gz VOFKEVWAJMBQII-CQSZACIVSA-N 0 3 328.431 4.068 20 10 EICDHN C[C@@H](NCc1cccc(F)c1OC(F)(F)F)c1ccccc1O ZINC000877757712 1055113520 /nfs/dbraw/zinc/11/35/20/1055113520.db2.gz SCUDFNJHXCVTLT-SNVBAGLBSA-N 0 3 329.293 4.281 20 10 EICDHN C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)(F)F)c1ccccc1[O-] ZINC000877757712 1055113523 /nfs/dbraw/zinc/11/35/23/1055113523.db2.gz SCUDFNJHXCVTLT-SNVBAGLBSA-N 0 3 329.293 4.281 20 10 EICDHN C[C@@H](NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O ZINC000877756909 1055113760 /nfs/dbraw/zinc/11/37/60/1055113760.db2.gz CELGYGNTWGQOBC-SNVBAGLBSA-N 0 3 340.301 4.170 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(Cl)nc1C(F)(F)F)c1ccccc1[O-] ZINC000877756036 1055114624 /nfs/dbraw/zinc/11/46/24/1055114624.db2.gz ZTUGONPRENBRLT-SECBINFHSA-N 0 3 330.737 4.310 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccccc2O)c1[O-] ZINC000877756589 1055114788 /nfs/dbraw/zinc/11/47/88/1055114788.db2.gz VULNYWIJHPKRAF-LLVKDONJSA-N 0 3 336.229 4.020 20 10 EICDHN CCOc1cc(C[NH2+][C@H](C)c2ccccc2[O-])cc(Cl)c1OC ZINC000877756311 1055114872 /nfs/dbraw/zinc/11/48/72/1055114872.db2.gz GLELBHFNDUZGGF-GFCCVEGCSA-N 0 3 335.831 4.304 20 10 EICDHN COc1c(Br)cccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756037 1055115040 /nfs/dbraw/zinc/11/50/40/1055115040.db2.gz ZWBJWRVKFKCJEF-LLVKDONJSA-N 0 3 336.229 4.014 20 10 EICDHN CO[C@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])[C@@H](C)c2ccccc2)C1 ZINC000878326267 1055244653 /nfs/dbraw/zinc/24/46/53/1055244653.db2.gz QQIVTVOIZSJJMB-ABSDTBQOSA-N 0 3 325.452 4.380 20 10 EICDHN CO[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])[C@@H](C)c2ccccc2)C1 ZINC000878326267 1055244676 /nfs/dbraw/zinc/24/46/76/1055244676.db2.gz QQIVTVOIZSJJMB-ABSDTBQOSA-N 0 3 325.452 4.380 20 10 EICDHN COc1ccc(O)c([C@H](C)NC2(c3ccc(F)cc3F)CCC2)c1 ZINC000186361113 1055391638 /nfs/dbraw/zinc/39/16/38/1055391638.db2.gz RIJGFBZFZHXWAV-LBPRGKRZSA-N 0 3 333.378 4.409 20 10 EICDHN COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])OC(C)C ZINC000186376149 1055414435 /nfs/dbraw/zinc/41/44/35/1055414435.db2.gz UQNMJCARMVHTTR-YWZLYKJASA-N 0 3 329.440 4.218 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c2c1c(F)ccc2[O-] ZINC000765819719 1055637734 /nfs/dbraw/zinc/63/77/34/1055637734.db2.gz WNNGFLAMBKPJJP-PRIMNGNOSA-N 0 3 349.833 4.230 20 10 EICDHN Cc1ccccc1[C@@H]1CN(Cc2cc3c(cc2O)CCC3)[C@@H](C)CO1 ZINC000742167419 1058529114 /nfs/dbraw/zinc/52/91/14/1058529114.db2.gz FVSRFMNRVBUXCS-AOMKIAJQSA-N 0 3 337.463 4.151 20 10 EICDHN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742377701 1058602860 /nfs/dbraw/zinc/60/28/60/1058602860.db2.gz PWIUTBBHKZNLHX-OAHLLOKOSA-N 0 3 349.478 4.130 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000743869809 1059190804 /nfs/dbraw/zinc/19/08/04/1059190804.db2.gz AUBIASUQPSJPGK-QGZVFWFLSA-N 0 3 346.515 4.174 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000743869809 1059190845 /nfs/dbraw/zinc/19/08/45/1059190845.db2.gz AUBIASUQPSJPGK-QGZVFWFLSA-N 0 3 346.515 4.174 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccco1 ZINC000744398404 1059452129 /nfs/dbraw/zinc/45/21/29/1059452129.db2.gz QMZMNSBRRAKERY-UHFFFAOYSA-N 0 3 349.430 4.165 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccco1 ZINC000744398404 1059452183 /nfs/dbraw/zinc/45/21/83/1059452183.db2.gz QMZMNSBRRAKERY-UHFFFAOYSA-N 0 3 349.430 4.165 20 10 EICDHN COc1ccc(CNCc2ccc(Br)s2)cc1C ZINC000037985159 213183662 /nfs/dbraw/zinc/18/36/62/213183662.db2.gz KLABNFLIWZSJLI-UHFFFAOYSA-N 0 3 326.259 4.117 20 10 EICDHN CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490462 522756953 /nfs/dbraw/zinc/75/69/53/522756953.db2.gz OPWBUPHLMFLMAJ-XEZPLFJOSA-N 0 3 343.298 4.367 20 10 EICDHN CC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490462 522756963 /nfs/dbraw/zinc/75/69/63/522756963.db2.gz OPWBUPHLMFLMAJ-XEZPLFJOSA-N 0 3 343.298 4.367 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490462 522756972 /nfs/dbraw/zinc/75/69/72/522756972.db2.gz OPWBUPHLMFLMAJ-XEZPLFJOSA-N 0 3 343.298 4.367 20 10 EICDHN Cc1ccc2nc(CNCc3cc(-c4ccccc4)ccc3O)cn2c1 ZINC000729681202 1032138979 /nfs/dbraw/zinc/13/89/79/1032138979.db2.gz XEZMEYWOZISDLX-UHFFFAOYSA-N 0 3 343.430 4.305 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C)cc1[O-] ZINC000279921403 1032795902 /nfs/dbraw/zinc/79/59/02/1032795902.db2.gz AGCNYIAKIHPZPJ-AUUYWEPGSA-N 0 3 326.440 4.461 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C)cc1[O-] ZINC000279921411 1032798882 /nfs/dbraw/zinc/79/88/82/1032798882.db2.gz AGCNYIAKIHPZPJ-KUHUBIRLSA-N 0 3 326.440 4.461 20 10 EICDHN Cc1ccc([C@H](C)NCc2nc3cccc(Cl)c3n2C)c(O)c1 ZINC000274737764 1019092143 /nfs/dbraw/zinc/09/21/43/1019092143.db2.gz DRBKUODLOVLHIX-LBPRGKRZSA-N 0 3 329.831 4.092 20 10 EICDHN CCOCCOCc1cccc(C[NH2+][C@H](CC)c2ccccc2[O-])c1 ZINC000274870303 1019817080 /nfs/dbraw/zinc/81/70/80/1019817080.db2.gz FLFCOXDRXDMUQT-HXUWFJFHSA-N 0 3 343.467 4.186 20 10 EICDHN C[C@@H](c1ccc(Br)cc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC001140055992 1020419969 /nfs/dbraw/zinc/41/99/69/1020419969.db2.gz CVHYOFSTYSTZPE-NSHDSACASA-N 0 3 338.220 4.487 20 10 EICDHN C[C@@H](c1ccc(Br)cc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC001140055992 1020419987 /nfs/dbraw/zinc/41/99/87/1020419987.db2.gz CVHYOFSTYSTZPE-NSHDSACASA-N 0 3 338.220 4.487 20 10 EICDHN CC(C)CCOc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000725852581 1022122275 /nfs/dbraw/zinc/12/22/75/1022122275.db2.gz GKEZAMUHLRFDQR-UHFFFAOYSA-N 0 3 325.452 4.336 20 10 EICDHN Cc1ccc([C@@H](C)N[C@@H](c2cnn(C)c2)c2ccccc2)c(O)c1C ZINC000363855263 1022856732 /nfs/dbraw/zinc/85/67/32/1022856732.db2.gz NIAFUAAPEIKGLW-OXQOHEQNSA-N 0 3 335.451 4.183 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccccc3C)CC2)c([O-])c1 ZINC000185053287 1022999580 /nfs/dbraw/zinc/99/95/80/1022999580.db2.gz PKUMJECEPFLRQV-SFHVURJKSA-N 0 3 338.495 4.324 20 10 EICDHN Cc1ccc(-c2nc(CC[NH2+][C@@H](C)c3cc(F)ccc3[O-])co2)cc1 ZINC000185304456 1023028932 /nfs/dbraw/zinc/02/89/32/1023028932.db2.gz KHRTZTYNHBMKAY-AWEZNQCLSA-N 0 3 340.398 4.388 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)c([O-])c1 ZINC000185546816 1023051665 /nfs/dbraw/zinc/05/16/65/1023051665.db2.gz QSIUSVZQWFTOFS-YRNRMSPPSA-N 0 3 344.524 4.496 20 10 EICDHN Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185695590 1023064060 /nfs/dbraw/zinc/06/40/60/1023064060.db2.gz BMZMJCPWWJTGSP-NSHDSACASA-N 0 3 325.330 4.292 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccccc1-n1nc(C)cc1C)c1ccccc1[O-] ZINC000156360058 1023625291 /nfs/dbraw/zinc/62/52/91/1023625291.db2.gz LUNUJOXQSDPKRM-LJQANCHMSA-N 0 3 335.451 4.436 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(Br)cc1 ZINC000313263187 1024101065 /nfs/dbraw/zinc/10/10/65/1024101065.db2.gz ZDYNYFBAPAAKGS-XHDPSFHLSA-N 0 3 332.241 4.493 20 10 EICDHN O=c1oc2ccc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)cc2o1 ZINC000894016673 1033266133 /nfs/dbraw/zinc/26/61/33/1033266133.db2.gz HRVPPYJUGDZENG-UHFFFAOYSA-N 0 3 339.391 4.036 20 10 EICDHN O=c1oc2ccc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)cc2o1 ZINC000894016673 1033266145 /nfs/dbraw/zinc/26/61/45/1033266145.db2.gz HRVPPYJUGDZENG-UHFFFAOYSA-N 0 3 339.391 4.036 20 10 EICDHN CC[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccc(C)cc1[O-] ZINC000375648320 1025233890 /nfs/dbraw/zinc/23/38/90/1025233890.db2.gz JQCCYMCLKYNPIX-HXUWFJFHSA-N 0 3 335.451 4.342 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2ccccc2Br)c1 ZINC000048819625 1026644946 /nfs/dbraw/zinc/64/49/46/1026644946.db2.gz OHJBQVFCLKRFGS-NSHDSACASA-N 0 3 336.229 4.014 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000382461035 1027664748 /nfs/dbraw/zinc/66/47/48/1027664748.db2.gz WAWXMNRBQUQROZ-HRCADAONSA-N 0 3 348.487 4.045 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281373938 1028572221 /nfs/dbraw/zinc/57/22/21/1028572221.db2.gz WUYQNBDAJBMWOU-HXUWFJFHSA-N 0 3 327.447 4.308 20 10 EICDHN COCC[C@@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000840835834 1029529863 /nfs/dbraw/zinc/52/98/63/1029529863.db2.gz QZNZUACSDGZCBP-XLIONFOSSA-N 0 3 327.468 4.328 20 10 EICDHN COc1ccc(O)c([C@H](C)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000185152520 1030120742 /nfs/dbraw/zinc/12/07/42/1030120742.db2.gz LEBYOCSQHNDDOS-YCRPNKLZSA-N 0 3 334.419 4.236 20 10 EICDHN Cc1cccc(N2CCC([NH2+][C@H](C)c3cc(Cl)ccc3[O-])CC2)n1 ZINC000185477598 1030156662 /nfs/dbraw/zinc/15/66/62/1030156662.db2.gz ZJOMMGIMRLAAGV-CQSZACIVSA-N 0 3 345.874 4.069 20 10 EICDHN CC[C@@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1O ZINC000186626064 1030291277 /nfs/dbraw/zinc/29/12/77/1030291277.db2.gz CIXUNYUCYXSAQJ-UYAOXDASSA-N 0 3 339.414 4.095 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cccnc2C)c1[O-] ZINC000527989169 1031016608 /nfs/dbraw/zinc/01/66/08/1031016608.db2.gz XGBLMZLVKJYNFB-LBPRGKRZSA-N 0 3 335.245 4.017 20 10 EICDHN COc1ccccc1OCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725841425 1031329325 /nfs/dbraw/zinc/32/93/25/1031329325.db2.gz DALFBXIUSFONLC-UHFFFAOYSA-N 0 3 349.430 4.236 20 10 EICDHN C[C@@H]([NH2+]Cc1cnn(-c2cccc(Cl)c2)c1)c1ccccc1[O-] ZINC000359990982 1031905625 /nfs/dbraw/zinc/90/56/25/1031905625.db2.gz CWVCIAHFYCDGLY-CYBMUJFWSA-N 0 3 327.815 4.082 20 10 EICDHN CCS[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761199760 1036013296 /nfs/dbraw/zinc/01/32/96/1036013296.db2.gz RRFSOIZLWKEZEM-AWEZNQCLSA-N 0 3 329.893 4.162 20 10 EICDHN CCS[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761199760 1036013318 /nfs/dbraw/zinc/01/33/18/1036013318.db2.gz RRFSOIZLWKEZEM-AWEZNQCLSA-N 0 3 329.893 4.162 20 10 EICDHN COc1cc(Cl)cc(CN2CCS[C@H](c3ccccc3)C2)c1O ZINC000761203381 1036040071 /nfs/dbraw/zinc/04/00/71/1036040071.db2.gz QWGBWIOAEHMYHZ-KRWDZBQOSA-N 0 3 349.883 4.344 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1[O-] ZINC000761216388 1036159858 /nfs/dbraw/zinc/15/98/58/1036159858.db2.gz QEQOAVRHQMMEKH-CRTZDJKQSA-N 0 3 347.842 4.097 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000273468785 1037474291 /nfs/dbraw/zinc/47/42/91/1037474291.db2.gz ROQQTGKKWAJHNM-JNAXZKDPSA-N 0 3 329.415 4.411 20 10 EICDHN CCCOc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000151069188 1038635713 /nfs/dbraw/zinc/63/57/13/1038635713.db2.gz NDGRYCFKKKAUSY-MRXNPFEDSA-N 0 3 342.483 4.401 20 10 EICDHN COc1cc([C@H](C)NCc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000030632515 1039285916 /nfs/dbraw/zinc/28/59/16/1039285916.db2.gz MFAWCSHWMVGOJF-INIZCTEOSA-N 0 3 342.483 4.399 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1c[nH]nc1-c1cccnc1)C1CCCC1 ZINC000093319315 1039658922 /nfs/dbraw/zinc/65/89/22/1039658922.db2.gz ALMALTBNBHUMDX-UHFFFAOYSA-N 0 3 348.450 4.122 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C1CCCC1 ZINC000093319315 1039658935 /nfs/dbraw/zinc/65/89/35/1039658935.db2.gz ALMALTBNBHUMDX-UHFFFAOYSA-N 0 3 348.450 4.122 20 10 EICDHN COc1ncc([C@@H](C)NCc2c(C)c3ccccc3n2C)cc1Cl ZINC000551513548 1040364397 /nfs/dbraw/zinc/36/43/97/1040364397.db2.gz QSACQKBAKVXEMQ-CYBMUJFWSA-N 0 3 343.858 4.395 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(OC)c(OC)c1 ZINC000287610307 1041475914 /nfs/dbraw/zinc/47/59/14/1041475914.db2.gz SKZQNGVWCACDAG-BLLLJJGKSA-N 0 3 333.403 4.350 20 10 EICDHN COc1cc(O)c(CN[C@@H](C)c2ccc(F)cc2Cl)cc1OC ZINC000295940617 1042540200 /nfs/dbraw/zinc/54/02/00/1042540200.db2.gz GICRIEJZKPRZRC-JTQLQIEISA-N 0 3 339.794 4.053 20 10 EICDHN CCN(CC)c1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761522893 1042874671 /nfs/dbraw/zinc/87/46/71/1042874671.db2.gz MZGLWBJXLRFJAY-UHFFFAOYSA-N 0 3 347.846 4.384 20 10 EICDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cccc(F)c1 ZINC000163625448 1043251813 /nfs/dbraw/zinc/25/18/13/1043251813.db2.gz AHKPQVBKVZJXMD-OAHLLOKOSA-N 0 3 330.472 4.230 20 10 EICDHN C[C@@H](NC(C)(C)C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000733900980 1043856067 /nfs/dbraw/zinc/85/60/67/1043856067.db2.gz UTHUADFGXSTAIR-CQSZACIVSA-N 0 3 332.875 4.265 20 10 EICDHN C[C@@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccccc1 ZINC000734004118 1044454239 /nfs/dbraw/zinc/45/42/39/1044454239.db2.gz OSFKBAOPRVVJOS-JOCHJYFZSA-N 0 3 333.431 4.057 20 10 EICDHN CC[C@H](N[C@@H]1CCOc2cc(OC)ccc21)c1ccc(N(C)C)cc1 ZINC000766184933 1045259898 /nfs/dbraw/zinc/25/98/98/1045259898.db2.gz AGDFWKJABQBDGG-VQTJNVASSA-N 0 3 340.467 4.326 20 10 EICDHN CCN(CC)c1ccc(CN(C)Cc2ccc(O)c(OC)c2)cc1F ZINC000768240330 1045750847 /nfs/dbraw/zinc/75/08/47/1045750847.db2.gz TUTLFMQNOSAJHF-UHFFFAOYSA-N 0 3 346.446 4.018 20 10 EICDHN COc1ccc([C@H]2CCCN2Cc2ccc(N(C)C)cc2)cc1OC ZINC000768227782 1045757616 /nfs/dbraw/zinc/75/76/16/1045757616.db2.gz IUTLAQZATDQKPW-LJQANCHMSA-N 0 3 340.467 4.107 20 10 EICDHN COc1cccc([O-])c1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000768363658 1045799119 /nfs/dbraw/zinc/79/91/19/1045799119.db2.gz BDCBFRIGGDCIKN-UHFFFAOYSA-N 0 3 347.842 4.098 20 10 EICDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CCC1CCCCC1)[C@H](O)CO2 ZINC000768463724 1045810812 /nfs/dbraw/zinc/81/08/12/1045810812.db2.gz WAZMELVIQHVVOK-FXAWDEMLSA-N 0 3 345.483 4.143 20 10 EICDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CCC1CCCCC1)[C@H](O)CO2 ZINC000768463724 1045810814 /nfs/dbraw/zinc/81/08/14/1045810814.db2.gz WAZMELVIQHVVOK-FXAWDEMLSA-N 0 3 345.483 4.143 20 10 EICDHN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768939905 1045863258 /nfs/dbraw/zinc/86/32/58/1045863258.db2.gz FKVJYSXZTYSHBU-LJQANCHMSA-N 0 3 347.462 4.172 20 10 EICDHN Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768939905 1045863254 /nfs/dbraw/zinc/86/32/54/1045863254.db2.gz FKVJYSXZTYSHBU-LJQANCHMSA-N 0 3 347.462 4.172 20 10 EICDHN C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1ccccc1[O-] ZINC000248385395 1045868250 /nfs/dbraw/zinc/86/82/50/1045868250.db2.gz IGKXQFPAQINUBS-QMTMVMCOSA-N 0 3 330.497 4.187 20 10 EICDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([O-])c1 ZINC000792186649 1045876319 /nfs/dbraw/zinc/87/63/19/1045876319.db2.gz GGXYDLNUZQEBFS-HNNXBMFYSA-N 0 3 331.378 4.201 20 10 EICDHN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([O-])c1 ZINC000792186649 1045876328 /nfs/dbraw/zinc/87/63/28/1045876328.db2.gz GGXYDLNUZQEBFS-HNNXBMFYSA-N 0 3 331.378 4.201 20 10 EICDHN C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1n1ccnc1 ZINC000770323857 1046180164 /nfs/dbraw/zinc/18/01/64/1046180164.db2.gz KUKLHUKFOCRINL-LAUBAEHRSA-N 0 3 347.462 4.339 20 10 EICDHN C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1n1ccnc1 ZINC000770323857 1046180174 /nfs/dbraw/zinc/18/01/74/1046180174.db2.gz KUKLHUKFOCRINL-LAUBAEHRSA-N 0 3 347.462 4.339 20 10 EICDHN CCCCN(Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1O ZINC000793591144 1046301166 /nfs/dbraw/zinc/30/11/66/1046301166.db2.gz FVZYEDLCSUVMEA-UHFFFAOYSA-N 0 3 327.472 4.282 20 10 EICDHN CCCC[N@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1[O-] ZINC000793591144 1046301186 /nfs/dbraw/zinc/30/11/86/1046301186.db2.gz FVZYEDLCSUVMEA-UHFFFAOYSA-N 0 3 327.472 4.282 20 10 EICDHN CCCC[N@@H+](Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1[O-] ZINC000793591144 1046301202 /nfs/dbraw/zinc/30/12/02/1046301202.db2.gz FVZYEDLCSUVMEA-UHFFFAOYSA-N 0 3 327.472 4.282 20 10 EICDHN CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000771891180 1046521177 /nfs/dbraw/zinc/52/11/77/1046521177.db2.gz ZBTAXGPQAGWCBF-CTNGQTDRSA-N 0 3 325.452 4.352 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c([O-])c1 ZINC000771933511 1046525695 /nfs/dbraw/zinc/52/56/95/1046525695.db2.gz KRRONWHJHAUWKA-IBGZPJMESA-N 0 3 327.424 4.137 20 10 EICDHN CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c([O-])c1 ZINC000771933511 1046525713 /nfs/dbraw/zinc/52/57/13/1046525713.db2.gz KRRONWHJHAUWKA-IBGZPJMESA-N 0 3 327.424 4.137 20 10 EICDHN COc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1F ZINC000917074146 1046633897 /nfs/dbraw/zinc/63/38/97/1046633897.db2.gz QXLYFAXKOIADEN-UHFFFAOYSA-N 0 3 328.431 4.065 20 10 EICDHN CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1cc(C)ccc1OC ZINC000772444959 1046638535 /nfs/dbraw/zinc/63/85/35/1046638535.db2.gz FWPDIBJPEQAFCJ-SFHVURJKSA-N 0 3 330.447 4.450 20 10 EICDHN C[C@H](NCc1cnc(-c2ccco2)s1)c1ccc(N(C)C)cc1 ZINC000785510663 1046712299 /nfs/dbraw/zinc/71/22/99/1046712299.db2.gz ASLSDXQUYDSONI-ZDUSSCGKSA-N 0 3 327.453 4.320 20 10 EICDHN Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000786158492 1046813614 /nfs/dbraw/zinc/81/36/14/1046813614.db2.gz OELRRDOEXIMHKT-JOCHJYFZSA-N 0 3 347.458 4.061 20 10 EICDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1csc(Cl)c1 ZINC000786900896 1046878373 /nfs/dbraw/zinc/87/83/73/1046878373.db2.gz XJQDKRRTECDNQQ-CYBMUJFWSA-N 0 3 336.888 4.089 20 10 EICDHN CCOc1ccc(CN(C)[C@@H](COC)c2ccc(Cl)cc2)c(O)c1 ZINC000787331465 1046980147 /nfs/dbraw/zinc/98/01/47/1046980147.db2.gz JZBLVGKDILOWBC-SFHVURJKSA-N 0 3 349.858 4.264 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@@H](COC)c2ccc(Cl)cc2)c([O-])c1 ZINC000787331465 1046980102 /nfs/dbraw/zinc/98/01/02/1046980102.db2.gz JZBLVGKDILOWBC-SFHVURJKSA-N 0 3 349.858 4.264 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@@H](COC)c2ccc(Cl)cc2)c([O-])c1 ZINC000787331465 1046980133 /nfs/dbraw/zinc/98/01/33/1046980133.db2.gz JZBLVGKDILOWBC-SFHVURJKSA-N 0 3 349.858 4.264 20 10 EICDHN CCOc1ccc(O)c(CN(C)[C@@H](COC)c2ccc(Cl)cc2)c1 ZINC000787333635 1046981536 /nfs/dbraw/zinc/98/15/36/1046981536.db2.gz WYKCKRDJXYRNRS-SFHVURJKSA-N 0 3 349.858 4.264 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000806172210 1047160618 /nfs/dbraw/zinc/16/06/18/1047160618.db2.gz HYBBWNYSGQAUCV-DQYPLSBCSA-N 0 3 346.421 4.111 20 10 EICDHN C[C@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806175962 1047163906 /nfs/dbraw/zinc/16/39/06/1047163906.db2.gz GPUMFPSTDAMNBP-IFXJQAMLSA-N 0 3 332.875 4.180 20 10 EICDHN CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593641 1047240765 /nfs/dbraw/zinc/24/07/65/1047240765.db2.gz HEVWHMDXGMMTQI-ZIAGYGMSSA-N 0 3 344.421 4.182 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)c1[O-] ZINC000789778125 1047473721 /nfs/dbraw/zinc/47/37/21/1047473721.db2.gz DMTJAAASSXFXPM-IEBWSBKVSA-N 0 3 333.859 4.202 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178476 1047868700 /nfs/dbraw/zinc/86/87/00/1047868700.db2.gz QWYQHKIONYIQSD-OAQYLSRUSA-N 0 3 337.463 4.308 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178476 1047868701 /nfs/dbraw/zinc/86/87/01/1047868701.db2.gz QWYQHKIONYIQSD-OAQYLSRUSA-N 0 3 337.463 4.308 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c(F)cccc32)c1[O-] ZINC000824468906 1047877378 /nfs/dbraw/zinc/87/73/78/1047877378.db2.gz RTNMDGNUGIEFBE-MRXNPFEDSA-N 0 3 335.806 4.361 20 10 EICDHN COCC[C@@H]([NH2+]Cc1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000824959185 1048004708 /nfs/dbraw/zinc/00/47/08/1048004708.db2.gz BYLHGSOGKCYCCV-MRXNPFEDSA-N 0 3 339.357 4.278 20 10 EICDHN COc1ccc(N2CCN(Cc3c[nH]c4cc(C)ccc34)CC2)c(C)c1 ZINC001136975710 1048009262 /nfs/dbraw/zinc/00/92/62/1048009262.db2.gz OUAUZTKOSIRLHE-UHFFFAOYSA-N 0 3 349.478 4.116 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1[O-] ZINC000825084666 1048034194 /nfs/dbraw/zinc/03/41/94/1048034194.db2.gz GWQKIEHJILKRIZ-HUUCEWRRSA-N 0 3 337.872 4.425 20 10 EICDHN CCCOc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808693586 1048038354 /nfs/dbraw/zinc/03/83/54/1048038354.db2.gz IWOLLVPUYANMPQ-CYBMUJFWSA-N 0 3 334.847 4.389 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1[O-] ZINC000808674522 1048046801 /nfs/dbraw/zinc/04/68/01/1048046801.db2.gz UMNRLRXQUPHBQC-LRDDRELGSA-N 0 3 338.904 4.369 20 10 EICDHN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c(OC)c1 ZINC000808678757 1048050357 /nfs/dbraw/zinc/05/03/57/1048050357.db2.gz XFAOGIFZHKAXDW-LBPRGKRZSA-N 0 3 335.831 4.222 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1[O-] ZINC000808715512 1048062347 /nfs/dbraw/zinc/06/23/47/1048062347.db2.gz VBOZYUWSQVTJHW-CYBMUJFWSA-N 0 3 333.859 4.432 20 10 EICDHN Cc1cccn2cc(CC[NH2+][C@H](C)c3cc(Cl)cc(C)c3[O-])nc12 ZINC000808699943 1048080658 /nfs/dbraw/zinc/08/06/58/1048080658.db2.gz FMCUHVRNYDVTFC-CQSZACIVSA-N 0 3 343.858 4.203 20 10 EICDHN COc1cc(CN(C)[C@H](C)c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825501932 1048103967 /nfs/dbraw/zinc/10/39/67/1048103967.db2.gz SPXWLPFYOHWVHR-CQSZACIVSA-N 0 3 328.456 4.286 20 10 EICDHN CCN(C)c1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000815114880 1048330996 /nfs/dbraw/zinc/33/09/96/1048330996.db2.gz VKIRCAIZVRZNGK-CVEARBPZSA-N 0 3 327.299 4.158 20 10 EICDHN CCN(C)c1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000815124336 1048339929 /nfs/dbraw/zinc/33/99/29/1048339929.db2.gz TVGICICTPMTKFM-OAQYLSRUSA-N 0 3 338.495 4.136 20 10 EICDHN COCc1ccc([C@@H]2CCCN2Cc2ccc(N(C)C)c(C)c2)o1 ZINC000815094394 1048342670 /nfs/dbraw/zinc/34/26/70/1048342670.db2.gz KQUGVWLILWYUOU-IBGZPJMESA-N 0 3 328.456 4.138 20 10 EICDHN COc1cc(C[N@H+](C)Cc2c([O-])ccc3ccccc32)cc(OC)c1 ZINC000919957508 1048342770 /nfs/dbraw/zinc/34/27/70/1048342770.db2.gz RTLNCIYAYPYVSP-UHFFFAOYSA-N 0 3 337.419 4.195 20 10 EICDHN COc1cc(C[N@@H+](C)Cc2c([O-])ccc3ccccc32)cc(OC)c1 ZINC000919957508 1048342784 /nfs/dbraw/zinc/34/27/84/1048342784.db2.gz RTLNCIYAYPYVSP-UHFFFAOYSA-N 0 3 337.419 4.195 20 10 EICDHN COCC1=CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809642197 1048451195 /nfs/dbraw/zinc/45/11/95/1048451195.db2.gz DLWPTVZSBQDPIA-UHFFFAOYSA-N 0 3 348.490 4.028 20 10 EICDHN COCC(C)(C)CCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000809769211 1048502929 /nfs/dbraw/zinc/50/29/29/1048502929.db2.gz CHGXHXNQECMZKN-UHFFFAOYSA-N 0 3 344.293 4.006 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1CO ZINC000815564228 1048509816 /nfs/dbraw/zinc/50/98/16/1048509816.db2.gz BXEILRIUQZJUQI-QFIPXVFZSA-N 0 3 347.458 4.348 20 10 EICDHN COc1cccc(CNCc2ccc(-c3cccc(F)c3C)o2)c1O ZINC000809740203 1048511764 /nfs/dbraw/zinc/51/17/64/1048511764.db2.gz OXIFDZLZZRJJMD-UHFFFAOYSA-N 0 3 341.382 4.398 20 10 EICDHN CC[N@H+](Cc1cccc(-c2ccncc2)c1)Cc1c([O-])cccc1OC ZINC000809747445 1048515918 /nfs/dbraw/zinc/51/59/18/1048515918.db2.gz AUDKABDYAPJHFP-UHFFFAOYSA-N 0 3 348.446 4.485 20 10 EICDHN CC[N@@H+](Cc1cccc(-c2ccncc2)c1)Cc1c([O-])cccc1OC ZINC000809747445 1048515933 /nfs/dbraw/zinc/51/59/33/1048515933.db2.gz AUDKABDYAPJHFP-UHFFFAOYSA-N 0 3 348.446 4.485 20 10 EICDHN CCc1nc2ccccc2n1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000809753026 1048516454 /nfs/dbraw/zinc/51/64/54/1048516454.db2.gz LXQMXGDYPNKGCX-UHFFFAOYSA-N 0 3 335.451 4.141 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809754666 1048516601 /nfs/dbraw/zinc/51/66/01/1048516601.db2.gz LZFPVRPAEGXTEC-MRXNPFEDSA-N 0 3 344.213 4.051 20 10 EICDHN CC[C@H](CCO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815587793 1048525485 /nfs/dbraw/zinc/52/54/85/1048525485.db2.gz TXRKWCSKPPDCHK-YLJYHZDGSA-N 0 3 327.468 4.064 20 10 EICDHN C[C@@H](O)CC(C)(C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595067 1048528998 /nfs/dbraw/zinc/52/89/98/1048528998.db2.gz GUTKWTAYITWJIS-YLJYHZDGSA-N 0 3 341.495 4.453 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c([O-])c1 ZINC000815598664 1048532129 /nfs/dbraw/zinc/53/21/29/1048532129.db2.gz ZTMWVFLZCRLCRL-MJGOQNOKSA-N 0 3 341.495 4.462 20 10 EICDHN CO[C@@H]1CCC[C@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815601017 1048532858 /nfs/dbraw/zinc/53/28/58/1048532858.db2.gz LMNNAPRCWZHPFD-CZTZKLFOSA-N 0 3 339.479 4.471 20 10 EICDHN CC(C)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815572237 1048535348 /nfs/dbraw/zinc/53/53/48/1048535348.db2.gz XVVJVFJRVUGURV-UYAOXDASSA-N 0 3 327.468 4.063 20 10 EICDHN COc1ccccc1C1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815572929 1048537093 /nfs/dbraw/zinc/53/70/93/1048537093.db2.gz SGGYFDKSLWKSBP-INIZCTEOSA-N 0 3 325.452 4.400 20 10 EICDHN CSc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])N(C)C)cc1 ZINC000815660185 1048560667 /nfs/dbraw/zinc/56/06/67/1048560667.db2.gz UBDWRWWSTMKXOJ-DNVCBOLYSA-N 0 3 344.524 4.376 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1ccc(SC)cc1)N(C)C)c1ccccc1[O-] ZINC000815660428 1048561240 /nfs/dbraw/zinc/56/12/40/1048561240.db2.gz ZARBVQJKIMXGNP-RTBURBONSA-N 0 3 344.524 4.458 20 10 EICDHN COC1(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CCC1 ZINC000815642198 1048566874 /nfs/dbraw/zinc/56/68/74/1048566874.db2.gz VHFRGEUOTLFBEN-GFCCVEGCSA-N 0 3 342.277 4.073 20 10 EICDHN COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2ccccc2[O-])cc1 ZINC000810171744 1048653953 /nfs/dbraw/zinc/65/39/53/1048653953.db2.gz SBBUOYIEVKKNSR-OAQYLSRUSA-N 0 3 333.431 4.474 20 10 EICDHN C[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000810153144 1048660170 /nfs/dbraw/zinc/66/01/70/1048660170.db2.gz PCSVNIAZCDUDAI-GFCCVEGCSA-N 0 3 338.373 4.328 20 10 EICDHN Cc1cc(C(C)(C)[NH2+]Cc2ccccc2[O-])ccc1Br ZINC000810181934 1048672649 /nfs/dbraw/zinc/67/26/49/1048672649.db2.gz XIBQHJNPUHBATL-UHFFFAOYSA-N 0 3 334.257 4.488 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227772 1048695862 /nfs/dbraw/zinc/69/58/62/1048695862.db2.gz JBFVQMRVQIDGMG-BONVTDFDSA-N 0 3 341.377 4.114 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227774 1048696434 /nfs/dbraw/zinc/69/64/34/1048696434.db2.gz JBFVQMRVQIDGMG-ZUZCIYMTSA-N 0 3 341.377 4.114 20 10 EICDHN FC(F)(F)c1ccc(C2(NCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000846108123 1048814288 /nfs/dbraw/zinc/81/42/88/1048814288.db2.gz VNOCMAWKNGHHAA-UHFFFAOYSA-N 0 3 333.353 4.419 20 10 EICDHN Cc1ccc(O)c([C@H](C)N[C@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846207924 1048833100 /nfs/dbraw/zinc/83/31/00/1048833100.db2.gz VGLMVADQEVWSOR-QFBILLFUSA-N 0 3 335.451 4.069 20 10 EICDHN COc1cccc([C@@H](C)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000846145839 1048833207 /nfs/dbraw/zinc/83/32/07/1048833207.db2.gz QPFUJRAWQQNJMZ-ACJLOTCBSA-N 0 3 339.439 4.325 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c1[O-] ZINC000816627375 1048838948 /nfs/dbraw/zinc/83/89/48/1048838948.db2.gz MGKBXMFUDBCUGH-UHFFFAOYSA-N 0 3 344.764 4.100 20 10 EICDHN COc1cc(Cl)cc(CN2CCC[C@@H](CC(F)(F)F)C2)c1O ZINC000817412132 1048962608 /nfs/dbraw/zinc/96/26/08/1048962608.db2.gz DKJYTATVBKJWLX-JTQLQIEISA-N 0 3 337.769 4.219 20 10 EICDHN Clc1nccc(CNCCCSc2nccs2)c1Cl ZINC000811482458 1049076229 /nfs/dbraw/zinc/07/62/29/1049076229.db2.gz XPYWCYBYTRHHAU-UHFFFAOYSA-N 0 3 334.297 4.117 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984803 1049078764 /nfs/dbraw/zinc/07/87/64/1049078764.db2.gz AFZXUDOJUNIDAW-SMDDNHRTSA-N 0 3 343.298 4.414 20 10 EICDHN COc1cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781162 1049263341 /nfs/dbraw/zinc/26/33/41/1049263341.db2.gz ZFQIASWOEGPDNC-HKUYNNGSSA-N 0 3 347.499 4.088 20 10 EICDHN COc1cc(CN2CCC(F)(F)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000811781238 1049263899 /nfs/dbraw/zinc/26/38/99/1049263899.db2.gz WHNICVSTESEVCF-LBPRGKRZSA-N 0 3 327.415 4.175 20 10 EICDHN CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000812735719 1049555149 /nfs/dbraw/zinc/55/51/49/1049555149.db2.gz FQZBKFNZVDFRMB-APWZRJJASA-N 0 3 342.458 4.407 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544671 1049737649 /nfs/dbraw/zinc/73/76/49/1049737649.db2.gz XTTAYSVLBHUYFD-AWEZNQCLSA-N 0 3 335.369 4.189 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544671 1049737661 /nfs/dbraw/zinc/73/76/61/1049737661.db2.gz XTTAYSVLBHUYFD-AWEZNQCLSA-N 0 3 335.369 4.189 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2cccc(OC)c2OC(C)C)c1 ZINC000813330665 1049753249 /nfs/dbraw/zinc/75/32/49/1049753249.db2.gz CFJJHLCHGXIMFV-CQSZACIVSA-N 0 3 345.439 4.047 20 10 EICDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC000179902020 1049787092 /nfs/dbraw/zinc/78/70/92/1049787092.db2.gz ZTAFPDQQAJRLFR-MGPLVRAMSA-N 0 3 326.223 4.083 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])CN1Cc1ccccc1 ZINC001171735487 1049800022 /nfs/dbraw/zinc/80/00/22/1049800022.db2.gz WZCJQECQFZMISA-VGSWGCGISA-N 0 3 346.474 4.298 20 10 EICDHN C[C@H](N[C@H]1CCCOc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000179963664 1049815353 /nfs/dbraw/zinc/81/53/53/1049815353.db2.gz VHXXNSMFWWZJSV-LIRRHRJNSA-N 0 3 328.431 4.456 20 10 EICDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001171966098 1049826810 /nfs/dbraw/zinc/82/68/10/1049826810.db2.gz NVMUZMRHGLAFDV-ZDUSSCGKSA-N 0 3 335.369 4.400 20 10 EICDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001171966098 1049826812 /nfs/dbraw/zinc/82/68/12/1049826812.db2.gz NVMUZMRHGLAFDV-ZDUSSCGKSA-N 0 3 335.369 4.400 20 10 EICDHN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cs1 ZINC000823671254 1049868197 /nfs/dbraw/zinc/86/81/97/1049868197.db2.gz KQOSDOXQAVIKCY-ZIAGYGMSSA-N 0 3 348.487 4.099 20 10 EICDHN CN(Cc1cccs1)c1ccc(CNCc2cccc(O)c2)cc1 ZINC001177650291 1050277670 /nfs/dbraw/zinc/27/76/70/1050277670.db2.gz DTKFYBQKXJYOKH-UHFFFAOYSA-N 0 3 338.476 4.380 20 10 EICDHN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC001173084449 1050296934 /nfs/dbraw/zinc/29/69/34/1050296934.db2.gz BPXZQPBCJNWUIJ-ZDUSSCGKSA-N 0 3 339.357 4.354 20 10 EICDHN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC001173084449 1050296943 /nfs/dbraw/zinc/29/69/43/1050296943.db2.gz BPXZQPBCJNWUIJ-ZDUSSCGKSA-N 0 3 339.357 4.354 20 10 EICDHN CCN(C)c1ccc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000773756266 1050504849 /nfs/dbraw/zinc/50/48/49/1050504849.db2.gz VFEYFBXBPMHGHT-VOIUYBSRSA-N 0 3 344.524 4.073 20 10 EICDHN C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1[O-] ZINC000775129448 1050573426 /nfs/dbraw/zinc/57/34/26/1050573426.db2.gz FXSVOSWFQJGIBZ-LBPRGKRZSA-N 0 3 333.815 4.058 20 10 EICDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c([O-])c1 ZINC001179874466 1050812973 /nfs/dbraw/zinc/81/29/73/1050812973.db2.gz ZVPIADRJLUFQNY-QFBILLFUSA-N 0 3 325.452 4.335 20 10 EICDHN COc1cc(C)c(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c([O-])c1 ZINC001179874466 1050812976 /nfs/dbraw/zinc/81/29/76/1050812976.db2.gz ZVPIADRJLUFQNY-QFBILLFUSA-N 0 3 325.452 4.335 20 10 EICDHN CCCN(Cc1ccnn1CCc1ccccc1)Cc1ccccc1O ZINC001180188844 1050897313 /nfs/dbraw/zinc/89/73/13/1050897313.db2.gz JMKIAJRUONWUTC-UHFFFAOYSA-N 0 3 349.478 4.244 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]C2(Cc3ccccc3)CC2)c1[O-] ZINC001180970160 1051124517 /nfs/dbraw/zinc/12/45/17/1051124517.db2.gz OXYMSURIRKKBQF-UHFFFAOYSA-N 0 3 346.268 4.328 20 10 EICDHN C[C@@H](NCc1cnc(-c2ccncc2)s1)c1ccc(N(C)C)cc1 ZINC000775361715 1051128652 /nfs/dbraw/zinc/12/86/52/1051128652.db2.gz FHVWYMUVEZADRU-CQSZACIVSA-N 0 3 338.480 4.122 20 10 EICDHN CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccn1 ZINC000183506493 1051137106 /nfs/dbraw/zinc/13/71/06/1051137106.db2.gz NFTOFERPBOKGCB-HZPDHXFCSA-N 0 3 328.456 4.451 20 10 EICDHN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])n(-c2ccccc2)n1 ZINC000183624332 1051183745 /nfs/dbraw/zinc/18/37/45/1051183745.db2.gz XCAPKCWZEDXPKY-DOTOQJQBSA-N 0 3 335.451 4.168 20 10 EICDHN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])n(-c2ccccc2)n1 ZINC000183623823 1051184915 /nfs/dbraw/zinc/18/49/15/1051184915.db2.gz XCAPKCWZEDXPKY-RDJZCZTQSA-N 0 3 335.451 4.168 20 10 EICDHN Cc1ccc([C@H]2CSCCN2Cc2ccc(N(C)C)cc2)cc1 ZINC001190954629 1051321266 /nfs/dbraw/zinc/32/12/66/1051321266.db2.gz KIUQQQSIIFGNMS-HXUWFJFHSA-N 0 3 326.509 4.351 20 10 EICDHN CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001182261433 1051457000 /nfs/dbraw/zinc/45/70/00/1051457000.db2.gz JWYCJKMJHQWDDB-UYAOXDASSA-N 0 3 325.452 4.495 20 10 EICDHN C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774213507 1051496911 /nfs/dbraw/zinc/49/69/11/1051496911.db2.gz OAKARJXDXSKEBH-SRVKXCTJSA-N 0 3 331.287 4.222 20 10 EICDHN C[C@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2c1c(F)ccc2[O-] ZINC000774430542 1051590763 /nfs/dbraw/zinc/59/07/63/1051590763.db2.gz CKNCRDLMSCYHTG-SJCJKPOMSA-N 0 3 326.415 4.143 20 10 EICDHN Cc1cc(C)cc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774478213 1051606274 /nfs/dbraw/zinc/60/62/74/1051606274.db2.gz BQSPUAWRFZRWIU-IAGOWNOFSA-N 0 3 339.483 4.047 20 10 EICDHN CCO[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000774499654 1051616253 /nfs/dbraw/zinc/61/62/53/1051616253.db2.gz XRGWMNJBGWUUNA-QANKJYHBSA-N 0 3 329.415 4.447 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1[O-] ZINC000775507044 1051646516 /nfs/dbraw/zinc/64/65/16/1051646516.db2.gz GOMCJRQJNLFHGC-NVXWUHKLSA-N 0 3 340.250 4.473 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1[O-] ZINC000775507946 1051648802 /nfs/dbraw/zinc/64/88/02/1051648802.db2.gz PTIOUWBTUBZLDK-QFBILLFUSA-N 0 3 328.431 4.241 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccccc1[O-] ZINC000775509131 1051649164 /nfs/dbraw/zinc/64/91/64/1051649164.db2.gz ZSXGZZJKYBTIDY-AZUAARDMSA-N 0 3 327.468 4.464 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000775526344 1051719330 /nfs/dbraw/zinc/71/93/30/1051719330.db2.gz QWOBOUXHOMPXAK-MAUKXSAKSA-N 0 3 343.467 4.329 20 10 EICDHN COC(=O)c1cccc(CNCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001183280088 1051812288 /nfs/dbraw/zinc/81/22/88/1051812288.db2.gz FZIFMXCVTSGTCN-UHFFFAOYSA-N 0 3 348.446 4.171 20 10 EICDHN CCCCOc1ccc(CNCc2ccc3c(c2)CCO3)cc1OC ZINC000078822249 1051873967 /nfs/dbraw/zinc/87/39/67/1051873967.db2.gz VAFZCEOCZWHCML-UHFFFAOYSA-N 0 3 341.451 4.099 20 10 EICDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1[O-] ZINC000184581087 1052086019 /nfs/dbraw/zinc/08/60/19/1052086019.db2.gz ADVMPOHVCGHZMC-KSFYIVLOSA-N 0 3 333.431 4.443 20 10 EICDHN C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000185093592 1052407865 /nfs/dbraw/zinc/40/78/65/1052407865.db2.gz MXCGSTUNWRPGKU-NSHDSACASA-N 0 3 343.320 4.323 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1cc(F)ccc1[O-] ZINC000185592878 1052651056 /nfs/dbraw/zinc/65/10/56/1052651056.db2.gz HKTIJCOSAMLKSR-CYBMUJFWSA-N 0 3 345.414 4.337 20 10 EICDHN C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185597464 1052654749 /nfs/dbraw/zinc/65/47/49/1052654749.db2.gz COZDJNRGNFLNIG-ZDUSSCGKSA-N 0 3 325.424 4.084 20 10 EICDHN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654923 1053251102 /nfs/dbraw/zinc/25/11/02/1053251102.db2.gz DQRMHMNMLDDWQR-GWCFXTLKSA-N 0 3 331.378 4.168 20 10 EICDHN Cn1cc(C[N@H+](C)Cc2ccccc2[O-])c(-c2cc3ccccc3o2)n1 ZINC000120059140 1053274334 /nfs/dbraw/zinc/27/43/34/1053274334.db2.gz CLYGBQMPAXMQNN-UHFFFAOYSA-N 0 3 347.418 4.171 20 10 EICDHN Cn1cc(C[N@@H+](C)Cc2ccccc2[O-])c(-c2cc3ccccc3o2)n1 ZINC000120059140 1053274358 /nfs/dbraw/zinc/27/43/58/1053274358.db2.gz CLYGBQMPAXMQNN-UHFFFAOYSA-N 0 3 347.418 4.171 20 10 EICDHN CC[C@@H](NCc1cc(OC)ccc1OC)c1ccc(N(C)C)cc1 ZINC000764749028 1053288265 /nfs/dbraw/zinc/28/82/65/1053288265.db2.gz OXBVVMAGIVIBRJ-LJQANCHMSA-N 0 3 328.456 4.011 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1CCC(O)CC1 ZINC000850553817 1053310574 /nfs/dbraw/zinc/31/05/74/1053310574.db2.gz DCGYVSNDWGHJCL-GZNCHQMQSA-N 0 3 339.479 4.207 20 10 EICDHN Cc1cccc(CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1O ZINC000775643519 1053312127 /nfs/dbraw/zinc/31/21/27/1053312127.db2.gz QCGOVPXOPFUZDD-UHFFFAOYSA-N 0 3 344.430 4.079 20 10 EICDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1[O-] ZINC000850558583 1053314897 /nfs/dbraw/zinc/31/48/97/1053314897.db2.gz UDNGEKFLZOCXKA-HWPZZCPQSA-N 0 3 326.223 4.083 20 10 EICDHN C[C@@H](N[C@@H](CCc1ccccc1)c1ccccc1O)c1nccn1C ZINC000850572468 1053326322 /nfs/dbraw/zinc/32/63/22/1053326322.db2.gz KMGJAIUGGPGUKB-APWZRJJASA-N 0 3 335.451 4.150 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccc(C)cc1[O-] ZINC000794795017 1053379709 /nfs/dbraw/zinc/37/97/09/1053379709.db2.gz OAWGBVCHZKOGAS-OALUTQOASA-N 0 3 330.447 4.183 20 10 EICDHN CC[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794801065 1053384212 /nfs/dbraw/zinc/38/42/12/1053384212.db2.gz IAJJUIZXQDVTAM-PMACEKPBSA-N 0 3 335.451 4.379 20 10 EICDHN CC[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(C)cc1[O-] ZINC000794802378 1053384287 /nfs/dbraw/zinc/38/42/87/1053384287.db2.gz NMONPMVQWFBBLM-LBPRGKRZSA-N 0 3 344.402 4.459 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccc(C)cc1[O-] ZINC000794791880 1053387982 /nfs/dbraw/zinc/38/79/82/1053387982.db2.gz JVTIWUMJRJGCRQ-HXUWFJFHSA-N 0 3 335.451 4.186 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC)c2)C1)c1ccc(C)cc1[O-] ZINC000794807026 1053401746 /nfs/dbraw/zinc/40/17/46/1053401746.db2.gz JFEVQCHOQPFVJY-OXQOHEQNSA-N 0 3 340.467 4.029 20 10 EICDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1[O-] ZINC000775662133 1053429794 /nfs/dbraw/zinc/42/97/94/1053429794.db2.gz UUCPUUVMUMLRQG-SFHVURJKSA-N 0 3 331.843 4.100 20 10 EICDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1[O-] ZINC000775662133 1053429799 /nfs/dbraw/zinc/42/97/99/1053429799.db2.gz UUCPUUVMUMLRQG-SFHVURJKSA-N 0 3 331.843 4.100 20 10 EICDHN CC[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(C)cc1[O-] ZINC000794817712 1053431962 /nfs/dbraw/zinc/43/19/62/1053431962.db2.gz VDCSQXMZDVIFKD-PKOBYXMFSA-N 0 3 333.859 4.302 20 10 EICDHN CC[C@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)c1ccc(C)cc1[O-] ZINC000794819749 1053435564 /nfs/dbraw/zinc/43/55/64/1053435564.db2.gz XLGSLPOAXFJNIG-IBGZPJMESA-N 0 3 335.451 4.436 20 10 EICDHN CC[C@H]([NH2+]C[C@@](C)(Cc1ccccc1)[C@@H](C)O)c1ccc(C)cc1[O-] ZINC000794818678 1053435800 /nfs/dbraw/zinc/43/58/00/1053435800.db2.gz XYENWXGSYNFEAG-PIPMEXSNSA-N 0 3 341.495 4.371 20 10 EICDHN CC[C@H]([NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794829736 1053441655 /nfs/dbraw/zinc/44/16/55/1053441655.db2.gz WOLPSNATBWOYTN-SESVDKBCSA-N 0 3 327.468 4.500 20 10 EICDHN CCN(C)c1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000765385669 1053532088 /nfs/dbraw/zinc/53/20/88/1053532088.db2.gz MYPGGJXGKONTHB-CQSZACIVSA-N 0 3 345.874 4.085 20 10 EICDHN CC(C)c1ccc2c(c1)CCCN2C(=O)c1cccc2c1CCNC2 ZINC000852810463 1053615632 /nfs/dbraw/zinc/61/56/32/1053615632.db2.gz GYYFCSZFATVVKI-UHFFFAOYSA-N 0 3 334.463 4.049 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485078 1053750457 /nfs/dbraw/zinc/75/04/57/1053750457.db2.gz LIMAOUDZMAHATL-UONOGXRCSA-N 0 3 339.439 4.401 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1[O-] ZINC000765674511 1053837470 /nfs/dbraw/zinc/83/74/70/1053837470.db2.gz DJDNDBWHNLIMHX-QGZVFWFLSA-N 0 3 340.250 4.005 20 10 EICDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2ncsc2c1 ZINC000776806787 1053907565 /nfs/dbraw/zinc/90/75/65/1053907565.db2.gz BZWRVTMEAWERNB-GFCCVEGCSA-N 0 3 329.444 4.352 20 10 EICDHN CC(C)c1cccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833156 1054107485 /nfs/dbraw/zinc/10/74/85/1054107485.db2.gz GSSDUQNVJNDFEZ-MRXNPFEDSA-N 0 3 339.483 4.165 20 10 EICDHN Cc1sc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c(C)c1C ZINC000775833838 1054112033 /nfs/dbraw/zinc/11/20/33/1054112033.db2.gz MYJSQMSUFHSZKX-CQSZACIVSA-N 0 3 345.512 4.029 20 10 EICDHN C[C@H](N[C@@H](CO)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000123609922 1054211221 /nfs/dbraw/zinc/21/12/21/1054211221.db2.gz UIDUFMLIPZTGQT-AVRDEDQJSA-N 0 3 338.495 4.451 20 10 EICDHN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(N(C)C)cc1C ZINC000115629099 1054366854 /nfs/dbraw/zinc/36/68/54/1054366854.db2.gz GVZRJUOFOBTEKU-UHFFFAOYSA-N 0 3 348.494 4.153 20 10 EICDHN COc1ccc(C(C)(C)NCc2ccc(N(C)C)c(F)c2)cc1F ZINC000858257479 1054449920 /nfs/dbraw/zinc/44/99/20/1054449920.db2.gz KNDFFGAGRBLNGE-UHFFFAOYSA-N 0 3 334.410 4.064 20 10 EICDHN CCCOc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1C ZINC000873050425 1054482280 /nfs/dbraw/zinc/48/22/80/1054482280.db2.gz WCPSFWYNJYGTEW-AWEZNQCLSA-N 0 3 339.439 4.217 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]CCc2ccc3ccccc3n2)c1[O-] ZINC000776151882 1054738575 /nfs/dbraw/zinc/73/85/75/1054738575.db2.gz XIIHXQKMIKUXSP-UHFFFAOYSA-N 0 3 326.827 4.235 20 10 EICDHN CCCCN(Cc1c(C2CCC2)cnn1C)Cc1ccccc1O ZINC000825788135 1054788303 /nfs/dbraw/zinc/78/83/03/1054788303.db2.gz BXMVTZKRJHIASU-UHFFFAOYSA-N 0 3 327.472 4.196 20 10 EICDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)cn1 ZINC000126446104 1055040305 /nfs/dbraw/zinc/04/03/05/1055040305.db2.gz TXYGWOHKRWHOPQ-KRWDZBQOSA-N 0 3 339.483 4.321 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]C2CCC(F)(F)CC2)c1[O-] ZINC000776253670 1055058914 /nfs/dbraw/zinc/05/89/14/1055058914.db2.gz NOYAFELOBCJUJP-UHFFFAOYSA-N 0 3 334.204 4.131 20 10 EICDHN CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776257577 1055078453 /nfs/dbraw/zinc/07/84/53/1055078453.db2.gz YMTKWYLFGCQSJN-GFCCVEGCSA-N 0 3 349.272 4.271 20 10 EICDHN COC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001202193955 1055080490 /nfs/dbraw/zinc/08/04/90/1055080490.db2.gz LHZCYWSLPDHFIJ-BBIZLLLXSA-N 0 3 344.886 4.397 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000862536074 1055081069 /nfs/dbraw/zinc/08/10/69/1055081069.db2.gz CUAVIPNCVIRDDT-OAHLLOKOSA-N 0 3 344.213 4.051 20 10 EICDHN Cc1cc(Br)c(CNCc2ccc(C)cc2O)s1 ZINC000877629735 1055095295 /nfs/dbraw/zinc/09/52/95/1055095295.db2.gz AHTSKLLCWHTXAR-UHFFFAOYSA-N 0 3 326.259 4.123 20 10 EICDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1OCC(C)C ZINC000877756530 1055114036 /nfs/dbraw/zinc/11/40/36/1055114036.db2.gz PNVWBYWUBPVWLS-OAHLLOKOSA-N 0 3 329.440 4.286 20 10 EICDHN CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757079 1055114372 /nfs/dbraw/zinc/11/43/72/1055114372.db2.gz FKLMHGCDHVXTQY-CABCVRRESA-N 0 3 326.440 4.023 20 10 EICDHN Cc1sc(C[NH2+][C@H](C)c2ccccc2[O-])cc1Br ZINC000877756926 1055114600 /nfs/dbraw/zinc/11/46/00/1055114600.db2.gz CSLRNXJCKHOFAQ-SECBINFHSA-N 0 3 326.259 4.375 20 10 EICDHN C[C@H](NCc1cccc(F)c1OC(F)(F)F)c1ccccc1O ZINC000877758302 1055117959 /nfs/dbraw/zinc/11/79/59/1055117959.db2.gz SCUDFNJHXCVTLT-JTQLQIEISA-N 0 3 329.293 4.281 20 10 EICDHN C[C@H]([NH2+]Cc1cccc(F)c1OC(F)(F)F)c1ccccc1[O-] ZINC000877758302 1055117972 /nfs/dbraw/zinc/11/79/72/1055117972.db2.gz SCUDFNJHXCVTLT-JTQLQIEISA-N 0 3 329.293 4.281 20 10 EICDHN COc1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])ccn1 ZINC000776266611 1055120317 /nfs/dbraw/zinc/12/03/17/1055120317.db2.gz WOWFVKUUFHSYKR-HXUWFJFHSA-N 0 3 348.446 4.260 20 10 EICDHN CCN1CCN(c2ccccc2N[C@@H](C)c2ccc(C)cc2O)CC1 ZINC000186361540 1055391956 /nfs/dbraw/zinc/39/19/56/1055391956.db2.gz IGFVKBSAGHHOQE-KRWDZBQOSA-N 0 3 339.483 4.016 20 10 EICDHN C[C@H]([NH2+]CC1(CCOCc2ccccc2)CC1)c1ccccc1[O-] ZINC000186368242 1055402116 /nfs/dbraw/zinc/40/21/16/1055402116.db2.gz NVKNANAWOGALGC-KRWDZBQOSA-N 0 3 325.452 4.430 20 10 EICDHN CCOc1ccc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)c([O-])c1 ZINC000729682205 1032131689 /nfs/dbraw/zinc/13/16/89/1032131689.db2.gz UNKRCIRPAVFHQQ-UHFFFAOYSA-N 0 3 338.451 4.487 20 10 EICDHN CCOc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000153837465 1018737793 /nfs/dbraw/zinc/73/77/93/1018737793.db2.gz QJQBEMYJPBKVLG-HNNXBMFYSA-N 0 3 328.456 4.011 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2ncccc2c1)C[C@@H]1CCCO1 ZINC000160183690 1018805835 /nfs/dbraw/zinc/80/58/35/1018805835.db2.gz DKAFJJIPUOVKKK-FQEVSTJZSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc2ncccc2c1)C[C@@H]1CCCO1 ZINC000160183690 1018805837 /nfs/dbraw/zinc/80/58/37/1018805837.db2.gz DKAFJJIPUOVKKK-FQEVSTJZSA-N 0 3 348.446 4.122 20 10 EICDHN Cc1ccc([C@H](C)NCc2nc3cccc(Cl)c3n2C)c(O)c1C ZINC000274799383 1019601665 /nfs/dbraw/zinc/60/16/65/1019601665.db2.gz UQDGZENPQDVTRZ-ZDUSSCGKSA-N 0 3 343.858 4.400 20 10 EICDHN C[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C[C@H](C)O ZINC000275066235 1020072632 /nfs/dbraw/zinc/07/26/32/1020072632.db2.gz XVZUUAVCASLNCC-FUHIMQAGSA-N 0 3 327.468 4.063 20 10 EICDHN CC[C@@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1C)c1ccccc1[O-] ZINC000154966466 1020148897 /nfs/dbraw/zinc/14/88/97/1020148897.db2.gz ANQQTVJZISTUDP-OAQYLSRUSA-N 0 3 349.478 4.495 20 10 EICDHN Cc1ncc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])s1 ZINC000275158265 1020223106 /nfs/dbraw/zinc/22/31/06/1020223106.db2.gz AAKHUALJGGCAOA-VIFPVBQESA-N 0 3 341.274 4.079 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)c1ccccc1[O-] ZINC000155304418 1020457145 /nfs/dbraw/zinc/45/71/45/1020457145.db2.gz FNKHJMJYBFFMMO-SFHVURJKSA-N 0 3 339.414 4.266 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1[O-] ZINC000155335676 1020499798 /nfs/dbraw/zinc/49/97/98/1020499798.db2.gz CNIGKCPZUYYSRA-KSSFIOAISA-N 0 3 340.423 4.151 20 10 EICDHN CCCCNC(=O)c1ccc(C[NH2+][C@@H](CC)c2ccccc2[O-])cc1 ZINC000155357594 1020530782 /nfs/dbraw/zinc/53/07/82/1020530782.db2.gz DCAXBKZKTQGPLC-IBGZPJMESA-N 0 3 340.467 4.163 20 10 EICDHN CCCCNC(=O)c1ccc(C[NH2+][C@H](CC)c2ccccc2[O-])cc1 ZINC000155357696 1020532136 /nfs/dbraw/zinc/53/21/36/1020532136.db2.gz DCAXBKZKTQGPLC-LJQANCHMSA-N 0 3 340.467 4.163 20 10 EICDHN CC[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[O-] ZINC000155369537 1020546804 /nfs/dbraw/zinc/54/68/04/1020546804.db2.gz BFGNMTFIFJIFEA-LAUBAEHRSA-N 0 3 339.435 4.355 20 10 EICDHN CC[C@@H](c1ccccc1[O-])[N@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000377859624 1022053844 /nfs/dbraw/zinc/05/38/44/1022053844.db2.gz IGHCRPWOLCKGNF-IBGZPJMESA-N 0 3 328.456 4.033 20 10 EICDHN CC[C@@H](c1ccccc1[O-])[N@@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000377859624 1022053862 /nfs/dbraw/zinc/05/38/62/1022053862.db2.gz IGHCRPWOLCKGNF-IBGZPJMESA-N 0 3 328.456 4.033 20 10 EICDHN COc1ccc(CN[C@@H](C)c2oc3ccccc3c2C)c(O)c1OC ZINC000892616219 1022556602 /nfs/dbraw/zinc/55/66/02/1022556602.db2.gz YHKFBMVPJPPJNM-ZDUSSCGKSA-N 0 3 341.407 4.315 20 10 EICDHN C[C@H](c1cccc(Br)c1)N(C)Cc1cc(O)ccc1O ZINC001141163187 1023247185 /nfs/dbraw/zinc/24/71/85/1023247185.db2.gz UKWHFLCQNIFUCH-LLVKDONJSA-N 0 3 336.229 4.053 20 10 EICDHN C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000756532864 1023380267 /nfs/dbraw/zinc/38/02/67/1023380267.db2.gz GQVHSEMKZSPWHQ-DAYGRLMNSA-N 0 3 328.431 4.017 20 10 EICDHN CCc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000156284227 1023381003 /nfs/dbraw/zinc/38/10/03/1023381003.db2.gz RMVRFPILSNOZGX-CQSZACIVSA-N 0 3 348.487 4.137 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1OCCCOC)c1ccccc1[O-] ZINC000156310627 1023463654 /nfs/dbraw/zinc/46/36/54/1023463654.db2.gz YTCUSRXWJZLILH-LJQANCHMSA-N 0 3 343.467 4.357 20 10 EICDHN COc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000122432483 1023547738 /nfs/dbraw/zinc/54/77/38/1023547738.db2.gz IELJZKIWSFOZDP-GFCCVEGCSA-N 0 3 336.838 4.405 20 10 EICDHN CCCOc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1OC ZINC000078483825 1023623450 /nfs/dbraw/zinc/62/34/50/1023623450.db2.gz USMOVONCRTYCLY-MRXNPFEDSA-N 0 3 342.483 4.401 20 10 EICDHN COc1ccc(CN[C@H](C)c2cc3ccccc3o2)c(O)c1OC ZINC000893911657 1033160825 /nfs/dbraw/zinc/16/08/25/1033160825.db2.gz SWXUYUYVYVZTLJ-GFCCVEGCSA-N 0 3 327.380 4.006 20 10 EICDHN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310108596 1024348590 /nfs/dbraw/zinc/34/85/90/1024348590.db2.gz DQWQGWCIMOVFTQ-MAUKXSAKSA-N 0 3 344.886 4.046 20 10 EICDHN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000310108598 1024349158 /nfs/dbraw/zinc/34/91/58/1024349158.db2.gz DQWQGWCIMOVFTQ-QAPCUYQASA-N 0 3 344.886 4.046 20 10 EICDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCC(C)CC3)cc2)c(C)n1 ZINC000157500857 1025871497 /nfs/dbraw/zinc/87/14/97/1025871497.db2.gz DZIYCNBDLUNOPV-MRXNPFEDSA-N 0 3 338.499 4.181 20 10 EICDHN COC(=O)CC[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccccc21 ZINC000729464180 1026259280 /nfs/dbraw/zinc/25/92/80/1026259280.db2.gz NWSIBKRPKYFQJC-UHFFFAOYSA-N 0 3 349.430 4.111 20 10 EICDHN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccccc21 ZINC000729464180 1026259295 /nfs/dbraw/zinc/25/92/95/1026259295.db2.gz NWSIBKRPKYFQJC-UHFFFAOYSA-N 0 3 349.430 4.111 20 10 EICDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000161267633 1026612585 /nfs/dbraw/zinc/61/25/85/1026612585.db2.gz CJEQWBQRWSSPNT-MRXNPFEDSA-N 0 3 327.447 4.370 20 10 EICDHN CC[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)Cc1ccccc1[O-] ZINC001143446528 1026997002 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4.017 20 10 EICDHN COc1ccc(N2CCC(NCc3nc(C(C)C)cs3)CC2)cc1 ZINC000128611565 1031749477 /nfs/dbraw/zinc/74/94/77/1031749477.db2.gz SKENTCXXTBLYST-UHFFFAOYSA-N 0 3 345.512 4.034 20 10 EICDHN c1ccc2c(c1)ccnc2CNCc1ccc(N2CCSCC2)cc1 ZINC000894191813 1034661245 /nfs/dbraw/zinc/66/12/45/1034661245.db2.gz QQOSPVSUUCPABH-UHFFFAOYSA-N 0 3 349.503 4.078 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(C)cc1[O-] ZINC000280072072 1035154398 /nfs/dbraw/zinc/15/43/98/1035154398.db2.gz LCJRSNUARUAPOH-HXUWFJFHSA-N 0 3 335.451 4.186 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CCCc2c[nH]c3ccccc23)c1[O-] ZINC000761205451 1036041963 /nfs/dbraw/zinc/04/19/63/1036041963.db2.gz DSVZXRYEOXRELC-UHFFFAOYSA-N 0 3 344.842 4.258 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000156981541 1036787787 /nfs/dbraw/zinc/78/77/87/1036787787.db2.gz OBGLQRRCJGVPNL-NLWGTHIKSA-N 0 3 346.421 4.157 20 10 EICDHN COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc(OC)c1OC ZINC000273385102 1037444741 /nfs/dbraw/zinc/44/47/41/1037444741.db2.gz JIZQDRCWDDYYJC-KGLIPLIRSA-N 0 3 345.439 4.138 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)ccc1[O-] ZINC000273433626 1037465077 /nfs/dbraw/zinc/46/50/77/1037465077.db2.gz LMZYWJASYLYXAO-MOFZMDFASA-N 0 3 333.378 4.241 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000273468789 1037473227 /nfs/dbraw/zinc/47/32/27/1037473227.db2.gz ROQQTGKKWAJHNM-VHFSOBRXSA-N 0 3 329.415 4.411 20 10 EICDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273508963 1037489367 /nfs/dbraw/zinc/48/93/67/1037489367.db2.gz QLLPUEWSQUHFFS-IEBWSBKVSA-N 0 3 333.378 4.023 20 10 EICDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273508963 1037489373 /nfs/dbraw/zinc/48/93/73/1037489373.db2.gz QLLPUEWSQUHFFS-IEBWSBKVSA-N 0 3 333.378 4.023 20 10 EICDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273508967 1037489691 /nfs/dbraw/zinc/48/96/91/1037489691.db2.gz QLLPUEWSQUHFFS-PKOBYXMFSA-N 0 3 333.378 4.023 20 10 EICDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273508967 1037489703 /nfs/dbraw/zinc/48/97/03/1037489703.db2.gz QLLPUEWSQUHFFS-PKOBYXMFSA-N 0 3 333.378 4.023 20 10 EICDHN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2ccc(Br)cn2)c1 ZINC000281195294 1039818697 /nfs/dbraw/zinc/81/86/97/1039818697.db2.gz RNZKLBFIRGCDFU-RYUDHWBXSA-N 0 3 335.245 4.270 20 10 EICDHN CC(C)(C)OC(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000727429048 1043220741 /nfs/dbraw/zinc/22/07/41/1043220741.db2.gz WTEBNLRPUWDRQW-UHFFFAOYSA-N 0 3 341.451 4.099 20 10 EICDHN CN1CCCc2cc(CN[C@@H]3CCCOc4ccc(F)cc43)ccc21 ZINC000727645000 1043256066 /nfs/dbraw/zinc/25/60/66/1043256066.db2.gz UXPJBLPZBWYNEX-LJQANCHMSA-N 0 3 340.442 4.212 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc(OC)c(OC)cc1C ZINC000727831362 1043313044 /nfs/dbraw/zinc/31/30/44/1043313044.db2.gz XSIRBCJLHMIBOT-UHFFFAOYSA-N 0 3 329.440 4.130 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(OC)c(OC)cc1C ZINC000727831362 1043313055 /nfs/dbraw/zinc/31/30/55/1043313055.db2.gz XSIRBCJLHMIBOT-UHFFFAOYSA-N 0 3 329.440 4.130 20 10 EICDHN C[C@H](NC(C)(C)C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000733900979 1043855879 /nfs/dbraw/zinc/85/58/79/1043855879.db2.gz UTHUADFGXSTAIR-AWEZNQCLSA-N 0 3 332.875 4.265 20 10 EICDHN COC(=O)c1oc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1C ZINC000732204114 1043887005 /nfs/dbraw/zinc/88/70/05/1043887005.db2.gz DGHAKBHKTJKYRN-UHFFFAOYSA-N 0 3 343.423 4.025 20 10 EICDHN COC(=O)c1oc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1C ZINC000732204114 1043887011 /nfs/dbraw/zinc/88/70/11/1043887011.db2.gz DGHAKBHKTJKYRN-UHFFFAOYSA-N 0 3 343.423 4.025 20 10 EICDHN Cn1ccnc1C[N@H+](Cc1c([O-])ccc2ccccc21)C1CCCC1 ZINC000732202601 1043887553 /nfs/dbraw/zinc/88/75/53/1043887553.db2.gz YMDMWRVKGKTRHR-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN Cn1ccnc1C[N@@H+](Cc1c([O-])ccc2ccccc21)C1CCCC1 ZINC000732202601 1043887556 /nfs/dbraw/zinc/88/75/56/1043887556.db2.gz YMDMWRVKGKTRHR-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN Cn1ccnc1CN(Cc1c(O)ccc2ccccc21)C1CCCC1 ZINC000732202601 1043887559 /nfs/dbraw/zinc/88/75/59/1043887559.db2.gz YMDMWRVKGKTRHR-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000733334651 1044196695 /nfs/dbraw/zinc/19/66/95/1044196695.db2.gz NTUCULFVUXBLGY-LJQANCHMSA-N 0 3 344.886 4.108 20 10 EICDHN Cc1cccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000733334574 1044196926 /nfs/dbraw/zinc/19/69/26/1044196926.db2.gz MJDIAHFDQDCQEN-IBGZPJMESA-N 0 3 344.886 4.108 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000733331594 1044197319 /nfs/dbraw/zinc/19/73/19/1044197319.db2.gz HNMRLGFFFUNXHM-UHFFFAOYSA-N 0 3 347.414 4.120 20 10 EICDHN C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000734845859 1044698085 /nfs/dbraw/zinc/69/80/85/1044698085.db2.gz JTEPRPKXWGJXJG-VGOFRKELSA-N 0 3 347.458 4.313 20 10 EICDHN C[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)c1ccccc1 ZINC000735079028 1044737722 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[O-]c1ccccc1C[N@H+](Cc1cc2ccccc2o1)C[C@@H]1CCCO1 ZINC000767900715 1045677839 /nfs/dbraw/zinc/67/78/39/1045677839.db2.gz UKQLAKRYFSLUMK-SFHVURJKSA-N 0 3 337.419 4.320 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cc2ccccc2o1)C[C@@H]1CCCO1 ZINC000767900715 1045677827 /nfs/dbraw/zinc/67/78/27/1045677827.db2.gz UKQLAKRYFSLUMK-SFHVURJKSA-N 0 3 337.419 4.320 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccnc2ccccc12)C[C@@H]1CCCO1 ZINC000768160911 1045728573 /nfs/dbraw/zinc/72/85/73/1045728573.db2.gz CAMGMGOQKVOZGZ-IBGZPJMESA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccnc2ccccc12)C[C@@H]1CCCO1 ZINC000768160911 1045728582 /nfs/dbraw/zinc/72/85/82/1045728582.db2.gz CAMGMGOQKVOZGZ-IBGZPJMESA-N 0 3 348.446 4.122 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCOc3ccc(OC)cc32)cc1 ZINC000768287596 1045779920 /nfs/dbraw/zinc/77/99/20/1045779920.db2.gz SOEOHXBTHYOHOJ-YWZLYKJASA-N 0 3 340.467 4.326 20 10 EICDHN COc1cc(O)c(CN2CC=C(c3ccc(C)cc3)CC2)cc1OC ZINC000768442478 1045807254 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EICDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000768775454 1045840147 /nfs/dbraw/zinc/84/01/47/1045840147.db2.gz ANZZLODTBNVEIH-MRXNPFEDSA-N 0 3 336.435 4.262 20 10 EICDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000768775454 1045840145 /nfs/dbraw/zinc/84/01/45/1045840145.db2.gz ANZZLODTBNVEIH-MRXNPFEDSA-N 0 3 336.435 4.262 20 10 EICDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN(C)Cc1ccccc1O ZINC000768872156 1045850191 /nfs/dbraw/zinc/85/01/91/1045850191.db2.gz DULWSTRZHBKLSJ-UHFFFAOYSA-N 0 3 349.478 4.194 20 10 EICDHN COc1cccc([O-])c1C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000769122729 1045882119 /nfs/dbraw/zinc/88/21/19/1045882119.db2.gz UQMODOZBZFLKSF-UHFFFAOYSA-N 0 3 336.435 4.262 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000769427510 1045961694 /nfs/dbraw/zinc/96/16/94/1045961694.db2.gz MLUGJHRCKPZXJI-UHFFFAOYSA-N 0 3 333.435 4.162 20 10 EICDHN CCOc1ccc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)c([O-])c1 ZINC000769471881 1045985141 /nfs/dbraw/zinc/98/51/41/1045985141.db2.gz XVQXEMSXLNUJMX-UHFFFAOYSA-N 0 3 340.467 4.176 20 10 EICDHN CCOc1cccc(C[N@H+](C)C[C@@H](C)Cc2ccc(OC)cc2)c1[O-] ZINC000769519675 1046007447 /nfs/dbraw/zinc/00/74/47/1046007447.db2.gz WPZKEIRUOCWNDX-INIZCTEOSA-N 0 3 343.467 4.110 20 10 EICDHN CCOc1cccc(C[N@@H+](C)C[C@@H](C)Cc2ccc(OC)cc2)c1[O-] ZINC000769519675 1046007457 /nfs/dbraw/zinc/00/74/57/1046007457.db2.gz WPZKEIRUOCWNDX-INIZCTEOSA-N 0 3 343.467 4.110 20 10 EICDHN COc1cccc(O)c1CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000769554870 1046018729 /nfs/dbraw/zinc/01/87/29/1046018729.db2.gz BDROVJIFFMIEEW-UHFFFAOYSA-N 0 3 345.389 4.358 20 10 EICDHN Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000747100463 1046138265 /nfs/dbraw/zinc/13/82/65/1046138265.db2.gz IHEYEBGIWZJXOV-OAQYLSRUSA-N 0 3 333.431 4.191 20 10 EICDHN Cc1n[nH]cc1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000793609051 1046302095 /nfs/dbraw/zinc/30/20/95/1046302095.db2.gz MSYIAQCZFUGONC-UHFFFAOYSA-N 0 3 347.462 4.470 20 10 EICDHN Cc1cc(Cl)cc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1O ZINC000793613258 1046312732 /nfs/dbraw/zinc/31/27/32/1046312732.db2.gz LSOOLVIPIGRXHV-GXTWGEPZSA-N 0 3 334.674 4.370 20 10 EICDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1[O-] ZINC000793613258 1046312751 /nfs/dbraw/zinc/31/27/51/1046312751.db2.gz LSOOLVIPIGRXHV-GXTWGEPZSA-N 0 3 334.674 4.370 20 10 EICDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1[O-] ZINC000793613258 1046312769 /nfs/dbraw/zinc/31/27/69/1046312769.db2.gz LSOOLVIPIGRXHV-GXTWGEPZSA-N 0 3 334.674 4.370 20 10 EICDHN COc1ccc(N2CCCN(Cc3ccc(SC)cc3)CC2)cc1 ZINC000917089731 1046677508 /nfs/dbraw/zinc/67/75/08/1046677508.db2.gz IVHXRMOLLNIOGS-UHFFFAOYSA-N 0 3 342.508 4.129 20 10 EICDHN CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1C)N(C)C)c1ccccc1[O-] ZINC000785571940 1046724193 /nfs/dbraw/zinc/72/41/93/1046724193.db2.gz CSXCOYISSYOBLK-PBEJRMEISA-N 0 3 326.484 4.433 20 10 EICDHN C[C@@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806175961 1047163490 /nfs/dbraw/zinc/16/34/90/1047163490.db2.gz GPUMFPSTDAMNBP-AUUYWEPGSA-N 0 3 332.875 4.180 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000806176240 1047177148 /nfs/dbraw/zinc/17/71/48/1047177148.db2.gz KESYAIBZVSJFCX-HFBAOOFYSA-N 0 3 349.833 4.446 20 10 EICDHN C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788780001 1047314430 /nfs/dbraw/zinc/31/44/30/1047314430.db2.gz AEVWFLMPSIZKMV-ZDUSSCGKSA-N 0 3 344.421 4.184 20 10 EICDHN CCOC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(C)C ZINC000789589369 1047443056 /nfs/dbraw/zinc/44/30/56/1047443056.db2.gz PCBMZNGRGGOOCT-HXUWFJFHSA-N 0 3 343.467 4.122 20 10 EICDHN CCN(CC)c1ccc(CNCc2ccnn2-c2ccccc2)cc1 ZINC000790467221 1047600300 /nfs/dbraw/zinc/60/03/00/1047600300.db2.gz ANPOGSDNPXYHMT-UHFFFAOYSA-N 0 3 334.467 4.008 20 10 EICDHN CN(C)c1ccccc1CN(C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000808235806 1047851544 /nfs/dbraw/zinc/85/15/44/1047851544.db2.gz GVVFYHZLZXXSML-UHFFFAOYSA-N 0 3 342.483 4.093 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CSc3ccccc32)c1[O-] ZINC000824482669 1047873890 /nfs/dbraw/zinc/87/38/90/1047873890.db2.gz BLXSLCHDSFJMPI-LBPRGKRZSA-N 0 3 335.856 4.033 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3c(F)cccc32)c1[O-] ZINC000824468905 1047876958 /nfs/dbraw/zinc/87/69/58/1047876958.db2.gz RTNMDGNUGIEFBE-INIZCTEOSA-N 0 3 335.806 4.361 20 10 EICDHN COc1cc(Cl)cc(CNCc2cc(C3CC3)ccc2F)c1O ZINC000824549091 1047883703 /nfs/dbraw/zinc/88/37/03/1047883703.db2.gz YFWRGZWCQIEGHA-UHFFFAOYSA-N 0 3 335.806 4.361 20 10 EICDHN COC1(C[NH2+]Cc2ccccc2[O-])CCC(c2ccccc2)CC1 ZINC000808420164 1047898402 /nfs/dbraw/zinc/89/84/02/1047898402.db2.gz YKHXYQRCQHRZJT-UHFFFAOYSA-N 0 3 325.452 4.225 20 10 EICDHN Cc1csc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000824751086 1047939751 /nfs/dbraw/zinc/93/97/51/1047939751.db2.gz SNLSAFRNCPBNSP-UHFFFAOYSA-N 0 3 345.468 4.245 20 10 EICDHN Cc1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1[O-] ZINC000824893113 1047982993 /nfs/dbraw/zinc/98/29/93/1047982993.db2.gz KJXJUCADQRAECW-SJORKVTESA-N 0 3 335.875 4.135 20 10 EICDHN Cc1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1[O-] ZINC000824893113 1047983013 /nfs/dbraw/zinc/98/30/13/1047983013.db2.gz KJXJUCADQRAECW-SJORKVTESA-N 0 3 335.875 4.135 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1[O-] ZINC000808681070 1048033696 /nfs/dbraw/zinc/03/36/96/1048033696.db2.gz VYRQQTLKRYHWPV-CQSZACIVSA-N 0 3 341.842 4.391 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCn2cnc3ccccc32)c1[O-] ZINC000808681950 1048036909 /nfs/dbraw/zinc/03/69/09/1048036909.db2.gz KOKDAMCRJZFEDG-ZDUSSCGKSA-N 0 3 329.831 4.055 20 10 EICDHN Cc1cccc(CN[C@](C)(CO)c2cc(Cl)cc(Cl)c2)c1O ZINC000825130141 1048042295 /nfs/dbraw/zinc/04/22/95/1048042295.db2.gz NVLXOCRRUUFKGQ-QGZVFWFLSA-N 0 3 340.250 4.005 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1[O-] ZINC000808676277 1048044664 /nfs/dbraw/zinc/04/46/64/1048044664.db2.gz JXLQQULKSQEUPH-AWEZNQCLSA-N 0 3 345.874 4.069 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1[O-] ZINC000808675191 1048046222 /nfs/dbraw/zinc/04/62/22/1048046222.db2.gz YZOGXWSEHSWVPQ-NWDGAFQWSA-N 0 3 333.815 4.495 20 10 EICDHN COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808676975 1048047640 /nfs/dbraw/zinc/04/76/40/1048047640.db2.gz UVILHGLIDIGQRR-AWEZNQCLSA-N 0 3 349.858 4.230 20 10 EICDHN COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1OC ZINC000808677871 1048048395 /nfs/dbraw/zinc/04/83/95/1048048395.db2.gz GJLFUFJUTGXXMO-LBPRGKRZSA-N 0 3 335.831 4.222 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1[O-] ZINC000808711419 1048059788 /nfs/dbraw/zinc/05/97/88/1048059788.db2.gz GEIPFYSCLWGCCT-LBPRGKRZSA-N 0 3 345.826 4.423 20 10 EICDHN COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712916 1048060999 /nfs/dbraw/zinc/06/09/99/1048060999.db2.gz JGNBNKYTNKLFPT-DZGCQCFKSA-N 0 3 337.847 4.245 20 10 EICDHN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808700891 1048080190 /nfs/dbraw/zinc/08/01/90/1048080190.db2.gz MWJANXNSSDAPPZ-YVLOBAKFSA-N 0 3 343.920 4.084 20 10 EICDHN Cc1cc(CN2CC(c3nc4ccccc4s3)C2)ccc1N(C)C ZINC000815078723 1048321361 /nfs/dbraw/zinc/32/13/61/1048321361.db2.gz GLTOKCGEGUFVBN-UHFFFAOYSA-N 0 3 337.492 4.270 20 10 EICDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)c([O-])c1 ZINC000815166247 1048359553 /nfs/dbraw/zinc/35/95/53/1048359553.db2.gz DXBOIHBNKYRYQH-SHTZXODSSA-N 0 3 331.843 4.480 20 10 EICDHN COc1cc(Br)cc(C[NH2+]C2CC(C(C)(C)C)C2)c1[O-] ZINC000815146379 1048367214 /nfs/dbraw/zinc/36/72/14/1048367214.db2.gz GJBCWDUOXNNEGM-UHFFFAOYSA-N 0 3 342.277 4.078 20 10 EICDHN C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809704225 1048489053 /nfs/dbraw/zinc/48/90/53/1048489053.db2.gz WMSDRLNCROIGNQ-UTKZUKDTSA-N 0 3 336.479 4.118 20 10 EICDHN C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809704225 1048489058 /nfs/dbraw/zinc/48/90/58/1048489058.db2.gz WMSDRLNCROIGNQ-UTKZUKDTSA-N 0 3 336.479 4.118 20 10 EICDHN Cc1cccc(CN[C@@H](C)c2ccc(Br)cc2F)c1O ZINC000809719670 1048497319 /nfs/dbraw/zinc/49/73/19/1048497319.db2.gz LQLLGYBCFBGKLR-NSHDSACASA-N 0 3 338.220 4.453 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCC1(F)CCC1 ZINC000809769787 1048502814 /nfs/dbraw/zinc/50/28/14/1048502814.db2.gz KVRFHCWVNZPWLJ-UHFFFAOYSA-N 0 3 329.415 4.343 20 10 EICDHN C[C@@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCOC1 ZINC000815578988 1048518849 /nfs/dbraw/zinc/51/88/49/1048518849.db2.gz BZHZARVAUQJGCZ-FPOVZHCZSA-N 0 3 325.452 4.082 20 10 EICDHN CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815601019 1048533390 /nfs/dbraw/zinc/53/33/90/1048533390.db2.gz LMNNAPRCWZHPFD-RCZSKKKRSA-N 0 3 339.479 4.471 20 10 EICDHN C[C@@H](CO)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815598894 1048533483 /nfs/dbraw/zinc/53/34/83/1048533483.db2.gz FSMQTTSUGMQETB-XLIONFOSSA-N 0 3 327.468 4.064 20 10 EICDHN C[C@@H]1COCC[C@@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815626003 1048551018 /nfs/dbraw/zinc/55/10/18/1048551018.db2.gz RVPNYOKKMFCFCT-YFVAEKQCSA-N 0 3 339.479 4.328 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2ccc(CSC(F)F)o2)c1 ZINC000845971869 1048769776 /nfs/dbraw/zinc/76/97/76/1048769776.db2.gz GFDGYOOELMEJPF-JTQLQIEISA-N 0 3 343.395 4.300 20 10 EICDHN CCOc1cc(Cl)ccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846157362 1048824651 /nfs/dbraw/zinc/82/46/51/1048824651.db2.gz LFGQSQYDLUVMAH-LBPRGKRZSA-N 0 3 335.831 4.304 20 10 EICDHN COc1cccc([C@@H](C)N[C@@H]2CCCOc3ccc(F)cc32)c1O ZINC000846141626 1048830420 /nfs/dbraw/zinc/83/04/20/1048830420.db2.gz LAMPGWRNGVRJGD-MLGOLLRUSA-N 0 3 331.387 4.104 20 10 EICDHN Cc1ccc([C@H](C)N[C@@H](Cc2ccccc2)c2nccn2C)c(O)c1C ZINC000846208150 1048832583 /nfs/dbraw/zinc/83/25/83/1048832583.db2.gz WBPFJRGVVGQTCT-PXNSSMCTSA-N 0 3 349.478 4.377 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(C)cc1[O-] ZINC000846200945 1048841509 /nfs/dbraw/zinc/84/15/09/1048841509.db2.gz JTHCATIPWYLJBI-POAQFYNOSA-N 0 3 326.440 4.057 20 10 EICDHN C[C@H](c1ccccc1)[N@H+](CCCc1cncn1C)Cc1ccccc1[O-] ZINC000846839429 1048916656 /nfs/dbraw/zinc/91/66/56/1048916656.db2.gz FCUITGSKPKPNFA-GOSISDBHSA-N 0 3 349.478 4.322 20 10 EICDHN C[C@H](c1ccccc1)[N@@H+](CCCc1cncn1C)Cc1ccccc1[O-] ZINC000846839429 1048916664 /nfs/dbraw/zinc/91/66/64/1048916664.db2.gz FCUITGSKPKPNFA-GOSISDBHSA-N 0 3 349.478 4.322 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCC1(O)CCC1 ZINC000817587420 1049015212 /nfs/dbraw/zinc/01/52/12/1049015212.db2.gz WMRCJPZOLXMYHY-FQEVSTJZSA-N 0 3 339.479 4.351 20 10 EICDHN CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966635 1049072022 /nfs/dbraw/zinc/07/20/22/1049072022.db2.gz SDTFNNUNRPGVCS-BBRMVZONSA-N 0 3 331.287 4.129 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c([O-])c1 ZINC000817975077 1049074361 /nfs/dbraw/zinc/07/43/61/1049074361.db2.gz IIZJCPDIGIMAHY-CXAGYDPISA-N 0 3 326.440 4.236 20 10 EICDHN COc1cccc(CNC(C)(C)c2cc(Cl)ccc2OC)c1O ZINC000818231190 1049117096 /nfs/dbraw/zinc/11/70/96/1049117096.db2.gz ICMAPMWONBMASW-UHFFFAOYSA-N 0 3 335.831 4.088 20 10 EICDHN CCCOc1ccc(CNCc2cccc(Cn3cccn3)c2)cc1C ZINC001177434680 1050219825 /nfs/dbraw/zinc/21/98/25/1050219825.db2.gz ZSIQUCUOFTWDBZ-UHFFFAOYSA-N 0 3 349.478 4.318 20 10 EICDHN COc1ccc(CNCc2cccc(Br)c2C)cc1C ZINC001179039265 1050613046 /nfs/dbraw/zinc/61/30/46/1050613046.db2.gz GTHAZEOXKQVXJI-UHFFFAOYSA-N 0 3 334.257 4.364 20 10 EICDHN C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000763522637 1050614387 /nfs/dbraw/zinc/61/43/87/1050614387.db2.gz FMPVWFFEAUZJOU-MGPUTAFESA-N 0 3 337.419 4.254 20 10 EICDHN CCc1cccc(CN(C)Cc2csc(Br)c2)c1O ZINC001179967085 1050850425 /nfs/dbraw/zinc/85/04/25/1050850425.db2.gz XRCOYUQGRRMYQJ-UHFFFAOYSA-N 0 3 340.286 4.411 20 10 EICDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c([O-])c1 ZINC001180043149 1050863775 /nfs/dbraw/zinc/86/37/75/1050863775.db2.gz OTBPJXKVTFTOAG-SFHVURJKSA-N 0 3 325.452 4.306 20 10 EICDHN COc1cc(C)c(C[N@H+]2CCC[C@H]2CCc2ccccc2)c([O-])c1 ZINC001180043149 1050863778 /nfs/dbraw/zinc/86/37/78/1050863778.db2.gz OTBPJXKVTFTOAG-SFHVURJKSA-N 0 3 325.452 4.306 20 10 EICDHN Cc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC001180194880 1050926116 /nfs/dbraw/zinc/92/61/16/1050926116.db2.gz NAAUCZFYXRLMOE-FPOVZHCZSA-N 0 3 325.452 4.300 20 10 EICDHN Cc1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC001180194880 1050926129 /nfs/dbraw/zinc/92/61/29/1050926129.db2.gz NAAUCZFYXRLMOE-FPOVZHCZSA-N 0 3 325.452 4.300 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001180348888 1050962640 /nfs/dbraw/zinc/96/26/40/1050962640.db2.gz FJGHHOBGFROLPT-MAUKXSAKSA-N 0 3 344.886 4.046 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1[O-] ZINC001180521168 1051016093 /nfs/dbraw/zinc/01/60/93/1051016093.db2.gz JNIHFGVOGRDGHR-QGZVFWFLSA-N 0 3 331.843 4.261 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1[O-] ZINC001180521168 1051016107 /nfs/dbraw/zinc/01/61/07/1051016107.db2.gz JNIHFGVOGRDGHR-QGZVFWFLSA-N 0 3 331.843 4.261 20 10 EICDHN CCOc1cc2c(cc1C[NH2+][C@@H](CC)c1ccccc1[O-])O[C@@H](C)C2 ZINC000183349171 1051094909 /nfs/dbraw/zinc/09/49/09/1051094909.db2.gz LUUMCYPTQKMUHK-KSSFIOAISA-N 0 3 341.451 4.355 20 10 EICDHN C[C@@H]([NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183504384 1051137406 /nfs/dbraw/zinc/13/74/06/1051137406.db2.gz HPLHTCLQQNTFER-HZPDHXFCSA-N 0 3 348.487 4.080 20 10 EICDHN COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000183500131 1051138665 /nfs/dbraw/zinc/13/86/65/1051138665.db2.gz SCKMDOUSGXTYEI-AWEZNQCLSA-N 0 3 329.440 4.038 20 10 EICDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)c([O-])c1 ZINC001181102002 1051148356 /nfs/dbraw/zinc/14/83/56/1051148356.db2.gz HXBIVGRHKDWQEA-WOJBJXKFSA-N 0 3 325.452 4.174 20 10 EICDHN Cc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000774483408 1051614915 /nfs/dbraw/zinc/61/49/15/1051614915.db2.gz KGHBTFADFOJBRU-IRXDYDNUSA-N 0 3 339.483 4.047 20 10 EICDHN CC[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000775498164 1051617968 /nfs/dbraw/zinc/61/79/68/1051617968.db2.gz XSSWWDDZZMTYBU-KRWDZBQOSA-N 0 3 341.451 4.182 20 10 EICDHN CC[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccccc1[O-] ZINC000775514094 1051662545 /nfs/dbraw/zinc/66/25/45/1051662545.db2.gz VTHCIRACBVUINX-RTBURBONSA-N 0 3 335.451 4.150 20 10 EICDHN CC[C@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775523908 1051698490 /nfs/dbraw/zinc/69/84/90/1051698490.db2.gz AYFARGCLTAKOLG-HOTGVXAUSA-N 0 3 339.357 4.185 20 10 EICDHN C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1[O-] ZINC001183355948 1051828662 /nfs/dbraw/zinc/82/86/62/1051828662.db2.gz ZGDPWBAIYBBYJK-XHSDSOJGSA-N 0 3 348.487 4.078 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H]2Cc2ccccc2)c1[O-] ZINC001184338519 1051995522 /nfs/dbraw/zinc/99/55/22/1051995522.db2.gz MRZICUCFZZERPD-LSDHHAIUSA-N 0 3 331.843 4.023 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000184912103 1052295235 /nfs/dbraw/zinc/29/52/35/1052295235.db2.gz UWNJMZHQUJSRAN-GFCCVEGCSA-N 0 3 325.330 4.450 20 10 EICDHN CCc1noc(CC)c1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185678654 1052676673 /nfs/dbraw/zinc/67/66/73/1052676673.db2.gz GPJPVPVGPVJGAT-CYBMUJFWSA-N 0 3 328.456 4.235 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C)cc2OCC2CC2)c1 ZINC000185678194 1052676785 /nfs/dbraw/zinc/67/67/85/1052676785.db2.gz RMHCIZOUVLQJTJ-OAHLLOKOSA-N 0 3 341.451 4.349 20 10 EICDHN Cc1ncsc1-c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000850112564 1053072993 /nfs/dbraw/zinc/07/29/93/1053072993.db2.gz ZPYJVKQEIREHCN-UHFFFAOYSA-N 0 3 336.460 4.343 20 10 EICDHN Cn1nccc1CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000101591805 1053235331 /nfs/dbraw/zinc/23/53/31/1053235331.db2.gz FBIROABKRRMLMK-UHFFFAOYSA-N 0 3 329.488 4.011 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H]3C)c2c1 ZINC000794654576 1053252431 /nfs/dbraw/zinc/25/24/31/1053252431.db2.gz DHGQHVFIPKOXPZ-BZNIZROVSA-N 0 3 339.357 4.327 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](C(F)(F)F)[C@H]3C)c2c1 ZINC000794654576 1053252450 /nfs/dbraw/zinc/25/24/50/1053252450.db2.gz DHGQHVFIPKOXPZ-BZNIZROVSA-N 0 3 339.357 4.327 20 10 EICDHN C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000850504809 1053263903 /nfs/dbraw/zinc/26/39/03/1053263903.db2.gz FQDDRJJHSXFVAR-ZUZCIYMTSA-N 0 3 335.341 4.072 20 10 EICDHN Cc1ccncc1CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000850505169 1053264551 /nfs/dbraw/zinc/26/45/51/1053264551.db2.gz NZYPXUOYODGOOJ-ZDUSSCGKSA-N 0 3 349.272 4.060 20 10 EICDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1[O-] ZINC000850554584 1053308512 /nfs/dbraw/zinc/30/85/12/1053308512.db2.gz COZGVQVICOPLEG-JDNHERCYSA-N 0 3 344.213 4.222 20 10 EICDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850554950 1053309654 /nfs/dbraw/zinc/30/96/54/1053309654.db2.gz IQDASXJEOKVVGX-HOCLYGCPSA-N 0 3 338.234 4.010 20 10 EICDHN C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1[O-] ZINC000850558585 1053316212 /nfs/dbraw/zinc/31/62/12/1053316212.db2.gz UDNGEKFLZOCXKA-QFYYESIMSA-N 0 3 326.223 4.083 20 10 EICDHN Cc1ccc(O)c([C@@H](C)NCc2cc(F)ccc2OC(F)F)c1 ZINC000850569568 1053321197 /nfs/dbraw/zinc/32/11/97/1053321197.db2.gz JFUUVZDFLGMLJO-LLVKDONJSA-N 0 3 325.330 4.292 20 10 EICDHN CC[C@H]([NH2+]CCCOc1ccccc1OC)c1ccc(C)cc1[O-] ZINC000794804360 1053396534 /nfs/dbraw/zinc/39/65/34/1053396534.db2.gz DPGUBPHEZNCEDF-KRWDZBQOSA-N 0 3 329.440 4.219 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1OCCOC)c1ccc(C)cc1[O-] ZINC000794809643 1053415734 /nfs/dbraw/zinc/41/57/34/1053415734.db2.gz HEKODVLGLPVLED-LJQANCHMSA-N 0 3 343.467 4.275 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000794807821 1053416297 /nfs/dbraw/zinc/41/62/97/1053416297.db2.gz LVSPPRYKRQFTAM-YJBOKZPZSA-N 0 3 343.467 4.390 20 10 EICDHN CC[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(C)cc1[O-] ZINC000794811959 1053428403 /nfs/dbraw/zinc/42/84/03/1053428403.db2.gz UZLFQGDHAGPHHR-OAHLLOKOSA-N 0 3 330.497 4.319 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)cc1[O-] ZINC000794811848 1053430703 /nfs/dbraw/zinc/43/07/03/1053430703.db2.gz ZEMZWZRFIMILKK-WFASDCNBSA-N 0 3 325.412 4.084 20 10 EICDHN Cc1nc(C)c([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000765256879 1053483473 /nfs/dbraw/zinc/48/34/73/1053483473.db2.gz YUEMEFSVGBCCCA-KGLIPLIRSA-N 0 3 345.512 4.008 20 10 EICDHN CCC[C@@H](NCc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120568498 1053516810 /nfs/dbraw/zinc/51/68/10/1053516810.db2.gz BTRKMHILLYIJOX-LJQANCHMSA-N 0 3 327.428 4.292 20 10 EICDHN CCn1nccc1CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000853239213 1053655758 /nfs/dbraw/zinc/65/57/58/1053655758.db2.gz CFFVHXMOCUQAAT-QGZVFWFLSA-N 0 3 326.488 4.134 20 10 EICDHN C[C@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000853239989 1053656310 /nfs/dbraw/zinc/65/63/10/1053656310.db2.gz FDDRXGIEXVMCBE-ZANVPECISA-N 0 3 340.320 4.283 20 10 EICDHN Cn1cc(C[N@H+](Cc2c([O-])ccc3ccccc32)C2CCCC2)cn1 ZINC000111232487 1053663711 /nfs/dbraw/zinc/66/37/11/1053663711.db2.gz QCEYMCYDSWZYBG-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN Cn1cc(C[N@@H+](Cc2c([O-])ccc3ccccc32)C2CCCC2)cn1 ZINC000111232487 1053663716 /nfs/dbraw/zinc/66/37/16/1053663716.db2.gz QCEYMCYDSWZYBG-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1cc2c(ccnc2Cl)o1 ZINC000866252415 1053665420 /nfs/dbraw/zinc/66/54/20/1053665420.db2.gz JEILKFPEDXGRJF-LLVKDONJSA-N 0 3 328.799 4.267 20 10 EICDHN C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000866409637 1053719535 /nfs/dbraw/zinc/71/95/35/1053719535.db2.gz PIERJMVODPBNGM-QLJPJBMISA-N 0 3 341.785 4.098 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1cccc(OC)c1OC ZINC000866508836 1053759096 /nfs/dbraw/zinc/75/90/96/1053759096.db2.gz SBCOIAMUAMXBOZ-WBMJQRKESA-N 0 3 333.403 4.350 20 10 EICDHN C[C@H](NCc1cc(Cl)cs1)c1ccc(N2CCOCC2)cc1 ZINC000785438127 1053849143 /nfs/dbraw/zinc/84/91/43/1053849143.db2.gz CKQKDSHFUSSYHL-ZDUSSCGKSA-N 0 3 336.888 4.089 20 10 EICDHN Cc1ccc([C@H](C)NCc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000122706907 1054020801 /nfs/dbraw/zinc/02/08/01/1054020801.db2.gz GGXGVZCINCUTFK-HNNXBMFYSA-N 0 3 327.428 4.128 20 10 EICDHN Cc1c([C@H](C)NCc2ccc3c(c2)CCCN3C)cccc1[N+](=O)[O-] ZINC000122933797 1054062121 /nfs/dbraw/zinc/06/21/21/1054062121.db2.gz QAIWTYJZAXGHSP-HNNXBMFYSA-N 0 3 339.439 4.136 20 10 EICDHN Cc1cccc(Cl)c1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835603 1054114146 /nfs/dbraw/zinc/11/41/46/1054114146.db2.gz VJYWBOAMMUWBKW-AWEZNQCLSA-N 0 3 345.874 4.004 20 10 EICDHN COc1ccc(O)c(CNCc2ccc(-c3c(F)cccc3F)o2)c1 ZINC000115618533 1054365011 /nfs/dbraw/zinc/36/50/11/1054365011.db2.gz VPOJJFQJYVIZNJ-UHFFFAOYSA-N 0 3 345.345 4.229 20 10 EICDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC000776012352 1054445686 /nfs/dbraw/zinc/44/56/86/1054445686.db2.gz YSIGQOQAOMKUAE-MSOLQXFVSA-N 0 3 325.452 4.382 20 10 EICDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC000776012352 1054445691 /nfs/dbraw/zinc/44/56/91/1054445691.db2.gz YSIGQOQAOMKUAE-MSOLQXFVSA-N 0 3 325.452 4.382 20 10 EICDHN CCOc1cccc(CNCc2csc(C(F)(F)F)c2)c1O ZINC000858304765 1054457710 /nfs/dbraw/zinc/45/77/10/1054457710.db2.gz IGFXMGDPJMYNSC-UHFFFAOYSA-N 0 3 331.359 4.161 20 10 EICDHN CCOc1ccc(O)c(CNCc2csc(C(F)(F)F)c2)c1 ZINC000858304741 1054458133 /nfs/dbraw/zinc/45/81/33/1054458133.db2.gz IGBRXRVUSHZAEW-UHFFFAOYSA-N 0 3 331.359 4.161 20 10 EICDHN CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000858498453 1054503764 /nfs/dbraw/zinc/50/37/64/1054503764.db2.gz PRIDRLBLHIRCSD-CYBMUJFWSA-N 0 3 346.858 4.188 20 10 EICDHN C[C@H]([NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccccc1[O-] ZINC000858574440 1054521959 /nfs/dbraw/zinc/52/19/59/1054521959.db2.gz KRVWZXIGDAFGFJ-MEDUHNTESA-N 0 3 340.250 4.473 20 10 EICDHN CCN(C)c1ccc(CN[C@@H](C)c2ccc(OC)cc2OC)cc1 ZINC000859631360 1054707797 /nfs/dbraw/zinc/70/77/97/1054707797.db2.gz LEFNLTADLHOZMG-HNNXBMFYSA-N 0 3 328.456 4.011 20 10 EICDHN Cc1c2ccccc2n(C)c1CN[C@@H]1CCCc2cnn(C(C)C)c21 ZINC001201889409 1054936725 /nfs/dbraw/zinc/93/67/25/1054936725.db2.gz ODONEMSKFGYWDE-GOSISDBHSA-N 0 3 336.483 4.431 20 10 EICDHN Cc1cccc2oc(CC[NH2+]Cc3cc(Cl)cc(C)c3[O-])nc21 ZINC000776220332 1054937018 /nfs/dbraw/zinc/93/70/18/1054937018.db2.gz VGRXKTYCGADAMS-UHFFFAOYSA-N 0 3 330.815 4.136 20 10 EICDHN Cc1cccc([O-])c1C[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336610 1055043057 /nfs/dbraw/zinc/04/30/57/1055043057.db2.gz LCBOETKVNHNHCW-PXNSSMCTSA-N 0 3 329.415 4.192 20 10 EICDHN Cc1cccc([O-])c1C[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877336610 1055043073 /nfs/dbraw/zinc/04/30/73/1055043073.db2.gz LCBOETKVNHNHCW-PXNSSMCTSA-N 0 3 329.415 4.192 20 10 EICDHN Cc1nc2ccccc2n1C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000877491015 1055064532 /nfs/dbraw/zinc/06/45/32/1055064532.db2.gz MDPJUAPOZOQKIS-UHFFFAOYSA-N 0 3 335.451 4.196 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000862536073 1055080672 /nfs/dbraw/zinc/08/06/72/1055080672.db2.gz CUAVIPNCVIRDDT-HNNXBMFYSA-N 0 3 344.213 4.051 20 10 EICDHN COc1ccc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000776263560 1055095923 /nfs/dbraw/zinc/09/59/23/1055095923.db2.gz FBGUHKSBFACVRR-FQEVSTJZSA-N 0 3 348.446 4.260 20 10 EICDHN C[C@H](NCc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1O ZINC000877757081 1055114961 /nfs/dbraw/zinc/11/49/61/1055114961.db2.gz FLSDLOZQRJSOAQ-NSHDSACASA-N 0 3 349.356 4.149 20 10 EICDHN Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755820 1055115322 /nfs/dbraw/zinc/11/53/22/1055115322.db2.gz OBVJHRMEODOAFK-LLVKDONJSA-N 0 3 327.453 4.138 20 10 EICDHN COc1cc(CN[C@@H]2CCCc3occc32)c(O)c(C(C)(C)C)c1 ZINC000850029774 1055326536 /nfs/dbraw/zinc/32/65/36/1055326536.db2.gz KBNKLQSFZUSYNV-QGZVFWFLSA-N 0 3 329.440 4.459 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)c2c1c(F)ccc2[O-] ZINC000765805991 1055407646 /nfs/dbraw/zinc/40/76/46/1055407646.db2.gz AZLHWHIXMKVLPS-VZMUKZCBSA-N 0 3 349.833 4.230 20 10 EICDHN CC(C)(C)n1ncc2c1CCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921686753 1055796674 /nfs/dbraw/zinc/79/66/74/1055796674.db2.gz XGGBGCXQPOAQCX-GOSISDBHSA-N 0 3 339.483 4.130 20 10 EICDHN CC1CCN(c2ccc(CNCc3cnn(C4CCC4)c3)cc2)CC1 ZINC000921714029 1056102623 /nfs/dbraw/zinc/10/26/23/1056102623.db2.gz CTYZIZQARFJFBD-UHFFFAOYSA-N 0 3 338.499 4.134 20 10 EICDHN Cc1ccccc1[C@@H]1CN(Cc2cc3c(cc2O)CCC3)[C@H](C)CO1 ZINC000742167426 1058529784 /nfs/dbraw/zinc/52/97/84/1058529784.db2.gz FVSRFMNRVBUXCS-ZHRRBRCNSA-N 0 3 337.463 4.151 20 10 EICDHN CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]2CCCO[C@@H]21 ZINC000742376789 1058601538 /nfs/dbraw/zinc/60/15/38/1058601538.db2.gz HGZULDOFIGCISK-TYPHKJRUSA-N 0 3 337.463 4.352 20 10 EICDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000743870155 1059189948 /nfs/dbraw/zinc/18/99/48/1059189948.db2.gz JIUGYGQTFULKRB-MRXNPFEDSA-N 0 3 340.467 4.194 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1Cc1ccccc1 ZINC000379641503 1059711704 /nfs/dbraw/zinc/71/17/04/1059711704.db2.gz DABPEDHBYNHZSV-UXPWSPDFSA-N 0 3 336.479 4.022 20 10 EICDHN Cc1ccc([C@@H](C)NCc2cc(F)ccc2Br)c(O)c1 ZINC000038039029 213195861 /nfs/dbraw/zinc/19/58/61/213195861.db2.gz IUBZVWBCULSABE-LLVKDONJSA-N 0 3 338.220 4.453 20 10 EICDHN CC[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1[O-] ZINC000274748244 1019169264 /nfs/dbraw/zinc/16/92/64/1019169264.db2.gz GXPVXEATLXPZHP-MOMVYJMYSA-N 0 3 325.452 4.263 20 10 EICDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1 ZINC000078973730 1021127501 /nfs/dbraw/zinc/12/75/01/1021127501.db2.gz NJONOIAYQFKHTF-CYBMUJFWSA-N 0 3 336.888 4.089 20 10 EICDHN COCc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000725846045 1021343502 /nfs/dbraw/zinc/34/35/02/1021343502.db2.gz QZVHDFPDJSKTDR-UHFFFAOYSA-N 0 3 333.431 4.495 20 10 EICDHN C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310905356 1022574101 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Cc1c2ccccc2n(C)c1CN[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000519518306 1025865668 /nfs/dbraw/zinc/86/56/68/1025865668.db2.gz ZCJFMEFNEIEOQO-IBGZPJMESA-N 0 3 337.471 4.016 20 10 EICDHN COc1ccc(CN2CC3(CCC3)[C@@H]2c2ccccc2)c(O)c1OC ZINC000894611722 1026255068 /nfs/dbraw/zinc/25/50/68/1026255068.db2.gz YXKUUUDERDMRSL-FQEVSTJZSA-N 0 3 339.435 4.137 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2sccc2Br)c1 ZINC000147959342 1027537741 /nfs/dbraw/zinc/53/77/41/1027537741.db2.gz YYNDFKZAXFJWCF-SECBINFHSA-N 0 3 342.258 4.076 20 10 EICDHN CCN(C)c1ccc([C@@H](C)NCc2ccc3c(c2)OCCCO3)cc1 ZINC000161843099 1029070776 /nfs/dbraw/zinc/07/07/76/1029070776.db2.gz MTQVVSUEOBUGNT-MRXNPFEDSA-N 0 3 340.467 4.155 20 10 EICDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367317020 1029337617 /nfs/dbraw/zinc/33/76/17/1029337617.db2.gz GZEWFWDIUVFSHL-LPHOPBHVSA-N 0 3 339.483 4.256 20 10 EICDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367317020 1029337632 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EICDHN CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C)cc1[O-] ZINC000280038341 1035135543 /nfs/dbraw/zinc/13/55/43/1035135543.db2.gz IQLJEVGABRYGLN-DNVCBOLYSA-N 0 3 336.439 4.083 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000760649896 1035863246 /nfs/dbraw/zinc/86/32/46/1035863246.db2.gz HEXMKUCUPSCICQ-FQEVSTJZSA-N 0 3 325.452 4.498 20 10 EICDHN CCN(Cc1ccccc1)c1ccc(CNCc2cccnc2)cc1 ZINC000060806643 1036488507 /nfs/dbraw/zinc/48/85/07/1036488507.db2.gz QPDXLNBJHVFSIN-UHFFFAOYSA-N 0 3 331.463 4.398 20 10 EICDHN C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(F)ccc1[O-] ZINC000273433627 1037463558 /nfs/dbraw/zinc/46/35/58/1037463558.db2.gz LMZYWJASYLYXAO-UVIMBBFXSA-N 0 3 333.378 4.241 20 10 EICDHN Oc1cc2c(cc1CNC(c1ccccc1)c1ccccc1)OCO2 ZINC000063255910 1038142921 /nfs/dbraw/zinc/14/29/21/1038142921.db2.gz KQAPGZSEWBHSEG-UHFFFAOYSA-N 0 3 333.387 4.000 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc(Br)s2)c([O-])c1 ZINC000230659473 1038223965 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COC(=O)c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c(C)o1 ZINC000731846452 1043834902 /nfs/dbraw/zinc/83/49/02/1043834902.db2.gz ZPPNBDLBXNSEBZ-UHFFFAOYSA-N 0 3 343.423 4.025 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccc(F)cc1F)C1CCCC1 ZINC000732204248 1043887269 /nfs/dbraw/zinc/88/72/69/1043887269.db2.gz GTXIGELLCIUCSS-FQEVSTJZSA-N 0 3 347.405 4.149 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccc(F)cc1F)C1CCCC1 ZINC000732204248 1043887274 /nfs/dbraw/zinc/88/72/74/1043887274.db2.gz GTXIGELLCIUCSS-FQEVSTJZSA-N 0 3 347.405 4.149 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000766136012 1044322821 /nfs/dbraw/zinc/32/28/21/1044322821.db2.gz GVACKCQUWVHXGO-PGRDOPGGSA-N 0 3 348.494 4.431 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCSc1ccccc1)C[C@@H]1CCCO1 ZINC000735494326 1044831933 /nfs/dbraw/zinc/83/19/33/1044831933.db2.gz XXYQEUXZSRFAPD-SFHVURJKSA-N 0 3 343.492 4.166 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCSc1ccccc1)C[C@@H]1CCCO1 ZINC000735494326 1044831935 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ZINC000768160780 1045728481 /nfs/dbraw/zinc/72/84/81/1045728481.db2.gz PPDLXRVHRCQDQU-UHFFFAOYSA-N 0 3 337.366 4.024 20 10 EICDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c([O-])c1 ZINC000768160780 1045728499 /nfs/dbraw/zinc/72/84/99/1045728499.db2.gz PPDLXRVHRCQDQU-UHFFFAOYSA-N 0 3 337.366 4.024 20 10 EICDHN C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000768163588 1045730611 /nfs/dbraw/zinc/73/06/11/1045730611.db2.gz ZVEQHUUYSRIBMJ-HHXXYDBFSA-N 0 3 341.451 4.290 20 10 EICDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1F ZINC000768161611 1045731815 /nfs/dbraw/zinc/73/18/15/1045731815.db2.gz IBFRECQBVDDPAF-SFHVURJKSA-N 0 3 329.415 4.021 20 10 EICDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1F ZINC000768161611 1045731830 /nfs/dbraw/zinc/73/18/30/1045731830.db2.gz IBFRECQBVDDPAF-SFHVURJKSA-N 0 3 329.415 4.021 20 10 EICDHN Cc1ccc(O)c(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000768990498 1045868340 /nfs/dbraw/zinc/86/83/40/1045868340.db2.gz GBBYDKLIOWKXPE-VXGBXAGGSA-N 0 3 341.295 4.263 20 10 EICDHN CCN(C)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000792167538 1045872058 /nfs/dbraw/zinc/87/20/58/1045872058.db2.gz JQSAJNVAHDNBTP-UHFFFAOYSA-N 0 3 339.483 4.188 20 10 EICDHN CCN(C)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000792167538 1045872062 /nfs/dbraw/zinc/87/20/62/1045872062.db2.gz JQSAJNVAHDNBTP-UHFFFAOYSA-N 0 3 339.483 4.188 20 10 EICDHN COc1cccc([O-])c1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000769326982 1045923188 /nfs/dbraw/zinc/92/31/88/1045923188.db2.gz SFEMMVOTALHAGM-UHFFFAOYSA-N 0 3 333.378 4.059 20 10 EICDHN CCOc1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000769383753 1045941624 /nfs/dbraw/zinc/94/16/24/1045941624.db2.gz IFAFWKMNJMABAJ-UHFFFAOYSA-N 0 3 326.440 4.131 20 10 EICDHN CCOc1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000769383753 1045941613 /nfs/dbraw/zinc/94/16/13/1045941613.db2.gz IFAFWKMNJMABAJ-UHFFFAOYSA-N 0 3 326.440 4.131 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769487405 1045972649 /nfs/dbraw/zinc/97/26/49/1045972649.db2.gz WRPOCLMMVWQWPB-QFIPXVFZSA-N 0 3 337.463 4.452 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769487405 1045972662 /nfs/dbraw/zinc/97/26/62/1045972662.db2.gz WRPOCLMMVWQWPB-QFIPXVFZSA-N 0 3 337.463 4.452 20 10 EICDHN CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(N(C)C)cc1)CCC2 ZINC000769515439 1046006453 /nfs/dbraw/zinc/00/64/53/1046006453.db2.gz SRIMYAUGNFZUFF-KRWDZBQOSA-N 0 3 329.513 4.281 20 10 EICDHN CN(C)c1ccc(CN2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000770281832 1046168003 /nfs/dbraw/zinc/16/80/03/1046168003.db2.gz XECXFKRNBDEBGY-QGZVFWFLSA-N 0 3 328.481 4.052 20 10 EICDHN Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000770312037 1046177053 /nfs/dbraw/zinc/17/70/53/1046177053.db2.gz HQSRMBVRRLQWFZ-NRFANRHFSA-N 0 3 347.462 4.438 20 10 EICDHN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000770312037 1046177057 /nfs/dbraw/zinc/17/70/57/1046177057.db2.gz HQSRMBVRRLQWFZ-NRFANRHFSA-N 0 3 347.462 4.438 20 10 EICDHN CCc1cccc(CNCc2cc(Br)ccc2F)c1O ZINC000691482327 1046187824 /nfs/dbraw/zinc/18/78/24/1046187824.db2.gz JSCWRLKWHDVKDW-UHFFFAOYSA-N 0 3 338.220 4.146 20 10 EICDHN CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000322069787 1046262337 /nfs/dbraw/zinc/26/23/37/1046262337.db2.gz CYXUFCIEXDHVCA-ZOBUZTSGSA-N 0 3 348.487 4.269 20 10 EICDHN [O-]c1ccccc1C[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000785553069 1046709372 /nfs/dbraw/zinc/70/93/72/1046709372.db2.gz BFCKLXKJOPXDHZ-UHFFFAOYSA-N 0 3 339.332 4.372 20 10 EICDHN COc1ccc(C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000785558287 1046711789 /nfs/dbraw/zinc/71/17/89/1046711789.db2.gz DTYZUZWGHLICEP-LBPRGKRZSA-N 0 3 339.357 4.313 20 10 EICDHN Oc1ccccc1CN[C@@H]1CSc2ccc(Br)cc21 ZINC000785572035 1046723102 /nfs/dbraw/zinc/72/31/02/1046723102.db2.gz QHENUQIYXMYVCK-CYBMUJFWSA-N 0 3 336.254 4.091 20 10 EICDHN CCOc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)c([O-])c1 ZINC000786157284 1046812930 /nfs/dbraw/zinc/81/29/30/1046812930.db2.gz IGFKELIIWPIXPE-UHFFFAOYSA-N 0 3 339.357 4.408 20 10 EICDHN C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1cc(F)ccc1[O-] ZINC000788260366 1047146196 /nfs/dbraw/zinc/14/61/96/1047146196.db2.gz ZUJVDLRSCJTSSO-LLVKDONJSA-N 0 3 325.330 4.026 20 10 EICDHN CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131121 1047155006 /nfs/dbraw/zinc/15/50/06/1047155006.db2.gz GOGRYKFUGFLXFD-IAQYHMDHSA-N 0 3 331.287 4.082 20 10 EICDHN CSC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCC1 ZINC000789752408 1047473936 /nfs/dbraw/zinc/47/39/36/1047473936.db2.gz PAAISVGBBKYZGW-UHFFFAOYSA-N 0 3 343.492 4.347 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)c1[O-] ZINC000789778124 1047474263 /nfs/dbraw/zinc/47/42/63/1047474263.db2.gz DMTJAAASSXFXPM-HKUYNNGSSA-N 0 3 333.859 4.202 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1[O-] ZINC000814177762 1047866721 /nfs/dbraw/zinc/86/67/21/1047866721.db2.gz OISKXGAHRIXVOF-DIFFPNOSSA-N 0 3 337.872 4.208 20 10 EICDHN CCOC1(C)CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000814170248 1047873424 /nfs/dbraw/zinc/87/34/24/1047873424.db2.gz SVSQYEWZUBUVGL-UHFFFAOYSA-N 0 3 325.452 4.450 20 10 EICDHN COCc1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])ccc1F ZINC000808694103 1048040564 /nfs/dbraw/zinc/04/05/64/1048040564.db2.gz BDLNCMHBKLXUMJ-LBPRGKRZSA-N 0 3 337.822 4.490 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1[O-] ZINC000808694367 1048041303 /nfs/dbraw/zinc/04/13/03/1048041303.db2.gz FAFBSOHOHHDCLT-MEDUHNTESA-N 0 3 331.847 4.181 20 10 EICDHN COc1ccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1OC ZINC000808671878 1048046095 /nfs/dbraw/zinc/04/60/95/1048046095.db2.gz UNQDWMCHGRITPS-CYBMUJFWSA-N 0 3 349.858 4.265 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1[O-] ZINC000808675192 1048046884 /nfs/dbraw/zinc/04/68/84/1048046884.db2.gz YZOGXWSEHSWVPQ-RYUDHWBXSA-N 0 3 333.815 4.495 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1[O-] ZINC000808673376 1048046969 /nfs/dbraw/zinc/04/69/69/1048046969.db2.gz OBHVEICSYSZBAN-BZNIZROVSA-N 0 3 340.250 4.392 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)NCc2nn(C)c3ccccc23)c1O ZINC000808713067 1048061805 /nfs/dbraw/zinc/06/18/05/1048061805.db2.gz FCKSPCMJSOPNJS-LBPRGKRZSA-N 0 3 329.831 4.092 20 10 EICDHN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808700888 1048080111 /nfs/dbraw/zinc/08/01/11/1048080111.db2.gz MWJANXNSSDAPPZ-IPGIQXSYSA-N 0 3 343.920 4.084 20 10 EICDHN COc1ccc(CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1C ZINC000815149848 1048368844 /nfs/dbraw/zinc/36/88/44/1048368844.db2.gz CTWFKQPWEWJADC-HNNXBMFYSA-N 0 3 339.414 4.179 20 10 EICDHN Cc1cc(Cl)cc(CNCc2c(F)cccc2N2CCCC2)c1O ZINC000809686641 1048473237 /nfs/dbraw/zinc/47/32/37/1048473237.db2.gz GUUBOZZDNUBFJO-UHFFFAOYSA-N 0 3 348.849 4.383 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC000815553326 1048506471 /nfs/dbraw/zinc/50/64/71/1048506471.db2.gz XRJNZONRRAAWBV-GOSISDBHSA-N 0 3 338.495 4.324 20 10 EICDHN C[N@H+](Cc1ccc(O)cc1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809753512 1048517103 /nfs/dbraw/zinc/51/71/03/1048517103.db2.gz VDVCYKYBNSZYEE-UHFFFAOYSA-N 0 3 349.430 4.309 20 10 EICDHN C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809753512 1048517117 /nfs/dbraw/zinc/51/71/17/1048517117.db2.gz VDVCYKYBNSZYEE-UHFFFAOYSA-N 0 3 349.430 4.309 20 10 EICDHN Cc1cc(C)c([C@H](C)NCc2cccc(OC(C)(C)C)n2)c(O)c1 ZINC000815600483 1048532155 /nfs/dbraw/zinc/53/21/55/1048532155.db2.gz UUWPFWBUNBPAEQ-HNNXBMFYSA-N 0 3 328.456 4.432 20 10 EICDHN CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815601018 1048532291 /nfs/dbraw/zinc/53/22/91/1048532291.db2.gz LMNNAPRCWZHPFD-KAGYGMCKSA-N 0 3 339.479 4.471 20 10 EICDHN C[C@H](CO)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815598893 1048533244 /nfs/dbraw/zinc/53/32/44/1048533244.db2.gz FSMQTTSUGMQETB-PXNSSMCTSA-N 0 3 327.468 4.064 20 10 EICDHN CN(C)C1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCC1 ZINC000815618509 1048543643 /nfs/dbraw/zinc/54/36/43/1048543643.db2.gz NGHQVRVFXIZYFY-FQEVSTJZSA-N 0 3 338.495 4.140 20 10 EICDHN COc1cccc(C2(C[NH2+][C@@H](C)c3c(C)cc(C)cc3[O-])CC2)c1 ZINC000815626622 1048551957 /nfs/dbraw/zinc/55/19/57/1048551957.db2.gz IMVOFYUKVTXZJY-INIZCTEOSA-N 0 3 325.452 4.400 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227898 1048696561 /nfs/dbraw/zinc/69/65/61/1048696561.db2.gz MHJNMXUDSLDHMO-ZIAGYGMSSA-N 0 3 339.361 4.252 20 10 EICDHN CC[C@]1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000810242578 1048725267 /nfs/dbraw/zinc/72/52/67/1048725267.db2.gz DXUWTSQGWJEGCR-VBKZILBWSA-N 0 3 329.415 4.060 20 10 EICDHN CC1CCN(c2ccc(CNCc3cc4cnccc4o3)cc2)CC1 ZINC000845940626 1048769435 /nfs/dbraw/zinc/76/94/35/1048769435.db2.gz PZSLXMBGQXOONY-UHFFFAOYSA-N 0 3 335.451 4.354 20 10 EICDHN Cc1cc(Cl)cc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1O ZINC000846013894 1048784889 /nfs/dbraw/zinc/78/48/89/1048784889.db2.gz DHEOCSHPYRZVMF-UHFFFAOYSA-N 0 3 337.744 4.220 20 10 EICDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1[O-] ZINC000846013894 1048784900 /nfs/dbraw/zinc/78/49/00/1048784900.db2.gz DHEOCSHPYRZVMF-UHFFFAOYSA-N 0 3 337.744 4.220 20 10 EICDHN CCOc1ccc(O)c(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846052164 1048807152 /nfs/dbraw/zinc/80/71/52/1048807152.db2.gz LVLXRIDWWZSIKM-KRWDZBQOSA-N 0 3 345.414 4.322 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118558 1048815162 /nfs/dbraw/zinc/81/51/62/1048815162.db2.gz XMGJCDLEVSJBMP-IBGZPJMESA-N 0 3 345.389 4.202 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118558 1048815167 /nfs/dbraw/zinc/81/51/67/1048815167.db2.gz XMGJCDLEVSJBMP-IBGZPJMESA-N 0 3 345.389 4.202 20 10 EICDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846120745 1048817104 /nfs/dbraw/zinc/81/71/04/1048817104.db2.gz TVZZMKUYYAKEOG-IHPCNDPISA-N 0 3 327.399 4.026 20 10 EICDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846120745 1048817106 /nfs/dbraw/zinc/81/71/06/1048817106.db2.gz TVZZMKUYYAKEOG-IHPCNDPISA-N 0 3 327.399 4.026 20 10 EICDHN CCCN(CCC)c1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000920954252 1048820428 /nfs/dbraw/zinc/82/04/28/1048820428.db2.gz KLBVKYAZKXCICM-UHFFFAOYSA-N 0 3 340.467 4.332 20 10 EICDHN CCOc1cc(Cl)ccc1CN[C@H](C)c1cccc(OC)c1O ZINC000846157361 1048824257 /nfs/dbraw/zinc/82/42/57/1048824257.db2.gz LFGQSQYDLUVMAH-GFCCVEGCSA-N 0 3 335.831 4.304 20 10 EICDHN [O-]c1cc(F)c(Cl)cc1CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000816528541 1048824723 /nfs/dbraw/zinc/82/47/23/1048824723.db2.gz HOWOUDDNJGMNHX-GOSISDBHSA-N 0 3 348.849 4.111 20 10 EICDHN COc1cccc([C@@H](C)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846204375 1048833181 /nfs/dbraw/zinc/83/31/81/1048833181.db2.gz ZSOGLYXLTOEMQE-WBMJQRKESA-N 0 3 345.414 4.493 20 10 EICDHN CC[C@@H](N[C@H](Cc1ccccc1)c1nccn1C)c1ccc(C)cc1O ZINC000846206704 1048833384 /nfs/dbraw/zinc/83/33/84/1048833384.db2.gz GHSJPOMLHHLCQC-WOJBJXKFSA-N 0 3 349.478 4.459 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)N[C@@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846181921 1048835240 /nfs/dbraw/zinc/83/52/40/1048835240.db2.gz FXFDULFRWRPFIT-NVGCLXPQSA-N 0 3 337.822 4.266 20 10 EICDHN CCN(CC)c1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1F ZINC000816657719 1048850059 /nfs/dbraw/zinc/85/00/59/1048850059.db2.gz YESUKUZHPFLDEF-HXUWFJFHSA-N 0 3 346.490 4.063 20 10 EICDHN CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000817415718 1048967010 /nfs/dbraw/zinc/96/70/10/1048967010.db2.gz XIKZKNBOJMHBSS-OALUTQOASA-N 0 3 341.451 4.018 20 10 EICDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170885325 1049083387 /nfs/dbraw/zinc/08/33/87/1049083387.db2.gz MBNRJUBYYDXZPN-QGZVFWFLSA-N 0 3 346.268 4.144 20 10 EICDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170885325 1049083403 /nfs/dbraw/zinc/08/34/03/1049083403.db2.gz MBNRJUBYYDXZPN-QGZVFWFLSA-N 0 3 346.268 4.144 20 10 EICDHN CCN(CC)c1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811519454 1049107716 /nfs/dbraw/zinc/10/77/16/1049107716.db2.gz XWTNQVGETYERRW-PMACEKPBSA-N 0 3 328.500 4.066 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1[O-] ZINC000811513702 1049128579 /nfs/dbraw/zinc/12/85/79/1049128579.db2.gz MPEZPUXENCAJLC-MSOLQXFVSA-N 0 3 331.843 4.364 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)c1ccccc1[O-] ZINC000282797404 1049463366 /nfs/dbraw/zinc/46/33/66/1049463366.db2.gz QPKHADOTPFOCHC-XHDPSFHLSA-N 0 3 348.240 4.329 20 10 EICDHN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773107934 1049583308 /nfs/dbraw/zinc/58/33/08/1049583308.db2.gz RKGLNTKMDZLTRG-GDBMZVCRSA-N 0 3 344.421 4.031 20 10 EICDHN Cc1cnccc1OC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000773335924 1049750599 /nfs/dbraw/zinc/75/05/99/1049750599.db2.gz RZDHTHLDUFGWIK-UHFFFAOYSA-N 0 3 348.446 4.292 20 10 EICDHN CCC(CC)(C[NH2+]Cc1ccccc1[O-])c1ccc(OC)c(OC)c1 ZINC000763471168 1049786404 /nfs/dbraw/zinc/78/64/04/1049786404.db2.gz DUTZCRLXQGCOEL-UHFFFAOYSA-N 0 3 343.467 4.257 20 10 EICDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC000179902033 1049787017 /nfs/dbraw/zinc/78/70/17/1049787017.db2.gz ZTAFPDQQAJRLFR-QLJPJBMISA-N 0 3 326.223 4.083 20 10 EICDHN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccccc1[O-] ZINC000179889394 1049792651 /nfs/dbraw/zinc/79/26/51/1049792651.db2.gz NEPVWQRDAABQFH-BDJLRTHQSA-N 0 3 332.241 4.493 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)c2c1c(F)ccc2[O-] ZINC000813883501 1049831768 /nfs/dbraw/zinc/83/17/68/1049831768.db2.gz OEEGXYSDPAMCIK-WWGRRREGSA-N 0 3 344.405 4.087 20 10 EICDHN [O-]c1ccccc1C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000238111157 1049881231 /nfs/dbraw/zinc/88/12/31/1049881231.db2.gz JVKXFRHZRRMEIS-LJQANCHMSA-N 0 3 337.394 4.441 20 10 EICDHN C[C@@H](Cc1ccc(F)cc1Cl)N1CCCc2cc(O)c(O)cc2C1 ZINC001172873605 1050212674 /nfs/dbraw/zinc/21/26/74/1050212674.db2.gz VLUYWKUTOOXRDI-LBPRGKRZSA-N 0 3 349.833 4.270 20 10 EICDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC001177483283 1050223258 /nfs/dbraw/zinc/22/32/58/1050223258.db2.gz LJOWZHASXHETTM-HQMUEHRGSA-N 0 3 340.442 4.408 20 10 EICDHN CN(C)c1ccc(/C=C/CNCc2ccc(OC(C)(C)C)nc2)cc1 ZINC001178346791 1050440795 /nfs/dbraw/zinc/44/07/95/1050440795.db2.gz NFOHRAQLCUGBGX-VOTSOKGWSA-N 0 3 339.483 4.128 20 10 EICDHN C[C@@H]([NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1[O-] ZINC001173674849 1050524892 /nfs/dbraw/zinc/52/48/92/1050524892.db2.gz HAXROWKWBGMVQT-RBSFLKMASA-N 0 3 348.487 4.219 20 10 EICDHN CCN(C)c1ccc(CN2CC(c3nc4ccccc4s3)C2)cc1 ZINC000773815676 1050722954 /nfs/dbraw/zinc/72/29/54/1050722954.db2.gz JIMRBUKGOLFCNC-UHFFFAOYSA-N 0 3 337.492 4.352 20 10 EICDHN Cc1c2ccccc2n(C)c1CN[C@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001179788748 1050777951 /nfs/dbraw/zinc/77/79/51/1050777951.db2.gz DOJUKMOJNSBEFK-MWTRTKDXSA-N 0 3 348.490 4.361 20 10 EICDHN COc1ccc(O)c(CNCc2ccc(C)cc2OC(C)(C)C)c1 ZINC000182631464 1050779205 /nfs/dbraw/zinc/77/92/05/1050779205.db2.gz CSRSSBCSPDJWBJ-UHFFFAOYSA-N 0 3 329.440 4.176 20 10 EICDHN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180029653 1050857029 /nfs/dbraw/zinc/85/70/29/1050857029.db2.gz DLXYZLCNKWAMSQ-JKSUJKDBSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180029653 1050857031 /nfs/dbraw/zinc/85/70/31/1050857031.db2.gz DLXYZLCNKWAMSQ-JKSUJKDBSA-N 0 3 336.907 4.132 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2cnccc21)C[C@H]1CCCO1 ZINC000182960303 1050912799 /nfs/dbraw/zinc/91/27/99/1050912799.db2.gz FKAQSVVLWOIMGZ-HXUWFJFHSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc2cnccc21)C[C@H]1CCCO1 ZINC000182960303 1050912809 /nfs/dbraw/zinc/91/28/09/1050912809.db2.gz FKAQSVVLWOIMGZ-HXUWFJFHSA-N 0 3 348.446 4.122 20 10 EICDHN C[C@H](NCc1cnc(-c2ccccn2)s1)c1ccc(N(C)C)cc1 ZINC000775362058 1051128286 /nfs/dbraw/zinc/12/82/86/1051128286.db2.gz HHJUOSBOLBFSGM-AWEZNQCLSA-N 0 3 338.480 4.122 20 10 EICDHN COc1ccccc1SC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183595114 1051176932 /nfs/dbraw/zinc/17/69/32/1051176932.db2.gz AGVLLJFKRPIZSF-GJZGRUSLSA-N 0 3 331.481 4.480 20 10 EICDHN COc1cccc(CN[C@H](C)c2ccc(-c3ccccc3)cn2)c1O ZINC001181485024 1051244660 /nfs/dbraw/zinc/24/46/60/1051244660.db2.gz HHPKZENRXZZCGL-OAHLLOKOSA-N 0 3 334.419 4.314 20 10 EICDHN FC[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321000 1051396908 /nfs/dbraw/zinc/39/69/08/1051396908.db2.gz CBQNOQLXNWAOMO-INIZCTEOSA-N 0 3 330.369 4.011 20 10 EICDHN CCOc1ccc(CC[NH2+][C@@H](CC)c2ccccc2[O-])cc1OCC ZINC000775483105 1051550718 /nfs/dbraw/zinc/55/07/18/1051550718.db2.gz KWLRISRYANBVFG-SFHVURJKSA-N 0 3 343.467 4.473 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)c1ccccc1[O-] ZINC000775493274 1051591030 /nfs/dbraw/zinc/59/10/30/1051591030.db2.gz WWXNHDKHICSQSP-KRWDZBQOSA-N 0 3 329.440 4.429 20 10 EICDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000774482090 1051610764 /nfs/dbraw/zinc/61/07/64/1051610764.db2.gz FPNKOHHLIDJEAC-ZIAGYGMSSA-N 0 3 345.874 4.084 20 10 EICDHN Cc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000774484077 1051610837 /nfs/dbraw/zinc/61/08/37/1051610837.db2.gz OBPCFLGWYJBMSM-DLBZAZTESA-N 0 3 339.483 4.047 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCCc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001192011429 1051611821 /nfs/dbraw/zinc/61/18/21/1051611821.db2.gz CASXMLPIFCJBSE-FQEVSTJZSA-N 0 3 343.442 4.145 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCCc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001192011429 1051611833 /nfs/dbraw/zinc/61/18/33/1051611833.db2.gz CASXMLPIFCJBSE-FQEVSTJZSA-N 0 3 343.442 4.145 20 10 EICDHN Cc1cccc(C)c1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774485389 1051614502 /nfs/dbraw/zinc/61/45/02/1051614502.db2.gz UXBYBGQHPMBMHL-DLBZAZTESA-N 0 3 339.483 4.047 20 10 EICDHN CC[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccccc1[O-] ZINC000775508664 1051639474 /nfs/dbraw/zinc/63/94/74/1051639474.db2.gz DWQBFKOXLCQBCX-CQSZACIVSA-N 0 3 340.254 4.247 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccccc1[O-] ZINC000775513471 1051651192 /nfs/dbraw/zinc/65/11/92/1051651192.db2.gz ZNCGBWUCOMVRAC-MAUKXSAKSA-N 0 3 330.859 4.365 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccccc1[O-] ZINC000775513475 1051651845 /nfs/dbraw/zinc/65/18/45/1051651845.db2.gz ZNCGBWUCOMVRAC-YJBOKZPZSA-N 0 3 330.859 4.365 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)c1[O-] ZINC001182755013 1051686698 /nfs/dbraw/zinc/68/66/98/1051686698.db2.gz PHVJCRHNPCBOPF-LJQANCHMSA-N 0 3 349.833 4.357 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)c1[O-] ZINC001182755013 1051686701 /nfs/dbraw/zinc/68/67/01/1051686701.db2.gz PHVJCRHNPCBOPF-LJQANCHMSA-N 0 3 349.833 4.357 20 10 EICDHN CC[C@@H]([NH2+]CCCc1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000775526252 1051712802 /nfs/dbraw/zinc/71/28/02/1051712802.db2.gz POSUDLOPNSASNF-GOSISDBHSA-N 0 3 329.440 4.083 20 10 EICDHN CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000775526888 1051713843 /nfs/dbraw/zinc/71/38/43/1051713843.db2.gz MZOWAUXFMZUHLJ-GOSISDBHSA-N 0 3 328.412 4.364 20 10 EICDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775580495 1051885535 /nfs/dbraw/zinc/88/55/35/1051885535.db2.gz CHIOZNQTSOEEIH-LSDHHAIUSA-N 0 3 327.428 4.381 20 10 EICDHN COc1ccc(Nc2ncc[nH]2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC001176082529 1051889275 /nfs/dbraw/zinc/88/92/75/1051889275.db2.gz ASCFDZLPVFPQRO-UHFFFAOYSA-N 0 3 327.771 4.046 20 10 EICDHN Cc1cc(CN2CC(C)(C)OC(C)(C)C2)ccc1N1CCCCC1 ZINC001193472231 1051928861 /nfs/dbraw/zinc/92/88/61/1051928861.db2.gz FQNKVQKAFSOFPG-UHFFFAOYSA-N 0 3 330.516 4.375 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]CC[C@H]2CCC(F)(F)C2)c1[O-] ZINC001184238968 1051976495 /nfs/dbraw/zinc/97/64/95/1051976495.db2.gz IAXOQMOCNKFYMB-LLVKDONJSA-N 0 3 348.231 4.378 20 10 EICDHN C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cccc(Cl)c2[O-])CC1 ZINC001184265623 1051981373 /nfs/dbraw/zinc/98/13/73/1051981373.db2.gz UCLIDKRZJGETFW-KDOFPFPSSA-N 0 3 336.907 4.178 20 10 EICDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](Cc1ccccc1)OC ZINC001193838984 1051996551 /nfs/dbraw/zinc/99/65/51/1051996551.db2.gz OKHFJUKLPQEQEJ-FQEVSTJZSA-N 0 3 327.468 4.252 20 10 EICDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](Cc1ccccc1)OC ZINC001193838984 1051996558 /nfs/dbraw/zinc/99/65/58/1051996558.db2.gz OKHFJUKLPQEQEJ-FQEVSTJZSA-N 0 3 327.468 4.252 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccccc3C)CC2)c([O-])c1 ZINC000185053269 1052379915 /nfs/dbraw/zinc/37/99/15/1052379915.db2.gz PKUMJECEPFLRQV-GOSISDBHSA-N 0 3 338.495 4.324 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c([O-])c1 ZINC000185062621 1052388830 /nfs/dbraw/zinc/38/88/30/1052388830.db2.gz WOGKNEQWQBAMQX-MRXNPFEDSA-N 0 3 342.508 4.105 20 10 EICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000185124049 1052446383 /nfs/dbraw/zinc/44/63/83/1052446383.db2.gz DWQPLVOJNDRLFA-MRXNPFEDSA-N 0 3 343.442 4.239 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000185160654 1052495822 /nfs/dbraw/zinc/49/58/22/1052495822.db2.gz GPLDDEVQKGTXAB-GJZGRUSLSA-N 0 3 340.423 4.069 20 10 EICDHN C[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1cc(F)ccc1[O-] ZINC000185721691 1052685928 /nfs/dbraw/zinc/68/59/28/1052685928.db2.gz VMPZDBZBJWEGEC-BZNIZROVSA-N 0 3 331.412 4.130 20 10 EICDHN Cc1cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862767 1053127974 /nfs/dbraw/zinc/12/79/74/1053127974.db2.gz DYUZZHVSFNAZIM-RTWAWAEBSA-N 0 3 342.527 4.375 20 10 EICDHN CCCN(CCC)c1ccc(CNCc2c(C3CC3)cnn2C)cc1 ZINC000850380411 1053151506 /nfs/dbraw/zinc/15/15/06/1053151506.db2.gz VATWKOVMDZAQNJ-UHFFFAOYSA-N 0 3 340.515 4.214 20 10 EICDHN C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000850504807 1053263310 /nfs/dbraw/zinc/26/33/10/1053263310.db2.gz FQDDRJJHSXFVAR-BONVTDFDSA-N 0 3 335.341 4.072 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850523278 1053282084 /nfs/dbraw/zinc/28/20/84/1053282084.db2.gz FCYFXQBBUKGZMX-UYAOXDASSA-N 0 3 337.463 4.367 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794794795 1053380236 /nfs/dbraw/zinc/38/02/36/1053380236.db2.gz GFPGWZGWBRPVTB-RBUKOAKNSA-N 0 3 330.447 4.183 20 10 EICDHN CC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(C)cc1[O-] ZINC000794799048 1053384655 /nfs/dbraw/zinc/38/46/55/1053384655.db2.gz YFJXQQFMVBKMRB-FQEVSTJZSA-N 0 3 335.451 4.186 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1ccco1)N(CC)CC)c1ccc(C)cc1[O-] ZINC000794802399 1053384893 /nfs/dbraw/zinc/38/48/93/1053384893.db2.gz FCJCSNHAUOIYGV-ZWKOTPCHSA-N 0 3 330.472 4.417 20 10 EICDHN CC[C@H]([NH2+]CCc1cc(OC)ccc1OC)c1ccc(C)cc1[O-] ZINC000794806706 1053404208 /nfs/dbraw/zinc/40/42/08/1053404208.db2.gz VMEPKHMBMCCBQQ-SFHVURJKSA-N 0 3 329.440 4.001 20 10 EICDHN CC[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(C)cc1[O-] ZINC000794813315 1053419390 /nfs/dbraw/zinc/41/93/90/1053419390.db2.gz CEUGHAHDGABFPT-INIZCTEOSA-N 0 3 341.430 4.010 20 10 EICDHN CC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794808832 1053419563 /nfs/dbraw/zinc/41/95/63/1053419563.db2.gz CLQIGUHFRXUVED-OAHLLOKOSA-N 0 3 336.476 4.045 20 10 EICDHN CC[C@H]([NH2+]CCN(CC)CCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000794813803 1053422431 /nfs/dbraw/zinc/42/24/31/1053422431.db2.gz JVKIMONSOLOJRS-HNNXBMFYSA-N 0 3 332.410 4.016 20 10 EICDHN COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000794824631 1053430618 /nfs/dbraw/zinc/43/06/18/1053430618.db2.gz KTCNGOOSMJLYJW-HKUYNNGSSA-N 0 3 327.468 4.389 20 10 EICDHN CC[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000794818560 1053431988 /nfs/dbraw/zinc/43/19/88/1053431988.db2.gz UAWXMYAWJUIYTP-QUCCMNQESA-N 0 3 325.452 4.255 20 10 EICDHN Cc1nc(C)c([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000765256882 1053483963 /nfs/dbraw/zinc/48/39/63/1053483963.db2.gz YUEMEFSVGBCCCA-ZIAGYGMSSA-N 0 3 345.512 4.008 20 10 EICDHN COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775712501 1053648067 /nfs/dbraw/zinc/64/80/67/1053648067.db2.gz CQCHJTDYMGVYMW-CQSZACIVSA-N 0 3 331.843 4.352 20 10 EICDHN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775712501 1053648072 /nfs/dbraw/zinc/64/80/72/1053648072.db2.gz CQCHJTDYMGVYMW-CQSZACIVSA-N 0 3 331.843 4.352 20 10 EICDHN CCn1nccc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000853239342 1053655690 /nfs/dbraw/zinc/65/56/90/1053655690.db2.gz FVMAWGUJHFJSBV-HXUWFJFHSA-N 0 3 335.451 4.072 20 10 EICDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853242353 1053657265 /nfs/dbraw/zinc/65/72/65/1053657265.db2.gz PMUKZNYNYWAPIT-MAUKXSAKSA-N 0 3 333.435 4.224 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(OC)c1OC ZINC000866506976 1053756144 /nfs/dbraw/zinc/75/61/44/1053756144.db2.gz AFXZZVQBBVEHLP-HOTGVXAUSA-N 0 3 327.424 4.138 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(OC)c1OC ZINC000866508833 1053758425 /nfs/dbraw/zinc/75/84/25/1053758425.db2.gz SBCOIAMUAMXBOZ-BLLLJJGKSA-N 0 3 333.403 4.350 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1cc(F)ccc1[O-] ZINC000866542073 1053778957 /nfs/dbraw/zinc/77/89/57/1053778957.db2.gz WFYORXZGOYAQRR-VIFPVBQESA-N 0 3 329.293 4.123 20 10 EICDHN C[C@@H](N[C@H]1CCCn2nccc21)c1ccc(N2CCCCCC2)cc1 ZINC000866632083 1053811241 /nfs/dbraw/zinc/81/12/41/1053811241.db2.gz HUKDEFSPWJIZIK-XLIONFOSSA-N 0 3 338.499 4.449 20 10 EICDHN Cc1cc(C)c([C@@H](C)NCc2nc(-c3ccncc3)cs2)c(O)c1 ZINC000872122771 1054402696 /nfs/dbraw/zinc/40/26/96/1054402696.db2.gz ZJMORAFOQOCOBO-CQSZACIVSA-N 0 3 339.464 4.378 20 10 EICDHN COc1c(Cl)cc(Cl)cc1CNCc1cc(C)ccc1O ZINC000858238094 1054443541 /nfs/dbraw/zinc/44/35/41/1054443541.db2.gz UJJVURMBNGKUHN-UHFFFAOYSA-N 0 3 326.223 4.306 20 10 EICDHN Cc1ccc(O)c(CNCc2c(Cl)cccc2N2CCCC2)c1 ZINC000858239497 1054444471 /nfs/dbraw/zinc/44/44/71/1054444471.db2.gz OHBSWRQDYKELCM-UHFFFAOYSA-N 0 3 330.859 4.244 20 10 EICDHN CO[C@H]1C[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000858593294 1054528646 /nfs/dbraw/zinc/52/86/46/1054528646.db2.gz ZALHUAIOBZVJAK-WSTZPKSXSA-N 0 3 325.452 4.081 20 10 EICDHN CN(C)c1ccc(/C=C/CN[C@H]2CCCOc3c(F)cccc32)cc1 ZINC001201742648 1054892983 /nfs/dbraw/zinc/89/29/83/1054892983.db2.gz RUTKYMQSUUJPMQ-XXIDSNJLSA-N 0 3 340.442 4.408 20 10 EICDHN CCCn1ccnc1CCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825928473 1054998442 /nfs/dbraw/zinc/99/84/42/1054998442.db2.gz WNXGHFFAOXXGPT-UHFFFAOYSA-N 0 3 335.879 4.025 20 10 EICDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825928473 1054998458 /nfs/dbraw/zinc/99/84/58/1054998458.db2.gz WNXGHFFAOXXGPT-UHFFFAOYSA-N 0 3 335.879 4.025 20 10 EICDHN CCN(C)c1ccc([C@H](C)NCc2ccc(OC)cc2OC)cc1 ZINC000118952301 1055070915 /nfs/dbraw/zinc/07/09/15/1055070915.db2.gz KEJVRZCQODOYDU-HNNXBMFYSA-N 0 3 328.456 4.011 20 10 EICDHN COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000776255724 1055086349 /nfs/dbraw/zinc/08/63/49/1055086349.db2.gz HKQPFCVYJWIGSK-BFUOFWGJSA-N 0 3 349.858 4.228 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)c1ccccc1[O-] ZINC000877757389 1055113666 /nfs/dbraw/zinc/11/36/66/1055113666.db2.gz WUTVCBMJDWKCRL-JTQLQIEISA-N 0 3 327.758 4.498 20 10 EICDHN C[C@@H]([NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000877757871 1055115559 /nfs/dbraw/zinc/11/55/59/1055115559.db2.gz XLQYOWFZQOVCRA-HGHGUNKESA-N 0 3 336.479 4.411 20 10 EICDHN Cc1cc(O)c(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1C ZINC000742165265 1058524487 /nfs/dbraw/zinc/52/44/87/1058524487.db2.gz JEJQHBXMIRSBRP-LAUBAEHRSA-N 0 3 325.452 4.279 20 10 EICDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000743870307 1059189351 /nfs/dbraw/zinc/18/93/51/1059189351.db2.gz POLDRZKTBYWYDH-QGZVFWFLSA-N 0 3 340.467 4.248 20 10 EICDHN CC(C)C[C@@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000744448571 1059525707 /nfs/dbraw/zinc/52/57/07/1059525707.db2.gz UTAFXWFRYNISBN-QGZVFWFLSA-N 0 3 327.468 4.194 20 10 EICDHN C[C@H](NCc1cccc(O)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154400227 1019756309 /nfs/dbraw/zinc/75/63/09/1019756309.db2.gz LKINDUJTKFKRNT-HNNXBMFYSA-N 0 3 328.431 4.372 20 10 EICDHN Cc1ccc([C@H](C)NCc2nc3cc(Cl)ccc3n2C)c(O)c1 ZINC000275093356 1020134337 /nfs/dbraw/zinc/13/43/37/1020134337.db2.gz ALMYRDBIALVDAK-LBPRGKRZSA-N 0 3 329.831 4.092 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1[O-] ZINC000155039557 1020200902 /nfs/dbraw/zinc/20/09/02/1020200902.db2.gz HREFDLPGZMKKEC-IBGZPJMESA-N 0 3 340.467 4.115 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccccc1[O-] ZINC000155169994 1020308301 /nfs/dbraw/zinc/30/83/01/1020308301.db2.gz LTGMBRORHUFCMT-CJNGLKHVSA-N 0 3 345.439 4.220 20 10 EICDHN CC[C@H](NCc1nc2cccc(Cl)c2n1C)c1ccc(C)cc1O ZINC000279942843 1033011844 /nfs/dbraw/zinc/01/18/44/1033011844.db2.gz BHDXNHKGPXWYET-HNNXBMFYSA-N 0 3 343.858 4.482 20 10 EICDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)c1cnn(C)c1 ZINC000163895642 1022420125 /nfs/dbraw/zinc/42/01/25/1022420125.db2.gz OBEOXUMCFHFGLW-IRXDYDNUSA-N 0 3 326.488 4.212 20 10 EICDHN CC[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000180716233 1022804450 /nfs/dbraw/zinc/80/44/50/1022804450.db2.gz FNWYHEWQUQQOLR-MOPGFXCFSA-N 0 3 328.431 4.456 20 10 EICDHN CCOc1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])cc1OCC ZINC000183381186 1022862230 /nfs/dbraw/zinc/86/22/30/1022862230.db2.gz MPUSSRHRUHEMLB-OAHLLOKOSA-N 0 3 329.440 4.083 20 10 EICDHN [O-]c1ccccc1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000228406545 1022862346 /nfs/dbraw/zinc/86/23/46/1022862346.db2.gz BACIONMIIDZHOV-UHFFFAOYSA-N 0 3 332.241 4.191 20 10 EICDHN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])n(-c2ccccc2)n1 ZINC000183624312 1022871462 /nfs/dbraw/zinc/87/14/62/1022871462.db2.gz XCAPKCWZEDXPKY-NVXWUHKLSA-N 0 3 335.451 4.168 20 10 EICDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)c1 ZINC000185126633 1023009253 /nfs/dbraw/zinc/00/92/53/1023009253.db2.gz CHSCMHQSRIRWKU-SFHVURJKSA-N 0 3 339.479 4.408 20 10 EICDHN C[C@@H](NCc1ccc(OC2CCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000162624642 1023624577 /nfs/dbraw/zinc/62/45/77/1023624577.db2.gz HNXFGGLYXRZESE-MRXNPFEDSA-N 0 3 339.483 4.320 20 10 EICDHN CCN(Cc1ccc(Cl)s1)Cc1ccc(OC)c(OC)c1O ZINC000891498606 1023710239 /nfs/dbraw/zinc/71/02/39/1023710239.db2.gz JXLBUAQODVHZRU-UHFFFAOYSA-N 0 3 341.860 4.146 20 10 EICDHN CC[C@@H]([NH2+][C@@H](Cc1nc(C)no1)c1ccccc1)c1ccccc1[O-] ZINC000277197658 1025323581 /nfs/dbraw/zinc/32/35/81/1025323581.db2.gz VKFRMXJPGCWTOP-MSOLQXFVSA-N 0 3 337.423 4.108 20 10 EICDHN Cc1ncc([C@H](C)NCc2ccc(N3CCC(C)CC3)cc2)c(C)n1 ZINC000157501006 1025871777 /nfs/dbraw/zinc/87/17/77/1025871777.db2.gz DZIYCNBDLUNOPV-INIZCTEOSA-N 0 3 338.499 4.181 20 10 EICDHN OCC1([C@H](NCc2ccc3c(c2)CCCO3)c2cccs2)CCC1 ZINC000894788522 1026442126 /nfs/dbraw/zinc/44/21/26/1026442126.db2.gz RFPQTAAGRDMJQT-LJQANCHMSA-N 0 3 343.492 4.067 20 10 EICDHN Cc1ccc(O)c(CN[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000113326861 1026782290 /nfs/dbraw/zinc/78/22/90/1026782290.db2.gz YUWQXUBWAZQYLB-OAHLLOKOSA-N 0 3 348.240 4.077 20 10 EICDHN COc1ccc(N2CCCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000108092332 1026786891 /nfs/dbraw/zinc/78/68/91/1026786891.db2.gz BNIDMTLXIPUTEV-UHFFFAOYSA-N 0 3 330.859 4.061 20 10 EICDHN C[C@@H]([NH2+]Cc1sccc1Br)c1cc(F)ccc1[O-] ZINC000148056131 1027892099 /nfs/dbraw/zinc/89/20/99/1027892099.db2.gz UPWGHKPBCHGISM-MRVPVSSYSA-N 0 3 330.222 4.206 20 10 EICDHN C[C@@H](NCc1sccc1Br)c1cc(F)ccc1O ZINC000148056131 1027892102 /nfs/dbraw/zinc/89/21/02/1027892102.db2.gz UPWGHKPBCHGISM-MRVPVSSYSA-N 0 3 330.222 4.206 20 10 EICDHN Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185676146 1030215895 /nfs/dbraw/zinc/21/58/95/1030215895.db2.gz SLXUHVBPFLQPEW-UONOGXRCSA-N 0 3 339.414 4.437 20 10 EICDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1nc(-c2ccccc2)no1 ZINC000186192735 1030257773 /nfs/dbraw/zinc/25/77/73/1030257773.db2.gz LMZHNKUPTMKSHJ-STQMWFEESA-N 0 3 341.386 4.036 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1[O-] ZINC000280045995 1035144910 /nfs/dbraw/zinc/14/49/10/1035144910.db2.gz JFPWVITWVGGWHN-LJQANCHMSA-N 0 3 338.451 4.068 20 10 EICDHN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000163639150 1035650045 /nfs/dbraw/zinc/65/00/45/1035650045.db2.gz WEAKCTVFOOTOHU-SJORKVTESA-N 0 3 345.531 4.021 20 10 EICDHN CCOc1cc(CN[C@@H](C)c2ccc(N(C)CC)cc2)ccc1OC ZINC000168796880 1035746731 /nfs/dbraw/zinc/74/67/31/1035746731.db2.gz YNJSGCNSYGLADP-INIZCTEOSA-N 0 3 342.483 4.401 20 10 EICDHN Cc1cc(O)c(CN(C)Cc2csc(Br)c2)cc1C ZINC000060112595 1035859944 /nfs/dbraw/zinc/85/99/44/1035859944.db2.gz OIYHXMYJAQXDRX-UHFFFAOYSA-N 0 3 340.286 4.465 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccccc1[O-] ZINC000156342013 1035892473 /nfs/dbraw/zinc/89/24/73/1035892473.db2.gz OLEVVDHZMUEWQL-RDJZCZTQSA-N 0 3 327.449 4.381 20 10 EICDHN C[C@@H](NC1(c2ccccc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271962868 1037065653 /nfs/dbraw/zinc/06/56/53/1037065653.db2.gz GQCSVXVEXHSKHV-MRXNPFEDSA-N 0 3 340.442 4.002 20 10 EICDHN COC[C@@H](N[C@@H](C)c1ccc(C)c(C)c1O)c1ccc(F)c(F)c1 ZINC000273349417 1037427070 /nfs/dbraw/zinc/42/70/70/1037427070.db2.gz BIHZLTULDDPPIW-SCLBCKFNSA-N 0 3 335.394 4.326 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)c([O-])c1 ZINC000273534500 1037497820 /nfs/dbraw/zinc/49/78/20/1037497820.db2.gz XATIANDAJYYQMP-CQSZACIVSA-N 0 3 339.464 4.112 20 10 EICDHN Fc1ccc2c(c1)[C@H](NCc1ccc(N3CCSCC3)cc1)CC2 ZINC000163611617 1038003492 /nfs/dbraw/zinc/00/34/92/1038003492.db2.gz FVXYMULWSGDDJA-HXUWFJFHSA-N 0 3 342.483 4.156 20 10 EICDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1 ZINC000173331297 1038255359 /nfs/dbraw/zinc/25/53/59/1038255359.db2.gz PDNDAIRDXSTWEY-AWEZNQCLSA-N 0 3 348.462 4.369 20 10 EICDHN FC(F)(F)c1cc(CNCc2ccc(N3CCCCC3)cc2)ccn1 ZINC000295104784 1042435242 /nfs/dbraw/zinc/43/52/42/1042435242.db2.gz UCFBAVWKWHOWSH-UHFFFAOYSA-N 0 3 349.400 4.381 20 10 EICDHN CCCN(Cc1cnc(-c2ccccc2)nc1)Cc1ccccc1O ZINC000727831312 1043312728 /nfs/dbraw/zinc/31/27/28/1043312728.db2.gz VOVIKCOPYYKSAC-UHFFFAOYSA-N 0 3 333.435 4.261 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCOc3cc(OC)ccc32)cc1 ZINC000766188536 1043391259 /nfs/dbraw/zinc/39/12/59/1043391259.db2.gz RLNPTSPVNPSMFY-MGPUTAFESA-N 0 3 340.467 4.326 20 10 EICDHN CC(C)COc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000730107062 1043445289 /nfs/dbraw/zinc/44/52/89/1043445289.db2.gz VRALRIIPSFAEHS-UHFFFAOYSA-N 0 3 330.447 4.216 20 10 EICDHN CC[C@H]([NH2+]C[C@@](C)(COCc1ccccc1)OC)c1ccccc1[O-] ZINC000702796018 1044005330 /nfs/dbraw/zinc/00/53/30/1044005330.db2.gz MBQWKQIDGAWTKV-FPOVZHCZSA-N 0 3 343.467 4.055 20 10 EICDHN Cc1[nH]c2ccc(CNCc3ccc(N(C)C)c(F)c3)cc2c1C ZINC000733325871 1044189659 /nfs/dbraw/zinc/18/96/59/1044189659.db2.gz VHTSEHOBHUAYAE-UHFFFAOYSA-N 0 3 325.431 4.280 20 10 EICDHN Cc1nn(C)c(Cl)c1CN(Cc1ccccc1O)C1CCCCC1 ZINC000733613223 1044268634 /nfs/dbraw/zinc/26/86/34/1044268634.db2.gz FQGBRARHYZFFDI-UHFFFAOYSA-N 0 3 347.890 4.422 20 10 EICDHN COc1cc(CN[C@H]2CCCc3cccnc32)c(O)c(C(C)(C)C)c1 ZINC000922884867 1045047749 /nfs/dbraw/zinc/04/77/49/1045047749.db2.gz GHLHYFUQWAXDIY-SFHVURJKSA-N 0 3 340.467 4.261 20 10 EICDHN C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(N2CCCCC2)cc1 ZINC000282412584 1045089733 /nfs/dbraw/zinc/08/97/33/1045089733.db2.gz LFEQJKYGJSHJSM-JXFKEZNVSA-N 0 3 338.499 4.139 20 10 EICDHN CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000186698903 1045138677 /nfs/dbraw/zinc/13/86/77/1045138677.db2.gz FFTOARCTLBNDRO-MGPUTAFESA-N 0 3 340.467 4.326 20 10 EICDHN CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1C[C@@H](C)c3c1c([O-])ccc3F)CC2 ZINC000790697146 1045559084 /nfs/dbraw/zinc/55/90/84/1045559084.db2.gz KAQVFWDOWKEXRT-INWMFGNUSA-N 0 3 343.446 4.004 20 10 EICDHN [O-]c1ccc(Cl)c(F)c1CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000790950141 1045635081 /nfs/dbraw/zinc/63/50/81/1045635081.db2.gz VNWYKBXENQMDRV-QGZVFWFLSA-N 0 3 348.849 4.111 20 10 EICDHN [O-]c1ccccc1C[N@H+](C/C=C/c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000768163416 1045730712 /nfs/dbraw/zinc/73/07/12/1045730712.db2.gz YVCCUROCCAYJEO-HQMUEHRGSA-N 0 3 341.426 4.226 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000768163416 1045730720 /nfs/dbraw/zinc/73/07/20/1045730720.db2.gz YVCCUROCCAYJEO-HQMUEHRGSA-N 0 3 341.426 4.226 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1coc2ccccc12)C[C@H]1CCCO1 ZINC000768163290 1045731144 /nfs/dbraw/zinc/73/11/44/1045731144.db2.gz XQNAFARHMRJFRP-GOSISDBHSA-N 0 3 337.419 4.320 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1coc2ccccc12)C[C@H]1CCCO1 ZINC000768163290 1045731130 /nfs/dbraw/zinc/73/11/30/1045731130.db2.gz XQNAFARHMRJFRP-GOSISDBHSA-N 0 3 337.419 4.320 20 10 EICDHN CCN(CC)c1ccc(CN(C)Cc2ccccc2NC(C)=O)cc1 ZINC000768209113 1045742808 /nfs/dbraw/zinc/74/28/08/1045742808.db2.gz ZUVKFUNWWSPMKW-UHFFFAOYSA-N 0 3 339.483 4.123 20 10 EICDHN CN(C)c1ccc(CN2CCC(OCc3ccccc3)CC2)cc1F ZINC000768214856 1045754729 /nfs/dbraw/zinc/75/47/29/1045754729.db2.gz RQSAEILSDFHHAM-UHFFFAOYSA-N 0 3 342.458 4.073 20 10 EICDHN CC(C)N(Cc1cnn(C(C)(C)C)c1)Cc1ccc(N(C)C)cc1 ZINC000768357492 1045799482 /nfs/dbraw/zinc/79/94/82/1045799482.db2.gz LUDXZIYTCKQYRZ-UHFFFAOYSA-N 0 3 328.504 4.115 20 10 EICDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OCC(C)C ZINC000768872955 1045851187 /nfs/dbraw/zinc/85/11/87/1045851187.db2.gz MWTLIOQVQGGVKT-UHFFFAOYSA-N 0 3 329.440 4.068 20 10 EICDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OCC(C)C ZINC000768872955 1045851198 /nfs/dbraw/zinc/85/11/98/1045851198.db2.gz MWTLIOQVQGGVKT-UHFFFAOYSA-N 0 3 329.440 4.068 20 10 EICDHN CCCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OCC ZINC000768872763 1045851886 /nfs/dbraw/zinc/85/18/86/1045851886.db2.gz IKPIKCBERJNLRE-UHFFFAOYSA-N 0 3 329.440 4.212 20 10 EICDHN CCCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OCC ZINC000768872763 1045851883 /nfs/dbraw/zinc/85/18/83/1045851883.db2.gz IKPIKCBERJNLRE-UHFFFAOYSA-N 0 3 329.440 4.212 20 10 EICDHN Cc1ccc(C(=O)C2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000768925861 1045861932 /nfs/dbraw/zinc/86/19/32/1045861932.db2.gz IGPWMUOFNJLKQA-UHFFFAOYSA-N 0 3 336.479 4.156 20 10 EICDHN CCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1[O-] ZINC000769200990 1045894464 /nfs/dbraw/zinc/89/44/64/1045894464.db2.gz MLWMBBMFNPTFRQ-UHFFFAOYSA-N 0 3 339.414 4.334 20 10 EICDHN CCC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1[O-] ZINC000769200990 1045894457 /nfs/dbraw/zinc/89/44/57/1045894457.db2.gz MLWMBBMFNPTFRQ-UHFFFAOYSA-N 0 3 339.414 4.334 20 10 EICDHN COc1ccc(C[NH2+]CC(c2ccccc2)c2ccccc2)c([O-])c1 ZINC000237361543 1045920813 /nfs/dbraw/zinc/92/08/13/1045920813.db2.gz QQQLXEHOQORUFL-UHFFFAOYSA-N 0 3 333.431 4.323 20 10 EICDHN CCN1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C ZINC000769469624 1045984828 /nfs/dbraw/zinc/98/48/28/1045984828.db2.gz BRJMWTDZIACZDY-UTKZUKDTSA-N 0 3 338.495 4.364 20 10 EICDHN CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C ZINC000769469624 1045984838 /nfs/dbraw/zinc/98/48/38/1045984838.db2.gz BRJMWTDZIACZDY-UTKZUKDTSA-N 0 3 338.495 4.364 20 10 EICDHN Cc1ccc(O)c(CN(CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000769530910 1046011107 /nfs/dbraw/zinc/01/11/07/1046011107.db2.gz OTNRHCBTAGIRNY-UHFFFAOYSA-N 0 3 340.250 4.002 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCSCC(F)(F)F ZINC000769689134 1046039551 /nfs/dbraw/zinc/03/95/51/1046039551.db2.gz JPXIGVZPGJBYNT-UHFFFAOYSA-N 0 3 341.398 4.444 20 10 EICDHN CCOc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000793270476 1046193594 /nfs/dbraw/zinc/19/35/94/1046193594.db2.gz SGMAMVIBGCHCTG-QAPCUYQASA-N 0 3 329.415 4.356 20 10 EICDHN CCOc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000793351992 1046223061 /nfs/dbraw/zinc/22/30/61/1046223061.db2.gz LJNSITSLLUWAEA-YJBOKZPZSA-N 0 3 329.415 4.356 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)c([O-])c1 ZINC000793386569 1046230876 /nfs/dbraw/zinc/23/08/76/1046230876.db2.gz WRMBTMTXODYGGZ-UHFFFAOYSA-N 0 3 349.430 4.366 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccc(OCCC(C)C)cc2)c([O-])c1 ZINC000793389570 1046231460 /nfs/dbraw/zinc/23/14/60/1046231460.db2.gz JVURSOHWMUCPKI-UHFFFAOYSA-N 0 3 329.440 4.116 20 10 EICDHN CN(C)c1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000771924208 1046518885 /nfs/dbraw/zinc/51/88/85/1046518885.db2.gz CWJBRBUQKPBGQZ-UHFFFAOYSA-N 0 3 336.435 4.254 20 10 EICDHN C[C@@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806175963 1047162447 /nfs/dbraw/zinc/16/24/47/1047162447.db2.gz GPUMFPSTDAMNBP-KUHUBIRLSA-N 0 3 332.875 4.180 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000806176242 1047178448 /nfs/dbraw/zinc/17/84/48/1047178448.db2.gz KESYAIBZVSJFCX-RLCCDNCMSA-N 0 3 349.833 4.446 20 10 EICDHN CC[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cccc(Cl)c1[O-] ZINC000806165732 1047188980 /nfs/dbraw/zinc/18/89/80/1047188980.db2.gz OJWPCYKIAKFRIF-INIZCTEOSA-N 0 3 329.831 4.205 20 10 EICDHN COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3c(C)cc(C)cc3[O-])c21 ZINC000788731405 1047281152 /nfs/dbraw/zinc/28/11/52/1047281152.db2.gz BDNZPHBOGYJYPX-HNNXBMFYSA-N 0 3 338.451 4.392 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)c1[O-] ZINC000814169927 1047871514 /nfs/dbraw/zinc/87/15/14/1047871514.db2.gz OOVCMJFIOMBUHT-LLVKDONJSA-N 0 3 333.806 4.359 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCc3nc(C)ncc32)c1[O-] ZINC000808694368 1048041644 /nfs/dbraw/zinc/04/16/44/1048041644.db2.gz FAFBSOHOHHDCLT-ZBEGNZNMSA-N 0 3 331.847 4.181 20 10 EICDHN COc1ccccc1OCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808673034 1048046185 /nfs/dbraw/zinc/04/61/85/1048046185.db2.gz VVFITDNYTPCJKK-ZDUSSCGKSA-N 0 3 335.831 4.092 20 10 EICDHN COCCOc1ccccc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808679524 1048047462 /nfs/dbraw/zinc/04/74/62/1048047462.db2.gz RVTVPAPDEFERIC-AWEZNQCLSA-N 0 3 349.858 4.230 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000808707914 1048054587 /nfs/dbraw/zinc/05/45/87/1048054587.db2.gz CKUJTSRXEGUAFU-GFCCVEGCSA-N 0 3 334.803 4.156 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)c1[O-] ZINC000808713593 1048059887 /nfs/dbraw/zinc/05/98/87/1048059887.db2.gz JDPOLTYSSONLDK-ZDUSSCGKSA-N 0 3 343.858 4.134 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1[O-] ZINC000808715967 1048063491 /nfs/dbraw/zinc/06/34/91/1048063491.db2.gz PBNYAOZEANQHDD-CJNGLKHVSA-N 0 3 335.879 4.178 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1[O-] ZINC000808716125 1048063617 /nfs/dbraw/zinc/06/36/17/1048063617.db2.gz JQRKLGLZSKFEFO-GFCCVEGCSA-N 0 3 334.803 4.421 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1[O-] ZINC000808694749 1048077259 /nfs/dbraw/zinc/07/72/59/1048077259.db2.gz GVYRBDGNJAGMGH-NEPJUHHUSA-N 0 3 347.846 4.256 20 10 EICDHN COc1cc(CN(C)[C@@H](C)c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825501931 1048104624 /nfs/dbraw/zinc/10/46/24/1048104624.db2.gz SPXWLPFYOHWVHR-AWEZNQCLSA-N 0 3 328.456 4.286 20 10 EICDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171147109 1048464243 /nfs/dbraw/zinc/46/42/43/1048464243.db2.gz ZQGLOPJEWGKHAR-CYBMUJFWSA-N 0 3 338.234 4.052 20 10 EICDHN C[C@H](CO)[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1CCC1 ZINC000809664074 1048469114 /nfs/dbraw/zinc/46/91/14/1048469114.db2.gz ADLWCIRPFQSSAD-MRXNPFEDSA-N 0 3 325.452 4.042 20 10 EICDHN C[C@H](CO)[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1CCC1 ZINC000809664074 1048469119 /nfs/dbraw/zinc/46/91/19/1048469119.db2.gz ADLWCIRPFQSSAD-MRXNPFEDSA-N 0 3 325.452 4.042 20 10 EICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CC4(F)F)CC3)c2c1 ZINC000844726072 1048478412 /nfs/dbraw/zinc/47/84/12/1048478412.db2.gz WBIWCCWSGDMEKJ-UHFFFAOYSA-N 0 3 333.378 4.175 20 10 EICDHN [O-]c1ccc(F)cc1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000809737534 1048508144 /nfs/dbraw/zinc/50/81/44/1048508144.db2.gz WNDVXMJIQDQLMB-UHFFFAOYSA-N 0 3 336.410 4.171 20 10 EICDHN [O-]c1ccc(F)cc1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000809737534 1048508159 /nfs/dbraw/zinc/50/81/59/1048508159.db2.gz WNDVXMJIQDQLMB-UHFFFAOYSA-N 0 3 336.410 4.171 20 10 EICDHN Cc1cc(C)c([C@H](C)NCc2cn3cc(Cl)ccc3n2)c(O)c1 ZINC000815557199 1048508660 /nfs/dbraw/zinc/50/86/60/1048508660.db2.gz OMXBUMZJVZRQNK-ZDUSSCGKSA-N 0 3 329.831 4.161 20 10 EICDHN CC(C)[C@@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579547 1048517886 /nfs/dbraw/zinc/51/78/86/1048517886.db2.gz PHAUHQCXJPWIRF-CTNGQTDRSA-N 0 3 327.468 4.063 20 10 EICDHN C[C@H]1CCCN1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815585173 1048522947 /nfs/dbraw/zinc/52/29/47/1048522947.db2.gz ZZFQUPUZZPGZBZ-RXVVDRJESA-N 0 3 338.495 4.140 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCN1C ZINC000815583957 1048523214 /nfs/dbraw/zinc/52/32/14/1048523214.db2.gz RTCLNYGZVXWRFH-YFVAEKQCSA-N 0 3 338.495 4.138 20 10 EICDHN CO[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C(C)C ZINC000815585361 1048523333 /nfs/dbraw/zinc/52/33/33/1048523333.db2.gz FOXAODOHZSPUII-FPOVZHCZSA-N 0 3 327.468 4.327 20 10 EICDHN CC[C@@H](c1ccccc1OC)N(C)Cc1cc(OC)c(OC)cc1O ZINC000809781152 1048529387 /nfs/dbraw/zinc/52/93/87/1048529387.db2.gz PGOBBXSHIWCEPT-INIZCTEOSA-N 0 3 345.439 4.001 20 10 EICDHN COCCC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815596894 1048529486 /nfs/dbraw/zinc/52/94/86/1048529486.db2.gz HFBXINSJGIDLRJ-FQEVSTJZSA-N 0 3 339.479 4.472 20 10 EICDHN C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000815630835 1048553431 /nfs/dbraw/zinc/55/34/31/1048553431.db2.gz ZADUIAUOYBFWCV-FSBGKCOPSA-N 0 3 335.806 4.056 20 10 EICDHN CO[C@@](C)(C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815627769 1048553833 /nfs/dbraw/zinc/55/38/33/1048553833.db2.gz JAKRGGDTVKXFIH-IRLDBZIGSA-N 0 3 339.479 4.471 20 10 EICDHN CC[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(C)cc1[O-] ZINC000815645896 1048571004 /nfs/dbraw/zinc/57/10/04/1048571004.db2.gz TWUXITCNVDLKBP-MRXNPFEDSA-N 0 3 338.373 4.398 20 10 EICDHN CSc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000810135475 1048642575 /nfs/dbraw/zinc/64/25/75/1048642575.db2.gz OKKABFKMDOSKQA-CQSZACIVSA-N 0 3 348.537 4.157 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccccc1[O-] ZINC000810262139 1048711185 /nfs/dbraw/zinc/71/11/85/1048711185.db2.gz MEFSXUJNDIHAOA-JKSUJKDBSA-N 0 3 338.451 4.321 20 10 EICDHN CC[C@@H](N[C@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846058317 1048797862 /nfs/dbraw/zinc/79/78/62/1048797862.db2.gz PWBSZVYPWFVMMY-RTBURBONSA-N 0 3 335.451 4.150 20 10 EICDHN CCOc1cccc(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846051619 1048807673 /nfs/dbraw/zinc/80/76/73/1048807673.db2.gz HMMIYQLSEUAFSU-INIZCTEOSA-N 0 3 345.414 4.322 20 10 EICDHN [O-]c1c(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)ccc2ccccc21 ZINC000816495616 1048815698 /nfs/dbraw/zinc/81/56/98/1048815698.db2.gz CLAIJLONAZRNNC-LJQANCHMSA-N 0 3 337.419 4.320 20 10 EICDHN [O-]c1c(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)ccc2ccccc21 ZINC000816495616 1048815708 /nfs/dbraw/zinc/81/57/08/1048815708.db2.gz CLAIJLONAZRNNC-LJQANCHMSA-N 0 3 337.419 4.320 20 10 EICDHN COc1cccc([C@H](C)NCc2cc(C)ccc2OC(F)F)c1O ZINC000846150210 1048823992 /nfs/dbraw/zinc/82/39/92/1048823992.db2.gz OGHWUTCPMXRJKL-LBPRGKRZSA-N 0 3 337.366 4.161 20 10 EICDHN [O-]c1c(C[NH2+]Cc2cn3cc(Cl)ccc3n2)ccc2ccccc12 ZINC000816533865 1048825646 /nfs/dbraw/zinc/82/56/46/1048825646.db2.gz MLTCJNRKWHGLLW-UHFFFAOYSA-N 0 3 337.810 4.136 20 10 EICDHN Cc1ccc(O)c([C@@H](C)N[C@@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846207922 1048832407 /nfs/dbraw/zinc/83/24/07/1048832407.db2.gz VGLMVADQEVWSOR-APWZRJJASA-N 0 3 335.451 4.069 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1[O-] ZINC000816643654 1048847463 /nfs/dbraw/zinc/84/74/63/1048847463.db2.gz MDKRNZKKSJFFBI-UHFFFAOYSA-N 0 3 344.764 4.100 20 10 EICDHN Oc1ccc(-c2ccccc2)cc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816665935 1048852307 /nfs/dbraw/zinc/85/23/07/1048852307.db2.gz AJSCIFGLXYCICL-YADHBBJMSA-N 0 3 335.447 4.203 20 10 EICDHN COc1ccc([C@@H](NCc2ccc(N(C)C)cc2)C2CC2)c(F)c1 ZINC000817576244 1049005603 /nfs/dbraw/zinc/00/56/03/1049005603.db2.gz OLPXJBIWNUBCQZ-FQEVSTJZSA-N 0 3 328.431 4.141 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)c([O-])c1 ZINC000817975080 1049074570 /nfs/dbraw/zinc/07/45/70/1049074570.db2.gz IIZJCPDIGIMAHY-DYVFJYSZSA-N 0 3 326.440 4.236 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CCCN3)c2c1c(F)ccc2[O-] ZINC000817974910 1049074727 /nfs/dbraw/zinc/07/47/27/1049074727.db2.gz HKMGPBCVEJFTAQ-PXAZEXFGSA-N 0 3 326.415 4.228 20 10 EICDHN CC[C@@H](N[C@@H]1CCOc2c(OC)cccc21)c1ccc(N(C)C)cc1 ZINC000772984355 1049213591 /nfs/dbraw/zinc/21/35/91/1049213591.db2.gz DXRWSSSVFMYHHZ-RTBURBONSA-N 0 3 340.467 4.326 20 10 EICDHN Cc1cc(CN2CC[C@H](n3cc(Cl)cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000811804057 1049272534 /nfs/dbraw/zinc/27/25/34/1049272534.db2.gz ZTKBKTNDGVDOCQ-INIZCTEOSA-N 0 3 347.890 4.295 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000812772314 1049569699 /nfs/dbraw/zinc/56/96/99/1049569699.db2.gz KLSHHQNDJNUVLP-CQSZACIVSA-N 0 3 348.849 4.109 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000179585944 1049680200 /nfs/dbraw/zinc/68/02/00/1049680200.db2.gz CQIOHZDULKNOIJ-HXUWFJFHSA-N 0 3 339.460 4.190 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000179585944 1049680212 /nfs/dbraw/zinc/68/02/12/1049680212.db2.gz CQIOHZDULKNOIJ-HXUWFJFHSA-N 0 3 339.460 4.190 20 10 EICDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])CC1CCOCC1 ZINC000179643079 1049704146 /nfs/dbraw/zinc/70/41/46/1049704146.db2.gz ICHPWUCNNYDRHE-QGZVFWFLSA-N 0 3 325.452 4.382 20 10 EICDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])CC1CCOCC1 ZINC000179643079 1049704159 /nfs/dbraw/zinc/70/41/59/1049704159.db2.gz ICHPWUCNNYDRHE-QGZVFWFLSA-N 0 3 325.452 4.382 20 10 EICDHN C[C@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccccc1[O-] ZINC000179889410 1049792320 /nfs/dbraw/zinc/79/23/20/1049792320.db2.gz NEPVWQRDAABQFH-ZBEGNZNMSA-N 0 3 332.241 4.493 20 10 EICDHN CN(C)c1ccc(CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000813782522 1049815640 /nfs/dbraw/zinc/81/56/40/1049815640.db2.gz DRAUAAFJZBDXEY-PKTZIBPZSA-N 0 3 346.474 4.317 20 10 EICDHN C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000813885929 1049832301 /nfs/dbraw/zinc/83/23/01/1049832301.db2.gz ZADUIAUOYBFWCV-JMPLFQLZSA-N 0 3 335.806 4.056 20 10 EICDHN Cc1n[nH]cc1[C@@H](C)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000180326628 1049877805 /nfs/dbraw/zinc/87/78/05/1049877805.db2.gz ZOBQRYVVDXNLEW-OAHLLOKOSA-N 0 3 326.488 4.338 20 10 EICDHN C[C@@H](NCc1cc2cc(Cl)cnc2o1)c1ccc(N(C)C)cc1 ZINC000824195684 1049904763 /nfs/dbraw/zinc/90/47/63/1049904763.db2.gz JJPWFSZQSGVEFA-GFCCVEGCSA-N 0 3 329.831 4.398 20 10 EICDHN C[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000181347700 1050106895 /nfs/dbraw/zinc/10/68/95/1050106895.db2.gz GCHWKNKZYIRADJ-OAHLLOKOSA-N 0 3 327.472 4.176 20 10 EICDHN CCCCCn1cc(CNCc2c(C)c3ccccc3n2C)c(C)n1 ZINC001178397850 1050450974 /nfs/dbraw/zinc/45/09/74/1050450974.db2.gz GBMHGXQJZHGQSC-UHFFFAOYSA-N 0 3 338.499 4.472 20 10 EICDHN CCN(C)c1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000773811484 1050666936 /nfs/dbraw/zinc/66/69/36/1050666936.db2.gz NTSSPXGIUVEIGT-OAHLLOKOSA-N 0 3 327.428 4.210 20 10 EICDHN COc1cc(C)c(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c([O-])c1 ZINC001179874464 1050813083 /nfs/dbraw/zinc/81/30/83/1050813083.db2.gz ZVPIADRJLUFQNY-APWZRJJASA-N 0 3 325.452 4.335 20 10 EICDHN COc1cc(C)c(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c([O-])c1 ZINC001179874464 1050813089 /nfs/dbraw/zinc/81/30/89/1050813089.db2.gz ZVPIADRJLUFQNY-APWZRJJASA-N 0 3 325.452 4.335 20 10 EICDHN C[C@H](NCc1cnc(-c2ccncc2)s1)c1ccc(N(C)C)cc1 ZINC000775361714 1051128039 /nfs/dbraw/zinc/12/80/39/1051128039.db2.gz FHVWYMUVEZADRU-AWEZNQCLSA-N 0 3 338.480 4.122 20 10 EICDHN CCN1CC[C@H]([NH2+]Cc2ccccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000773431217 1051255465 /nfs/dbraw/zinc/25/54/65/1051255465.db2.gz MHKKZFPQDHOPAM-PKOBYXMFSA-N 0 3 348.849 4.110 20 10 EICDHN CCN1CC[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773431214 1051257593 /nfs/dbraw/zinc/25/75/93/1051257593.db2.gz MHKKZFPQDHOPAM-MJGOQNOKSA-N 0 3 348.849 4.110 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775410606 1051275099 /nfs/dbraw/zinc/27/50/99/1051275099.db2.gz AWAVEFMEXPNYFF-RDJZCZTQSA-N 0 3 339.357 4.185 20 10 EICDHN CCC[N@H+](CCSc1cccc(OC)c1)Cc1ccccc1[O-] ZINC001191279659 1051416189 /nfs/dbraw/zinc/41/61/89/1051416189.db2.gz XSKBLMQUVGOGGW-UHFFFAOYSA-N 0 3 331.481 4.405 20 10 EICDHN CCC[N@@H+](CCSc1cccc(OC)c1)Cc1ccccc1[O-] ZINC001191279659 1051416195 /nfs/dbraw/zinc/41/61/95/1051416195.db2.gz XSKBLMQUVGOGGW-UHFFFAOYSA-N 0 3 331.481 4.405 20 10 EICDHN Cc1ccc(C)c(N2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)c1 ZINC001191520691 1051472726 /nfs/dbraw/zinc/47/27/26/1051472726.db2.gz JPJLDLMBCCKGNZ-UHFFFAOYSA-N 0 3 337.511 4.000 20 10 EICDHN CCOc1ccc(CC[NH2+][C@H](CC)c2ccccc2[O-])cc1OCC ZINC000775483104 1051551358 /nfs/dbraw/zinc/55/13/58/1051551358.db2.gz KWLRISRYANBVFG-GOSISDBHSA-N 0 3 343.467 4.473 20 10 EICDHN C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1C ZINC001182452506 1051580079 /nfs/dbraw/zinc/58/00/79/1051580079.db2.gz OFYYEMKTNZJHGQ-BRWVUGGUSA-N 0 3 325.452 4.448 20 10 EICDHN C[C@H]1[C@@H](C)[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1C ZINC001182452506 1051580093 /nfs/dbraw/zinc/58/00/93/1051580093.db2.gz OFYYEMKTNZJHGQ-BRWVUGGUSA-N 0 3 325.452 4.448 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1[O-] ZINC001175425628 1051587951 /nfs/dbraw/zinc/58/79/51/1051587951.db2.gz CZLOOCRQOAJYLF-INIZCTEOSA-N 0 3 346.430 4.495 20 10 EICDHN CCO[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000774499651 1051618060 /nfs/dbraw/zinc/61/80/60/1051618060.db2.gz XRGWMNJBGWUUNA-FDQGKXFDSA-N 0 3 329.415 4.447 20 10 EICDHN CC[C@@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)c1ccccc1[O-] ZINC000775500077 1051622872 /nfs/dbraw/zinc/62/28/72/1051622872.db2.gz NRYVCJZWNNPUNS-GOSISDBHSA-N 0 3 348.450 4.002 20 10 EICDHN CC[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccccc1[O-] ZINC000775508661 1051639879 /nfs/dbraw/zinc/63/98/79/1051639879.db2.gz DWQBFKOXLCQBCX-AWEZNQCLSA-N 0 3 340.254 4.247 20 10 EICDHN CC[C@@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775523909 1051699691 /nfs/dbraw/zinc/69/96/91/1051699691.db2.gz AYFARGCLTAKOLG-HZPDHXFCSA-N 0 3 339.357 4.185 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000775526599 1051718969 /nfs/dbraw/zinc/71/89/69/1051718969.db2.gz SHJRNSNOLQLHMF-MAUKXSAKSA-N 0 3 328.431 4.241 20 10 EICDHN CCc1cc(Br)ccc1C[N@H+](C)Cc1ccccc1[O-] ZINC001237750515 1051867592 /nfs/dbraw/zinc/86/75/92/1051867592.db2.gz RRWDUINRLPUTNH-UHFFFAOYSA-N 0 3 334.257 4.349 20 10 EICDHN CCc1cc(Br)ccc1C[N@@H+](C)Cc1ccccc1[O-] ZINC001237750515 1051867596 /nfs/dbraw/zinc/86/75/96/1051867596.db2.gz RRWDUINRLPUTNH-UHFFFAOYSA-N 0 3 334.257 4.349 20 10 EICDHN Oc1cccc2c1[C@@H](NCc1cc(F)ccc1Br)CC2 ZINC000296179827 1052084647 /nfs/dbraw/zinc/08/46/47/1052084647.db2.gz XZPZHJDWJCXYPM-AWEZNQCLSA-N 0 3 336.204 4.071 20 10 EICDHN Cc1nn(C)c(C)c1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000774824362 1052172514 /nfs/dbraw/zinc/17/25/14/1052172514.db2.gz MTWIZESVAQNTJO-UHFFFAOYSA-N 0 3 349.478 4.132 20 10 EICDHN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000184836146 1052246800 /nfs/dbraw/zinc/24/68/00/1052246800.db2.gz QGPIJMWJNWWJGA-CZUORRHYSA-N 0 3 334.460 4.081 20 10 EICDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1cccc(-n2cccn2)c1 ZINC000185617232 1052662370 /nfs/dbraw/zinc/66/23/70/1052662370.db2.gz MYYYZXWOKOPIMI-ZIAGYGMSSA-N 0 3 325.387 4.129 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000186003340 1052841251 /nfs/dbraw/zinc/84/12/51/1052841251.db2.gz OHEXVZREQBEKDX-SJCJKPOMSA-N 0 3 339.357 4.104 20 10 EICDHN CCOCc1cc(CNCc2ccc3occc3c2)ccc1OC ZINC000850354630 1053129380 /nfs/dbraw/zinc/12/93/80/1053129380.db2.gz QTORABNKZRTMAI-UHFFFAOYSA-N 0 3 325.408 4.268 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@H](COC)c2cccc(OC)c2)cc1 ZINC000850515002 1053273977 /nfs/dbraw/zinc/27/39/77/1053273977.db2.gz TUWYZCCWJUYRPC-HRAATJIYSA-N 0 3 342.483 4.190 20 10 EICDHN Cc1cc(Br)c(CN[C@@H]2CCc3cccc(O)c32)s1 ZINC000850538264 1053300271 /nfs/dbraw/zinc/30/02/71/1053300271.db2.gz XKMWIWCAGQGJAR-GFCCVEGCSA-N 0 3 338.270 4.302 20 10 EICDHN C[C@@H](NCc1cc(F)ccc1OC(F)F)c1cc(F)ccc1O ZINC000850570000 1053324211 /nfs/dbraw/zinc/32/42/11/1053324211.db2.gz PRPPVGOQEWFDHE-SECBINFHSA-N 0 3 329.293 4.123 20 10 EICDHN COc1ccccc1-c1cc(CN[C@H](C)c2cc(C)ccc2O)on1 ZINC000850583222 1053334290 /nfs/dbraw/zinc/33/42/90/1053334290.db2.gz JOGDZLMLQUADRP-CQSZACIVSA-N 0 3 338.407 4.215 20 10 EICDHN CC[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(C)cc1[O-] ZINC000794795160 1053379790 /nfs/dbraw/zinc/37/97/90/1053379790.db2.gz HDAPFABTORLUCS-FQEVSTJZSA-N 0 3 339.479 4.490 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(CC)CC)c1ccc(C)cc1[O-] ZINC000794802395 1053383667 /nfs/dbraw/zinc/38/36/67/1053383667.db2.gz FCJCSNHAUOIYGV-MSOLQXFVSA-N 0 3 330.472 4.417 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794792900 1053387838 /nfs/dbraw/zinc/38/78/38/1053387838.db2.gz HIZDHKCVTXZYFI-QZTJIDSGSA-N 0 3 328.456 4.171 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794792899 1053388402 /nfs/dbraw/zinc/38/84/02/1053388402.db2.gz HIZDHKCVTXZYFI-MSOLQXFVSA-N 0 3 328.456 4.171 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccc(C)cc1[O-] ZINC000794804216 1053397610 /nfs/dbraw/zinc/39/76/10/1053397610.db2.gz UCRPKGGHDHCLEO-WBVHZDCISA-N 0 3 329.440 4.217 20 10 EICDHN Cc1cc(Br)cc(C[N@@H+](Cc2ccccn2)C(C)C)c1[O-] ZINC000775657460 1053414394 /nfs/dbraw/zinc/41/43/94/1053414394.db2.gz ANRQRARAEHKYPE-UHFFFAOYSA-N 0 3 349.272 4.269 20 10 EICDHN Cc1cc(Br)cc(C[N@H+](Cc2ccccn2)C(C)C)c1[O-] ZINC000775657460 1053414410 /nfs/dbraw/zinc/41/44/10/1053414410.db2.gz ANRQRARAEHKYPE-UHFFFAOYSA-N 0 3 349.272 4.269 20 10 EICDHN CC[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000794814438 1053421923 /nfs/dbraw/zinc/42/19/23/1053421923.db2.gz LEPBQVRGDIIJBW-UKPHBRMFSA-N 0 3 345.405 4.225 20 10 EICDHN Cc1cccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1O ZINC000775663252 1053431474 /nfs/dbraw/zinc/43/14/74/1053431474.db2.gz LPBJRJHXUNAONJ-RYUDHWBXSA-N 0 3 341.295 4.263 20 10 EICDHN CC[C@H]([NH2+][C@H](CCCOC)Cc1ccccc1)c1ccccc1[O-] ZINC000794822227 1053437233 /nfs/dbraw/zinc/43/72/33/1053437233.db2.gz AZMDOIJSCZRASH-QUCCMNQESA-N 0 3 327.468 4.471 20 10 EICDHN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000765256881 1053483690 /nfs/dbraw/zinc/48/36/90/1053483690.db2.gz YUEMEFSVGBCCCA-UONOGXRCSA-N 0 3 345.512 4.008 20 10 EICDHN CCOCc1cc(CNCc2ccc(OC)c(Cl)c2)ccc1OC ZINC000765278957 1053488346 /nfs/dbraw/zinc/48/83/46/1053488346.db2.gz DGHOSBMNPXUPIY-UHFFFAOYSA-N 0 3 349.858 4.184 20 10 EICDHN Cc1cc(C)c([C@H](C)NCc2ccc(Br)cn2)c(O)c1 ZINC000866568990 1053790602 /nfs/dbraw/zinc/79/06/02/1053790602.db2.gz JDCGKTAGFJEQIH-LBPRGKRZSA-N 0 3 335.245 4.017 20 10 EICDHN FC(F)(F)Oc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000765607340 1053799730 /nfs/dbraw/zinc/79/97/30/1053799730.db2.gz ATNYIBZCEFZEQU-KRWDZBQOSA-N 0 3 349.352 4.297 20 10 EICDHN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000122706697 1054021571 /nfs/dbraw/zinc/02/15/71/1054021571.db2.gz GGXGVZCINCUTFK-OAHLLOKOSA-N 0 3 327.428 4.128 20 10 EICDHN CCc1nc2c(s1)[C@@H](NCc1ccc3c(c1)CCCN3C)CCC2 ZINC000122935741 1054061637 /nfs/dbraw/zinc/06/16/37/1054061637.db2.gz LFFBKGXLPCQJBB-INIZCTEOSA-N 0 3 341.524 4.255 20 10 EICDHN CN(C)c1ccc(CN2CCC(Oc3cccc(Cl)c3)CC2)cc1 ZINC001203933593 1054397033 /nfs/dbraw/zinc/39/70/33/1054397033.db2.gz BBYKRAWSIGYPAH-UHFFFAOYSA-N 0 3 344.886 4.449 20 10 EICDHN CCOCc1cc(CN[C@H]2CCCOc3ccccc32)ccc1OC ZINC001199972160 1054508864 /nfs/dbraw/zinc/50/88/64/1054508864.db2.gz MIIFHPZXRBCASS-IBGZPJMESA-N 0 3 341.451 4.235 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC001203550077 1054652539 /nfs/dbraw/zinc/65/25/39/1054652539.db2.gz GXJHOQRFTFGWEV-INIZCTEOSA-N 0 3 332.241 4.492 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC001203550077 1054652541 /nfs/dbraw/zinc/65/25/41/1054652541.db2.gz GXJHOQRFTFGWEV-INIZCTEOSA-N 0 3 332.241 4.492 20 10 EICDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC001201742647 1054893204 /nfs/dbraw/zinc/89/32/04/1054893204.db2.gz RUTKYMQSUUJPMQ-RDBXKPKDSA-N 0 3 340.442 4.408 20 10 EICDHN Cc1cccc(O)c1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000876752707 1054955445 /nfs/dbraw/zinc/95/54/45/1054955445.db2.gz WVERFDFXYNPPPP-UHFFFAOYSA-N 0 3 327.268 4.017 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@@H]1CCCO1 ZINC000862213658 1055029632 /nfs/dbraw/zinc/02/96/32/1055029632.db2.gz RZHSFKWYNXCGQC-IBGZPJMESA-N 0 3 336.435 4.055 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc2[nH]ccc2c1)C[C@@H]1CCCO1 ZINC000862213658 1055029648 /nfs/dbraw/zinc/02/96/48/1055029648.db2.gz RZHSFKWYNXCGQC-IBGZPJMESA-N 0 3 336.435 4.055 20 10 EICDHN Cc1ccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877336579 1055042392 /nfs/dbraw/zinc/04/23/92/1055042392.db2.gz KNAGVWVSEADRNA-QUCCMNQESA-N 0 3 329.415 4.192 20 10 EICDHN Cc1ccc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877336579 1055042412 /nfs/dbraw/zinc/04/24/12/1055042412.db2.gz KNAGVWVSEADRNA-QUCCMNQESA-N 0 3 329.415 4.192 20 10 EICDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(OC)cc2OC)cc1 ZINC000118952191 1055071126 /nfs/dbraw/zinc/07/11/26/1055071126.db2.gz KEJVRZCQODOYDU-OAHLLOKOSA-N 0 3 328.456 4.011 20 10 EICDHN Cc1ccc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c([O-])c1 ZINC000877618458 1055092102 /nfs/dbraw/zinc/09/21/02/1055092102.db2.gz VKPSHKJTFKXXLG-UHFFFAOYSA-N 0 3 333.435 4.023 20 10 EICDHN C[C@@H]([NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000877757870 1055114202 /nfs/dbraw/zinc/11/42/02/1055114202.db2.gz XLQYOWFZQOVCRA-BLIXFSHQSA-N 0 3 336.479 4.411 20 10 EICDHN CCN(C)c1ccc([C@H](C)NCc2ccc(N(CC)CC)nc2)cc1 ZINC000126799609 1055153739 /nfs/dbraw/zinc/15/37/39/1055153739.db2.gz JYYLXHDSZVCCCT-KRWDZBQOSA-N 0 3 340.515 4.235 20 10 EICDHN Cc1ccc([C@@H](C)Nc2cccc(CN3CCSCC3)c2)c(O)c1 ZINC000186343017 1055369780 /nfs/dbraw/zinc/36/97/80/1055369780.db2.gz UJGBNFCHOKPBTH-MRXNPFEDSA-N 0 3 342.508 4.423 20 10 EICDHN COc1ccccc1[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])OC(C)C ZINC000186381496 1055417027 /nfs/dbraw/zinc/41/70/27/1055417027.db2.gz ASVMNQGXJZTGLB-VLIAUNLRSA-N 0 3 347.430 4.357 20 10 EICDHN CCCOc1ccc(CN[C@@H](C)c2ccc(N(C)CC)cc2)cn1 ZINC000765857791 1056013044 /nfs/dbraw/zinc/01/30/44/1056013044.db2.gz FYKVTKHJCYXYPK-INIZCTEOSA-N 0 3 327.472 4.177 20 10 EICDHN CCCOc1ccc(CN[C@H](C)c2ccc(N(C)CC)cc2)cn1 ZINC000765857792 1056013368 /nfs/dbraw/zinc/01/33/68/1056013368.db2.gz FYKVTKHJCYXYPK-MRXNPFEDSA-N 0 3 327.472 4.177 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@@H](C(C)C)C3)c2c1 ZINC000743396357 1058975337 /nfs/dbraw/zinc/97/53/37/1058975337.db2.gz RCWWJDWAZRFICQ-LJQANCHMSA-N 0 3 331.481 4.127 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@@H](C(C)C)C3)c2c1 ZINC000743396357 1058975359 /nfs/dbraw/zinc/97/53/59/1058975359.db2.gz RCWWJDWAZRFICQ-LJQANCHMSA-N 0 3 331.481 4.127 20 10 EICDHN CCCCN(CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1O ZINC001169754344 1060943518 /nfs/dbraw/zinc/94/35/18/1060943518.db2.gz KWNQBUYNXYLKGW-UHFFFAOYSA-N 0 3 346.858 4.286 20 10 EICDHN CN(C)c1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000729678950 1032127847 /nfs/dbraw/zinc/12/78/47/1032127847.db2.gz ONJDOPOCINYGLW-UHFFFAOYSA-N 0 3 332.447 4.415 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1[O-] ZINC000529644967 1032492837 /nfs/dbraw/zinc/49/28/37/1032492837.db2.gz RNIHEPZJUNOGPE-QGZVFWFLSA-N 0 3 332.831 4.080 20 10 EICDHN COc1cc(Cl)cc(CN[C@@H](c2ccccn2)C2CCC2)c1O ZINC000529644967 1032492844 /nfs/dbraw/zinc/49/28/44/1032492844.db2.gz RNIHEPZJUNOGPE-QGZVFWFLSA-N 0 3 332.831 4.080 20 10 EICDHN C[C@H](O)C[C@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000275066240 1020071602 /nfs/dbraw/zinc/07/16/02/1020071602.db2.gz XVZUUAVCASLNCC-ZWOKBUDYSA-N 0 3 327.468 4.063 20 10 EICDHN COc1cccc(C[N@@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)c1 ZINC000023383734 1021458812 /nfs/dbraw/zinc/45/88/12/1021458812.db2.gz PYTWRRRNTGEDPJ-UHFFFAOYSA-N 0 3 337.419 4.195 20 10 EICDHN COc1cccc(C[N@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)c1 ZINC000023383734 1021458842 /nfs/dbraw/zinc/45/88/42/1021458842.db2.gz PYTWRRRNTGEDPJ-UHFFFAOYSA-N 0 3 337.419 4.195 20 10 EICDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)c1cnn(C)c1 ZINC000163895866 1022420028 /nfs/dbraw/zinc/42/00/28/1022420028.db2.gz OBEOXUMCFHFGLW-DLBZAZTESA-N 0 3 326.488 4.212 20 10 EICDHN COc1ccc(CN[C@H](C)c2oc3ccccc3c2C)c(O)c1OC ZINC000892616214 1022557055 /nfs/dbraw/zinc/55/70/55/1022557055.db2.gz YHKFBMVPJPPJNM-CYBMUJFWSA-N 0 3 341.407 4.315 20 10 EICDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000363950656 1023034747 /nfs/dbraw/zinc/03/47/47/1023034747.db2.gz IUMJYYATAWHOHW-UHFFFAOYSA-N 0 3 349.434 4.185 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2nc(-c3ccccc3)no2)c([O-])c1 ZINC000376891523 1023329877 /nfs/dbraw/zinc/32/98/77/1023329877.db2.gz BVGHHFFEPJPVGT-CABCVRRESA-N 0 3 337.423 4.032 20 10 EICDHN CCCOc1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)c([O-])c1 ZINC000188950125 1023396127 /nfs/dbraw/zinc/39/61/27/1023396127.db2.gz HHZJEIAEIVKYBC-SFHVURJKSA-N 0 3 327.424 4.103 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1cnn(Cc2ccccc2)c1 ZINC000390408594 1023520523 /nfs/dbraw/zinc/52/05/23/1023520523.db2.gz DGSGZJNOSQAJKY-UHFFFAOYSA-N 0 3 344.462 4.021 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000311045848 1023527911 /nfs/dbraw/zinc/52/79/11/1023527911.db2.gz SYYJTYDWEZMDIS-UHFFFAOYSA-N 0 3 337.394 4.400 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC000756593459 1023705354 /nfs/dbraw/zinc/70/53/54/1023705354.db2.gz ZGIAXSNVODDFER-DIFFPNOSSA-N 0 3 340.250 4.392 20 10 EICDHN COc1ccc(CN[C@@H](C)c2cc3ccccc3o2)c(O)c1OC ZINC000893933931 1033178329 /nfs/dbraw/zinc/17/83/29/1033178329.db2.gz SWXUYUYVYVZTLJ-LBPRGKRZSA-N 0 3 327.380 4.006 20 10 EICDHN Brc1cccc2c1CC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000236585420 1025246742 /nfs/dbraw/zinc/24/67/42/1025246742.db2.gz CVUJVNYUFSWJGA-QGZVFWFLSA-N 0 3 344.252 4.161 20 10 EICDHN CC[C@H]([NH2+]Cc1sccc1Br)c1ccccc1[O-] ZINC000148049204 1027861124 /nfs/dbraw/zinc/86/11/24/1027861124.db2.gz FTVPYJGNFLAJSC-LBPRGKRZSA-N 0 3 326.259 4.457 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1ccc(N(C)C(C)C)nc1 ZINC000475192659 1029397359 /nfs/dbraw/zinc/39/73/59/1029397359.db2.gz AOJDOLGYJCHJDA-UHFFFAOYSA-N 0 3 336.483 4.016 20 10 EICDHN C[C@H](NCc1cccc(Cl)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000132510595 1029474581 /nfs/dbraw/zinc/47/45/81/1029474581.db2.gz ZAHIWDFFZUDVQZ-AWEZNQCLSA-N 0 3 348.849 4.167 20 10 EICDHN COCC[C@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000840835832 1029530755 /nfs/dbraw/zinc/53/07/55/1029530755.db2.gz QZNZUACSDGZCBP-FXAWDEMLSA-N 0 3 327.468 4.328 20 10 EICDHN COc1ccc([C@@H](NCc2ccccc2O)c2ccc(F)cc2)cc1 ZINC000237276603 1029634831 /nfs/dbraw/zinc/63/48/31/1029634831.db2.gz OOSXTEXAJKBERT-NRFANRHFSA-N 0 3 337.394 4.419 20 10 EICDHN CCC(CC)(C[NH2+][C@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000310058391 1031008676 /nfs/dbraw/zinc/00/86/76/1031008676.db2.gz TXLHDPABBQAIHP-CQSZACIVSA-N 0 3 336.476 4.126 20 10 EICDHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000171133219 1031191203 /nfs/dbraw/zinc/19/12/03/1031191203.db2.gz FPXUNMXTGRXZIW-LJQANCHMSA-N 0 3 346.421 4.042 20 10 EICDHN COc1ccc2[nH]cc(C3CC[NH+](Cc4ccccc4[O-])CC3)c2c1 ZINC000179563105 1031210175 /nfs/dbraw/zinc/21/01/75/1031210175.db2.gz GISHMZHBMRUMHT-UHFFFAOYSA-N 0 3 336.435 4.262 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)c1[O-] ZINC000761198863 1036014895 /nfs/dbraw/zinc/01/48/95/1036014895.db2.gz WIMAUTCYWIWJNS-UHFFFAOYSA-N 0 3 348.805 4.007 20 10 EICDHN Cc1cccc(CN[C@@H]2CCOc3ccc(Br)cc32)c1O ZINC000272094639 1037097224 /nfs/dbraw/zinc/09/72/24/1037097224.db2.gz NVYFLXRMJZXUAT-OAHLLOKOSA-N 0 3 348.240 4.077 20 10 EICDHN CC[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000152600476 1042914167 /nfs/dbraw/zinc/91/41/67/1042914167.db2.gz KJHZHVCSOWSCHV-JOCHJYFZSA-N 0 3 348.494 4.238 20 10 EICDHN COc1cccc([O-])c1C[NH+]1CCC2(CC1)c1ccccc1N=C2C ZINC000895129910 1043134464 /nfs/dbraw/zinc/13/44/64/1043134464.db2.gz CVFKBRVIZZVYDU-UHFFFAOYSA-N 0 3 336.435 4.041 20 10 EICDHN FC(F)(F)c1cccc(C2(NCc3ccc4c(c3)CCO4)CC2)c1 ZINC000728063311 1043346491 /nfs/dbraw/zinc/34/64/91/1043346491.db2.gz HWAGBJXYYALILG-UHFFFAOYSA-N 0 3 333.353 4.419 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000733328240 1044194237 /nfs/dbraw/zinc/19/42/37/1044194237.db2.gz SEMQOSNXINJJCA-HSZRJFAPSA-N 0 3 345.442 4.463 20 10 EICDHN CC[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766138500 1044330831 /nfs/dbraw/zinc/33/08/31/1044330831.db2.gz OLSXYZRBLHKFKX-YADHBBJMSA-N 0 3 348.494 4.431 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000734847610 1044700658 /nfs/dbraw/zinc/70/06/58/1044700658.db2.gz QGGSLWNVCRRQEP-HXUWFJFHSA-N 0 3 337.394 4.022 20 10 EICDHN OC[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1cccc(F)c1 ZINC000734847610 1044700668 /nfs/dbraw/zinc/70/06/68/1044700668.db2.gz QGGSLWNVCRRQEP-HXUWFJFHSA-N 0 3 337.394 4.022 20 10 EICDHN C[C@@H](NCc1ccnc(OC2CCCC2)c1)c1ccc(N(C)C)cc1 ZINC000153345835 1044746238 /nfs/dbraw/zinc/74/62/38/1044746238.db2.gz VFKQFUYYNGQHEV-MRXNPFEDSA-N 0 3 339.483 4.320 20 10 EICDHN CN(C)c1ccccc1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000741158008 1045276645 /nfs/dbraw/zinc/27/66/45/1045276645.db2.gz WPNLRMSISZPORF-UHFFFAOYSA-N 0 3 332.447 4.415 20 10 EICDHN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000237364878 1045382832 /nfs/dbraw/zinc/38/28/32/1045382832.db2.gz QUMVSUQEVMMGNO-HUUCEWRRSA-N 0 3 325.456 4.123 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1nccc2ccccc21)C[C@@H]1CCCO1 ZINC000768161574 1045729042 /nfs/dbraw/zinc/72/90/42/1045729042.db2.gz HEKITJQOXPPKIR-IBGZPJMESA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1nccc2ccccc21)C[C@@H]1CCCO1 ZINC000768161574 1045729030 /nfs/dbraw/zinc/72/90/30/1045729030.db2.gz HEKITJQOXPPKIR-IBGZPJMESA-N 0 3 348.446 4.122 20 10 EICDHN C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000768163604 1045729778 /nfs/dbraw/zinc/72/97/78/1045729778.db2.gz ZVEQHUUYSRIBMJ-SZVBFZGTSA-N 0 3 341.451 4.290 20 10 EICDHN FC(F)(F)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768241148 1045751881 /nfs/dbraw/zinc/75/18/81/1045751881.db2.gz KNTLTFKBXMHFRV-UHFFFAOYSA-N 0 3 326.406 4.451 20 10 EICDHN CCOc1ccc(O)c(CN2CCSC[C@H]2c2ccccc2)c1 ZINC000768248943 1045764171 /nfs/dbraw/zinc/76/41/71/1045764171.db2.gz LCEQFSOSTKLSQH-SFHVURJKSA-N 0 3 329.465 4.081 20 10 EICDHN COc1cc(O)c(CN2CCC[C@H]2c2ccccc2Cl)cc1OC ZINC000768441681 1045807350 /nfs/dbraw/zinc/80/73/50/1045807350.db2.gz FOMAARVWYNLMAF-INIZCTEOSA-N 0 3 347.842 4.400 20 10 EICDHN COc1cc(O)c(CN2CCC[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000768440892 1045807443 /nfs/dbraw/zinc/80/74/43/1045807443.db2.gz HMDOAKXQJABUKJ-INIZCTEOSA-N 0 3 347.842 4.400 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000768537736 1045816422 /nfs/dbraw/zinc/81/64/22/1045816422.db2.gz WVVBFOPRDJRGNY-NRFANRHFSA-N 0 3 337.394 4.022 20 10 EICDHN CCOc1cccc(CN(C)Cc2cccc(C(F)(F)F)c2)c1O ZINC000768910553 1045858705 /nfs/dbraw/zinc/85/87/05/1045858705.db2.gz FWFLECMNCOXUGI-UHFFFAOYSA-N 0 3 339.357 4.442 20 10 EICDHN Cc1cc(O)c(CN2CCC[C@@H]2c2nc3ccccc3n2C)cc1C ZINC000768918025 1045860123 /nfs/dbraw/zinc/86/01/23/1045860123.db2.gz FMXOYLRLZFYQKG-LJQANCHMSA-N 0 3 335.451 4.233 20 10 EICDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(N(C)C(C)C)nc1 ZINC000792156420 1045867939 /nfs/dbraw/zinc/86/79/39/1045867939.db2.gz DFINZIGCOYXQAT-UHFFFAOYSA-N 0 3 340.515 4.014 20 10 EICDHN COC1(C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCCCC1 ZINC000792162495 1045869927 /nfs/dbraw/zinc/86/99/27/1045869927.db2.gz RTHPBNIKANPLML-UHFFFAOYSA-N 0 3 329.440 4.337 20 10 EICDHN COC1(C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCCCC1 ZINC000792162495 1045869930 /nfs/dbraw/zinc/86/99/30/1045869930.db2.gz RTHPBNIKANPLML-UHFFFAOYSA-N 0 3 329.440 4.337 20 10 EICDHN COc1cc(C[N@H+](Cc2cc(Cl)cc(C)c2[O-])C2CC2)ccc1O ZINC000792175007 1045875190 /nfs/dbraw/zinc/87/51/90/1045875190.db2.gz OTEQGDLYLDNBOV-UHFFFAOYSA-N 0 3 347.842 4.233 20 10 EICDHN COc1cc(C[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C2CC2)ccc1O ZINC000792175007 1045875196 /nfs/dbraw/zinc/87/51/96/1045875196.db2.gz OTEQGDLYLDNBOV-UHFFFAOYSA-N 0 3 347.842 4.233 20 10 EICDHN CCOc1ccc(CN[C@@H](C)c2ccc(N(C)CC)cc2)cc1OC ZINC000153836734 1045899446 /nfs/dbraw/zinc/89/94/46/1045899446.db2.gz GDSPMNIBOMOASC-INIZCTEOSA-N 0 3 342.483 4.401 20 10 EICDHN COc1cccc([O-])c1C[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000769462874 1045982416 /nfs/dbraw/zinc/98/24/16/1045982416.db2.gz LHHVMUFHBALTSW-IFXJQAMLSA-N 0 3 329.465 4.079 20 10 EICDHN COc1cccc([O-])c1C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000769462874 1045982406 /nfs/dbraw/zinc/98/24/06/1045982406.db2.gz LHHVMUFHBALTSW-IFXJQAMLSA-N 0 3 329.465 4.079 20 10 EICDHN C[C@@H](Cc1ccccc1Cl)N1CCCc2cc(O)c(O)cc2C1 ZINC001170288903 1045989882 /nfs/dbraw/zinc/98/98/82/1045989882.db2.gz ZAZIMZIZANAHLZ-ZDUSSCGKSA-N 0 3 331.843 4.131 20 10 EICDHN CC(C)(C)c1cc(C[NH2+]Cc2ncccc2[O-])c(O)c(C(C)(C)C)c1 ZINC000793254394 1046191685 /nfs/dbraw/zinc/19/16/85/1046191685.db2.gz ACXQEYCTIWCSFF-UHFFFAOYSA-N 0 3 342.483 4.378 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c([O-])c1 ZINC000771933513 1046526668 /nfs/dbraw/zinc/52/66/68/1046526668.db2.gz KRRONWHJHAUWKA-LJQANCHMSA-N 0 3 327.424 4.137 20 10 EICDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)c([O-])c1 ZINC000771933513 1046526678 /nfs/dbraw/zinc/52/66/78/1046526678.db2.gz KRRONWHJHAUWKA-LJQANCHMSA-N 0 3 327.424 4.137 20 10 EICDHN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cc(C)ccc1OC ZINC000772444958 1046639102 /nfs/dbraw/zinc/63/91/02/1046639102.db2.gz FWPDIBJPEQAFCJ-GOSISDBHSA-N 0 3 330.447 4.450 20 10 EICDHN COC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000786915993 1046881004 /nfs/dbraw/zinc/88/10/04/1046881004.db2.gz GJHWHLJIMSASIR-KUHUBIRLSA-N 0 3 332.875 4.444 20 10 EICDHN CCOc1ccc(O)c(CN(C)[C@H](COC)c2ccc(Cl)cc2)c1 ZINC000787333632 1046981750 /nfs/dbraw/zinc/98/17/50/1046981750.db2.gz WYKCKRDJXYRNRS-GOSISDBHSA-N 0 3 349.858 4.264 20 10 EICDHN CCOc1cccc(CN(C)[C@@H](COC)c2ccc(Cl)cc2)c1O ZINC000787332748 1046982052 /nfs/dbraw/zinc/98/20/52/1046982052.db2.gz ODODYRIJWMNOGJ-KRWDZBQOSA-N 0 3 349.858 4.264 20 10 EICDHN CCCN1CC[C@H](C[NH2+][C@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133003 1047125729 /nfs/dbraw/zinc/12/57/29/1047125729.db2.gz FDWOAKMTYPMYTK-MLGOLLRUSA-N 0 3 345.314 4.472 20 10 EICDHN CC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(C)cc1[O-] ZINC000806179778 1047202257 /nfs/dbraw/zinc/20/22/57/1047202257.db2.gz HKCIOBZLMQWBNS-QAPCUYQASA-N 0 3 333.859 4.171 20 10 EICDHN CC(C)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H](O)c1ccccc1 ZINC000788622591 1047253988 /nfs/dbraw/zinc/25/39/88/1047253988.db2.gz SBJAQJDBKNTZGE-PWSRMUCDSA-N 0 3 343.442 4.427 20 10 EICDHN CCOc1ccc(C[NH2+]C2(CCOCc3ccccc3)CC2)c([O-])c1 ZINC000760443641 1047371694 /nfs/dbraw/zinc/37/16/94/1047371694.db2.gz SQXLFLFLQZJVOL-UHFFFAOYSA-N 0 3 341.451 4.020 20 10 EICDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000237538177 1047866560 /nfs/dbraw/zinc/86/65/60/1047866560.db2.gz CMWYPMFIINLKTD-KXBFYZLASA-N 0 3 344.886 4.188 20 10 EICDHN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000824462955 1047877309 /nfs/dbraw/zinc/87/73/09/1047877309.db2.gz TXESTJHKNOVZPM-INIZCTEOSA-N 0 3 339.439 4.436 20 10 EICDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000808447466 1047910705 /nfs/dbraw/zinc/91/07/05/1047910705.db2.gz ZUUDELBDAGNZQJ-OPAMFIHVSA-N 0 3 333.431 4.271 20 10 EICDHN CN(C)c1ccc(CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000808448450 1047911480 /nfs/dbraw/zinc/91/14/80/1047911480.db2.gz DRAUAAFJZBDXEY-XZOQPEGZSA-N 0 3 346.474 4.317 20 10 EICDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](O)c1ccccc1 ZINC000808447467 1047912785 /nfs/dbraw/zinc/91/27/85/1047912785.db2.gz ZUUDELBDAGNZQJ-ZHRRBRCNSA-N 0 3 333.431 4.271 20 10 EICDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066054 1047941739 /nfs/dbraw/zinc/94/17/39/1047941739.db2.gz GGSNPLSNAIYWAK-ZDUSSCGKSA-N 0 3 338.234 4.052 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824892729 1047993329 /nfs/dbraw/zinc/99/33/29/1047993329.db2.gz AKYXQJCDKBRYMY-UXHICEINSA-N 0 3 337.463 4.327 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824892729 1047993349 /nfs/dbraw/zinc/99/33/49/1047993349.db2.gz AKYXQJCDKBRYMY-UXHICEINSA-N 0 3 337.463 4.327 20 10 EICDHN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808673251 1048045408 /nfs/dbraw/zinc/04/54/08/1048045408.db2.gz MJIMCVSVIZCNPZ-LBPRGKRZSA-N 0 3 332.831 4.163 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)c1[O-] ZINC000808707297 1048053237 /nfs/dbraw/zinc/05/32/37/1048053237.db2.gz KMAHLTZGOQPATJ-BZNIZROVSA-N 0 3 340.250 4.392 20 10 EICDHN Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706289 1048053879 /nfs/dbraw/zinc/05/38/79/1048053879.db2.gz GQRGSZPJMQSXLV-BXUZGUMPSA-N 0 3 325.861 4.108 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)[C@H](C)c2ccccc2)c1[O-] ZINC000808707760 1048055582 /nfs/dbraw/zinc/05/55/82/1048055582.db2.gz XZJGIXWVGHCUDG-QWQRMKEZSA-N 0 3 333.859 4.169 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c1[O-] ZINC000808708916 1048056615 /nfs/dbraw/zinc/05/66/15/1048056615.db2.gz RVZGJEBZXWWCMW-FZKQIMNGSA-N 0 3 330.859 4.191 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)c1[O-] ZINC000808713592 1048058250 /nfs/dbraw/zinc/05/82/50/1048058250.db2.gz JDPOLTYSSONLDK-CYBMUJFWSA-N 0 3 343.858 4.134 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1[O-] ZINC000808695279 1048076350 /nfs/dbraw/zinc/07/63/50/1048076350.db2.gz KLZHTBODDKCBJQ-WDEREUQCSA-N 0 3 345.830 4.348 20 10 EICDHN CCC[C@@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOC1 ZINC000809703481 1048489239 /nfs/dbraw/zinc/48/92/39/1048489239.db2.gz KOEWOMQKGXAMTR-OAQYLSRUSA-N 0 3 341.451 4.020 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000815553555 1048504941 /nfs/dbraw/zinc/50/49/41/1048504941.db2.gz CRPAAOBFVWPDLZ-JTHBVZDNSA-N 0 3 347.458 4.389 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCCO1 ZINC000815565844 1048511471 /nfs/dbraw/zinc/51/14/71/1048511471.db2.gz BOOHTNFAGVPBBW-ICSRJNTNSA-N 0 3 325.452 4.225 20 10 EICDHN C[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])N(C)C1CC1 ZINC000815576142 1048516841 /nfs/dbraw/zinc/51/68/41/1048516841.db2.gz KNHFIUYWPAAXNK-LAUBAEHRSA-N 0 3 338.495 4.138 20 10 EICDHN C[C@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCOC1 ZINC000815578989 1048518104 /nfs/dbraw/zinc/51/81/04/1048518104.db2.gz BZHZARVAUQJGCZ-PZJWPPBQSA-N 0 3 325.452 4.082 20 10 EICDHN C[C@@H]1CCCN1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815585174 1048522599 /nfs/dbraw/zinc/52/25/99/1048522599.db2.gz ZZFQUPUZZPGZBZ-WIYYLYMNSA-N 0 3 338.495 4.140 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000815588324 1048524730 /nfs/dbraw/zinc/52/47/30/1048524730.db2.gz KQUQEKSTCOJYQX-SVFBPWRDSA-N 0 3 339.479 4.207 20 10 EICDHN Cc1cc(Br)cc(CN(Cc2cccnc2)C2CC2)c1O ZINC000809763546 1048525811 /nfs/dbraw/zinc/52/58/11/1048525811.db2.gz OUAAKBBQQMZBFX-UHFFFAOYSA-N 0 3 347.256 4.023 20 10 EICDHN Cc1cc(C[C@@H](C)[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])[nH]n1 ZINC000815596898 1048530619 /nfs/dbraw/zinc/53/06/19/1048530619.db2.gz HFKFPRRWAVUPTG-IIBYNOLFSA-N 0 3 349.478 4.318 20 10 EICDHN Cc1cc(C[C@@H](C)[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])n[nH]1 ZINC000815596898 1048530633 /nfs/dbraw/zinc/53/06/33/1048530633.db2.gz HFKFPRRWAVUPTG-IIBYNOLFSA-N 0 3 349.478 4.318 20 10 EICDHN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595066 1048530759 /nfs/dbraw/zinc/53/07/59/1048530759.db2.gz GUTKWTAYITWJIS-XLIONFOSSA-N 0 3 341.495 4.453 20 10 EICDHN Cc1cc(C[C@H](C)[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])[nH]n1 ZINC000815596896 1048531015 /nfs/dbraw/zinc/53/10/15/1048531015.db2.gz HFKFPRRWAVUPTG-HRAATJIYSA-N 0 3 349.478 4.318 20 10 EICDHN Cc1cc(C[C@H](C)[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])n[nH]1 ZINC000815596896 1048531025 /nfs/dbraw/zinc/53/10/25/1048531025.db2.gz HFKFPRRWAVUPTG-HRAATJIYSA-N 0 3 349.478 4.318 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@@H](CC)c2cccc(OC)c2)c([O-])c1 ZINC000809784291 1048533079 /nfs/dbraw/zinc/53/30/79/1048533079.db2.gz SRQQYDFOCDQITO-IBGZPJMESA-N 0 3 329.440 4.383 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@@H](CC)c2cccc(OC)c2)c([O-])c1 ZINC000809784291 1048533094 /nfs/dbraw/zinc/53/30/94/1048533094.db2.gz SRQQYDFOCDQITO-IBGZPJMESA-N 0 3 329.440 4.383 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1(O)CCCCC1 ZINC000815572370 1048534163 /nfs/dbraw/zinc/53/41/63/1048534163.db2.gz BIWVQIRENNTPDF-FQEVSTJZSA-N 0 3 339.479 4.351 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1[O-] ZINC000809790509 1048534845 /nfs/dbraw/zinc/53/48/45/1048534845.db2.gz IILXPOUWFLPGPX-IAGOWNOFSA-N 0 3 347.842 4.064 20 10 EICDHN CCC[C@@]1(CO)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809790982 1048536811 /nfs/dbraw/zinc/53/68/11/1048536811.db2.gz RGYMAPFCOGJFMV-OAQYLSRUSA-N 0 3 325.452 4.044 20 10 EICDHN CCC[C@@]1(CO)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809790982 1048536826 /nfs/dbraw/zinc/53/68/26/1048536826.db2.gz RGYMAPFCOGJFMV-OAQYLSRUSA-N 0 3 325.452 4.044 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000815615717 1048542321 /nfs/dbraw/zinc/54/23/21/1048542321.db2.gz VYSYRZMLTKBXRD-QUCCMNQESA-N 0 3 325.452 4.082 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccccc1[O-] ZINC000815648451 1048569635 /nfs/dbraw/zinc/56/96/35/1048569635.db2.gz MZHMHZMYSHMBAB-UONOGXRCSA-N 0 3 325.387 4.129 20 10 EICDHN CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207175 1048703822 /nfs/dbraw/zinc/70/38/22/1048703822.db2.gz DTBMBQAGPGAJLP-CQSZACIVSA-N 0 3 332.410 4.040 20 10 EICDHN CC[C@@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846058314 1048795103 /nfs/dbraw/zinc/79/51/03/1048795103.db2.gz PWBSZVYPWFVMMY-MOPGFXCFSA-N 0 3 335.451 4.150 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(F)(F)F)c1[O-] ZINC000779027040 1048810639 /nfs/dbraw/zinc/81/06/39/1048810639.db2.gz IGPJHVSPVYBDNJ-MRVPVSSYSA-N 0 3 326.156 4.066 20 10 EICDHN COC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846164947 1048827115 /nfs/dbraw/zinc/82/71/15/1048827115.db2.gz JJGTUBATYHZVRD-BLLLJJGKSA-N 0 3 335.831 4.093 20 10 EICDHN Cc1ccc([C@@H](C)N[C@@H](Cc2ccccc2)c2nccn2C)c(O)c1C ZINC000846208151 1048833271 /nfs/dbraw/zinc/83/32/71/1048833271.db2.gz WBPFJRGVVGQTCT-XLIONFOSSA-N 0 3 349.478 4.377 20 10 EICDHN Cc1ccc(O)c([C@H](C)N[C@@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846207923 1048833303 /nfs/dbraw/zinc/83/33/03/1048833303.db2.gz VGLMVADQEVWSOR-LPHOPBHVSA-N 0 3 335.451 4.069 20 10 EICDHN COc1cc(O)c(CN2CC3(CCC3)[C@@H]2c2ccccc2)cc1OC ZINC000816630831 1048838245 /nfs/dbraw/zinc/83/82/45/1048838245.db2.gz SYJIQFVVWPXIMW-FQEVSTJZSA-N 0 3 339.435 4.137 20 10 EICDHN COc1ccc(N2CCC(N[C@@H](C)c3ccncc3Cl)CC2)cc1 ZINC000817574969 1049006534 /nfs/dbraw/zinc/00/65/34/1049006534.db2.gz STECBAWSLPHIMV-AWEZNQCLSA-N 0 3 345.874 4.063 20 10 EICDHN CSc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000811454143 1049068810 /nfs/dbraw/zinc/06/88/10/1049068810.db2.gz WLTNSZHIIPICTK-OAHLLOKOSA-N 0 3 349.521 4.357 20 10 EICDHN CSc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000811454142 1049069969 /nfs/dbraw/zinc/06/99/69/1049069969.db2.gz WLTNSZHIIPICTK-HNNXBMFYSA-N 0 3 349.521 4.357 20 10 EICDHN COc1ccc(N2CCCN(Cc3ccc(SC)s3)CC2)cc1 ZINC000811458286 1049072067 /nfs/dbraw/zinc/07/20/67/1049072067.db2.gz SNBLDINIJNGLBZ-UHFFFAOYSA-N 0 3 348.537 4.191 20 10 EICDHN COc1cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781164 1049264564 /nfs/dbraw/zinc/26/45/64/1049264564.db2.gz ZFQIASWOEGPDNC-MJGOQNOKSA-N 0 3 347.499 4.088 20 10 EICDHN C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)c1ccccc1[O-] ZINC000282797385 1049463610 /nfs/dbraw/zinc/46/36/10/1049463610.db2.gz QPKHADOTPFOCHC-ABAIWWIYSA-N 0 3 348.240 4.329 20 10 EICDHN Cc1ccc([C@H](C)NCc2ccc(N(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000773001431 1049516825 /nfs/dbraw/zinc/51/68/25/1049516825.db2.gz SJAYLPBLVRZFOG-HNNXBMFYSA-N 0 3 327.428 4.128 20 10 EICDHN COc1ccc2oc(CN[C@@H](C)c3cc(OC)ccc3O)cc2c1 ZINC000813331392 1049752883 /nfs/dbraw/zinc/75/28/83/1049752883.db2.gz NSOWRXIIBFCMHD-LBPRGKRZSA-N 0 3 327.380 4.006 20 10 EICDHN C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccccc1[O-] ZINC001172577962 1049951775 /nfs/dbraw/zinc/95/17/75/1049951775.db2.gz XSSUTUDOHLQAOF-LLVKDONJSA-N 0 3 325.786 4.435 20 10 EICDHN CCCN(CCC)c1ccc(CN[C@@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC001178369658 1050447611 /nfs/dbraw/zinc/44/76/11/1050447611.db2.gz MWRLOQHFAVUXJD-DLBZAZTESA-N 0 3 346.437 4.104 20 10 EICDHN CN(C)C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC001178566308 1050509031 /nfs/dbraw/zinc/50/90/31/1050509031.db2.gz XGTLNXKBSLLCEP-IBGZPJMESA-N 0 3 344.886 4.058 20 10 EICDHN CCC[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](O)c1ccccc1 ZINC001178634662 1050523153 /nfs/dbraw/zinc/52/31/53/1050523153.db2.gz QDMOQDQKWHGBEL-ICSRJNTNSA-N 0 3 348.437 4.023 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2OCC(C)C)c1 ZINC000182464334 1050687301 /nfs/dbraw/zinc/68/73/01/1050687301.db2.gz SAXCYDZCSSLYJM-OAHLLOKOSA-N 0 3 329.440 4.286 20 10 EICDHN COc1cc(C)c(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c([O-])c1 ZINC001179874465 1050812610 /nfs/dbraw/zinc/81/26/10/1050812610.db2.gz ZVPIADRJLUFQNY-LPHOPBHVSA-N 0 3 325.452 4.335 20 10 EICDHN COc1cc(C)c(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c([O-])c1 ZINC001179874465 1050812616 /nfs/dbraw/zinc/81/26/16/1050812616.db2.gz ZVPIADRJLUFQNY-LPHOPBHVSA-N 0 3 325.452 4.335 20 10 EICDHN Cc1ccc(C)c(OC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC001180039379 1050862713 /nfs/dbraw/zinc/86/27/13/1050862713.db2.gz VNINWNRCMFENLI-UHFFFAOYSA-N 0 3 329.415 4.192 20 10 EICDHN CCN(CC)CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])CC(C)C ZINC001180178369 1050895272 /nfs/dbraw/zinc/89/52/72/1050895272.db2.gz VVPXRBHPSWNULS-UHFFFAOYSA-N 0 3 326.912 4.154 20 10 EICDHN CCN(CC)CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])CC(C)C ZINC001180178369 1050895276 /nfs/dbraw/zinc/89/52/76/1050895276.db2.gz VVPXRBHPSWNULS-UHFFFAOYSA-N 0 3 326.912 4.154 20 10 EICDHN [O-]c1c(C[N@@H+]2CCCN(Cc3ccccc3)CC2)ccc2ccccc21 ZINC001180297152 1050959419 /nfs/dbraw/zinc/95/94/19/1050959419.db2.gz QXJOFMWZGPYRJO-UHFFFAOYSA-N 0 3 346.474 4.253 20 10 EICDHN [O-]c1c(C[N@H+]2CCCN(Cc3ccccc3)CC2)ccc2ccccc21 ZINC001180297152 1050959431 /nfs/dbraw/zinc/95/94/31/1050959431.db2.gz QXJOFMWZGPYRJO-UHFFFAOYSA-N 0 3 346.474 4.253 20 10 EICDHN CCN(C)c1ccc(CN2CCC[C@H]2c2ccc(COC)o2)cc1 ZINC000773862420 1051022587 /nfs/dbraw/zinc/02/25/87/1051022587.db2.gz YQBYOSFTXWDKJQ-IBGZPJMESA-N 0 3 328.456 4.219 20 10 EICDHN CN(C)c1ccc(F)cc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001181555332 1051251479 /nfs/dbraw/zinc/25/14/79/1051251479.db2.gz KVINWGRWWJQYGV-UHFFFAOYSA-N 0 3 341.474 4.124 20 10 EICDHN C[N@H+](CCc1ccccn1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183735163 1051323864 /nfs/dbraw/zinc/32/38/64/1051323864.db2.gz PXYRQKVHXLOTRR-UHFFFAOYSA-N 0 3 348.446 4.041 20 10 EICDHN C[N@@H+](CCc1ccccn1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183735163 1051323877 /nfs/dbraw/zinc/32/38/77/1051323877.db2.gz PXYRQKVHXLOTRR-UHFFFAOYSA-N 0 3 348.446 4.041 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccccc1[O-] ZINC000775483204 1051551634 /nfs/dbraw/zinc/55/16/34/1051551634.db2.gz OXNFZFCZMRCKQU-ROUUACIJSA-N 0 3 332.875 4.389 20 10 EICDHN C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001182452508 1051580542 /nfs/dbraw/zinc/58/05/42/1051580542.db2.gz OFYYEMKTNZJHGQ-IXDOHACOSA-N 0 3 325.452 4.448 20 10 EICDHN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001182452508 1051580563 /nfs/dbraw/zinc/58/05/63/1051580563.db2.gz OFYYEMKTNZJHGQ-IXDOHACOSA-N 0 3 325.452 4.448 20 10 EICDHN CC[C@H]([NH2+][C@H](C)[C@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000775527989 1051718513 /nfs/dbraw/zinc/71/85/13/1051718513.db2.gz WZAOVJXNEHWZPG-PSZVPEGOSA-N 0 3 337.822 4.348 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1ccccc1[O-] ZINC000775527647 1051721915 /nfs/dbraw/zinc/72/19/15/1051721915.db2.gz RVAGYKFNIBIHJE-HOCLYGCPSA-N 0 3 340.250 4.473 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)c2c1c(F)ccc2[O-] ZINC000775568470 1051863334 /nfs/dbraw/zinc/86/33/34/1051863334.db2.gz LHWGEPIMVFJWDF-MLGOLLRUSA-N 0 3 329.415 4.097 20 10 EICDHN C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cc(F)ccc1[O-] ZINC000184857302 1052265900 /nfs/dbraw/zinc/26/59/00/1052265900.db2.gz YASVDIZVIBMWPD-WMLDXEAASA-N 0 3 332.419 4.002 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000185073693 1052393830 /nfs/dbraw/zinc/39/38/30/1052393830.db2.gz CGOBFYBUQCBQPF-INIZCTEOSA-N 0 3 342.458 4.155 20 10 EICDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000185157404 1052494483 /nfs/dbraw/zinc/49/44/83/1052494483.db2.gz HFBAULBZGABDHW-ZIAGYGMSSA-N 0 3 342.414 4.070 20 10 EICDHN C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1[O-] ZINC000185245834 1052549643 /nfs/dbraw/zinc/54/96/43/1052549643.db2.gz TWAJGBFQALPOCR-GJZGRUSLSA-N 0 3 348.487 4.156 20 10 EICDHN COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(C(F)(F)F)c1 ZINC000185309900 1052575821 /nfs/dbraw/zinc/57/58/21/1052575821.db2.gz UZBGZLCXUBVQBT-JTQLQIEISA-N 0 3 343.320 4.410 20 10 EICDHN C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cc(F)ccc1[O-] ZINC000185318619 1052580067 /nfs/dbraw/zinc/58/00/67/1052580067.db2.gz DMYCJRMQUXZFJW-LBPRGKRZSA-N 0 3 334.460 4.150 20 10 EICDHN C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185469856 1052611125 /nfs/dbraw/zinc/61/11/25/1052611125.db2.gz LWFQRFOSBXSWAG-CVEARBPZSA-N 0 3 342.458 4.408 20 10 EICDHN COc1cc(CN[C@@H](C)c2cccc(O)c2)c(O)c(C(C)(C)C)c1 ZINC000850118848 1053076542 /nfs/dbraw/zinc/07/65/42/1053076542.db2.gz KUNBJZZFJAIVNN-ZDUSSCGKSA-N 0 3 329.440 4.255 20 10 EICDHN COc1cc(CN[C@@H](C)c2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850137360 1053078950 /nfs/dbraw/zinc/07/89/50/1053078950.db2.gz NRYZLLQNXJEZSV-NSHDSACASA-N 0 3 332.444 4.154 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2cc3ccccc3c(Cl)n2)c1 ZINC000794563045 1053080222 /nfs/dbraw/zinc/08/02/22/1053080222.db2.gz SSLGIWPDVDRQGP-GFCCVEGCSA-N 0 3 342.826 4.453 20 10 EICDHN COc1ccc(CNCc2cc(OC)cc(C(C)(C)C)c2O)c(F)c1 ZINC000850185482 1053082728 /nfs/dbraw/zinc/08/27/28/1053082728.db2.gz HMFABNDAQKORRM-UHFFFAOYSA-N 0 3 347.430 4.136 20 10 EICDHN Cc1cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862758 1053129070 /nfs/dbraw/zinc/12/90/70/1053129070.db2.gz DYUZZHVSFNAZIM-LEWJYISDSA-N 0 3 342.527 4.375 20 10 EICDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(C(F)F)nc1 ZINC000850422892 1053195946 /nfs/dbraw/zinc/19/59/46/1053195946.db2.gz GULUUJBESHANGA-CQSZACIVSA-N 0 3 331.410 4.470 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)c2ccccn2)c1[O-] ZINC000850482217 1053252561 /nfs/dbraw/zinc/25/25/61/1053252561.db2.gz MVXDOESSUVPULJ-CHWSQXEVSA-N 0 3 349.272 4.312 20 10 EICDHN COc1ccc(-c2cc(CN[C@H](C)c3ccc(C)cc3O)on2)cc1 ZINC000850524559 1053287044 /nfs/dbraw/zinc/28/70/44/1053287044.db2.gz CGPKUVPPYWPNAS-CQSZACIVSA-N 0 3 338.407 4.215 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794794786 1053380027 /nfs/dbraw/zinc/38/00/27/1053380027.db2.gz GFPGWZGWBRPVTB-MOPGFXCFSA-N 0 3 330.447 4.183 20 10 EICDHN CCC(=O)Nc1cccc(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])c1 ZINC000794795924 1053381561 /nfs/dbraw/zinc/38/15/61/1053381561.db2.gz JRYXRHREVBQAAE-SFHVURJKSA-N 0 3 326.440 4.290 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C)cc1[O-] ZINC000794793389 1053387547 /nfs/dbraw/zinc/38/75/47/1053387547.db2.gz BEEURHIOASLZQU-RDTXWAMCSA-N 0 3 338.451 4.387 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794794384 1053388264 /nfs/dbraw/zinc/38/82/64/1053388264.db2.gz MXHLITCALIKGGI-PBHICJAKSA-N 0 3 327.424 4.274 20 10 EICDHN CC[C@@H]([NH2+]CCCOCc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794803564 1053394240 /nfs/dbraw/zinc/39/42/40/1053394240.db2.gz ALJIFFYBZYPPII-HXUWFJFHSA-N 0 3 343.467 4.357 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(C)cc1[O-] ZINC000794807799 1053415857 /nfs/dbraw/zinc/41/58/57/1053415857.db2.gz LSZIZVQMCRHNPB-MSOLQXFVSA-N 0 3 348.437 4.322 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(C)cc1[O-] ZINC000794815268 1053421981 /nfs/dbraw/zinc/42/19/81/1053421981.db2.gz JPQRSLNPLUXAOW-AEFFLSMTSA-N 0 3 337.822 4.267 20 10 EICDHN CC[C@@H]([NH2+]CCc1c[nH]c2ccc(OC)cc12)c1ccc(C)cc1[O-] ZINC000794811838 1053430433 /nfs/dbraw/zinc/43/04/33/1053430433.db2.gz ZCJWRVCGHUHCCR-LJQANCHMSA-N 0 3 338.451 4.474 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)cc1[O-] ZINC000794811845 1053430462 /nfs/dbraw/zinc/43/04/62/1053430462.db2.gz ZEMZWZRFIMILKK-DOMZBBRYSA-N 0 3 325.412 4.084 20 10 EICDHN CC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794817650 1053432001 /nfs/dbraw/zinc/43/20/01/1053432001.db2.gz UNVMKLBZSKFTIT-SVFBPWRDSA-N 0 3 343.442 4.047 20 10 EICDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000765246807 1053476179 /nfs/dbraw/zinc/47/61/79/1053476179.db2.gz WNQLGITZRDRDOC-KGLIPLIRSA-N 0 3 345.874 4.084 20 10 EICDHN CN1CCCc2cc(CN[C@H]3CSCCc4ccccc43)ccc21 ZINC000765481727 1053567519 /nfs/dbraw/zinc/56/75/19/1053567519.db2.gz QLLCEZMSYLCDBN-FQEVSTJZSA-N 0 3 338.520 4.189 20 10 EICDHN CCOc1cccc(CN[C@H](CC)c2cccc(OC)c2OC)c1O ZINC000865758475 1053585187 /nfs/dbraw/zinc/58/51/87/1053585187.db2.gz IGDGDLHHPNGBQB-MRXNPFEDSA-N 0 3 345.439 4.049 20 10 EICDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c(C(C)(C)C)n1 ZINC000775692257 1053612324 /nfs/dbraw/zinc/61/23/24/1053612324.db2.gz TYVJUNKDEMNIAW-UHFFFAOYSA-N 0 3 341.499 4.368 20 10 EICDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c(C(C)(C)C)n1 ZINC000775692257 1053612329 /nfs/dbraw/zinc/61/23/29/1053612329.db2.gz TYVJUNKDEMNIAW-UHFFFAOYSA-N 0 3 341.499 4.368 20 10 EICDHN CC[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000866408756 1053716850 /nfs/dbraw/zinc/71/68/50/1053716850.db2.gz DEZKNBKDDUKTJP-SJORKVTESA-N 0 3 337.822 4.349 20 10 EICDHN COc1cccc([C@H](C)NCc2ccsc2C(F)(F)F)c1O ZINC000866405497 1053717466 /nfs/dbraw/zinc/71/74/66/1053717466.db2.gz BXJHPXHIINYALF-VIFPVBQESA-N 0 3 331.359 4.332 20 10 EICDHN C[C@H](NCc1ccnc(F)c1)c1ccc(N2CCCCCC2)cc1 ZINC000866474792 1053743478 /nfs/dbraw/zinc/74/34/78/1053743478.db2.gz SVTLVMNGIKJOND-INIZCTEOSA-N 0 3 327.447 4.452 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485079 1053749908 /nfs/dbraw/zinc/74/99/08/1053749908.db2.gz LIMAOUDZMAHATL-ZIAGYGMSSA-N 0 3 339.439 4.401 20 10 EICDHN CCCC(=O)Nc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921540096 1053753649 /nfs/dbraw/zinc/75/36/49/1053753649.db2.gz JSRUBCPVGFUMGM-UHFFFAOYSA-N 0 3 338.451 4.040 20 10 EICDHN Cc1ccc(O)c([C@H](C)NCc2ccc(OC(F)F)cc2F)c1 ZINC000866542096 1053778160 /nfs/dbraw/zinc/77/81/60/1053778160.db2.gz WHHWAIZWYQBNBS-NSHDSACASA-N 0 3 325.330 4.292 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@H](C)CCc2ccco2)c1[O-] ZINC000775775397 1053919484 /nfs/dbraw/zinc/91/94/84/1053919484.db2.gz YRMWAMUWWZBYJX-GFCCVEGCSA-N 0 3 338.245 4.167 20 10 EICDHN Cc1sc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1C ZINC000775833831 1054111516 /nfs/dbraw/zinc/11/15/16/1054111516.db2.gz MYJSQMSUFHSZKX-AWEZNQCLSA-N 0 3 345.512 4.029 20 10 EICDHN C[C@@H](NCC(=O)Nc1cccc2ccccc21)c1ccc(N(C)C)cc1 ZINC000775836183 1054118840 /nfs/dbraw/zinc/11/88/40/1054118840.db2.gz KMTGIZZCNNOGOK-MRXNPFEDSA-N 0 3 347.462 4.195 20 10 EICDHN C[C@H](NCc1cc(C(F)(F)F)cc(Cl)n1)c1ccccc1O ZINC000872117959 1054398240 /nfs/dbraw/zinc/39/82/40/1054398240.db2.gz XVTRWLYQPOMEAS-VIFPVBQESA-N 0 3 330.737 4.310 20 10 EICDHN C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872128860 1054404146 /nfs/dbraw/zinc/40/41/46/1054404146.db2.gz ZVHGIKICQNWDRJ-MJVIPROJSA-N 0 3 330.359 4.339 20 10 EICDHN C[C@H](N[C@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872128860 1054404148 /nfs/dbraw/zinc/40/41/48/1054404148.db2.gz ZVHGIKICQNWDRJ-MJVIPROJSA-N 0 3 330.359 4.339 20 10 EICDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000872131189 1054406486 /nfs/dbraw/zinc/40/64/86/1054406486.db2.gz XINWHILDBLPXIT-NXEZZACHSA-N 0 3 328.309 4.357 20 10 EICDHN Cc1nccn1CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776010182 1054443596 /nfs/dbraw/zinc/44/35/96/1054443596.db2.gz NAJQZHRKOREDBX-QGZVFWFLSA-N 0 3 335.451 4.161 20 10 EICDHN Cc1nccn1CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776010182 1054443602 /nfs/dbraw/zinc/44/36/02/1054443602.db2.gz NAJQZHRKOREDBX-QGZVFWFLSA-N 0 3 335.451 4.161 20 10 EICDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000124325795 1054472563 /nfs/dbraw/zinc/47/25/63/1054472563.db2.gz NVOIVZRTSUGJAS-GJZGRUSLSA-N 0 3 328.456 4.182 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2ccns2)c1[O-] ZINC000858576503 1054523299 /nfs/dbraw/zinc/52/32/99/1054523299.db2.gz LPIDRYZJMRJGRM-ZJUUUORDSA-N 0 3 341.274 4.331 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)N[C@@H](C)c2ccns2)c1O ZINC000858576503 1054523319 /nfs/dbraw/zinc/52/33/19/1054523319.db2.gz LPIDRYZJMRJGRM-ZJUUUORDSA-N 0 3 341.274 4.331 20 10 EICDHN CO[C@H]1C[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000858593293 1054528393 /nfs/dbraw/zinc/52/83/93/1054528393.db2.gz ZALHUAIOBZVJAK-NSHGMRRFSA-N 0 3 325.452 4.081 20 10 EICDHN COc1cccc(CNC2(c3ccc(F)cc3F)CCCC2)c1O ZINC000124683562 1054594895 /nfs/dbraw/zinc/59/48/95/1054594895.db2.gz SXOAQCSHFJTCPI-UHFFFAOYSA-N 0 3 333.378 4.238 20 10 EICDHN COc1ccc(O)c(CN[C@H](COc2ccccc2)c2ccccc2)c1 ZINC000776174006 1054804187 /nfs/dbraw/zinc/80/41/87/1054804187.db2.gz WFQMQXZGZYJJKP-OAQYLSRUSA-N 0 3 349.430 4.311 20 10 EICDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc(NC(C)C)cc1 ZINC001201497431 1054820361 /nfs/dbraw/zinc/82/03/61/1054820361.db2.gz GXHYWFKXFMRYSY-UHFFFAOYSA-N 0 3 338.499 4.311 20 10 EICDHN COc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)ccc1O ZINC000125947469 1054903862 /nfs/dbraw/zinc/90/38/62/1054903862.db2.gz SXACORXMGFMESG-UHFFFAOYSA-N 0 3 340.467 4.023 20 10 EICDHN Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c([O-])c1 ZINC000877476024 1055060734 /nfs/dbraw/zinc/06/07/34/1055060734.db2.gz RMUMXPDEAXHITH-UHFFFAOYSA-N 0 3 329.415 4.021 20 10 EICDHN Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c([O-])c1 ZINC000877476024 1055060747 /nfs/dbraw/zinc/06/07/47/1055060747.db2.gz RMUMXPDEAXHITH-UHFFFAOYSA-N 0 3 329.415 4.021 20 10 EICDHN COC[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001202193959 1055079809 /nfs/dbraw/zinc/07/98/09/1055079809.db2.gz LHZCYWSLPDHFIJ-SGSXCFNPSA-N 0 3 344.886 4.397 20 10 EICDHN COC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001202193956 1055080077 /nfs/dbraw/zinc/08/00/77/1055080077.db2.gz LHZCYWSLPDHFIJ-DPZZJQGRSA-N 0 3 344.886 4.397 20 10 EICDHN Cc1cccc(OCCCNCc2cc(F)c(N(C)C)cc2F)c1C ZINC001202251161 1055096735 /nfs/dbraw/zinc/09/67/35/1055096735.db2.gz NEHGEFLCRBBSEN-UHFFFAOYSA-N 0 3 348.437 4.206 20 10 EICDHN COc1sc(C[NH2+][C@H](C)c2ccccc2[O-])cc1Br ZINC000877756251 1055114350 /nfs/dbraw/zinc/11/43/50/1055114350.db2.gz BIPUFGATBWRWPF-SECBINFHSA-N 0 3 342.258 4.076 20 10 EICDHN Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(Cl)c1 ZINC000877757368 1055115112 /nfs/dbraw/zinc/11/51/12/1055115112.db2.gz UHHLGDTZZKKGAH-KBPBESRZSA-N 0 3 346.858 4.422 20 10 EICDHN C[C@H]([NH2+]Cc1cnc(CCc2ccccc2)s1)c1ccccc1[O-] ZINC000877758218 1055117424 /nfs/dbraw/zinc/11/74/24/1055117424.db2.gz NOZLNLWKWCGRKP-HNNXBMFYSA-N 0 3 338.476 4.485 20 10 EICDHN Cc1cc(O)c(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1C ZINC000742165266 1058525540 /nfs/dbraw/zinc/52/55/40/1058525540.db2.gz JEJQHBXMIRSBRP-UTKZUKDTSA-N 0 3 325.452 4.279 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H](C)Cc2ccc(C)s2)c1[O-] ZINC000228674880 1032160751 /nfs/dbraw/zinc/16/07/51/1032160751.db2.gz OTEFLYIAROUOJV-SNVBAGLBSA-N 0 3 325.861 4.145 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2[nH]ccc21)C[C@H]1CCCO1 ZINC000160206403 1018847669 /nfs/dbraw/zinc/84/76/69/1018847669.db2.gz HUQCRTFPDYIIKV-GOSISDBHSA-N 0 3 336.435 4.055 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc2[nH]ccc21)C[C@H]1CCCO1 ZINC000160206403 1018847671 /nfs/dbraw/zinc/84/76/71/1018847671.db2.gz HUQCRTFPDYIIKV-GOSISDBHSA-N 0 3 336.435 4.055 20 10 EICDHN CCCC(=O)Nc1ccc(C[NH2+][C@@H](CC)c2ccccc2[O-])cc1 ZINC000155179565 1020322266 /nfs/dbraw/zinc/32/22/66/1020322266.db2.gz LNZCCUXMKOOEFN-SFHVURJKSA-N 0 3 326.440 4.372 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1[O-] ZINC000155335780 1020498380 /nfs/dbraw/zinc/49/83/80/1020498380.db2.gz CNIGKCPZUYYSRA-KBXCAEBGSA-N 0 3 340.423 4.151 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2)c1[O-] ZINC000076274358 1021091118 /nfs/dbraw/zinc/09/11/18/1021091118.db2.gz RLNXZWAZILAHIF-UHFFFAOYSA-N 0 3 326.223 4.040 20 10 EICDHN COc1cc(CNC2(c3ccc(F)cc3F)CCC2)c(O)cc1C ZINC000160517937 1022077837 /nfs/dbraw/zinc/07/78/37/1022077837.db2.gz MSJYEBRWZYDMGZ-UHFFFAOYSA-N 0 3 333.378 4.156 20 10 EICDHN [O-]c1ccccc1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236564980 1022208464 /nfs/dbraw/zinc/20/84/64/1022208464.db2.gz GIQYKPVBDSHGNR-UHFFFAOYSA-N 0 3 326.621 4.098 20 10 EICDHN COc1cc(C)cc2c1OCC[C@H]2[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000363855217 1022857022 /nfs/dbraw/zinc/85/70/22/1022857022.db2.gz MWGYJAUREMSFCQ-MLGOLLRUSA-N 0 3 331.387 4.023 20 10 EICDHN C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000311222992 1023006491 /nfs/dbraw/zinc/00/64/91/1023006491.db2.gz VSSLZPKTRBHDSV-FUHWJXTLSA-N 0 3 342.458 4.094 20 10 EICDHN c1ccc(OCc2cccc(CNCc3ccc4c(c3)CCO4)c2)cc1 ZINC000236600285 1023101320 /nfs/dbraw/zinc/10/13/20/1023101320.db2.gz ANMWTKMYFKGREE-UHFFFAOYSA-N 0 3 345.442 4.490 20 10 EICDHN COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])OC(C)C ZINC000186376169 1023123277 /nfs/dbraw/zinc/12/32/77/1023123277.db2.gz UQNMJCARMVHTTR-MGPUTAFESA-N 0 3 329.440 4.218 20 10 EICDHN CCc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000156284115 1023381227 /nfs/dbraw/zinc/38/12/27/1023381227.db2.gz RMVRFPILSNOZGX-AWEZNQCLSA-N 0 3 348.487 4.137 20 10 EICDHN CCCOc1ccc(C[NH2+][C@@H]2CCOc3c(C)cccc32)c([O-])c1 ZINC000188877200 1023386588 /nfs/dbraw/zinc/38/65/88/1023386588.db2.gz HHZJEIAEIVKYBC-GOSISDBHSA-N 0 3 327.424 4.103 20 10 EICDHN COc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000122432306 1023545785 /nfs/dbraw/zinc/54/57/85/1023545785.db2.gz IELJZKIWSFOZDP-LBPRGKRZSA-N 0 3 336.838 4.405 20 10 EICDHN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310108593 1024351166 /nfs/dbraw/zinc/35/11/66/1024351166.db2.gz DQWQGWCIMOVFTQ-CRAIPNDOSA-N 0 3 344.886 4.046 20 10 EICDHN CC[C@@H]([NH2+][C@H](Cc1nc(C)no1)c1ccccc1)c1ccccc1[O-] ZINC000277197663 1025323026 /nfs/dbraw/zinc/32/30/26/1025323026.db2.gz VKFRMXJPGCWTOP-QZTJIDSGSA-N 0 3 337.423 4.108 20 10 EICDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000281290065 1028509468 /nfs/dbraw/zinc/50/94/68/1028509468.db2.gz YAIVSKRAVCCCOE-RYUDHWBXSA-N 0 3 335.245 4.270 20 10 EICDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367317019 1029338685 /nfs/dbraw/zinc/33/86/85/1029338685.db2.gz GZEWFWDIUVFSHL-APWZRJJASA-N 0 3 339.483 4.256 20 10 EICDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367317019 1029338701 /nfs/dbraw/zinc/33/87/01/1029338701.db2.gz GZEWFWDIUVFSHL-APWZRJJASA-N 0 3 339.483 4.256 20 10 EICDHN COc1ccc(OC)c([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000193000923 1029655867 /nfs/dbraw/zinc/65/58/67/1029655867.db2.gz NBLIKNZOXXFDCY-CABCVRRESA-N 0 3 328.456 4.182 20 10 EICDHN C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccccc1[O-] ZINC000183590050 1030024246 /nfs/dbraw/zinc/02/42/46/1030024246.db2.gz XTDYOFPTVUKSPL-ZDUSSCGKSA-N 0 3 326.371 4.080 20 10 EICDHN CCOc1cc(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])ccc1OC ZINC000280132220 1035172354 /nfs/dbraw/zinc/17/23/54/1035172354.db2.gz PBTMZJOUHRMJNR-KRWDZBQOSA-N 0 3 329.440 4.349 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccc(C)cc1[O-] ZINC000280276122 1035226615 /nfs/dbraw/zinc/22/66/15/1035226615.db2.gz YEHWAKJEUSBRQZ-KRWDZBQOSA-N 0 3 327.424 4.103 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccc(C)cc1[O-] ZINC000280276123 1035227562 /nfs/dbraw/zinc/22/75/62/1035227562.db2.gz YEHWAKJEUSBRQZ-QGZVFWFLSA-N 0 3 327.424 4.103 20 10 EICDHN CCOc1ccc(CN(C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761183447 1035893808 /nfs/dbraw/zinc/89/38/08/1035893808.db2.gz KFSNEYJTFUYAFZ-UHFFFAOYSA-N 0 3 335.831 4.085 20 10 EICDHN CCOc1ccc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000761183447 1035893813 /nfs/dbraw/zinc/89/38/13/1035893813.db2.gz KFSNEYJTFUYAFZ-UHFFFAOYSA-N 0 3 335.831 4.085 20 10 EICDHN CCOc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000761183447 1035893815 /nfs/dbraw/zinc/89/38/15/1035893815.db2.gz KFSNEYJTFUYAFZ-UHFFFAOYSA-N 0 3 335.831 4.085 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1[O-] ZINC000761216386 1036159960 /nfs/dbraw/zinc/15/99/60/1036159960.db2.gz QEQOAVRHQMMEKH-CLUVUEOHSA-N 0 3 347.842 4.097 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(F)ccc1[O-] ZINC000273433625 1037464603 /nfs/dbraw/zinc/46/46/03/1037464603.db2.gz LMZYWJASYLYXAO-JOKNJTHLSA-N 0 3 333.378 4.241 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+](C)Cc3ccc(F)c(F)c3)c2c1 ZINC000913066938 1038648183 /nfs/dbraw/zinc/64/81/83/1038648183.db2.gz ZZKKPPVHCLLFRU-UHFFFAOYSA-N 0 3 343.373 4.464 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+](C)Cc3ccc(F)c(F)c3)c2c1 ZINC000913066938 1038648186 /nfs/dbraw/zinc/64/81/86/1038648186.db2.gz ZZKKPPVHCLLFRU-UHFFFAOYSA-N 0 3 343.373 4.464 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCOC1CCSCC1 ZINC000898443051 1040874085 /nfs/dbraw/zinc/87/40/85/1040874085.db2.gz YYUCWNHGSMOKTJ-UHFFFAOYSA-N 0 3 343.492 4.061 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+](C)Cc3ccc(Cl)nc3)c2c1 ZINC000029886533 1042429857 /nfs/dbraw/zinc/42/98/57/1042429857.db2.gz CSCBEILWWWVPDW-UHFFFAOYSA-N 0 3 342.826 4.234 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+](C)Cc3ccc(Cl)nc3)c2c1 ZINC000029886533 1042429862 /nfs/dbraw/zinc/42/98/62/1042429862.db2.gz CSCBEILWWWVPDW-UHFFFAOYSA-N 0 3 342.826 4.234 20 10 EICDHN COc1ccc2ccc(O)c(CN3CCO[C@@H](c4ccccc4)C3)c2c1 ZINC000029892568 1042430717 /nfs/dbraw/zinc/43/07/17/1042430717.db2.gz GXMIQMWTNBGHQF-JOCHJYFZSA-N 0 3 349.430 4.128 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)c2c1 ZINC000029892568 1042430723 /nfs/dbraw/zinc/43/07/23/1042430723.db2.gz GXMIQMWTNBGHQF-JOCHJYFZSA-N 0 3 349.430 4.128 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@H](c4ccccc4)C3)c2c1 ZINC000029892568 1042430725 /nfs/dbraw/zinc/43/07/25/1042430725.db2.gz GXMIQMWTNBGHQF-JOCHJYFZSA-N 0 3 349.430 4.128 20 10 EICDHN Cc1c([C@@H](C)NCc2ccc(N(C)C)cc2C)cnn1-c1ccccc1 ZINC000766030601 1043063712 /nfs/dbraw/zinc/06/37/12/1043063712.db2.gz UNHBWPCWEVWZLD-QGZVFWFLSA-N 0 3 348.494 4.406 20 10 EICDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1F ZINC000731845877 1043833604 /nfs/dbraw/zinc/83/36/04/1043833604.db2.gz LDWUKAAMRWRGKW-UHFFFAOYSA-N 0 3 329.415 4.485 20 10 EICDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1F ZINC000731845877 1043833607 /nfs/dbraw/zinc/83/36/07/1043833607.db2.gz LDWUKAAMRWRGKW-UHFFFAOYSA-N 0 3 329.415 4.485 20 10 EICDHN Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847129 1043834375 /nfs/dbraw/zinc/83/43/75/1043834375.db2.gz DJZQFYZRKAMVRK-UHFFFAOYSA-N 0 3 338.451 4.084 20 10 EICDHN Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847129 1043834380 /nfs/dbraw/zinc/83/43/80/1043834380.db2.gz DJZQFYZRKAMVRK-UHFFFAOYSA-N 0 3 338.451 4.084 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H]2CCOc3c(OC)cccc32)cc1 ZINC000733331860 1044200032 /nfs/dbraw/zinc/20/00/32/1044200032.db2.gz JXMJGDJZPKSMRL-LJQANCHMSA-N 0 3 340.467 4.155 20 10 EICDHN CC[C@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766138499 1044331343 /nfs/dbraw/zinc/33/13/43/1044331343.db2.gz OLSXYZRBLHKFKX-VXKWHMMOSA-N 0 3 348.494 4.431 20 10 EICDHN COc1ccc(C[NH2+]Cc2cccc(COc3ccccc3)c2)c([O-])c1 ZINC000237257851 1044606855 /nfs/dbraw/zinc/60/68/55/1044606855.db2.gz UMPYJMBBJIVYEA-UHFFFAOYSA-N 0 3 349.430 4.270 20 10 EICDHN CCc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000735309220 1044799193 /nfs/dbraw/zinc/79/91/93/1044799193.db2.gz JLPHZQZOWHLAOQ-FQEVSTJZSA-N 0 3 325.452 4.136 20 10 EICDHN CCc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000735309220 1044799211 /nfs/dbraw/zinc/79/92/11/1044799211.db2.gz JLPHZQZOWHLAOQ-FQEVSTJZSA-N 0 3 325.452 4.136 20 10 EICDHN CCOc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000186698940 1045138118 /nfs/dbraw/zinc/13/81/18/1045138118.db2.gz FFTOARCTLBNDRO-FOIQADDNSA-N 0 3 340.467 4.326 20 10 EICDHN CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CCO2 ZINC000186694824 1045141476 /nfs/dbraw/zinc/14/14/76/1045141476.db2.gz INHUOLCGRHDUHJ-SJCJKPOMSA-N 0 3 331.387 4.104 20 10 EICDHN CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1C[C@@H](C)c3c1c([O-])ccc3F)CC2 ZINC000790697148 1045560357 /nfs/dbraw/zinc/56/03/57/1045560357.db2.gz KAQVFWDOWKEXRT-XNRPHZJLSA-N 0 3 343.446 4.004 20 10 EICDHN COc1cccc(CN(C)Cc2ccc(Cl)c(Cl)c2)c1O ZINC000768174730 1045737848 /nfs/dbraw/zinc/73/78/48/1045737848.db2.gz MPZXMHLQFYLWSX-UHFFFAOYSA-N 0 3 326.223 4.340 20 10 EICDHN CCOc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c([O-])c1 ZINC000768339236 1045791567 /nfs/dbraw/zinc/79/15/67/1045791567.db2.gz SXUUYXJEFNGWQN-UHFFFAOYSA-N 0 3 344.411 4.110 20 10 EICDHN CCOc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c([O-])c1 ZINC000768339236 1045791589 /nfs/dbraw/zinc/79/15/89/1045791589.db2.gz SXUUYXJEFNGWQN-UHFFFAOYSA-N 0 3 344.411 4.110 20 10 EICDHN COc1cc(O)c(CN2CCCC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000768464072 1045810994 /nfs/dbraw/zinc/81/09/94/1045810994.db2.gz NDRGMYFZPMIFSF-QGZVFWFLSA-N 0 3 345.414 4.276 20 10 EICDHN COc1cc(O)c(CN2C[C@H](C)C[C@@H]2c2ccccc2F)cc1OC ZINC000768464830 1045811311 /nfs/dbraw/zinc/81/13/11/1045811311.db2.gz BCLSYIHIOJFAIW-CXAGYDPISA-N 0 3 345.414 4.132 20 10 EICDHN CC[C@@H](C)Oc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1OC ZINC000768873692 1045851010 /nfs/dbraw/zinc/85/10/10/1045851010.db2.gz UKQUYXPIHXBQTN-OAHLLOKOSA-N 0 3 329.440 4.210 20 10 EICDHN CC[C@@H](C)Oc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1OC ZINC000768873692 1045850999 /nfs/dbraw/zinc/85/09/99/1045850999.db2.gz UKQUYXPIHXBQTN-OAHLLOKOSA-N 0 3 329.440 4.210 20 10 EICDHN CCC[N@H+](Cc1ccc(-n2ccnc2)cc1C)Cc1ccccc1[O-] ZINC000792230131 1045880434 /nfs/dbraw/zinc/88/04/34/1045880434.db2.gz AVJWJGSKNVSWGS-UHFFFAOYSA-N 0 3 335.451 4.299 20 10 EICDHN CCC[N@@H+](Cc1ccc(-n2ccnc2)cc1C)Cc1ccccc1[O-] ZINC000792230131 1045880443 /nfs/dbraw/zinc/88/04/43/1045880443.db2.gz AVJWJGSKNVSWGS-UHFFFAOYSA-N 0 3 335.451 4.299 20 10 EICDHN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769147180 1045880548 /nfs/dbraw/zinc/88/05/48/1045880548.db2.gz BSSXLLWHQBXTEW-HZPDHXFCSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000769147180 1045880551 /nfs/dbraw/zinc/88/05/51/1045880551.db2.gz BSSXLLWHQBXTEW-HZPDHXFCSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000769148999 1045885841 /nfs/dbraw/zinc/88/58/41/1045885841.db2.gz WQJYCVKUNHZAFJ-CVEARBPZSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000769148999 1045885848 /nfs/dbraw/zinc/88/58/48/1045885848.db2.gz WQJYCVKUNHZAFJ-CVEARBPZSA-N 0 3 336.907 4.132 20 10 EICDHN CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000769201354 1045893632 /nfs/dbraw/zinc/89/36/32/1045893632.db2.gz SCBNTQSARLPQCB-JXMROGBWSA-N 0 3 326.396 4.226 20 10 EICDHN CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000769201354 1045893626 /nfs/dbraw/zinc/89/36/26/1045893626.db2.gz SCBNTQSARLPQCB-JXMROGBWSA-N 0 3 326.396 4.226 20 10 EICDHN CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(C)ccc1O ZINC000769233160 1045897002 /nfs/dbraw/zinc/89/70/02/1045897002.db2.gz OCAIVBYEPIMCEM-IBGZPJMESA-N 0 3 335.451 4.407 20 10 EICDHN CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(C)ccc1O ZINC000769233161 1045897912 /nfs/dbraw/zinc/89/79/12/1045897912.db2.gz OCAIVBYEPIMCEM-LJQANCHMSA-N 0 3 335.451 4.407 20 10 EICDHN COC(=O)c1ccccc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000769385315 1045946629 /nfs/dbraw/zinc/94/66/29/1045946629.db2.gz VTDDMCJOFSTVCG-UHFFFAOYSA-N 0 3 339.435 4.124 20 10 EICDHN COC(=O)c1ccccc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000769385315 1045946604 /nfs/dbraw/zinc/94/66/04/1045946604.db2.gz VTDDMCJOFSTVCG-UHFFFAOYSA-N 0 3 339.435 4.124 20 10 EICDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1OC ZINC000769384986 1045946864 /nfs/dbraw/zinc/94/68/64/1045946864.db2.gz RXHGAGBEIPXKPY-UHFFFAOYSA-N 0 3 341.451 4.354 20 10 EICDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1OC ZINC000769384986 1045946847 /nfs/dbraw/zinc/94/68/47/1045946847.db2.gz RXHGAGBEIPXKPY-UHFFFAOYSA-N 0 3 341.451 4.354 20 10 EICDHN COc1cccc(CNCc2ccccc2OCc2ccccc2)c1O ZINC000237389079 1045957438 /nfs/dbraw/zinc/95/74/38/1045957438.db2.gz KFZUTDKZBXYDPX-UHFFFAOYSA-N 0 3 349.430 4.270 20 10 EICDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c([O-])c1 ZINC000769532017 1046010351 /nfs/dbraw/zinc/01/03/51/1046010351.db2.gz GVLDRURVULNLMI-MRXNPFEDSA-N 0 3 347.842 4.098 20 10 EICDHN CCOc1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c(O)c1 ZINC000769532017 1046010338 /nfs/dbraw/zinc/01/03/38/1046010338.db2.gz GVLDRURVULNLMI-MRXNPFEDSA-N 0 3 347.842 4.098 20 10 EICDHN CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c([O-])c1 ZINC000769532017 1046010366 /nfs/dbraw/zinc/01/03/66/1046010366.db2.gz GVLDRURVULNLMI-MRXNPFEDSA-N 0 3 347.842 4.098 20 10 EICDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c([O-])c1 ZINC000769559702 1046022317 /nfs/dbraw/zinc/02/23/17/1046022317.db2.gz QIXCMLCBAXQHHE-CQSZACIVSA-N 0 3 333.378 4.059 20 10 EICDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c([O-])c1 ZINC000769559702 1046022330 /nfs/dbraw/zinc/02/23/30/1046022330.db2.gz QIXCMLCBAXQHHE-CQSZACIVSA-N 0 3 333.378 4.059 20 10 EICDHN COc1ccsc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769962751 1046110625 /nfs/dbraw/zinc/11/06/25/1046110625.db2.gz QGAVIEGABCSCKU-GJZGRUSLSA-N 0 3 346.496 4.005 20 10 EICDHN C[C@H](CC(F)(F)F)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000793082823 1046136566 /nfs/dbraw/zinc/13/65/66/1046136566.db2.gz YZJKGRVTPGGGAK-SECBINFHSA-N 0 3 328.300 4.202 20 10 EICDHN C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1n1ccnc1 ZINC000770322884 1046178064 /nfs/dbraw/zinc/17/80/64/1046178064.db2.gz KUKLHUKFOCRINL-DYESRHJHSA-N 0 3 347.462 4.339 20 10 EICDHN C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1n1ccnc1 ZINC000770322884 1046178054 /nfs/dbraw/zinc/17/80/54/1046178054.db2.gz KUKLHUKFOCRINL-DYESRHJHSA-N 0 3 347.462 4.339 20 10 EICDHN COc1ccc(OC)c(C[N@H+](Cc2ccccc2[O-])C(C)(C)C)c1 ZINC000770508727 1046209519 /nfs/dbraw/zinc/20/95/19/1046209519.db2.gz GEFCESZJOFKCIX-UHFFFAOYSA-N 0 3 329.440 4.210 20 10 EICDHN COc1ccc(OC)c(C[N@@H+](Cc2ccccc2[O-])C(C)(C)C)c1 ZINC000770508727 1046209533 /nfs/dbraw/zinc/20/95/33/1046209533.db2.gz GEFCESZJOFKCIX-UHFFFAOYSA-N 0 3 329.440 4.210 20 10 EICDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000793386320 1046230891 /nfs/dbraw/zinc/23/08/91/1046230891.db2.gz LHCBSTLTDAKPJK-JCNLHEQBSA-N 0 3 331.843 4.480 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000322066908 1046260918 /nfs/dbraw/zinc/26/09/18/1046260918.db2.gz CPHZFHZGYDUMAV-JYJNAYRXSA-N 0 3 348.487 4.187 20 10 EICDHN CO[C@@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(F)(F)F ZINC000786823888 1046876355 /nfs/dbraw/zinc/87/63/55/1046876355.db2.gz PKCHQLPNRFFBCZ-KRWDZBQOSA-N 0 3 339.357 4.116 20 10 EICDHN CCN(CC)c1ccc(CN[C@H]2CCc3nc(Cl)ccc32)cc1F ZINC000806140320 1047166419 /nfs/dbraw/zinc/16/64/19/1047166419.db2.gz WEAHRZSSEFVKMJ-INIZCTEOSA-N 0 3 347.865 4.497 20 10 EICDHN CC[C@@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148155 1047173461 /nfs/dbraw/zinc/17/34/61/1047173461.db2.gz CVUGZYVMBIUOPE-CRAIPNDOSA-N 0 3 338.923 4.454 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c([O-])c1 ZINC000788776774 1047311846 /nfs/dbraw/zinc/31/18/46/1047311846.db2.gz NCLZEBVHCKKLQQ-SPEDKVCISA-N 0 3 341.495 4.289 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1[O-] ZINC000808683869 1048036087 /nfs/dbraw/zinc/03/60/87/1048036087.db2.gz KQALAFYAMAYBNM-CQSZACIVSA-N 0 3 341.842 4.391 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1[O-] ZINC000808694365 1048041554 /nfs/dbraw/zinc/04/15/54/1048041554.db2.gz FAFBSOHOHHDCLT-BDJLRTHQSA-N 0 3 331.847 4.181 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1[O-] ZINC000808673377 1048045777 /nfs/dbraw/zinc/04/57/77/1048045777.db2.gz OBHVEICSYSZBAN-MEDUHNTESA-N 0 3 340.250 4.392 20 10 EICDHN COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808703865 1048049969 /nfs/dbraw/zinc/04/99/69/1048049969.db2.gz YPGHTUCPEAWZAV-UGSOOPFHSA-N 0 3 349.858 4.137 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000808706642 1048052038 /nfs/dbraw/zinc/05/20/38/1048052038.db2.gz PYFPFUDNDDQSTI-DXCKQFNASA-N 0 3 341.904 4.059 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000808709179 1048055826 /nfs/dbraw/zinc/05/58/26/1048055826.db2.gz VNHJWTSJROCXHQ-KZULUSFZSA-N 0 3 337.822 4.051 20 10 EICDHN CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808709843 1048056860 /nfs/dbraw/zinc/05/68/60/1048056860.db2.gz ZYXIREFGMJARNB-LBPRGKRZSA-N 0 3 335.879 4.063 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1[O-] ZINC000808716126 1048063028 /nfs/dbraw/zinc/06/30/28/1048063028.db2.gz JQRKLGLZSKFEFO-LBPRGKRZSA-N 0 3 334.803 4.421 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000808699271 1048080346 /nfs/dbraw/zinc/08/03/46/1048080346.db2.gz COGXZZMBFVPWMO-GFCCVEGCSA-N 0 3 334.803 4.156 20 10 EICDHN CN(C)CCSC1=NC(=O)/C(=C\c2csc3ccccc23)S1 ZINC000814771869 1048165807 /nfs/dbraw/zinc/16/58/07/1048165807.db2.gz HNCLXJDRXRHSQK-NTEUORMPSA-N 0 3 348.518 4.166 20 10 EICDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H]2c2ccccn2)c1 ZINC000919954921 1048340061 /nfs/dbraw/zinc/34/00/61/1048340061.db2.gz UIKKIXYFCPGUIF-QGZVFWFLSA-N 0 3 326.440 4.127 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000809699833 1048465858 /nfs/dbraw/zinc/46/58/58/1048465858.db2.gz XNNHYNRSAGJGPM-QFIPXVFZSA-N 0 3 333.431 4.128 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000809699833 1048465866 /nfs/dbraw/zinc/46/58/66/1048465866.db2.gz XNNHYNRSAGJGPM-QFIPXVFZSA-N 0 3 333.431 4.128 20 10 EICDHN COC(=O)c1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000809730678 1048482269 /nfs/dbraw/zinc/48/22/69/1048482269.db2.gz ZEGUFGQLMDJCSH-UHFFFAOYSA-N 0 3 347.414 4.136 20 10 EICDHN CC(C)SCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809721991 1048498708 /nfs/dbraw/zinc/49/87/08/1048498708.db2.gz JONOIEASFZYCNZ-UHFFFAOYSA-N 0 3 331.481 4.202 20 10 EICDHN C[C@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCOC1 ZINC000815578990 1048518025 /nfs/dbraw/zinc/51/80/25/1048518025.db2.gz BZHZARVAUQJGCZ-TZIWHRDSSA-N 0 3 325.452 4.082 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCSC1 ZINC000815622298 1048548919 /nfs/dbraw/zinc/54/89/19/1048548919.db2.gz RDAPQYFAANRENR-IEBWSBKVSA-N 0 3 327.493 4.409 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000815627483 1048551249 /nfs/dbraw/zinc/55/12/49/1048551249.db2.gz BWULJVCHTVOYAM-IAGOWNOFSA-N 0 3 342.458 4.325 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1ccc(SC)cc1)N(C)C)c1ccccc1[O-] ZINC000815660427 1048561841 /nfs/dbraw/zinc/56/18/41/1048561841.db2.gz ZARBVQJKIMXGNP-RBUKOAKNSA-N 0 3 344.524 4.458 20 10 EICDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000815636120 1048566320 /nfs/dbraw/zinc/56/63/20/1048566320.db2.gz PGINBZSHUYWCFO-GJZGRUSLSA-N 0 3 340.423 4.151 20 10 EICDHN CN(C)c1ccc(CN(C)Cc2ccc(O)cc2C(F)(F)F)cc1 ZINC001144391912 1048625734 /nfs/dbraw/zinc/62/57/34/1048625734.db2.gz INBQWCUNCGIHAX-UHFFFAOYSA-N 0 3 338.373 4.109 20 10 EICDHN Cc1cc(N(C)C)ccc1CNCc1cscc1C(F)(F)F ZINC000810146135 1048648584 /nfs/dbraw/zinc/64/85/84/1048648584.db2.gz MFIYSDKLKAXPCV-UHFFFAOYSA-N 0 3 328.403 4.431 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)OCCc3sccc32)c2c1c(F)ccc2[O-] ZINC000810252790 1048729335 /nfs/dbraw/zinc/72/93/35/1048729335.db2.gz JGBQVMCONUEACJ-LCCAYYTGSA-N 0 3 347.455 4.219 20 10 EICDHN COC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846164951 1048826900 /nfs/dbraw/zinc/82/69/00/1048826900.db2.gz JJGTUBATYHZVRD-WBMJQRKESA-N 0 3 335.831 4.093 20 10 EICDHN Cc1cnccc1OC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816593601 1048840097 /nfs/dbraw/zinc/84/00/97/1048840097.db2.gz XRJSOKHRCGRZAZ-UHFFFAOYSA-N 0 3 348.446 4.292 20 10 EICDHN Cc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cc(C)n1 ZINC000817411938 1048963437 /nfs/dbraw/zinc/96/34/37/1048963437.db2.gz ZQCAYKZWZWMTHP-UHFFFAOYSA-N 0 3 337.389 4.073 20 10 EICDHN C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984817 1049078437 /nfs/dbraw/zinc/07/84/37/1049078437.db2.gz ANNMXHGZXNTRDA-MNOVXSKESA-N 0 3 329.271 4.024 20 10 EICDHN c1cc(N2CCCCC2)ccc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518413 1049101905 /nfs/dbraw/zinc/10/19/05/1049101905.db2.gz JPAHZSBVCAAWGC-SFTDATJTSA-N 0 3 340.511 4.210 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000812735721 1049555251 /nfs/dbraw/zinc/55/52/51/1049555251.db2.gz FQZBKFNZVDFRMB-QFBILLFUSA-N 0 3 342.458 4.407 20 10 EICDHN Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1[O-] ZINC000822530341 1049767879 /nfs/dbraw/zinc/76/78/79/1049767879.db2.gz YDKFKAKVHXBDPP-GOSISDBHSA-N 0 3 335.875 4.135 20 10 EICDHN Cc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1[O-] ZINC000822530341 1049767884 /nfs/dbraw/zinc/76/78/84/1049767884.db2.gz YDKFKAKVHXBDPP-GOSISDBHSA-N 0 3 335.875 4.135 20 10 EICDHN C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])CN1Cc1ccccc1 ZINC001171735484 1049799513 /nfs/dbraw/zinc/79/95/13/1049799513.db2.gz WZCJQECQFZMISA-HTAPYJJXSA-N 0 3 346.474 4.298 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000813884589 1049831531 /nfs/dbraw/zinc/83/15/31/1049831531.db2.gz XGAOFNSCJUDCHC-QAPCUYQASA-N 0 3 328.431 4.159 20 10 EICDHN COc1ccc(N2CCC(N[C@H](C)c3nc(C)sc3C)CC2)cc1 ZINC000772877179 1049885132 /nfs/dbraw/zinc/88/51/32/1049885132.db2.gz WCCXDADTPONXRX-CYBMUJFWSA-N 0 3 345.512 4.088 20 10 EICDHN COC(=O)CC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000180670465 1049928096 /nfs/dbraw/zinc/92/80/96/1049928096.db2.gz LYLJWQOJMKUNNS-OXJNMPFZSA-N 0 3 340.467 4.098 20 10 EICDHN C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccccc1[O-] ZINC001172577963 1049952088 /nfs/dbraw/zinc/95/20/88/1049952088.db2.gz XSSUTUDOHLQAOF-NSHDSACASA-N 0 3 325.786 4.435 20 10 EICDHN C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000181347686 1050106582 /nfs/dbraw/zinc/10/65/82/1050106582.db2.gz GCHWKNKZYIRADJ-HNNXBMFYSA-N 0 3 327.472 4.176 20 10 EICDHN CC(C)[C@@H](CNCc1c([O-])ccc(Cl)c1F)[NH+]1CCC(C)CC1 ZINC001177256430 1050174681 /nfs/dbraw/zinc/17/46/81/1050174681.db2.gz FZKRPIYLURFJCZ-MRXNPFEDSA-N 0 3 342.886 4.031 20 10 EICDHN COc1ccc(CNCc2ccnc(OCc3ccccc3)c2)cc1C ZINC000067669978 1050216053 /nfs/dbraw/zinc/21/60/53/1050216053.db2.gz RFKBSVLZRHKRFN-UHFFFAOYSA-N 0 3 348.446 4.267 20 10 EICDHN CN(c1ccc(CNCc2cccc(F)c2N)cc1)C1CCCCC1 ZINC001177543022 1050249461 /nfs/dbraw/zinc/24/94/61/1050249461.db2.gz XQXNBDTYMLSPOM-UHFFFAOYSA-N 0 3 341.474 4.467 20 10 EICDHN Cc1cc(N(C)C)ccc1CNCc1ccccc1OCC(C)C ZINC001177804834 1050307487 /nfs/dbraw/zinc/30/74/87/1050307487.db2.gz UEQHGNATWNCDDZ-UHFFFAOYSA-N 0 3 326.484 4.386 20 10 EICDHN CCN(C)c1ccc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000773756257 1050502121 /nfs/dbraw/zinc/50/21/21/1050502121.db2.gz VFEYFBXBPMHGHT-FYSMJZIKSA-N 0 3 344.524 4.073 20 10 EICDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c([O-])c1 ZINC001179874467 1050813419 /nfs/dbraw/zinc/81/34/19/1050813419.db2.gz ZVPIADRJLUFQNY-VQIMIIECSA-N 0 3 325.452 4.335 20 10 EICDHN COc1cc(C)c(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c([O-])c1 ZINC001179874467 1050813425 /nfs/dbraw/zinc/81/34/25/1050813425.db2.gz ZVPIADRJLUFQNY-VQIMIIECSA-N 0 3 325.452 4.335 20 10 EICDHN CCO[C@H]1C[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(CC)CC ZINC001179950749 1050828336 /nfs/dbraw/zinc/82/83/36/1050828336.db2.gz HHTPXAFAXQNDPO-OALUTQOASA-N 0 3 335.488 4.125 20 10 EICDHN CCO[C@H]1C[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(CC)CC ZINC001179950749 1050828341 /nfs/dbraw/zinc/82/83/41/1050828341.db2.gz HHTPXAFAXQNDPO-OALUTQOASA-N 0 3 335.488 4.125 20 10 EICDHN COc1ccc(O)c(CN[C@@H](CC(F)(F)F)c2ccccc2C)c1 ZINC000775193471 1050835459 /nfs/dbraw/zinc/83/54/59/1050835459.db2.gz PRGHVSRYMRKGEI-INIZCTEOSA-N 0 3 339.357 4.493 20 10 EICDHN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180029649 1050856713 /nfs/dbraw/zinc/85/67/13/1050856713.db2.gz DLXYZLCNKWAMSQ-HOTGVXAUSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180029649 1050856721 /nfs/dbraw/zinc/85/67/21/1050856721.db2.gz DLXYZLCNKWAMSQ-HOTGVXAUSA-N 0 3 336.907 4.132 20 10 EICDHN CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(C)cc1O ZINC001180067907 1050873069 /nfs/dbraw/zinc/87/30/69/1050873069.db2.gz HGBJDWKQRPXBGM-LJQANCHMSA-N 0 3 335.451 4.407 20 10 EICDHN CCCCn1cc(CN[C@H](C)c2ccc(N(C)CC)cc2)c(C)n1 ZINC000774475425 1051607791 /nfs/dbraw/zinc/60/77/91/1051607791.db2.gz SNEQHXHTKHHRKD-MRXNPFEDSA-N 0 3 328.504 4.299 20 10 EICDHN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774485403 1051613232 /nfs/dbraw/zinc/61/32/32/1051613232.db2.gz UXBYBGQHPMBMHL-IRXDYDNUSA-N 0 3 339.483 4.047 20 10 EICDHN CCO[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000774499655 1051617414 /nfs/dbraw/zinc/61/74/14/1051617414.db2.gz XRGWMNJBGWUUNA-RPVQJOFSSA-N 0 3 329.415 4.447 20 10 EICDHN CC[C@H]([NH2+]CCNc1cccc(Br)c1)c1ccccc1[O-] ZINC000775545787 1051808957 /nfs/dbraw/zinc/80/89/57/1051808957.db2.gz GNJNRCHGWJADRL-INIZCTEOSA-N 0 3 349.272 4.308 20 10 EICDHN Cc1cc(Br)cc(CNCc2cscc2Cl)c1O ZINC001183843208 1051904392 /nfs/dbraw/zinc/90/43/92/1051904392.db2.gz ICJMPVPUJLWWCT-UHFFFAOYSA-N 0 3 346.677 4.468 20 10 EICDHN Cc1[nH]c2ccccc2c1SCC[NH2+]Cc1ccc(C)cc1[O-] ZINC001184398660 1052004148 /nfs/dbraw/zinc/00/41/48/1052004148.db2.gz LMPNYPOFDZXAIM-UHFFFAOYSA-N 0 3 326.465 4.372 20 10 EICDHN C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cc(F)ccc1[O-] ZINC000184857289 1052265235 /nfs/dbraw/zinc/26/52/35/1052265235.db2.gz YASVDIZVIBMWPD-PBHICJAKSA-N 0 3 332.419 4.002 20 10 EICDHN CC(C)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000184896635 1052296540 /nfs/dbraw/zinc/29/65/40/1052296540.db2.gz RNJFXPJVFXGCOR-ZUOKHONESA-N 0 3 345.414 4.350 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)c([O-])c1 ZINC000185003386 1052356984 /nfs/dbraw/zinc/35/69/84/1052356984.db2.gz YQYFNJUDYIBDDF-GOSISDBHSA-N 0 3 338.495 4.058 20 10 EICDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c1 ZINC000185007610 1052360243 /nfs/dbraw/zinc/36/02/43/1052360243.db2.gz SRSYWGXNEMFMJS-KRWDZBQOSA-N 0 3 325.452 4.100 20 10 EICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c1 ZINC000185007589 1052360541 /nfs/dbraw/zinc/36/05/41/1052360541.db2.gz SRSYWGXNEMFMJS-QGZVFWFLSA-N 0 3 325.452 4.100 20 10 EICDHN C[C@H]([NH2+]CCCCOCCc1ccccc1)c1cc(F)ccc1[O-] ZINC000185072981 1052392565 /nfs/dbraw/zinc/39/25/65/1052392565.db2.gz YNIPDWVYOLDEGV-INIZCTEOSA-N 0 3 331.431 4.221 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000185160671 1052495596 /nfs/dbraw/zinc/49/55/96/1052495596.db2.gz GPLDDEVQKGTXAB-HUUCEWRRSA-N 0 3 340.423 4.069 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c([O-])c1 ZINC000185245806 1052549587 /nfs/dbraw/zinc/54/95/87/1052549587.db2.gz GCEKYLBHMQMYCH-DLBZAZTESA-N 0 3 344.524 4.325 20 10 EICDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000185658830 1052666533 /nfs/dbraw/zinc/66/65/33/1052666533.db2.gz HUFIPQAXUWCIJO-BXWFABGCSA-N 0 3 342.458 4.235 20 10 EICDHN COc1cc(CN[C@H](C)c2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850137359 1053078182 /nfs/dbraw/zinc/07/81/82/1053078182.db2.gz NRYZLLQNXJEZSV-LLVKDONJSA-N 0 3 332.444 4.154 20 10 EICDHN COc1cc(CNCc2ccnc(SC)c2)c(O)c(C(C)(C)C)c1 ZINC000850235721 1053094643 /nfs/dbraw/zinc/09/46/43/1053094643.db2.gz FABBICGSTSXRRY-UHFFFAOYSA-N 0 3 346.496 4.105 20 10 EICDHN Cc1c(Br)cncc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000850251766 1053099670 /nfs/dbraw/zinc/09/96/70/1053099670.db2.gz FTUHGNIUCPYBKI-ZDUSSCGKSA-N 0 3 348.288 4.069 20 10 EICDHN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654953 1053251247 /nfs/dbraw/zinc/25/12/47/1053251247.db2.gz DQRMHMNMLDDWQR-GXFFZTMASA-N 0 3 331.378 4.168 20 10 EICDHN Cc1ccncc1CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000850505168 1053265704 /nfs/dbraw/zinc/26/57/04/1053265704.db2.gz NZYPXUOYODGOOJ-CYBMUJFWSA-N 0 3 349.272 4.060 20 10 EICDHN COC[C@@H](N[C@@H](C)c1ccc(C)c(C)c1O)c1cccc(OC)c1 ZINC000850513805 1053274128 /nfs/dbraw/zinc/27/41/28/1053274128.db2.gz JPVVBKNTSMBTCI-HNAYVOBHSA-N 0 3 329.440 4.056 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCO[C@H]1CC1(F)F ZINC000850520709 1053276556 /nfs/dbraw/zinc/27/65/56/1053276556.db2.gz GOPAKSKUPQAWDU-MJGOQNOKSA-N 0 3 347.405 4.080 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000850520708 1053278229 /nfs/dbraw/zinc/27/82/29/1053278229.db2.gz GOPAKSKUPQAWDU-IEBWSBKVSA-N 0 3 347.405 4.080 20 10 EICDHN COc1ccc(-c2cc(CN[C@@H](C)c3cc(C)ccc3O)on2)cc1 ZINC000850525988 1053284516 /nfs/dbraw/zinc/28/45/16/1053284516.db2.gz NUMDUPFOMDPADH-AWEZNQCLSA-N 0 3 338.407 4.215 20 10 EICDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850554951 1053310200 /nfs/dbraw/zinc/31/02/00/1053310200.db2.gz IQDASXJEOKVVGX-ZBFHGGJFSA-N 0 3 338.234 4.010 20 10 EICDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000850568306 1053322711 /nfs/dbraw/zinc/32/27/11/1053322711.db2.gz VEYVFUNXAMVWBC-NRFANRHFSA-N 0 3 342.458 4.028 20 10 EICDHN Cc1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1[O-] ZINC000775648809 1053358482 /nfs/dbraw/zinc/35/84/82/1053358482.db2.gz XXQAFBGNFDGQKX-HXUWFJFHSA-N 0 3 345.870 4.300 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccc(C)cc1[O-] ZINC000794798681 1053384572 /nfs/dbraw/zinc/38/45/72/1053384572.db2.gz YOPGTOVMFCJEMX-GOSISDBHSA-N 0 3 327.472 4.183 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1cccc(OC)c1)N(C)C)c1ccc(C)cc1[O-] ZINC000794792890 1053387793 /nfs/dbraw/zinc/38/77/93/1053387793.db2.gz GZVPTXIQYUBHPL-WOJBJXKFSA-N 0 3 342.483 4.053 20 10 EICDHN CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccc(C)cc1[O-] ZINC000794804214 1053395509 /nfs/dbraw/zinc/39/55/09/1053395509.db2.gz UCRPKGGHDHCLEO-RDJZCZTQSA-N 0 3 329.440 4.217 20 10 EICDHN CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C)cc1[O-] ZINC000794806047 1053405486 /nfs/dbraw/zinc/40/54/86/1053405486.db2.gz ZQSBFHQCQYIQFT-UZLBHIALSA-N 0 3 342.458 4.407 20 10 EICDHN CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C)cc1[O-] ZINC000794806043 1053405682 /nfs/dbraw/zinc/40/56/82/1053405682.db2.gz ZQSBFHQCQYIQFT-OXQOHEQNSA-N 0 3 342.458 4.407 20 10 EICDHN COc1ccc(O)c(CN(C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000775659028 1053419570 /nfs/dbraw/zinc/41/95/70/1053419570.db2.gz UCAKKYXUHYKUBK-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C)cc1[O-] ZINC000794815361 1053421166 /nfs/dbraw/zinc/42/11/66/1053421166.db2.gz KEGXUAYTCQENQI-DNVCBOLYSA-N 0 3 336.439 4.083 20 10 EICDHN Cc1cc(Cl)cc(C[NH+]2CCC(OCCC(C)C)CC2)c1[O-] ZINC000775658208 1053426755 /nfs/dbraw/zinc/42/67/55/1053426755.db2.gz HGUXPNOGDSYJDR-UHFFFAOYSA-N 0 3 325.880 4.381 20 10 EICDHN CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794811931 1053427585 /nfs/dbraw/zinc/42/75/85/1053427585.db2.gz ALKXUCJUYCKQTC-LKUPVBHCSA-N 0 3 326.484 4.433 20 10 EICDHN CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccc(C)cc1[O-] ZINC000794812424 1053427778 /nfs/dbraw/zinc/42/77/78/1053427778.db2.gz CNUZVZHSMLJPOJ-PKOBYXMFSA-N 0 3 333.859 4.302 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C)cc1[O-] ZINC000794816987 1053430110 /nfs/dbraw/zinc/43/01/10/1053430110.db2.gz SGXCOFMXQBDNIF-RBUKOAKNSA-N 0 3 344.499 4.065 20 10 EICDHN CC[C@@H](N[C@H](COC)c1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794816607 1053432317 /nfs/dbraw/zinc/43/23/17/1053432317.db2.gz LOURPKNANSQJQD-QZTJIDSGSA-N 0 3 335.394 4.407 20 10 EICDHN CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O)c1ccc(C)cc1[O-] ZINC000794818671 1053435179 /nfs/dbraw/zinc/43/51/79/1053435179.db2.gz XYENWXGSYNFEAG-AGHHOFFYSA-N 0 3 341.495 4.371 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)c1ccc(C)cc1[O-] ZINC000794819750 1053435704 /nfs/dbraw/zinc/43/57/04/1053435704.db2.gz XLGSLPOAXFJNIG-LJQANCHMSA-N 0 3 335.451 4.436 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000775667583 1053459446 /nfs/dbraw/zinc/45/94/46/1053459446.db2.gz LPSKBRNIWYLYDA-MRXNPFEDSA-N 0 3 326.440 4.022 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000775667583 1053459450 /nfs/dbraw/zinc/45/94/50/1053459450.db2.gz LPSKBRNIWYLYDA-MRXNPFEDSA-N 0 3 326.440 4.022 20 10 EICDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000765246810 1053475557 /nfs/dbraw/zinc/47/55/57/1053475557.db2.gz WNQLGITZRDRDOC-ZIAGYGMSSA-N 0 3 345.874 4.084 20 10 EICDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000765246806 1053476707 /nfs/dbraw/zinc/47/67/07/1053476707.db2.gz WNQLGITZRDRDOC-KBPBESRZSA-N 0 3 345.874 4.084 20 10 EICDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1[O-] ZINC000775722779 1053690716 /nfs/dbraw/zinc/69/07/16/1053690716.db2.gz ATNRTOCMMTXGLT-UHFFFAOYSA-N 0 3 343.854 4.376 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000866404144 1053717437 /nfs/dbraw/zinc/71/74/37/1053717437.db2.gz QEVFMYKJUMGJJV-LMMKCTJWSA-N 0 3 333.378 4.241 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000121085600 1053755225 /nfs/dbraw/zinc/75/52/25/1053755225.db2.gz PVHLWGMKTBSBDG-DOTOQJQBSA-N 0 3 339.357 4.185 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000121085405 1053756067 /nfs/dbraw/zinc/75/60/67/1053756067.db2.gz PVHLWGMKTBSBDG-WBVHZDCISA-N 0 3 339.357 4.185 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1[O-] ZINC000866540730 1053776423 /nfs/dbraw/zinc/77/64/23/1053776423.db2.gz BXRYHJNHRKZUDO-HNNXBMFYSA-N 0 3 325.330 4.374 20 10 EICDHN CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000866548599 1053779789 /nfs/dbraw/zinc/77/97/89/1053779789.db2.gz VRFDDIHESIZZTQ-BFYDXBDKSA-N 0 3 348.487 4.045 20 10 EICDHN COc1ccc(N2CCN(CC[C@@H]3CCC[C@@H](C)C3)CC2)c(OC)c1 ZINC001197104599 1053836865 /nfs/dbraw/zinc/83/68/65/1053836865.db2.gz ILQIPXGCUBUALG-MSOLQXFVSA-N 0 3 346.515 4.042 20 10 EICDHN C[C@H](N[C@@H](C)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000112536831 1053837542 /nfs/dbraw/zinc/83/75/42/1053837542.db2.gz MWKYGIGVLJBVAG-HOTGVXAUSA-N 0 3 328.431 4.074 20 10 EICDHN CCOc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c([O-])c1 ZINC000776817917 1053945836 /nfs/dbraw/zinc/94/58/36/1053945836.db2.gz ZLEKMZOUQRYVNV-INIZCTEOSA-N 0 3 339.357 4.227 20 10 EICDHN CC(C)c1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775837818 1054118261 /nfs/dbraw/zinc/11/82/61/1054118261.db2.gz UJOSPMVUZVOCIH-INIZCTEOSA-N 0 3 339.483 4.165 20 10 EICDHN CC(C)c1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775837819 1054118772 /nfs/dbraw/zinc/11/87/72/1054118772.db2.gz UJOSPMVUZVOCIH-MRXNPFEDSA-N 0 3 339.483 4.165 20 10 EICDHN CC[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000186182725 1054378039 /nfs/dbraw/zinc/37/80/39/1054378039.db2.gz RHXVGCBTUPCRIZ-NVXWUHKLSA-N 0 3 348.487 4.080 20 10 EICDHN CC[C@@H](NCc1nc(-c2ccncc2)cs1)c1ccc(C)cc1O ZINC000872122304 1054399566 /nfs/dbraw/zinc/39/95/66/1054399566.db2.gz USOMGNIDZOSXDR-MRXNPFEDSA-N 0 3 339.464 4.460 20 10 EICDHN Cc1cc(C)c([C@H](C)NCc2nc(-c3ccncc3)cs2)c(O)c1 ZINC000872122770 1054401873 /nfs/dbraw/zinc/40/18/73/1054401873.db2.gz ZJMORAFOQOCOBO-AWEZNQCLSA-N 0 3 339.464 4.378 20 10 EICDHN CO[C@@H](CN[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(F)(F)F ZINC000777006431 1054427340 /nfs/dbraw/zinc/42/73/40/1054427340.db2.gz JHXUIFZRYVEBBA-YOEHRIQHSA-N 0 3 344.421 4.295 20 10 EICDHN CCCOc1ccc(CN[C@H]2CCCc3nc(C)ncc32)cc1C ZINC000873051621 1054482025 /nfs/dbraw/zinc/48/20/25/1054482025.db2.gz FHQMTAYGYPFXOD-SFHVURJKSA-N 0 3 325.456 4.049 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCCOC1 ZINC000858445540 1054493507 /nfs/dbraw/zinc/49/35/07/1054493507.db2.gz MQHDNBIDEHISNZ-PZJWPPBQSA-N 0 3 339.479 4.472 20 10 EICDHN C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490689 1054498412 /nfs/dbraw/zinc/49/84/12/1054498412.db2.gz LVGFHFKAJHLFLV-VXGBXAGGSA-N 0 3 331.287 4.082 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000858548947 1054515083 /nfs/dbraw/zinc/51/50/83/1054515083.db2.gz XRELNDZBCFCUMR-CBQOVEMMSA-N 0 3 337.463 4.223 20 10 EICDHN COc1cccc([C@H](C)NCc2csc(C(F)(F)F)c2)c1O ZINC000858564911 1054517156 /nfs/dbraw/zinc/51/71/56/1054517156.db2.gz XYOAZQZAFJVZBK-VIFPVBQESA-N 0 3 331.359 4.332 20 10 EICDHN COC(=O)CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000859219218 1054643395 /nfs/dbraw/zinc/64/33/95/1054643395.db2.gz SBHZMDKHBGHMHL-KRWDZBQOSA-N 0 3 341.451 4.299 20 10 EICDHN COC(=O)CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000859219218 1054643403 /nfs/dbraw/zinc/64/34/03/1054643403.db2.gz SBHZMDKHBGHMHL-KRWDZBQOSA-N 0 3 341.451 4.299 20 10 EICDHN COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877013854 1055001973 /nfs/dbraw/zinc/00/19/73/1055001973.db2.gz HWRXLBYUXLFBLI-HNNXBMFYSA-N 0 3 331.481 4.290 20 10 EICDHN Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c([O-])c1 ZINC000877042097 1055005841 /nfs/dbraw/zinc/00/58/41/1055005841.db2.gz MPCDAWONNYJXPN-UHFFFAOYSA-N 0 3 331.843 4.150 20 10 EICDHN Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000877492001 1055064459 /nfs/dbraw/zinc/06/44/59/1055064459.db2.gz ZIUCSNDFRWXRKI-UHFFFAOYSA-N 0 3 335.451 4.196 20 10 EICDHN COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000776255727 1055086756 /nfs/dbraw/zinc/08/67/56/1055086756.db2.gz HKQPFCVYJWIGSK-ORAYPTAESA-N 0 3 349.858 4.228 20 10 EICDHN Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756562 1055114335 /nfs/dbraw/zinc/11/43/35/1055114335.db2.gz SJOWMKUSPTZAQM-CYBMUJFWSA-N 0 3 339.414 4.185 20 10 EICDHN CCOc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cc(Cl)c1OC ZINC000877756312 1055115342 /nfs/dbraw/zinc/11/53/42/1055115342.db2.gz GLELBHFNDUZGGF-LBPRGKRZSA-N 0 3 335.831 4.304 20 10 EICDHN C[C@@H](Nc1cccc(CN2CCSCC2)c1)c1cc(F)ccc1O ZINC000186343079 1055369658 /nfs/dbraw/zinc/36/96/58/1055369658.db2.gz RXQDCDZXWGJFHN-CQSZACIVSA-N 0 3 346.471 4.253 20 10 EICDHN CCC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)Cc1ccccc1[O-] ZINC000743870555 1059190056 /nfs/dbraw/zinc/19/00/56/1059190056.db2.gz XHMQKUIXBMSPMH-UHFFFAOYSA-N 0 3 333.815 4.187 20 10 EICDHN CCC[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)Cc1ccccc1[O-] ZINC000743870555 1059190088 /nfs/dbraw/zinc/19/00/88/1059190088.db2.gz XHMQKUIXBMSPMH-UHFFFAOYSA-N 0 3 333.815 4.187 20 10 EICDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000743870224 1059191424 /nfs/dbraw/zinc/19/14/24/1059191424.db2.gz MBWHMHUKGOHSHO-KRWDZBQOSA-N 0 3 340.467 4.248 20 10 EICDHN CCC[N@H+](CCOc1ccccc1OCC)Cc1ccccc1[O-] ZINC000743869825 1059191602 /nfs/dbraw/zinc/19/16/02/1059191602.db2.gz BRQYLXIWYUDQGR-UHFFFAOYSA-N 0 3 329.440 4.082 20 10 EICDHN CCC[N@@H+](CCOc1ccccc1OCC)Cc1ccccc1[O-] ZINC000743869825 1059191611 /nfs/dbraw/zinc/19/16/11/1059191611.db2.gz BRQYLXIWYUDQGR-UHFFFAOYSA-N 0 3 329.440 4.082 20 10 EICDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000743870175 1059192674 /nfs/dbraw/zinc/19/26/74/1059192674.db2.gz KJJBMVCBOONZAG-AWEZNQCLSA-N 0 3 346.858 4.285 20 10 EICDHN C[C@@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO[C@@H]1C1CC1 ZINC000767196196 1061142860 /nfs/dbraw/zinc/14/28/60/1061142860.db2.gz TULWBZZAHJTPIU-YADHBBJMSA-N 0 3 337.463 4.354 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1CCCO1 ZINC000529516341 1032414594 /nfs/dbraw/zinc/41/45/94/1032414594.db2.gz IRQVCEVDBZBSRZ-LJQANCHMSA-N 0 3 336.435 4.055 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1CCCO1 ZINC000529516341 1032414600 /nfs/dbraw/zinc/41/46/00/1032414600.db2.gz IRQVCEVDBZBSRZ-LJQANCHMSA-N 0 3 336.435 4.055 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000382435577 1019268657 /nfs/dbraw/zinc/26/86/57/1019268657.db2.gz VNCVOOCFSMGMES-INMHGKMJSA-N 0 3 348.487 4.126 20 10 EICDHN CC[C@H]([NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000382435580 1019274335 /nfs/dbraw/zinc/27/43/35/1019274335.db2.gz VNCVOOCFSMGMES-VYDXJSESSA-N 0 3 348.487 4.126 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccccc1[O-] ZINC000274894773 1019840868 /nfs/dbraw/zinc/84/08/68/1019840868.db2.gz KCVNRDABCSVZFU-GOSISDBHSA-N 0 3 325.456 4.018 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1ccccc1[O-] ZINC000155190957 1020330956 /nfs/dbraw/zinc/33/09/56/1020330956.db2.gz LHEVVSODJQDRRM-IBGZPJMESA-N 0 3 339.483 4.409 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1ccccc1[O-] ZINC000155191066 1020331019 /nfs/dbraw/zinc/33/10/19/1020331019.db2.gz LHEVVSODJQDRRM-LJQANCHMSA-N 0 3 339.483 4.409 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccccc1[O-] ZINC000155273691 1020427885 /nfs/dbraw/zinc/42/78/85/1020427885.db2.gz HALLMNRPWZSPIW-IBGZPJMESA-N 0 3 338.451 4.150 20 10 EICDHN CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1[O-] ZINC000155327142 1020488349 /nfs/dbraw/zinc/48/83/49/1020488349.db2.gz FAKUVDJYLCMPFQ-OAHLLOKOSA-N 0 3 333.815 4.058 20 10 EICDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000072727129 1021085143 /nfs/dbraw/zinc/08/51/43/1021085143.db2.gz LJQFSLXRJIWVLS-MRXNPFEDSA-N 0 3 336.435 4.120 20 10 EICDHN C[C@@H]([NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000310647539 1021386513 /nfs/dbraw/zinc/38/65/13/1021386513.db2.gz NWXWZZGPMYMXER-QRWLVFNGSA-N 0 3 348.487 4.080 20 10 EICDHN c1ccc2c(c1)CCSC[C@@H]2NCc1ccc(N2CCCC2)cc1 ZINC000177975342 1021836485 /nfs/dbraw/zinc/83/64/85/1021836485.db2.gz JWLBPHRKSUAMQS-NRFANRHFSA-N 0 3 338.520 4.407 20 10 EICDHN COc1ccc(CNCc2ccc(N(C)C3CCCCC3)cc2)cn1 ZINC000780519436 1022258376 /nfs/dbraw/zinc/25/83/76/1022258376.db2.gz SNPJAEDUNFEWRD-UHFFFAOYSA-N 0 3 339.483 4.149 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1[O-] ZINC000155838888 1022513206 /nfs/dbraw/zinc/51/32/06/1022513206.db2.gz GTNZANAZAMEABR-BLLLJJGKSA-N 0 3 333.403 4.350 20 10 EICDHN COc1cc(C)cc2c1OCC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000363855218 1022857444 /nfs/dbraw/zinc/85/74/44/1022857444.db2.gz MWGYJAUREMSFCQ-WBMJQRKESA-N 0 3 331.387 4.023 20 10 EICDHN Cc1cc(Br)cc(CN2CCCC(F)(F)CC2)c1O ZINC000702823675 1023063720 /nfs/dbraw/zinc/06/37/20/1023063720.db2.gz KDKBVGHZKGRGGW-UHFFFAOYSA-N 0 3 334.204 4.084 20 10 EICDHN Cc1cc(Br)cc(C[N@@H+]2CCCC(F)(F)CC2)c1[O-] ZINC000702823675 1023063724 /nfs/dbraw/zinc/06/37/24/1023063724.db2.gz KDKBVGHZKGRGGW-UHFFFAOYSA-N 0 3 334.204 4.084 20 10 EICDHN Cc1cc(Br)cc(C[N@H+]2CCCC(F)(F)CC2)c1[O-] ZINC000702823675 1023063733 /nfs/dbraw/zinc/06/37/33/1023063733.db2.gz KDKBVGHZKGRGGW-UHFFFAOYSA-N 0 3 334.204 4.084 20 10 EICDHN COc1cc(O)c(CN[C@@H](C)c2oc3ccccc3c2C)cc1OC ZINC000191783297 1023575378 /nfs/dbraw/zinc/57/53/78/1023575378.db2.gz PTVRGVXZWBNKOT-ZDUSSCGKSA-N 0 3 341.407 4.315 20 10 EICDHN C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1cc(F)ccc1[O-] ZINC000377745240 1023735293 /nfs/dbraw/zinc/73/52/93/1023735293.db2.gz NBHSRGHGTIOSLL-JLTOFOAXSA-N 0 3 341.426 4.276 20 10 EICDHN CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1nc(C)cs1 ZINC000150982942 1025242451 /nfs/dbraw/zinc/24/24/51/1025242451.db2.gz PTCRZFZRAIBPFU-SFHVURJKSA-N 0 3 345.512 4.170 20 10 EICDHN Cc1nc([C@H](C)NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n[nH]1 ZINC000894771580 1026413581 /nfs/dbraw/zinc/41/35/81/1026413581.db2.gz NYTULBPTYXDFDK-LBPRGKRZSA-N 0 3 344.503 4.265 20 10 EICDHN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2ccc(Br)cn2)c1 ZINC000281195297 1028432362 /nfs/dbraw/zinc/43/23/62/1028432362.db2.gz RNZKLBFIRGCDFU-VXGBXAGGSA-N 0 3 335.245 4.270 20 10 EICDHN COc1ccc(OC)c([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000193000944 1029655300 /nfs/dbraw/zinc/65/53/00/1029655300.db2.gz NBLIKNZOXXFDCY-HUUCEWRRSA-N 0 3 328.456 4.182 20 10 EICDHN COc1ccc(CNCc2ccc(Cl)cc2Cl)c(O)c1OC ZINC000892422528 1030854066 /nfs/dbraw/zinc/85/40/66/1030854066.db2.gz BUVJKSAMYOBUJZ-UHFFFAOYSA-N 0 3 342.222 4.006 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897433266 1030867501 /nfs/dbraw/zinc/86/75/01/1030867501.db2.gz TWKSOQHYAFIEFZ-UHFFFAOYSA-N 0 3 347.462 4.346 20 10 EICDHN COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c(OC)c1 ZINC000527974952 1030985801 /nfs/dbraw/zinc/98/58/01/1030985801.db2.gz WXNYVWVUJFPNHH-MKBNYLNASA-N 0 3 345.414 4.448 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C2CC(c3ccccc3OC)C2)c1[O-] ZINC000359955502 1031899503 /nfs/dbraw/zinc/89/95/03/1031899503.db2.gz IOWOCGLWZLSFOB-UHFFFAOYSA-N 0 3 347.842 4.099 20 10 EICDHN Cc1cnn(-c2ccc([C@H](C)[NH2+][C@H](C)c3ccccc3[O-])cc2F)c1 ZINC000359998248 1031905781 /nfs/dbraw/zinc/90/57/81/1031905781.db2.gz WQCANTISKVZIHK-LSDHHAIUSA-N 0 3 339.414 4.437 20 10 EICDHN COc1cc(Cl)cc(CNCc2cccc(Cl)c2OC)c1O ZINC000897481173 1031992128 /nfs/dbraw/zinc/99/21/28/1031992128.db2.gz AXGRGCYDBSJNDK-UHFFFAOYSA-N 0 3 342.222 4.006 20 10 EICDHN COc1cc(C)cc(CN[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000894206010 1034718590 /nfs/dbraw/zinc/71/85/90/1034718590.db2.gz BNPMPMFPDADXEF-GOSISDBHSA-N 0 3 339.439 4.072 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(C)cc1[O-] ZINC000280142170 1035176597 /nfs/dbraw/zinc/17/65/97/1035176597.db2.gz PRKSYMKLEHCCBM-GOSISDBHSA-N 0 3 339.414 4.266 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)c1[O-] ZINC000761197936 1036012762 /nfs/dbraw/zinc/01/27/62/1036012762.db2.gz HOVLUJNZJVLPNP-UHFFFAOYSA-N 0 3 344.842 4.442 20 10 EICDHN COc1cc(Cl)cc(CN2CCC[C@H]2c2ccccc2OC)c1O ZINC000761194245 1036017566 /nfs/dbraw/zinc/01/75/66/1036017566.db2.gz SBVFHASMHBDMBE-INIZCTEOSA-N 0 3 347.842 4.400 20 10 EICDHN c1cncc(-c2ccc(CNCc3ccc4c(c3)CCCO4)cc2)c1 ZINC000906486945 1036293131 /nfs/dbraw/zinc/29/31/31/1036293131.db2.gz XZJDPXOPGZZNFT-UHFFFAOYSA-N 0 3 330.431 4.363 20 10 EICDHN COCC[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccco1 ZINC000273425205 1037459994 /nfs/dbraw/zinc/45/99/94/1037459994.db2.gz KBKFXELNVOHRNC-KDOFPFPSSA-N 0 3 329.440 4.292 20 10 EICDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cc(F)cc(F)c1 ZINC000163611472 1038004586 /nfs/dbraw/zinc/00/45/86/1038004586.db2.gz PRJGXRAPVQKQKM-CQSZACIVSA-N 0 3 348.462 4.369 20 10 EICDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1 ZINC000173331311 1038255943 /nfs/dbraw/zinc/25/59/43/1038255943.db2.gz PDNDAIRDXSTWEY-CQSZACIVSA-N 0 3 348.462 4.369 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C)cc1[O-] ZINC000280058466 1039373535 /nfs/dbraw/zinc/37/35/35/1039373535.db2.gz KEQXWWSWLCJCJJ-PIFXAOAFSA-N 0 3 331.481 4.240 20 10 EICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(OCC(C)C)CC3)c2c1 ZINC000054571254 1039380896 /nfs/dbraw/zinc/38/08/96/1039380896.db2.gz OJNPKRGYYWBUJR-UHFFFAOYSA-N 0 3 343.467 4.191 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2cncs2)c1[O-] ZINC000903312309 1041013893 /nfs/dbraw/zinc/01/38/93/1041013893.db2.gz UHSOBJRMRYGPEO-ZJUUUORDSA-N 0 3 341.274 4.331 20 10 EICDHN CCN(CC)c1ccc(CN[C@H]2CCc3c2cccc3O)cc1F ZINC000152194100 1042711337 /nfs/dbraw/zinc/71/13/37/1042711337.db2.gz TUWNCEYEZJWMAC-SFHVURJKSA-N 0 3 328.431 4.155 20 10 EICDHN CC[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000152600370 1042914311 /nfs/dbraw/zinc/91/43/11/1042914311.db2.gz KJHZHVCSOWSCHV-QFIPXVFZSA-N 0 3 348.494 4.238 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(F)cc1N(C)C ZINC000766030028 1043066013 /nfs/dbraw/zinc/06/60/13/1043066013.db2.gz SNFRPMGPFJEJQH-OAHLLOKOSA-N 0 3 329.463 4.117 20 10 EICDHN Cc1cccn2cc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)nc12 ZINC000732204620 1043887130 /nfs/dbraw/zinc/88/71/30/1043887130.db2.gz PDDOJGRYYARGEW-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN Cc1cccn2cc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)nc12 ZINC000732204620 1043887135 /nfs/dbraw/zinc/88/71/35/1043887135.db2.gz PDDOJGRYYARGEW-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN Cc1ccccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000733334627 1044199748 /nfs/dbraw/zinc/19/97/48/1044199748.db2.gz MZSLXQQURFVAAN-LJQANCHMSA-N 0 3 344.886 4.108 20 10 EICDHN C[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1cc(F)ccc1[O-] ZINC000186520599 1044251608 /nfs/dbraw/zinc/25/16/08/1044251608.db2.gz MPSMBHMEKRCFNK-HNNXBMFYSA-N 0 3 345.414 4.096 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000766136010 1044322966 /nfs/dbraw/zinc/32/29/66/1044322966.db2.gz GVACKCQUWVHXGO-GCJKJVERSA-N 0 3 348.494 4.431 20 10 EICDHN COc1cc([C@H](C)NCc2ccc3c(c2)CCCN3C)ccc1F ZINC000153392358 1044841895 /nfs/dbraw/zinc/84/18/95/1044841895.db2.gz GFHZZMKBNHXHOW-AWEZNQCLSA-N 0 3 328.431 4.068 20 10 EICDHN CCN(CC)c1ccc(CNC2(c3ccc(OC)cc3)CC2)cc1F ZINC000740007346 1045175019 /nfs/dbraw/zinc/17/50/19/1045175019.db2.gz RXOWGTAHYRAJPH-UHFFFAOYSA-N 0 3 342.458 4.459 20 10 EICDHN CN(C)c1ccc(CN(C)Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000768129632 1045721531 /nfs/dbraw/zinc/72/15/31/1045721531.db2.gz ILXDBMLBWYBQMA-UHFFFAOYSA-N 0 3 338.373 4.125 20 10 EICDHN C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000768163592 1045731994 /nfs/dbraw/zinc/73/19/94/1045731994.db2.gz ZVEQHUUYSRIBMJ-SUMDDJOVSA-N 0 3 341.451 4.290 20 10 EICDHN CCOc1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c([O-])c1 ZINC000768202882 1045741173 /nfs/dbraw/zinc/74/11/73/1045741173.db2.gz CPEOFRQIMZQKAX-QGZVFWFLSA-N 0 3 347.480 4.034 20 10 EICDHN CCOc1ccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c([O-])c1 ZINC000768202882 1045741154 /nfs/dbraw/zinc/74/11/54/1045741154.db2.gz CPEOFRQIMZQKAX-QGZVFWFLSA-N 0 3 347.480 4.034 20 10 EICDHN CCOc1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)c(O)c1 ZINC000768202882 1045741196 /nfs/dbraw/zinc/74/11/96/1045741196.db2.gz CPEOFRQIMZQKAX-QGZVFWFLSA-N 0 3 347.480 4.034 20 10 EICDHN COc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@@H](C)c3c1c([O-])ccc3F)CCO2 ZINC000768288158 1045777760 /nfs/dbraw/zinc/77/77/60/1045777760.db2.gz XKNFSMCVXLLGBZ-RLCCDNCMSA-N 0 3 343.398 4.202 20 10 EICDHN C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000768526105 1045815822 /nfs/dbraw/zinc/81/58/22/1045815822.db2.gz KHEMEJKOXWKKRF-ZDUSSCGKSA-N 0 3 339.357 4.402 20 10 EICDHN CCOc1ccc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c([O-])c1 ZINC000768530725 1045816758 /nfs/dbraw/zinc/81/67/58/1045816758.db2.gz RAAZHXWJIWZFQW-UHFFFAOYSA-N 0 3 341.451 4.143 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1[O-] ZINC000792191951 1045876064 /nfs/dbraw/zinc/87/60/64/1045876064.db2.gz GMEHJMQNIKXEPD-HNNXBMFYSA-N 0 3 339.863 4.026 20 10 EICDHN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000769086466 1045880921 /nfs/dbraw/zinc/88/09/21/1045880921.db2.gz LYIHKHAYGBZHFL-OAQYLSRUSA-N 0 3 336.479 4.106 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc2c1OCO2)C1CCCC1 ZINC000769384138 1045941510 /nfs/dbraw/zinc/94/15/10/1045941510.db2.gz LIOQASSXRJQFAB-UHFFFAOYSA-N 0 3 325.408 4.066 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2c1OCO2)C1CCCC1 ZINC000769384138 1045941523 /nfs/dbraw/zinc/94/15/23/1045941523.db2.gz LIOQASSXRJQFAB-UHFFFAOYSA-N 0 3 325.408 4.066 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c([O-])c1 ZINC000769461915 1045983149 /nfs/dbraw/zinc/98/31/49/1045983149.db2.gz ZIQAQYRYQDMMAJ-FQEVSTJZSA-N 0 3 340.467 4.194 20 10 EICDHN CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c([O-])c1 ZINC000769461915 1045983163 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CCOc1ccc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)c([O-])c1 ZINC000769538834 1046012591 /nfs/dbraw/zinc/01/25/91/1046012591.db2.gz XUJCDWJRECYRHM-UHFFFAOYSA-N 0 3 329.440 4.210 20 10 EICDHN CCOc1ccc(C[N@H+](C)Cc2cccc(OC(C)C)c2)c([O-])c1 ZINC000769538834 1046012573 /nfs/dbraw/zinc/01/25/73/1046012573.db2.gz XUJCDWJRECYRHM-UHFFFAOYSA-N 0 3 329.440 4.210 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)c([O-])c1 ZINC000769989123 1046123888 /nfs/dbraw/zinc/12/38/88/1046123888.db2.gz PQVCRMZVSVRKMC-AWEZNQCLSA-N 0 3 326.415 4.225 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)c([O-])c1 ZINC000769989127 1046124063 /nfs/dbraw/zinc/12/40/63/1046124063.db2.gz PQVCRMZVSVRKMC-CQSZACIVSA-N 0 3 326.415 4.225 20 10 EICDHN C[C@@H](CC(F)(F)F)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000793082824 1046136850 /nfs/dbraw/zinc/13/68/50/1046136850.db2.gz YZJKGRVTPGGGAK-VIFPVBQESA-N 0 3 328.300 4.202 20 10 EICDHN CN(C)c1ccc(CN2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000770281829 1046167542 /nfs/dbraw/zinc/16/75/42/1046167542.db2.gz XECXFKRNBDEBGY-KRWDZBQOSA-N 0 3 328.481 4.052 20 10 EICDHN CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2ncccc2[O-])cc1 ZINC000793255881 1046193155 /nfs/dbraw/zinc/19/31/55/1046193155.db2.gz DRUSLRYGHNBGRM-UHFFFAOYSA-N 0 3 347.462 4.104 20 10 EICDHN CCOc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000793351991 1046223303 /nfs/dbraw/zinc/22/33/03/1046223303.db2.gz LJNSITSLLUWAEA-QAPCUYQASA-N 0 3 329.415 4.356 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000793351990 1046224256 /nfs/dbraw/zinc/22/42/56/1046224256.db2.gz LJNSITSLLUWAEA-MAUKXSAKSA-N 0 3 329.415 4.356 20 10 EICDHN COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c(O)c1 ZINC000793387612 1046228967 /nfs/dbraw/zinc/22/89/67/1046228967.db2.gz ILSNSXBOXIEXPM-UHFFFAOYSA-N 0 3 335.403 4.063 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)c2c1 ZINC000793522742 1046261865 /nfs/dbraw/zinc/26/18/65/1046261865.db2.gz FDHYBJZRBNJHSO-ZWKOTPCHSA-N 0 3 333.378 4.031 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)c2c1 ZINC000793522742 1046261885 /nfs/dbraw/zinc/26/18/85/1046261885.db2.gz FDHYBJZRBNJHSO-ZWKOTPCHSA-N 0 3 333.378 4.031 20 10 EICDHN CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000771891182 1046521625 /nfs/dbraw/zinc/52/16/25/1046521625.db2.gz ZBTAXGPQAGWCBF-FPOVZHCZSA-N 0 3 325.452 4.352 20 10 EICDHN Cc1cc(CCN[C@@H](C)c2nccs2)c(C)n1-c1ccccc1 ZINC000772441176 1046635797 /nfs/dbraw/zinc/63/57/97/1046635797.db2.gz JRPLZKHRBYXZBD-HNNXBMFYSA-N 0 3 325.481 4.444 20 10 EICDHN CC(C)N(Cc1cnn(-c2ccccc2)c1)Cc1ccc(N(C)C)cc1 ZINC000917075375 1046638977 /nfs/dbraw/zinc/63/89/77/1046638977.db2.gz UKYRFLOIDZKBKI-UHFFFAOYSA-N 0 3 348.494 4.349 20 10 EICDHN CC(C)([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CCOCC1 ZINC000785606141 1046718712 /nfs/dbraw/zinc/71/87/12/1046718712.db2.gz KJWMFYHPQARGIC-UHFFFAOYSA-N 0 3 325.452 4.354 20 10 EICDHN c1coc(COCc2cccc(CNCc3ccc4c(c3)CCO4)c2)c1 ZINC000917394900 1046861109 /nfs/dbraw/zinc/86/11/09/1046861109.db2.gz WGHGIEINEQTWLU-UHFFFAOYSA-N 0 3 349.430 4.221 20 10 EICDHN COC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])c1ccc(Cl)cc1 ZINC000787302420 1046985634 /nfs/dbraw/zinc/98/56/34/1046985634.db2.gz LUCAXLZJMDDQRQ-MRXNPFEDSA-N 0 3 340.250 4.485 20 10 EICDHN COC[C@@H](NCc1cc(Cl)cc(C)c1O)c1ccc(Cl)cc1 ZINC000787302420 1046985654 /nfs/dbraw/zinc/98/56/54/1046985654.db2.gz LUCAXLZJMDDQRQ-MRXNPFEDSA-N 0 3 340.250 4.485 20 10 EICDHN C[C@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000806175964 1047162885 /nfs/dbraw/zinc/16/28/85/1047162885.db2.gz GPUMFPSTDAMNBP-LIRRHRJNSA-N 0 3 332.875 4.180 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000806181565 1047193770 /nfs/dbraw/zinc/19/37/70/1047193770.db2.gz YBRYFVVKFDIHLT-FFSVYQOJSA-N 0 3 349.833 4.099 20 10 EICDHN CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593639 1047241524 /nfs/dbraw/zinc/24/15/24/1047241524.db2.gz HEVWHMDXGMMTQI-KGLIPLIRSA-N 0 3 344.421 4.182 20 10 EICDHN CC[C@H](NCc1cc(-c2cccc(OC)c2)no1)c1ccccc1O ZINC000897842840 1047494087 /nfs/dbraw/zinc/49/40/87/1047494087.db2.gz ZVYRQWYMZMROFB-SFHVURJKSA-N 0 3 338.407 4.297 20 10 EICDHN CC[C@H]([NH2+]Cc1cc(-c2cccc(OC)c2)no1)c1ccccc1[O-] ZINC000897842840 1047494090 /nfs/dbraw/zinc/49/40/90/1047494090.db2.gz ZVYRQWYMZMROFB-SFHVURJKSA-N 0 3 338.407 4.297 20 10 EICDHN COc1ccc2ccc(O)c(CN3CCC[C@@H]3c3cc(C)on3)c2c1 ZINC000747448178 1047586235 /nfs/dbraw/zinc/58/62/35/1047586235.db2.gz CLJGTYJAKBKYSK-LJQANCHMSA-N 0 3 338.407 4.188 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000814170269 1047873325 /nfs/dbraw/zinc/87/33/25/1047873325.db2.gz UCPAOHSQXPMKKK-RTWAWAEBSA-N 0 3 337.394 4.096 20 10 EICDHN Cc1ccc(O)c(CNCc2ccncc2OCCC(C)(C)C)c1 ZINC000808435840 1047900540 /nfs/dbraw/zinc/90/05/40/1047900540.db2.gz YWSLVRVQDDZNME-UHFFFAOYSA-N 0 3 328.456 4.200 20 10 EICDHN Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808673653 1048045532 /nfs/dbraw/zinc/04/55/32/1048045532.db2.gz RMWPJSHLOCQIBC-ZDUSSCGKSA-N 0 3 343.858 4.363 20 10 EICDHN COc1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1OC ZINC000808677870 1048049292 /nfs/dbraw/zinc/04/92/92/1048049292.db2.gz GJLFUFJUTGXXMO-GFCCVEGCSA-N 0 3 335.831 4.222 20 10 EICDHN CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808678542 1048049556 /nfs/dbraw/zinc/04/95/56/1048049556.db2.gz SWIZBWMEHUMZKU-AWEZNQCLSA-N 0 3 347.890 4.446 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000808707069 1048053545 /nfs/dbraw/zinc/05/35/45/1048053545.db2.gz ZPNCDGZDHBMUJR-VNBZBWLYSA-N 0 3 337.822 4.266 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1[O-] ZINC000808718179 1048065481 /nfs/dbraw/zinc/06/54/81/1048065481.db2.gz QCVYTKATPUTABC-GFCCVEGCSA-N 0 3 329.831 4.124 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1[O-] ZINC000808695277 1048075786 /nfs/dbraw/zinc/07/57/86/1048075786.db2.gz KLZHTBODDKCBJQ-MNOVXSKESA-N 0 3 345.830 4.348 20 10 EICDHN CCN(C)c1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000815118359 1048332867 /nfs/dbraw/zinc/33/28/67/1048332867.db2.gz NYYQLJYBOXBJFI-IBGZPJMESA-N 0 3 332.875 4.009 20 10 EICDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171146395 1048457482 /nfs/dbraw/zinc/45/74/82/1048457482.db2.gz CEDHMNJTGGJPRO-CYBMUJFWSA-N 0 3 338.234 4.052 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000809699832 1048464839 /nfs/dbraw/zinc/46/48/39/1048464839.db2.gz XNNHYNRSAGJGPM-JOCHJYFZSA-N 0 3 333.431 4.128 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000809699832 1048464857 /nfs/dbraw/zinc/46/48/57/1048464857.db2.gz XNNHYNRSAGJGPM-JOCHJYFZSA-N 0 3 333.431 4.128 20 10 EICDHN C[C@@H]1CCCN1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815585172 1048523738 /nfs/dbraw/zinc/52/37/38/1048523738.db2.gz ZZFQUPUZZPGZBZ-NQIIRXRSSA-N 0 3 338.495 4.140 20 10 EICDHN C[C@@H]1C[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCO1 ZINC000815590532 1048527816 /nfs/dbraw/zinc/52/78/16/1048527816.db2.gz ZBDFGQNTSWSQTA-SLYNCCJLSA-N 0 3 339.479 4.471 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1(O)CCCCC1 ZINC000815572371 1048534529 /nfs/dbraw/zinc/53/45/29/1048534529.db2.gz BIWVQIRENNTPDF-HXUWFJFHSA-N 0 3 339.479 4.351 20 10 EICDHN COC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])c1cccc(Cl)c1 ZINC000809792915 1048537122 /nfs/dbraw/zinc/53/71/22/1048537122.db2.gz KXYQNQLJWQNOBQ-MRXNPFEDSA-N 0 3 340.250 4.485 20 10 EICDHN COC[C@@H](NCc1cc(Cl)cc(C)c1O)c1cccc(Cl)c1 ZINC000809792915 1048537129 /nfs/dbraw/zinc/53/71/29/1048537129.db2.gz KXYQNQLJWQNOBQ-MRXNPFEDSA-N 0 3 340.250 4.485 20 10 EICDHN CCOC(C)(C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815618045 1048544618 /nfs/dbraw/zinc/54/46/18/1048544618.db2.gz CGMXVNLCNRNVSM-IBGZPJMESA-N 0 3 327.468 4.471 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000815627482 1048550420 /nfs/dbraw/zinc/55/04/20/1048550420.db2.gz BWULJVCHTVOYAM-DLBZAZTESA-N 0 3 342.458 4.325 20 10 EICDHN CSc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000815659986 1048561135 /nfs/dbraw/zinc/56/11/35/1048561135.db2.gz PHDUZVFUKFDEAN-KBXCAEBGSA-N 0 3 330.497 4.068 20 10 EICDHN CSc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])N(C)C)cc1 ZINC000815660186 1048561275 /nfs/dbraw/zinc/56/12/75/1048561275.db2.gz UBDWRWWSTMKXOJ-HNAYVOBHSA-N 0 3 344.524 4.376 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2ccc(CSC(F)F)o2)c1 ZINC000845971871 1048771244 /nfs/dbraw/zinc/77/12/44/1048771244.db2.gz GFDGYOOELMEJPF-SNVBAGLBSA-N 0 3 343.395 4.300 20 10 EICDHN CCOc1c(Cl)cccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000845972836 1048772747 /nfs/dbraw/zinc/77/27/47/1048772747.db2.gz VCXDXMBLYLNMOJ-GFCCVEGCSA-N 0 3 335.831 4.304 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1[O-] ZINC000846111171 1048815918 /nfs/dbraw/zinc/81/59/18/1048815918.db2.gz SFTWWURCYAPNAC-JTQLQIEISA-N 0 3 338.662 4.118 20 10 EICDHN CCOc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c(O)c1 ZINC000846053957 1048807441 /nfs/dbraw/zinc/80/74/41/1048807441.db2.gz ZJUXDCYASLXPBI-QGZVFWFLSA-N 0 3 345.414 4.322 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)c([O-])c1 ZINC000846053957 1048807446 /nfs/dbraw/zinc/80/74/46/1048807446.db2.gz ZJUXDCYASLXPBI-QGZVFWFLSA-N 0 3 345.414 4.322 20 10 EICDHN COc1ccc(O)c([C@H](C)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846051604 1048807516 /nfs/dbraw/zinc/80/75/16/1048807516.db2.gz HBJCACMIKWFTFK-YVEFUNNKSA-N 0 3 345.414 4.493 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2CCSCC2)c1[O-] ZINC000779025620 1048811133 /nfs/dbraw/zinc/81/11/33/1048811133.db2.gz TYALMEQFCBJOAR-NSHDSACASA-N 0 3 344.318 4.257 20 10 EICDHN COc1cccc([C@H](C)NC2(c3ccc(F)cc3F)CCC2)c1O ZINC000846159542 1048826272 /nfs/dbraw/zinc/82/62/72/1048826272.db2.gz HINXJKHUIBWNIM-LBPRGKRZSA-N 0 3 333.378 4.409 20 10 EICDHN COc1cccc([C@@H](C)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000846169160 1048828205 /nfs/dbraw/zinc/82/82/05/1048828205.db2.gz PIOYZSGXJYCUPS-NOZJJQNGSA-N 0 3 337.341 4.156 20 10 EICDHN COc1cccc([C@@H](C)N[C@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000846169161 1048828608 /nfs/dbraw/zinc/82/86/08/1048828608.db2.gz PIOYZSGXJYCUPS-RNCFNFMXSA-N 0 3 337.341 4.156 20 10 EICDHN COc1cccc([C@H](C)N[C@H]2CCOc3c(Cl)cccc32)c1O ZINC000846141207 1048830785 /nfs/dbraw/zinc/83/07/85/1048830785.db2.gz FYVSGTXJNUZMRT-NHYWBVRUSA-N 0 3 333.815 4.229 20 10 EICDHN COc1cccc([C@H](C)N[C@@H]2CCOc3c(Cl)cccc32)c1O ZINC000846141210 1048830868 /nfs/dbraw/zinc/83/08/68/1048830868.db2.gz FYVSGTXJNUZMRT-XHDPSFHLSA-N 0 3 333.815 4.229 20 10 EICDHN Cc1ccc([C@@H](C)N[C@H](Cc2ccccc2)c2nccn2C)c(O)c1C ZINC000846208152 1048833489 /nfs/dbraw/zinc/83/34/89/1048833489.db2.gz WBPFJRGVVGQTCT-YLJYHZDGSA-N 0 3 349.478 4.377 20 10 EICDHN C[C@H](O)[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1F ZINC000846182972 1048836147 /nfs/dbraw/zinc/83/61/47/1048836147.db2.gz MNUIMUGUGCCUFI-DGCWBMGLSA-N 0 3 343.442 4.183 20 10 EICDHN COc1cc(Cl)cc(CN2CCC[C@H](CC(F)(F)F)C2)c1O ZINC000817412133 1048964827 /nfs/dbraw/zinc/96/48/27/1048964827.db2.gz DKJYTATVBKJWLX-SNVBAGLBSA-N 0 3 337.769 4.219 20 10 EICDHN C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(N(C)C)cc1 ZINC000817974852 1049074649 /nfs/dbraw/zinc/07/46/49/1049074649.db2.gz GRHBIOKLGIQPHP-AUUYWEPGSA-N 0 3 339.483 4.288 20 10 EICDHN COc1cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781165 1049262884 /nfs/dbraw/zinc/26/28/84/1049262884.db2.gz ZFQIASWOEGPDNC-PKOBYXMFSA-N 0 3 347.499 4.088 20 10 EICDHN CC(C)(C)[PH+](CCCNC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC001148225879 1049283417 /nfs/dbraw/zinc/28/34/17/1049283417.db2.gz VUZONPOWRDDZOX-UHFFFAOYSA-N 0 3 339.416 4.297 20 10 EICDHN Cc1ccsc1[C@@H](CO)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773050961 1049554495 /nfs/dbraw/zinc/55/44/95/1049554495.db2.gz VWMLSLMQKPJMMH-VQIMIIECSA-N 0 3 344.524 4.431 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000812772313 1049570265 /nfs/dbraw/zinc/57/02/65/1049570265.db2.gz KLSHHQNDJNUVLP-AWEZNQCLSA-N 0 3 348.849 4.109 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544672 1049737008 /nfs/dbraw/zinc/73/70/08/1049737008.db2.gz XTTAYSVLBHUYFD-CQSZACIVSA-N 0 3 335.369 4.189 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171544672 1049737015 /nfs/dbraw/zinc/73/70/15/1049737015.db2.gz XTTAYSVLBHUYFD-CQSZACIVSA-N 0 3 335.369 4.189 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000813884586 1049831725 /nfs/dbraw/zinc/83/17/25/1049831725.db2.gz XGAOFNSCJUDCHC-MAUKXSAKSA-N 0 3 328.431 4.159 20 10 EICDHN C[C@H](NCc1ccc2c(c1)OCCCCO2)c1ccc(N(C)C)cc1 ZINC000824195468 1049905321 /nfs/dbraw/zinc/90/53/21/1049905321.db2.gz GFPSDACWJLWNAF-INIZCTEOSA-N 0 3 340.467 4.155 20 10 EICDHN Fc1ccc(CNCc2ccc3c(c2)CCCO3)c(C(F)(F)F)c1 ZINC001177268224 1050183375 /nfs/dbraw/zinc/18/33/75/1050183375.db2.gz RSJHAXBNXSTBRD-UHFFFAOYSA-N 0 3 339.332 4.459 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079052 1050295115 /nfs/dbraw/zinc/29/51/15/1050295115.db2.gz VDPFXCFODKBTHE-RDJZCZTQSA-N 0 3 348.487 4.002 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079052 1050295119 /nfs/dbraw/zinc/29/51/19/1050295119.db2.gz VDPFXCFODKBTHE-RDJZCZTQSA-N 0 3 348.487 4.002 20 10 EICDHN CCN(Cc1ccccn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183066942 1050963958 /nfs/dbraw/zinc/96/39/58/1050963958.db2.gz NPBZGJWCQQRDIZ-UHFFFAOYSA-N 0 3 348.446 4.388 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1[O-] ZINC001180521167 1051014589 /nfs/dbraw/zinc/01/45/89/1051014589.db2.gz JNIHFGVOGRDGHR-KRWDZBQOSA-N 0 3 331.843 4.261 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1[O-] ZINC001180521167 1051014601 /nfs/dbraw/zinc/01/46/01/1051014601.db2.gz JNIHFGVOGRDGHR-KRWDZBQOSA-N 0 3 331.843 4.261 20 10 EICDHN CCN(C)c1ccc(CN2CCC[C@@H]2c2ccc(COC)o2)cc1 ZINC000773862422 1051023705 /nfs/dbraw/zinc/02/37/05/1051023705.db2.gz YQBYOSFTXWDKJQ-LJQANCHMSA-N 0 3 328.456 4.219 20 10 EICDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(C(F)(F)F)c1 ZINC000183482752 1051132861 /nfs/dbraw/zinc/13/28/61/1051132861.db2.gz LVRMUZMAIRCPJM-NSHDSACASA-N 0 3 325.330 4.270 20 10 EICDHN CCCOc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000775365834 1051134439 /nfs/dbraw/zinc/13/44/39/1051134439.db2.gz XYEJZUGVBBDHCO-MRXNPFEDSA-N 0 3 342.483 4.401 20 10 EICDHN COc1ccccc1SC[C@@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183595149 1051177777 /nfs/dbraw/zinc/17/77/77/1051177777.db2.gz AGVLLJFKRPIZSF-LSDHHAIUSA-N 0 3 331.481 4.480 20 10 EICDHN Cc1cc([O-])c(C[NH+]2CCC(Oc3ccncc3C)CC2)c(Cl)c1 ZINC001181383679 1051215579 /nfs/dbraw/zinc/21/55/79/1051215579.db2.gz YEOZWXLLTDSRCE-UHFFFAOYSA-N 0 3 346.858 4.101 20 10 EICDHN CC[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Cl)c1ccccc1[O-] ZINC000775411720 1051276644 /nfs/dbraw/zinc/27/66/44/1051276644.db2.gz HVNWHOOQPASVJC-OAHLLOKOSA-N 0 3 332.831 4.033 20 10 EICDHN CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000774160786 1051488421 /nfs/dbraw/zinc/48/84/21/1051488421.db2.gz BDMWMNYXOOHWDL-QWHCGFSZSA-N 0 3 345.314 4.470 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000775496228 1051599503 /nfs/dbraw/zinc/59/95/03/1051599503.db2.gz IABWOCJOMMTNQV-WMLDXEAASA-N 0 3 327.424 4.183 20 10 EICDHN Cc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774484866 1051613474 /nfs/dbraw/zinc/61/34/74/1051613474.db2.gz RTDITGWRQMLTFQ-IAGOWNOFSA-N 0 3 339.483 4.047 20 10 EICDHN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774484868 1051613691 /nfs/dbraw/zinc/61/36/91/1051613691.db2.gz RTDITGWRQMLTFQ-IRXDYDNUSA-N 0 3 339.483 4.047 20 10 EICDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2ccccc2OC(F)F)c1 ZINC000273440147 1051622085 /nfs/dbraw/zinc/62/20/85/1051622085.db2.gz YELLKTLTTHUBAV-NEPJUHHUSA-N 0 3 337.366 4.414 20 10 EICDHN CCOC(=O)CCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC001192316289 1051689139 /nfs/dbraw/zinc/68/91/39/1051689139.db2.gz YCQLUPDFJCVEBH-QGZVFWFLSA-N 0 3 341.451 4.299 20 10 EICDHN CCOC(=O)CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC001192316289 1051689148 /nfs/dbraw/zinc/68/91/48/1051689148.db2.gz YCQLUPDFJCVEBH-QGZVFWFLSA-N 0 3 341.451 4.299 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000775526597 1051719804 /nfs/dbraw/zinc/71/98/04/1051719804.db2.gz SHJRNSNOLQLHMF-CRAIPNDOSA-N 0 3 328.431 4.241 20 10 EICDHN Cc1cc(C[N@H+](C)Cc2cccc(F)c2)c([O-])cc1Br ZINC001250120654 1051879753 /nfs/dbraw/zinc/87/97/53/1051879753.db2.gz LQQBNTZVYUBDRC-UHFFFAOYSA-N 0 3 338.220 4.234 20 10 EICDHN Cc1cc(C[N@@H+](C)Cc2cccc(F)c2)c([O-])cc1Br ZINC001250120654 1051879759 /nfs/dbraw/zinc/87/97/59/1051879759.db2.gz LQQBNTZVYUBDRC-UHFFFAOYSA-N 0 3 338.220 4.234 20 10 EICDHN CN(C)c1ccc(/C=C\CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798520 1051900154 /nfs/dbraw/zinc/90/01/54/1051900154.db2.gz FPCNPAUOPDCJRG-MJSXRHKHSA-N 0 3 342.380 4.132 20 10 EICDHN CCOc1cc2c(cc1CN[C@H](C)c1cc(C)ccc1O)O[C@@H](C)C2 ZINC000184897873 1052297692 /nfs/dbraw/zinc/29/76/92/1052297692.db2.gz OTJAVBWZXIBWCY-LSDHHAIUSA-N 0 3 341.451 4.274 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)c([O-])c1 ZINC000185546777 1052636192 /nfs/dbraw/zinc/63/61/92/1052636192.db2.gz QSIUSVZQWFTOFS-FTRWYGJKSA-N 0 3 344.524 4.496 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000186003378 1052841248 /nfs/dbraw/zinc/84/12/48/1052841248.db2.gz OHEXVZREQBEKDX-YVEFUNNKSA-N 0 3 339.357 4.104 20 10 EICDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654954 1053251030 /nfs/dbraw/zinc/25/10/30/1053251030.db2.gz DQRMHMNMLDDWQR-MFKMUULPSA-N 0 3 331.378 4.168 20 10 EICDHN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000794654955 1053253954 /nfs/dbraw/zinc/25/39/54/1053253954.db2.gz DQRMHMNMLDDWQR-ZWNOBZJWSA-N 0 3 331.378 4.168 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1[O-] ZINC000850537601 1053302706 /nfs/dbraw/zinc/30/27/06/1053302706.db2.gz WESCVOONCDFRFT-TVQRCGJNSA-N 0 3 334.204 4.159 20 10 EICDHN CCOc1cc2c(cc1OCC)CN(Cc1cccc(C)c1O)CC2 ZINC000775646901 1053345403 /nfs/dbraw/zinc/34/54/03/1053345403.db2.gz LHIJNYXZLXJUEF-UHFFFAOYSA-N 0 3 341.451 4.056 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1ccco1)N(CC)CC)c1ccc(C)cc1[O-] ZINC000794802398 1053383343 /nfs/dbraw/zinc/38/33/43/1053383343.db2.gz FCJCSNHAUOIYGV-ROUUACIJSA-N 0 3 330.472 4.417 20 10 EICDHN CC[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794801071 1053383957 /nfs/dbraw/zinc/38/39/57/1053383957.db2.gz IAJJUIZXQDVTAM-VQTJNVASSA-N 0 3 335.451 4.379 20 10 EICDHN CC[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794801074 1053384616 /nfs/dbraw/zinc/38/46/16/1053384616.db2.gz IAJJUIZXQDVTAM-WOJBJXKFSA-N 0 3 335.451 4.379 20 10 EICDHN CC[C@@H]([NH2+]CCc1cccc(OC)c1OC)c1ccc(C)cc1[O-] ZINC000794798598 1053385237 /nfs/dbraw/zinc/38/52/37/1053385237.db2.gz WJIWHJDLKTUCKA-QGZVFWFLSA-N 0 3 329.440 4.001 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794794386 1053386158 /nfs/dbraw/zinc/38/61/58/1053386158.db2.gz MXHLITCALIKGGI-WMLDXEAASA-N 0 3 327.424 4.274 20 10 EICDHN CC[C@@H](NCc1cn2cc(Cl)ccc2n1)c1ccc(C)cc1O ZINC000794793680 1053390151 /nfs/dbraw/zinc/39/01/51/1053390151.db2.gz AIOWSHGABBABCJ-MRXNPFEDSA-N 0 3 329.831 4.243 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(C)cc1OCCOC)c1ccc(C)cc1[O-] ZINC000794809641 1053416059 /nfs/dbraw/zinc/41/60/59/1053416059.db2.gz HEKODVLGLPVLED-IBGZPJMESA-N 0 3 343.467 4.275 20 10 EICDHN CC[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(C)cc1[O-] ZINC000794813318 1053419415 /nfs/dbraw/zinc/41/94/15/1053419415.db2.gz CEUGHAHDGABFPT-MRXNPFEDSA-N 0 3 341.430 4.010 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)c1ccc(C)cc1[O-] ZINC000794812808 1053421665 /nfs/dbraw/zinc/42/16/65/1053421665.db2.gz ZFNVOVILNVYWME-AEFFLSMTSA-N 0 3 340.467 4.029 20 10 EICDHN CC[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(C)cc1[O-] ZINC000794811957 1053428186 /nfs/dbraw/zinc/42/81/86/1053428186.db2.gz UZLFQGDHAGPHHR-HNNXBMFYSA-N 0 3 330.497 4.319 20 10 EICDHN CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccc(C)cc1[O-] ZINC000794812422 1053428394 /nfs/dbraw/zinc/42/83/94/1053428394.db2.gz CNUZVZHSMLJPOJ-MJGOQNOKSA-N 0 3 333.859 4.302 20 10 EICDHN CC[C@H](N[C@@H](COC)c1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794816612 1053431846 /nfs/dbraw/zinc/43/18/46/1053431846.db2.gz LOURPKNANSQJQD-ROUUACIJSA-N 0 3 335.394 4.407 20 10 EICDHN CC[C@@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)c1ccc(C)cc1[O-] ZINC000794817823 1053432389 /nfs/dbraw/zinc/43/23/89/1053432389.db2.gz RJDBHDWURXOMNI-GOSISDBHSA-N 0 3 342.439 4.162 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cnc2ccccc2n1)C1CCCC1 ZINC000851771215 1053516055 /nfs/dbraw/zinc/51/60/55/1053516055.db2.gz YTFWIGWCUQMXIL-UHFFFAOYSA-N 0 3 333.435 4.280 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cnc2ccccc2n1)C1CCCC1 ZINC000851771215 1053516067 /nfs/dbraw/zinc/51/60/67/1053516067.db2.gz YTFWIGWCUQMXIL-UHFFFAOYSA-N 0 3 333.435 4.280 20 10 EICDHN C[C@H](N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000765391431 1053526838 /nfs/dbraw/zinc/52/68/38/1053526838.db2.gz FLVCXQUXGPBNDM-IFXJQAMLSA-N 0 3 328.431 4.456 20 10 EICDHN Cc1cc(Cl)cc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1[O-] ZINC000775679131 1053554320 /nfs/dbraw/zinc/55/43/20/1053554320.db2.gz NJUMCRNWHZLHEQ-GOSISDBHSA-N 0 3 331.843 4.318 20 10 EICDHN Cc1cc(Cl)cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1[O-] ZINC000775679131 1053554329 /nfs/dbraw/zinc/55/43/29/1053554329.db2.gz NJUMCRNWHZLHEQ-GOSISDBHSA-N 0 3 331.843 4.318 20 10 EICDHN CCOc1cccc(CNCc2ccsc2C(F)(F)F)c1O ZINC000865652925 1053567016 /nfs/dbraw/zinc/56/70/16/1053567016.db2.gz JDZRWUFISMAHKG-UHFFFAOYSA-N 0 3 331.359 4.161 20 10 EICDHN COc1cccc(O)c1CNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000865720608 1053577848 /nfs/dbraw/zinc/57/78/48/1053577848.db2.gz JFNUHYXBOOGPJG-UHFFFAOYSA-N 0 3 345.748 4.363 20 10 EICDHN CCn1nccc1CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000853239212 1053655138 /nfs/dbraw/zinc/65/51/38/1053655138.db2.gz CFFVHXMOCUQAAT-KRWDZBQOSA-N 0 3 326.488 4.134 20 10 EICDHN CC[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240302 1053655922 /nfs/dbraw/zinc/65/59/22/1053655922.db2.gz OSPZUWUCLMNJKX-CRAIPNDOSA-N 0 3 336.907 4.208 20 10 EICDHN CC(C)[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccccn1 ZINC000866238416 1053660952 /nfs/dbraw/zinc/66/09/52/1053660952.db2.gz NIZJNTJBGBKLCT-HXUWFJFHSA-N 0 3 341.524 4.122 20 10 EICDHN Cc1cc(C)c([C@@H](C)NCc2ccc(Br)cn2)c(O)c1 ZINC000866568989 1053790538 /nfs/dbraw/zinc/79/05/38/1053790538.db2.gz JDCGKTAGFJEQIH-GFCCVEGCSA-N 0 3 335.245 4.017 20 10 EICDHN C[C@H](N[C@H]1CCCn2nccc21)c1ccc(N2CCCCC2)c(F)c1 ZINC000866633366 1053813135 /nfs/dbraw/zinc/81/31/35/1053813135.db2.gz UFQUTADXFICDCB-YJBOKZPZSA-N 0 3 342.462 4.198 20 10 EICDHN CCn1nc(C)c(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)c1C ZINC000765659402 1053832421 /nfs/dbraw/zinc/83/24/21/1053832421.db2.gz LVVWGNZHZOYZLL-INIZCTEOSA-N 0 3 340.515 4.361 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1[O-] ZINC000765679902 1053835376 /nfs/dbraw/zinc/83/53/76/1053835376.db2.gz IEMOUKAQPQQCRC-QGZVFWFLSA-N 0 3 340.250 4.005 20 10 EICDHN C[C@@H](N[C@@H](C)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000112536832 1053837770 /nfs/dbraw/zinc/83/77/70/1053837770.db2.gz MWKYGIGVLJBVAG-CVEARBPZSA-N 0 3 328.431 4.074 20 10 EICDHN CC[C@H](NCc1ccc(N(C)C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000122764897 1054034805 /nfs/dbraw/zinc/03/48/05/1054034805.db2.gz XXKYUURTSPBTPG-IBGZPJMESA-N 0 3 327.428 4.210 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000012079553 1054374140 /nfs/dbraw/zinc/37/41/40/1054374140.db2.gz SLEPIFKMOWILAK-UHFFFAOYSA-N 0 3 333.387 4.078 20 10 EICDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC000776012354 1054444793 /nfs/dbraw/zinc/44/47/93/1054444793.db2.gz YSIGQOQAOMKUAE-ROUUACIJSA-N 0 3 325.452 4.382 20 10 EICDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC000776012354 1054444804 /nfs/dbraw/zinc/44/48/04/1054444804.db2.gz YSIGQOQAOMKUAE-ROUUACIJSA-N 0 3 325.452 4.382 20 10 EICDHN CCOc1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)c([O-])c1 ZINC000858304974 1054457852 /nfs/dbraw/zinc/45/78/52/1054457852.db2.gz LKTKMNZJJLGIMR-UHFFFAOYSA-N 0 3 331.359 4.161 20 10 EICDHN CCOc1ccc(CNCc2csc(C(F)(F)F)c2)c(O)c1 ZINC000858304974 1054457859 /nfs/dbraw/zinc/45/78/59/1054457859.db2.gz LKTKMNZJJLGIMR-UHFFFAOYSA-N 0 3 331.359 4.161 20 10 EICDHN CCCOc1ccc(CN[C@H](C)c2ccc(NC(N)=O)cc2)cc1C ZINC000873050173 1054481483 /nfs/dbraw/zinc/48/14/83/1054481483.db2.gz QSUWFPXWEKBUAO-OAHLLOKOSA-N 0 3 341.455 4.125 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@H]1CCCOC1 ZINC000858445538 1054490686 /nfs/dbraw/zinc/49/06/86/1054490686.db2.gz MQHDNBIDEHISNZ-CTNGQTDRSA-N 0 3 339.479 4.472 20 10 EICDHN Cc1cc(CN[C@@H]2CCCn3nccc32)c(C)n1-c1cccc(C)c1 ZINC000858541828 1054513169 /nfs/dbraw/zinc/51/31/69/1054513169.db2.gz DYSXQBHQNVOUPT-HXUWFJFHSA-N 0 3 334.467 4.224 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC001203550079 1054652163 /nfs/dbraw/zinc/65/21/63/1054652163.db2.gz GXJHOQRFTFGWEV-MRXNPFEDSA-N 0 3 332.241 4.492 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC001203550079 1054652177 /nfs/dbraw/zinc/65/21/77/1054652177.db2.gz GXJHOQRFTFGWEV-MRXNPFEDSA-N 0 3 332.241 4.492 20 10 EICDHN CC(C)N(Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(N(C)C)cc1 ZINC000876585022 1054931503 /nfs/dbraw/zinc/93/15/03/1054931503.db2.gz WIIUZMVGRUYDLY-UHFFFAOYSA-N 0 3 339.439 4.010 20 10 EICDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccc(C(F)F)nc1 ZINC000876584662 1054932217 /nfs/dbraw/zinc/93/22/17/1054932217.db2.gz LMKCFTLBGDDYPQ-UHFFFAOYSA-N 0 3 333.426 4.496 20 10 EICDHN CN(C)c1ccc(/C=C\CN[C@H]2CCOc3ccc(F)cc32)cc1 ZINC001202010797 1054977620 /nfs/dbraw/zinc/97/76/20/1054977620.db2.gz QKHGXTJZCHWZIV-LLHWWHOWSA-N 0 3 326.415 4.018 20 10 EICDHN COC[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001202193958 1055080659 /nfs/dbraw/zinc/08/06/59/1055080659.db2.gz LHZCYWSLPDHFIJ-FBQMEGEOSA-N 0 3 344.886 4.397 20 10 EICDHN CC[C@H](NCc1ccc(OC)cc1OC)c1ccc(N(C)C)cc1 ZINC000118960542 1055084713 /nfs/dbraw/zinc/08/47/13/1055084713.db2.gz HGOXFXZXARFYDC-IBGZPJMESA-N 0 3 328.456 4.011 20 10 EICDHN COc1ccc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000776263561 1055097049 /nfs/dbraw/zinc/09/70/49/1055097049.db2.gz FBGUHKSBFACVRR-HXUWFJFHSA-N 0 3 348.446 4.260 20 10 EICDHN Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000877757077 1055113819 /nfs/dbraw/zinc/11/38/19/1055113819.db2.gz FKJHXJWDQOQBMK-CVEARBPZSA-N 0 3 326.440 4.077 20 10 EICDHN COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])OC(C)C ZINC000186376203 1055415750 /nfs/dbraw/zinc/41/57/50/1055415750.db2.gz UQNMJCARMVHTTR-FOIQADDNSA-N 0 3 329.440 4.218 20 10 EICDHN CCN(C)c1ccc([C@@H](C)NCc2ccccc2N(C)CC)cc1 ZINC000765847384 1055866629 /nfs/dbraw/zinc/86/66/29/1055866629.db2.gz CATTWBMQRDAZTL-QGZVFWFLSA-N 0 3 325.500 4.450 20 10 EICDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001169753912 1060940248 /nfs/dbraw/zinc/94/02/48/1060940248.db2.gz DEEOVMGUYGZYSR-HOCLYGCPSA-N 0 3 331.378 4.104 20 10 EICDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001169753912 1060940269 /nfs/dbraw/zinc/94/02/69/1060940269.db2.gz DEEOVMGUYGZYSR-HOCLYGCPSA-N 0 3 331.378 4.104 20 10 EICDHN CCOc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000153837542 1018739580 /nfs/dbraw/zinc/73/95/80/1018739580.db2.gz QJQBEMYJPBKVLG-OAHLLOKOSA-N 0 3 328.456 4.011 20 10 EICDHN C[C@@H](NCc1cccc(O)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154400336 1019759247 /nfs/dbraw/zinc/75/92/47/1019759247.db2.gz LKINDUJTKFKRNT-OAHLLOKOSA-N 0 3 328.431 4.372 20 10 EICDHN CC[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccccc1[O-] ZINC000274898637 1019844564 /nfs/dbraw/zinc/84/45/64/1019844564.db2.gz KTNGXHCSVLPUAJ-INIZCTEOSA-N 0 3 339.464 4.194 20 10 EICDHN COc1ccc([C@H](NCc2ccccc2O)c2ccc(F)cc2)cc1 ZINC000237364131 1032858912 /nfs/dbraw/zinc/85/89/12/1032858912.db2.gz OOSXTEXAJKBERT-OAQYLSRUSA-N 0 3 337.394 4.419 20 10 EICDHN CC[C@H](c1ccccc1[O-])[N@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000377859625 1022055300 /nfs/dbraw/zinc/05/53/00/1022055300.db2.gz IGHCRPWOLCKGNF-LJQANCHMSA-N 0 3 328.456 4.033 20 10 EICDHN CC[C@H](c1ccccc1[O-])[N@@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000377859625 1022055312 /nfs/dbraw/zinc/05/53/12/1022055312.db2.gz IGHCRPWOLCKGNF-LJQANCHMSA-N 0 3 328.456 4.033 20 10 EICDHN C[C@@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000311222993 1023007728 /nfs/dbraw/zinc/00/77/28/1023007728.db2.gz VSSLZPKTRBHDSV-SJLPKXTDSA-N 0 3 342.458 4.094 20 10 EICDHN CC[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccccc1[O-] ZINC000156134768 1023010269 /nfs/dbraw/zinc/01/02/69/1023010269.db2.gz BEBRSCINOFLEGM-NSHDSACASA-N 0 3 330.375 4.151 20 10 EICDHN COc1ccc2c(c1)[C@H](NCc1ccc(N(C)C)c(F)c1)CCS2 ZINC000191505770 1023551419 /nfs/dbraw/zinc/55/14/19/1023551419.db2.gz LXSWXEPAGHPVDL-QGZVFWFLSA-N 0 3 346.471 4.227 20 10 EICDHN C[C@@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208057 1023643301 /nfs/dbraw/zinc/64/33/01/1023643301.db2.gz NSJWNWNQGQRNPL-SJLPKXTDSA-N 0 3 342.458 4.094 20 10 EICDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(Br)cc1 ZINC000313263183 1024100963 /nfs/dbraw/zinc/10/09/63/1024100963.db2.gz ZDYNYFBAPAAKGS-IAQYHMDHSA-N 0 3 332.241 4.493 20 10 EICDHN CC[C@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccc(C)cc1[O-] ZINC000375647079 1025172520 /nfs/dbraw/zinc/17/25/20/1025172520.db2.gz BKSSLHZRYFBSOH-DQPZFDDXSA-N 0 3 329.444 4.159 20 10 EICDHN CC[C@@H]([NH2+]Cc1cccc(OCCCOC)c1)c1ccccc1[O-] ZINC000156856800 1025681446 /nfs/dbraw/zinc/68/14/46/1025681446.db2.gz XNLBKLGMSLGIML-LJQANCHMSA-N 0 3 329.440 4.048 20 10 EICDHN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cncc(F)c1 ZINC000157515538 1025875014 /nfs/dbraw/zinc/87/50/14/1025875014.db2.gz IQHIVYVCWHVJPJ-MRXNPFEDSA-N 0 3 327.447 4.308 20 10 EICDHN CCOc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000168802396 1026212878 /nfs/dbraw/zinc/21/28/78/1026212878.db2.gz GZFVZTSAWUFDLI-OAHLLOKOSA-N 0 3 328.456 4.011 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccccc1[O-] ZINC000281207401 1028440945 /nfs/dbraw/zinc/44/09/45/1028440945.db2.gz SJTJQEFCMJGASB-BXUZGUMPSA-N 0 3 335.245 4.352 20 10 EICDHN Cc1n[nH]c(C)c1CNCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000281839516 1028886403 /nfs/dbraw/zinc/88/64/03/1028886403.db2.gz ANUWOJRSWLBCDI-CYBMUJFWSA-N 0 3 346.906 4.206 20 10 EICDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367317022 1029338161 /nfs/dbraw/zinc/33/81/61/1029338161.db2.gz GZEWFWDIUVFSHL-VQIMIIECSA-N 0 3 339.483 4.256 20 10 EICDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367317022 1029338176 /nfs/dbraw/zinc/33/81/76/1029338176.db2.gz GZEWFWDIUVFSHL-VQIMIIECSA-N 0 3 339.483 4.256 20 10 EICDHN CCN(CC)c1ncc(CNCc2c(C)c3ccccc3n2C)s1 ZINC000475193982 1029399705 /nfs/dbraw/zinc/39/97/05/1029399705.db2.gz DTRRTZBZDQANOI-UHFFFAOYSA-N 0 3 342.512 4.079 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000475200374 1029432956 /nfs/dbraw/zinc/43/29/56/1029432956.db2.gz ZICCHNNQABTPFL-UHFFFAOYSA-N 0 3 348.425 4.306 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1[O-] ZINC000527936712 1030978762 /nfs/dbraw/zinc/97/87/62/1030978762.db2.gz XNOBCLRVZHRLMT-ZWNOBZJWSA-N 0 3 347.768 4.005 20 10 EICDHN CC[C@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(C)cc1[O-] ZINC000528042778 1031057994 /nfs/dbraw/zinc/05/79/94/1031057994.db2.gz ISGQOMOWAKRSIO-FXAWDEMLSA-N 0 3 326.440 4.296 20 10 EICDHN COc1ccc([C@H]([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)C2CC2)cn1 ZINC000528043650 1031059921 /nfs/dbraw/zinc/05/99/21/1031059921.db2.gz OZTVDKODSXACIJ-UYHHGJEOSA-N 0 3 342.414 4.224 20 10 EICDHN COc1cc(C)cc(CNCc2oc3ccc(F)cc3c2C)c1O ZINC000894203028 1034675888 /nfs/dbraw/zinc/67/58/88/1034675888.db2.gz OSWZKCJQHCQLSC-UHFFFAOYSA-N 0 3 329.371 4.193 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccccc1[O-] ZINC000156342137 1035892281 /nfs/dbraw/zinc/89/22/81/1035892281.db2.gz OLEVVDHZMUEWQL-WBVHZDCISA-N 0 3 327.449 4.381 20 10 EICDHN COc1cc(Cl)cc(CN2CCCO[C@@H](c3ccccc3)C2)c1O ZINC000761193421 1036004808 /nfs/dbraw/zinc/00/48/08/1036004808.db2.gz BLDGATHFOQCRMZ-GOSISDBHSA-N 0 3 347.842 4.018 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1[O-] ZINC000761193421 1036004830 /nfs/dbraw/zinc/00/48/30/1036004830.db2.gz BLDGATHFOQCRMZ-GOSISDBHSA-N 0 3 347.842 4.018 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1[O-] ZINC000761193421 1036004854 /nfs/dbraw/zinc/00/48/54/1036004854.db2.gz BLDGATHFOQCRMZ-GOSISDBHSA-N 0 3 347.842 4.018 20 10 EICDHN CC[N@H+](CCc1cccs1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761192664 1036005524 /nfs/dbraw/zinc/00/55/24/1036005524.db2.gz XVDMBQAFURMAJK-UHFFFAOYSA-N 0 3 325.861 4.180 20 10 EICDHN CC[N@@H+](CCc1cccs1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761192664 1036005546 /nfs/dbraw/zinc/00/55/46/1036005546.db2.gz XVDMBQAFURMAJK-UHFFFAOYSA-N 0 3 325.861 4.180 20 10 EICDHN CCS[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761199765 1036014146 /nfs/dbraw/zinc/01/41/46/1036014146.db2.gz RRFSOIZLWKEZEM-CQSZACIVSA-N 0 3 329.893 4.162 20 10 EICDHN CCS[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761199765 1036014166 /nfs/dbraw/zinc/01/41/66/1036014166.db2.gz RRFSOIZLWKEZEM-CQSZACIVSA-N 0 3 329.893 4.162 20 10 EICDHN COc1cc(Cl)cc(CN2CCC[C@@H]2c2ccc(O)cc2)c1O ZINC000761195222 1036020853 /nfs/dbraw/zinc/02/08/53/1036020853.db2.gz JXQGXEAKYGRKBF-MRXNPFEDSA-N 0 3 333.815 4.097 20 10 EICDHN CCN(C)c1ccc([C@H](C)NCc2cnn(Cc3ccccc3)c2)cc1 ZINC000152594516 1042913438 /nfs/dbraw/zinc/91/34/38/1042913438.db2.gz VYQNPMLDMHCYTO-SFHVURJKSA-N 0 3 348.494 4.238 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000766030766 1043061244 /nfs/dbraw/zinc/06/12/44/1043061244.db2.gz XGTRLFYLRGJSRA-QGZVFWFLSA-N 0 3 334.467 4.098 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCOc3cc(OC)ccc32)cc1 ZINC000766188537 1043380898 /nfs/dbraw/zinc/38/08/98/1043380898.db2.gz RLNPTSPVNPSMFY-QRWLVFNGSA-N 0 3 340.467 4.326 20 10 EICDHN CCOc1ccc(CNCc2ccc(N(CC)CC)c(F)c2)cc1 ZINC000731360586 1043740630 /nfs/dbraw/zinc/74/06/30/1043740630.db2.gz JOCFKMBRUGGOCB-UHFFFAOYSA-N 0 3 330.447 4.360 20 10 EICDHN COC(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847368 1043834466 /nfs/dbraw/zinc/83/44/66/1043834466.db2.gz JNQOQRQCNNFMBK-UHFFFAOYSA-N 0 3 339.435 4.124 20 10 EICDHN COC(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000731847368 1043834470 /nfs/dbraw/zinc/83/44/70/1043834470.db2.gz JNQOQRQCNNFMBK-UHFFFAOYSA-N 0 3 339.435 4.124 20 10 EICDHN COc1ccc(OCC[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732205048 1043887150 /nfs/dbraw/zinc/88/71/50/1043887150.db2.gz YHDSMCMPRCOLSS-UHFFFAOYSA-N 0 3 341.451 4.224 20 10 EICDHN COc1ccc(OCC[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000732205048 1043887155 /nfs/dbraw/zinc/88/71/55/1043887155.db2.gz YHDSMCMPRCOLSS-UHFFFAOYSA-N 0 3 341.451 4.224 20 10 EICDHN COc1ccc(N2CCC(N[C@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000732919292 1044035751 /nfs/dbraw/zinc/03/57/51/1044035751.db2.gz AFXXWUKNJPWODK-CQSZACIVSA-N 0 3 346.421 4.293 20 10 EICDHN CC[C@@H](N[C@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766138498 1044329737 /nfs/dbraw/zinc/32/97/37/1044329737.db2.gz OLSXYZRBLHKFKX-FGZHOGPDSA-N 0 3 348.494 4.431 20 10 EICDHN COc1cc(C)cc(CNCc2csc(C(F)(F)F)c2)c1O ZINC000895410135 1044733338 /nfs/dbraw/zinc/73/33/38/1044733338.db2.gz DKXUPUAFVBFWKH-UHFFFAOYSA-N 0 3 331.359 4.079 20 10 EICDHN Cc1cc(CN[C@H]2CCCc3c2cnn3C)c(C)n1-c1cccc(C)c1 ZINC000915229763 1045202313 /nfs/dbraw/zinc/20/23/13/1045202313.db2.gz QIJXOCOEXRJQFO-NRFANRHFSA-N 0 3 348.494 4.303 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000740898987 1045241211 /nfs/dbraw/zinc/24/12/11/1045241211.db2.gz KFHSWWIVLGKDNQ-OAQYLSRUSA-N 0 3 347.458 4.315 20 10 EICDHN Cc1cccc([C@@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000767928874 1045684640 /nfs/dbraw/zinc/68/46/40/1045684640.db2.gz XYSPTZBSPVJRRE-QFIPXVFZSA-N 0 3 333.431 4.191 20 10 EICDHN Cc1cc(F)ccc1C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000768163466 1045730299 /nfs/dbraw/zinc/73/02/99/1045730299.db2.gz YZZNFZMWHHVZFI-LJQANCHMSA-N 0 3 329.415 4.021 20 10 EICDHN Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000768163466 1045730289 /nfs/dbraw/zinc/73/02/89/1045730289.db2.gz YZZNFZMWHHVZFI-LJQANCHMSA-N 0 3 329.415 4.021 20 10 EICDHN CCOc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c([O-])c1 ZINC000768202881 1045740468 /nfs/dbraw/zinc/74/04/68/1045740468.db2.gz CPEOFRQIMZQKAX-KRWDZBQOSA-N 0 3 347.480 4.034 20 10 EICDHN CCOc1ccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c([O-])c1 ZINC000768202881 1045740454 /nfs/dbraw/zinc/74/04/54/1045740454.db2.gz CPEOFRQIMZQKAX-KRWDZBQOSA-N 0 3 347.480 4.034 20 10 EICDHN CCOc1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)c(O)c1 ZINC000768202881 1045740480 /nfs/dbraw/zinc/74/04/80/1045740480.db2.gz CPEOFRQIMZQKAX-KRWDZBQOSA-N 0 3 347.480 4.034 20 10 EICDHN COc1cc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c(O)cc1C ZINC000768461809 1045810586 /nfs/dbraw/zinc/81/05/86/1045810586.db2.gz FGKSTNSRZLSFKQ-OAHLLOKOSA-N 0 3 347.842 4.016 20 10 EICDHN Cc1ccc(O)c(CN(C)Cc2cc(Br)cs2)c1 ZINC000768815936 1045845606 /nfs/dbraw/zinc/84/56/06/1045845606.db2.gz NFLORGLYBOAXNW-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN CC[C@H]1c2ccsc2CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000768824714 1045847187 /nfs/dbraw/zinc/84/71/87/1045847187.db2.gz GPRLLTMDATXYBP-IBGZPJMESA-N 0 3 342.508 4.094 20 10 EICDHN CCCOc1c(Cl)cc(CN(C)Cc2ccccc2O)cc1OC ZINC000768872085 1045849406 /nfs/dbraw/zinc/84/94/06/1045849406.db2.gz BWKZBKVFCUITIE-UHFFFAOYSA-N 0 3 349.858 4.475 20 10 EICDHN CCCOc1c(Cl)cc(C[N@H+](C)Cc2ccccc2[O-])cc1OC ZINC000768872085 1045849414 /nfs/dbraw/zinc/84/94/14/1045849414.db2.gz BWKZBKVFCUITIE-UHFFFAOYSA-N 0 3 349.858 4.475 20 10 EICDHN CCCOc1c(Cl)cc(C[N@@H+](C)Cc2ccccc2[O-])cc1OC ZINC000768872085 1045849420 /nfs/dbraw/zinc/84/94/20/1045849420.db2.gz BWKZBKVFCUITIE-UHFFFAOYSA-N 0 3 349.858 4.475 20 10 EICDHN Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768939903 1045862718 /nfs/dbraw/zinc/86/27/18/1045862718.db2.gz FKVJYSXZTYSHBU-IBGZPJMESA-N 0 3 347.462 4.172 20 10 EICDHN Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768939903 1045862714 /nfs/dbraw/zinc/86/27/14/1045862714.db2.gz FKVJYSXZTYSHBU-IBGZPJMESA-N 0 3 347.462 4.172 20 10 EICDHN CCC[N@H+](Cc1cn(-c2ccccc2)nc1C)Cc1ccccc1[O-] ZINC000769200619 1045892829 /nfs/dbraw/zinc/89/28/29/1045892829.db2.gz DAKINZBBSHZQNH-UHFFFAOYSA-N 0 3 335.451 4.299 20 10 EICDHN CCC[N@@H+](Cc1cn(-c2ccccc2)nc1C)Cc1ccccc1[O-] ZINC000769200619 1045892835 /nfs/dbraw/zinc/89/28/35/1045892835.db2.gz DAKINZBBSHZQNH-UHFFFAOYSA-N 0 3 335.451 4.299 20 10 EICDHN COCc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000769384838 1045944615 /nfs/dbraw/zinc/94/46/15/1045944615.db2.gz PTABCTPCXJPQMK-UHFFFAOYSA-N 0 3 325.452 4.483 20 10 EICDHN COCc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000769384838 1045944627 /nfs/dbraw/zinc/94/46/27/1045944627.db2.gz PTABCTPCXJPQMK-UHFFFAOYSA-N 0 3 325.452 4.483 20 10 EICDHN C[NH+](C)CCCC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000769498063 1045993811 /nfs/dbraw/zinc/99/38/11/1045993811.db2.gz KZCPIIRFZVEXRH-UHFFFAOYSA-N 0 3 345.314 4.253 20 10 EICDHN c1cc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc2c1OCC2 ZINC000769869016 1046082127 /nfs/dbraw/zinc/08/21/27/1046082127.db2.gz BRLOZHCOYNRSCI-HXUWFJFHSA-N 0 3 335.447 4.114 20 10 EICDHN CN(C)c1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000769867634 1046085889 /nfs/dbraw/zinc/08/58/89/1046085889.db2.gz MCFVJKGVCHGLES-OAQYLSRUSA-N 0 3 336.479 4.245 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000769929123 1046113834 /nfs/dbraw/zinc/11/38/34/1046113834.db2.gz VOXXPSCQRXHUKW-UHFFFAOYSA-N 0 3 331.415 4.379 20 10 EICDHN CCC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H](O)c1ccccc1 ZINC000793236104 1046181769 /nfs/dbraw/zinc/18/17/69/1046181769.db2.gz BPYZYLALKKCMNI-AEFFLSMTSA-N 0 3 349.858 4.046 20 10 EICDHN Oc1cc(OCc2ccccc2)ccc1CN1CCC(F)(F)CC1 ZINC000793361030 1046215679 /nfs/dbraw/zinc/21/56/79/1046215679.db2.gz ALCQBMACDHHPQQ-UHFFFAOYSA-N 0 3 333.378 4.202 20 10 EICDHN COc1ccc(C[N@H+](CCc2ccccn2)Cc2ccccc2[O-])cc1 ZINC000793348281 1046224054 /nfs/dbraw/zinc/22/40/54/1046224054.db2.gz HZLBXBSKCYYHEK-UHFFFAOYSA-N 0 3 348.446 4.041 20 10 EICDHN COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccccc2[O-])cc1 ZINC000793348281 1046224067 /nfs/dbraw/zinc/22/40/67/1046224067.db2.gz HZLBXBSKCYYHEK-UHFFFAOYSA-N 0 3 348.446 4.041 20 10 EICDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000793583152 1046297961 /nfs/dbraw/zinc/29/79/61/1046297961.db2.gz AJHXZNFGVVXTST-UHFFFAOYSA-N 0 3 340.515 4.251 20 10 EICDHN Clc1cccc2c1OCCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000154194566 1046371216 /nfs/dbraw/zinc/37/12/16/1046371216.db2.gz JVRIBUKIBFAVMT-KRWDZBQOSA-N 0 3 329.827 4.278 20 10 EICDHN C[C@H]([NH3+])c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001168522198 1046424061 /nfs/dbraw/zinc/42/40/61/1046424061.db2.gz BAOBYKBPKNBGNM-NSHDSACASA-N 0 3 327.815 4.226 20 10 EICDHN COc1ccc(C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000785558286 1046713148 /nfs/dbraw/zinc/71/31/48/1046713148.db2.gz DTYZUZWGHLICEP-GFCCVEGCSA-N 0 3 339.357 4.313 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1C)N(C)C)c1ccccc1[O-] ZINC000785571937 1046724218 /nfs/dbraw/zinc/72/42/18/1046724218.db2.gz CSXCOYISSYOBLK-NBHGPNQESA-N 0 3 326.484 4.433 20 10 EICDHN COC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccc(Cl)cc1 ZINC000786829134 1046871899 /nfs/dbraw/zinc/87/18/99/1046871899.db2.gz JJDHHTNYUVMWIV-LJQANCHMSA-N 0 3 332.875 4.192 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1cc(Br)cs1 ZINC000786822471 1046875924 /nfs/dbraw/zinc/87/59/24/1046875924.db2.gz ZAPFYTUKHQKGNJ-SNVBAGLBSA-N 0 3 338.270 4.296 20 10 EICDHN CCCN(Cc1cc(C)ccc1O)[C@@H](C)C(=O)Nc1ccccc1C ZINC000787331802 1046981211 /nfs/dbraw/zinc/98/12/11/1046981211.db2.gz GTHIJRZEWUENRP-KRWDZBQOSA-N 0 3 340.467 4.248 20 10 EICDHN Oc1ccccc1CN(Cc1cc2ccccc2[nH]1)C[C@H]1CCCO1 ZINC000789722572 1047468696 /nfs/dbraw/zinc/46/86/96/1047468696.db2.gz MLXUKJZPQZXXEE-LJQANCHMSA-N 0 3 336.435 4.055 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccccc1[O-] ZINC000154871507 1047724842 /nfs/dbraw/zinc/72/48/42/1047724842.db2.gz IWMVRKYCFWEKNB-QZTJIDSGSA-N 0 3 328.456 4.253 20 10 EICDHN Cc1ccncc1CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000824909885 1047982776 /nfs/dbraw/zinc/98/27/76/1047982776.db2.gz QONOXGCCKIJDGD-UHFFFAOYSA-N 0 3 337.492 4.378 20 10 EICDHN CCOc1ccc(N2CCN(Cc3c[nH]c4cc(C)ccc34)CC2)cc1 ZINC001136975765 1048010096 /nfs/dbraw/zinc/01/00/96/1048010096.db2.gz QMWAMEQHARYMEF-UHFFFAOYSA-N 0 3 349.478 4.197 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c1[O-] ZINC000808680127 1048034822 /nfs/dbraw/zinc/03/48/22/1048034822.db2.gz CQRYAAYWZZHBAN-KBPBESRZSA-N 0 3 331.843 4.256 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1[O-] ZINC000808681407 1048035093 /nfs/dbraw/zinc/03/50/93/1048035093.db2.gz ALGBJAWKNJUVEI-CQSZACIVSA-N 0 3 341.842 4.391 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c1[O-] ZINC000808705511 1048050730 /nfs/dbraw/zinc/05/07/30/1048050730.db2.gz JBIOUODTZDVJOO-FZKQIMNGSA-N 0 3 331.843 4.319 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@H]2CCCC[C@H]2O)c1[O-] ZINC000808706274 1048053679 /nfs/dbraw/zinc/05/36/79/1048053679.db2.gz GKLPHZBMRYCJJM-JJRVBVJISA-N 0 3 325.880 4.336 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1[O-] ZINC000808710691 1048057294 /nfs/dbraw/zinc/05/72/94/1048057294.db2.gz VKFMCLXBAIKKGE-YDEYXMKJSA-N 0 3 343.945 4.384 20 10 EICDHN CC[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccccc1[O-] ZINC000155112657 1048174115 /nfs/dbraw/zinc/17/41/15/1048174115.db2.gz SMTVJMIYBOLVTN-LJQANCHMSA-N 0 3 325.452 4.181 20 10 EICDHN [O-]c1ccccc1C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000815158871 1048355390 /nfs/dbraw/zinc/35/53/90/1048355390.db2.gz CTFIEKJITPOCDY-UHFFFAOYSA-N 0 3 349.833 4.066 20 10 EICDHN Cc1cccc(CNCc2cc(F)c(C(F)(F)F)cc2F)c1O ZINC000809769392 1048501698 /nfs/dbraw/zinc/50/16/98/1048501698.db2.gz FXHWTAFNWDSMGX-UHFFFAOYSA-N 0 3 331.284 4.287 20 10 EICDHN C[C@@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCOC1 ZINC000815578987 1048518168 /nfs/dbraw/zinc/51/81/68/1048518168.db2.gz BZHZARVAUQJGCZ-CTNGQTDRSA-N 0 3 325.452 4.082 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000815582716 1048522167 /nfs/dbraw/zinc/52/21/67/1048522167.db2.gz NRLUDYLVEXMMKF-SBHAEUEKSA-N 0 3 339.479 4.207 20 10 EICDHN CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCOCC1 ZINC000815596429 1048530038 /nfs/dbraw/zinc/53/00/38/1048530038.db2.gz TYGFOTIXVDMKBY-FQEVSTJZSA-N 0 3 339.479 4.472 20 10 EICDHN Cc1cc(Br)cc(CN[C@@H]2c3ccccc3O[C@H]2C)c1O ZINC000809788516 1048534535 /nfs/dbraw/zinc/53/45/35/1048534535.db2.gz SLMDEUYEMYZRIU-ZBEGNZNMSA-N 0 3 348.240 4.075 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)c1[O-] ZINC000809788516 1048534548 /nfs/dbraw/zinc/53/45/48/1048534548.db2.gz SLMDEUYEMYZRIU-ZBEGNZNMSA-N 0 3 348.240 4.075 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCOC(F)F ZINC000815623714 1048549637 /nfs/dbraw/zinc/54/96/37/1048549637.db2.gz FMWLIHUIWFEXHA-KRWDZBQOSA-N 0 3 335.394 4.285 20 10 EICDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815643859 1048570342 /nfs/dbraw/zinc/57/03/42/1048570342.db2.gz MZHMHZMYSHMBAB-ZIAGYGMSSA-N 0 3 325.387 4.129 20 10 EICDHN CCCN1CCC([NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000810208243 1048707195 /nfs/dbraw/zinc/70/71/95/1048707195.db2.gz VIOXQDVXIDFCPS-INIZCTEOSA-N 0 3 344.421 4.326 20 10 EICDHN CCOc1ccc(O)c(CN[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846052167 1048806728 /nfs/dbraw/zinc/80/67/28/1048806728.db2.gz LVLXRIDWWZSIKM-QGZVFWFLSA-N 0 3 345.414 4.322 20 10 EICDHN COC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000846170249 1048828224 /nfs/dbraw/zinc/82/82/24/1048828224.db2.gz KDHLJHZARYQKBM-BLLLJJGKSA-N 0 3 335.831 4.093 20 10 EICDHN COc1cccc([C@H](C)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1O ZINC000846142520 1048831880 /nfs/dbraw/zinc/83/18/80/1048831880.db2.gz VBSIUHDAQCWNBE-BOFPYLFWSA-N 0 3 345.414 4.111 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000846203998 1048840990 /nfs/dbraw/zinc/84/09/90/1048840990.db2.gz PPNAAHKEOGZWTF-QBIMZIAESA-N 0 3 346.858 4.320 20 10 EICDHN COC1(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCC1 ZINC000816638475 1048846686 /nfs/dbraw/zinc/84/66/86/1048846686.db2.gz NMUPAULRYYQBAS-UHFFFAOYSA-N 0 3 341.451 4.020 20 10 EICDHN CC[C@@H]([NH2+]C[C@]1(C)CCCNC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817966446 1049071990 /nfs/dbraw/zinc/07/19/90/1049071990.db2.gz OBQAIPLVTCPUCN-GDBMZVCRSA-N 0 3 331.287 4.129 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817985409 1049079183 /nfs/dbraw/zinc/07/91/83/1049079183.db2.gz JUQDYWVUTCYLPZ-SWLSCSKDSA-N 0 3 343.298 4.414 20 10 EICDHN COc1ccc(N2CCC(NCc3c(F)cc(C)cc3F)CC2)cc1 ZINC000818191360 1049103335 /nfs/dbraw/zinc/10/33/35/1049103335.db2.gz YWBZSEBETIEVHB-UHFFFAOYSA-N 0 3 346.421 4.040 20 10 EICDHN c1cc(N2CCCCC2)ccc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518412 1049103597 /nfs/dbraw/zinc/10/35/97/1049103597.db2.gz JPAHZSBVCAAWGC-RTWAWAEBSA-N 0 3 340.511 4.210 20 10 EICDHN CC[C@H](N[C@@H]1CCOc2c(OC)cccc21)c1ccc(N(C)C)cc1 ZINC000772984353 1049212300 /nfs/dbraw/zinc/21/23/00/1049212300.db2.gz DXRWSSSVFMYHHZ-RBUKOAKNSA-N 0 3 340.467 4.326 20 10 EICDHN Cc1nc2ccccc2n1CCCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000812829634 1049600020 /nfs/dbraw/zinc/60/00/20/1049600020.db2.gz IWQOKNISMYDIAB-UHFFFAOYSA-N 0 3 337.467 4.353 20 10 EICDHN Cc1nc2ccccc2n1CCCCC[N@H+](C)Cc1ccccc1[O-] ZINC000812829634 1049600024 /nfs/dbraw/zinc/60/00/24/1049600024.db2.gz IWQOKNISMYDIAB-UHFFFAOYSA-N 0 3 337.467 4.353 20 10 EICDHN Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1[O-] ZINC000822530342 1049768226 /nfs/dbraw/zinc/76/82/26/1049768226.db2.gz YDKFKAKVHXBDPP-SFHVURJKSA-N 0 3 335.875 4.135 20 10 EICDHN Cc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1[O-] ZINC000822530342 1049768237 /nfs/dbraw/zinc/76/82/37/1049768237.db2.gz YDKFKAKVHXBDPP-SFHVURJKSA-N 0 3 335.875 4.135 20 10 EICDHN [O-]c1ccccc1C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000822498317 1049768491 /nfs/dbraw/zinc/76/84/91/1049768491.db2.gz YDHYYVSMMMXRIA-UHFFFAOYSA-N 0 3 328.481 4.107 20 10 EICDHN COc1cc(CN(C)Cc2cccc(C)c2O)c(SC)cc1OC ZINC000180404149 1049890014 /nfs/dbraw/zinc/89/00/14/1049890014.db2.gz FERNQBGMBMVSPG-UHFFFAOYSA-N 0 3 347.480 4.072 20 10 EICDHN c1csc(SCCCN[C@H](c2ccccc2)c2ccccn2)n1 ZINC000180574885 1049919175 /nfs/dbraw/zinc/91/91/75/1049919175.db2.gz ZSBTXMXKHMSXMA-QGZVFWFLSA-N 0 3 341.505 4.400 20 10 EICDHN COc1ccc(O)c(CN(C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000180617767 1049920657 /nfs/dbraw/zinc/92/06/57/1049920657.db2.gz PXORQHGAPIDWID-CYBMUJFWSA-N 0 3 334.485 4.482 20 10 EICDHN CCN(C)c1ccc(CN(C)[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000773770904 1050555113 /nfs/dbraw/zinc/55/51/13/1050555113.db2.gz FLVBKXGEEJNRFQ-GOSISDBHSA-N 0 3 329.513 4.417 20 10 EICDHN C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775128462 1050563860 /nfs/dbraw/zinc/56/38/60/1050563860.db2.gz DACIZNSVYITDTP-LBPRGKRZSA-N 0 3 325.330 4.141 20 10 EICDHN CN(C)Cc1ccccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001173931189 1050652187 /nfs/dbraw/zinc/65/21/87/1050652187.db2.gz AXGNTUWMJNTGFV-UHFFFAOYSA-N 0 3 332.451 4.382 20 10 EICDHN Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC001179937841 1050824593 /nfs/dbraw/zinc/82/45/93/1050824593.db2.gz PNRDHGDWWVXOFK-MRXNPFEDSA-N 0 3 345.874 4.134 20 10 EICDHN Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC001179937841 1050824597 /nfs/dbraw/zinc/82/45/97/1050824597.db2.gz PNRDHGDWWVXOFK-MRXNPFEDSA-N 0 3 345.874 4.134 20 10 EICDHN COc1ccc(C[C@H]2CCN2C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC001180115668 1050890367 /nfs/dbraw/zinc/89/03/67/1050890367.db2.gz BMQLVOIZPJCJBF-OLEQZPESSA-N 0 3 336.479 4.091 20 10 EICDHN CC[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000183326622 1051090956 /nfs/dbraw/zinc/09/09/56/1051090956.db2.gz OBOGRVLNSBHDIG-QGZVFWFLSA-N 0 3 348.487 4.080 20 10 EICDHN COc1cc(CN(C)Cc2ccc(N(C)C)c(C)c2)ccc1SC ZINC001190571285 1051218125 /nfs/dbraw/zinc/21/81/25/1051218125.db2.gz NIVSTYYSTXZZSX-UHFFFAOYSA-N 0 3 344.524 4.424 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC000775416799 1051292979 /nfs/dbraw/zinc/29/29/79/1051292979.db2.gz XWZXJECCZYKMIC-WBVHZDCISA-N 0 3 340.250 4.473 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2c1c(F)ccc2[O-] ZINC000774430557 1051589874 /nfs/dbraw/zinc/58/98/74/1051589874.db2.gz CKNCRDLMSCYHTG-SJKOYZFVSA-N 0 3 326.415 4.143 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000775508388 1051641732 /nfs/dbraw/zinc/64/17/32/1051641732.db2.gz UJMVRRIDXBCFEJ-UZLBHIALSA-N 0 3 340.467 4.111 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000775508384 1051642249 /nfs/dbraw/zinc/64/22/49/1051642249.db2.gz UJMVRRIDXBCFEJ-OXJNMPFZSA-N 0 3 340.467 4.111 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccccc1[O-] ZINC000775513470 1051650605 /nfs/dbraw/zinc/65/06/05/1051650605.db2.gz ZNCGBWUCOMVRAC-CRAIPNDOSA-N 0 3 330.859 4.365 20 10 EICDHN C[C@@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccns1 ZINC001183189205 1051804427 /nfs/dbraw/zinc/80/44/27/1051804427.db2.gz RJLHRFNKXYLWJW-CQSZACIVSA-N 0 3 340.448 4.279 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1ccns1 ZINC001183189205 1051804430 /nfs/dbraw/zinc/80/44/30/1051804430.db2.gz RJLHRFNKXYLWJW-CQSZACIVSA-N 0 3 340.448 4.279 20 10 EICDHN O=C(c1cc(Cl)ccc1Nc1ncc[nH]1)c1c(F)cccc1F ZINC001176084353 1051889967 /nfs/dbraw/zinc/88/99/67/1051889967.db2.gz LTQZURNNJMDFBV-UHFFFAOYSA-N 0 3 333.725 4.316 20 10 EICDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183822754 1051908631 /nfs/dbraw/zinc/90/86/31/1051908631.db2.gz LVWJXSDCGWVJSC-WUHBCXKYSA-N 0 3 337.463 4.353 20 10 EICDHN CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-])O[C@@H](C)C2 ZINC000184898129 1052297986 /nfs/dbraw/zinc/29/79/86/1052297986.db2.gz MDRKAJRIQNRVNN-STQMWFEESA-N 0 3 345.414 4.104 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000185128900 1052449086 /nfs/dbraw/zinc/44/90/86/1052449086.db2.gz RCRLSYUOCSHIIH-HOTGVXAUSA-N 0 3 328.431 4.017 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000185160638 1052495271 /nfs/dbraw/zinc/49/52/71/1052495271.db2.gz GPLDDEVQKGTXAB-LSDHHAIUSA-N 0 3 340.423 4.069 20 10 EICDHN CCOc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1OCC ZINC000072670537 1052552076 /nfs/dbraw/zinc/55/20/76/1052552076.db2.gz VFIYUEOQNCCJJJ-MRXNPFEDSA-N 0 3 342.483 4.401 20 10 EICDHN COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c(C(F)(F)F)c1 ZINC000185309919 1052575800 /nfs/dbraw/zinc/57/58/00/1052575800.db2.gz UZBGZLCXUBVQBT-SNVBAGLBSA-N 0 3 343.320 4.410 20 10 EICDHN C[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185469818 1052610766 /nfs/dbraw/zinc/61/07/66/1052610766.db2.gz LWFQRFOSBXSWAG-HOTGVXAUSA-N 0 3 342.458 4.408 20 10 EICDHN C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cc(F)ccc1[O-] ZINC000185546882 1052636308 /nfs/dbraw/zinc/63/63/08/1052636308.db2.gz ZGCHANKRUBEJDZ-KSMMKXTCSA-N 0 3 348.487 4.327 20 10 EICDHN C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185597479 1052654973 /nfs/dbraw/zinc/65/49/73/1052654973.db2.gz COZDJNRGNFLNIG-CYBMUJFWSA-N 0 3 325.424 4.084 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1cc(F)ccc1[O-] ZINC000185617212 1052662146 /nfs/dbraw/zinc/66/21/46/1052662146.db2.gz MYYYZXWOKOPIMI-UONOGXRCSA-N 0 3 325.387 4.129 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2ccc(C)cc2OCC2CC2)c1 ZINC000185678175 1052676848 /nfs/dbraw/zinc/67/68/48/1052676848.db2.gz RMHCIZOUVLQJTJ-HNNXBMFYSA-N 0 3 341.451 4.349 20 10 EICDHN C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1cc(F)ccc1[O-] ZINC000185721711 1052685950 /nfs/dbraw/zinc/68/59/50/1052685950.db2.gz VMPZDBZBJWEGEC-MEDUHNTESA-N 0 3 331.412 4.130 20 10 EICDHN CC[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1[O-] ZINC000186136251 1052937664 /nfs/dbraw/zinc/93/76/64/1052937664.db2.gz GMHYOMPADVIOOM-SFHVURJKSA-N 0 3 326.465 4.238 20 10 EICDHN COc1cccc(OC)c1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000850505416 1053263648 /nfs/dbraw/zinc/26/36/48/1053263648.db2.gz RKMVFDBFMQCBHP-AWEZNQCLSA-N 0 3 341.451 4.139 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000850539225 1053301426 /nfs/dbraw/zinc/30/14/26/1053301426.db2.gz CCABCQWYWIREQR-ZANVPECISA-N 0 3 328.250 4.003 20 10 EICDHN COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2[O-])cc1OC ZINC000775642802 1053305380 /nfs/dbraw/zinc/30/53/80/1053305380.db2.gz ODOOEXYECBQBRZ-UHFFFAOYSA-N 0 3 335.831 4.003 20 10 EICDHN COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2[O-])cc1OC ZINC000775642802 1053305393 /nfs/dbraw/zinc/30/53/93/1053305393.db2.gz ODOOEXYECBQBRZ-UHFFFAOYSA-N 0 3 335.831 4.003 20 10 EICDHN COc1ccccc1-c1cc(CN[C@H](C)c2ccc(C)cc2O)on1 ZINC000850585144 1053335966 /nfs/dbraw/zinc/33/59/66/1053335966.db2.gz VWKCOPXOGCAZMU-CQSZACIVSA-N 0 3 338.407 4.215 20 10 EICDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cnn(-c2ccccc2)c1 ZINC000764900436 1053364419 /nfs/dbraw/zinc/36/44/19/1053364419.db2.gz AXABDUFXRSSUDE-GOSISDBHSA-N 0 3 346.478 4.323 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794794791 1053379817 /nfs/dbraw/zinc/37/98/17/1053379817.db2.gz GFPGWZGWBRPVTB-OALUTQOASA-N 0 3 330.447 4.183 20 10 EICDHN CC[C@H]([NH2+]CCCc1ccc(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000794801873 1053385263 /nfs/dbraw/zinc/38/52/63/1053385263.db2.gz LFDVYSNLUXFWCP-SFHVURJKSA-N 0 3 343.467 4.391 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1cccc(OC)c1)N(C)C)c1ccc(C)cc1[O-] ZINC000794792888 1053386466 /nfs/dbraw/zinc/38/64/66/1053386466.db2.gz GZVPTXIQYUBHPL-UXHICEINSA-N 0 3 342.483 4.053 20 10 EICDHN CC[C@H](NCc1cn2cc(Cl)ccc2n1)c1ccc(C)cc1O ZINC000794793679 1053389909 /nfs/dbraw/zinc/38/99/09/1053389909.db2.gz AIOWSHGABBABCJ-INIZCTEOSA-N 0 3 329.831 4.243 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000794803702 1053396143 /nfs/dbraw/zinc/39/61/43/1053396143.db2.gz SAFKBADXSBPQBQ-BEFAXECRSA-N 0 3 329.440 4.217 20 10 EICDHN CC[C@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000794803705 1053396465 /nfs/dbraw/zinc/39/64/65/1053396465.db2.gz SAFKBADXSBPQBQ-KXBFYZLASA-N 0 3 329.440 4.217 20 10 EICDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c1[O-] ZINC000775662132 1053429208 /nfs/dbraw/zinc/42/92/08/1053429208.db2.gz UUCPUUVMUMLRQG-GOSISDBHSA-N 0 3 331.843 4.100 20 10 EICDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1[O-] ZINC000775662132 1053429219 /nfs/dbraw/zinc/42/92/19/1053429219.db2.gz UUCPUUVMUMLRQG-GOSISDBHSA-N 0 3 331.843 4.100 20 10 EICDHN CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794817653 1053431648 /nfs/dbraw/zinc/43/16/48/1053431648.db2.gz UNVMKLBZSKFTIT-ZJOUEHCJSA-N 0 3 343.442 4.047 20 10 EICDHN CC[C@H]([NH2+]C[C@@](C)(Cc1ccccc1)[C@H](C)O)c1ccc(C)cc1[O-] ZINC000794818684 1053436510 /nfs/dbraw/zinc/43/65/10/1053436510.db2.gz XYENWXGSYNFEAG-RBDMOPTHSA-N 0 3 341.495 4.371 20 10 EICDHN CC[C@H]([NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794829739 1053441921 /nfs/dbraw/zinc/44/19/21/1053441921.db2.gz WOLPSNATBWOYTN-TYPHKJRUSA-N 0 3 327.468 4.500 20 10 EICDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cnc2ccccc2n1 ZINC000851732770 1053509288 /nfs/dbraw/zinc/50/92/88/1053509288.db2.gz XUNXTQRDMZDHOE-UHFFFAOYSA-N 0 3 334.467 4.106 20 10 EICDHN C[C@H](N[C@H]1CCCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000765391433 1053528180 /nfs/dbraw/zinc/52/81/80/1053528180.db2.gz FLVCXQUXGPBNDM-LIRRHRJNSA-N 0 3 328.431 4.456 20 10 EICDHN C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1ccccc1[O-] ZINC000794842671 1053542440 /nfs/dbraw/zinc/54/24/40/1053542440.db2.gz SCZKJUVFFQCXSV-ZDUSSCGKSA-N 0 3 339.357 4.227 20 10 EICDHN CCOc1cccc(CN[C@@H](CC)c2cccc(OC)c2OC)c1O ZINC000865758474 1053585714 /nfs/dbraw/zinc/58/57/14/1053585714.db2.gz IGDGDLHHPNGBQB-INIZCTEOSA-N 0 3 345.439 4.049 20 10 EICDHN COc1ccc(O)c(CN2CCC(=Cc3ccccc3F)CC2)c1 ZINC000775737509 1053721440 /nfs/dbraw/zinc/72/14/40/1053721440.db2.gz NYGFWKZNAWCEFG-UHFFFAOYSA-N 0 3 327.399 4.219 20 10 EICDHN Cc1ccc([C@@H](C)NCc2ccc(OC(F)F)cc2F)c(O)c1 ZINC000866541445 1053775462 /nfs/dbraw/zinc/77/54/62/1053775462.db2.gz MAODXFIRPGVVSM-LLVKDONJSA-N 0 3 325.330 4.292 20 10 EICDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)c1ccnn1C ZINC000866612315 1053804312 /nfs/dbraw/zinc/80/43/12/1053804312.db2.gz GSCHFNFQVMYGHQ-IRXDYDNUSA-N 0 3 326.488 4.212 20 10 EICDHN C[C@H](N[C@@H]1CCCn2nccc21)c1ccc(N2CCCCCC2)cc1 ZINC000866632079 1053811272 /nfs/dbraw/zinc/81/12/72/1053811272.db2.gz HUKDEFSPWJIZIK-FXAWDEMLSA-N 0 3 338.499 4.449 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CCc2ccco2)c1[O-] ZINC000775775398 1053920831 /nfs/dbraw/zinc/92/08/31/1053920831.db2.gz YRMWAMUWWZBYJX-LBPRGKRZSA-N 0 3 338.245 4.167 20 10 EICDHN CCc1nc2c(s1)[C@H](NCc1ccc3c(c1)CCCN3C)CCC2 ZINC000122935544 1054060098 /nfs/dbraw/zinc/06/00/98/1054060098.db2.gz LFFBKGXLPCQJBB-MRXNPFEDSA-N 0 3 341.524 4.255 20 10 EICDHN Cc1cc(Cl)ccc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775829556 1054099217 /nfs/dbraw/zinc/09/92/17/1054099217.db2.gz ZQXLTKOLIDPOAR-CQSZACIVSA-N 0 3 345.874 4.004 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)c1[O-] ZINC000857082451 1054175216 /nfs/dbraw/zinc/17/52/16/1054175216.db2.gz VOGSFTVMRKALOM-ZJUUUORDSA-N 0 3 334.204 4.159 20 10 EICDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC000776012355 1054445929 /nfs/dbraw/zinc/44/59/29/1054445929.db2.gz YSIGQOQAOMKUAE-ZWKOTPCHSA-N 0 3 325.452 4.382 20 10 EICDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC000776012355 1054445932 /nfs/dbraw/zinc/44/59/32/1054445932.db2.gz YSIGQOQAOMKUAE-ZWKOTPCHSA-N 0 3 325.452 4.382 20 10 EICDHN C[C@H]([NH2+]Cc1ccccc1CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000858591666 1054528796 /nfs/dbraw/zinc/52/87/96/1054528796.db2.gz XQRQFXKUGRQTFK-NSHDSACASA-N 0 3 327.321 4.487 20 10 EICDHN COc1ccc(O)c(CNC2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000776154049 1054756079 /nfs/dbraw/zinc/75/60/79/1054756079.db2.gz MLWYQESJKCUXIJ-UHFFFAOYSA-N 0 3 338.234 4.487 20 10 EICDHN CCOC(C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)OCC ZINC000125278976 1054757376 /nfs/dbraw/zinc/75/73/76/1054757376.db2.gz XGMRXSSJQICKSD-KRWDZBQOSA-N 0 3 343.467 4.355 20 10 EICDHN CCOC(C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)OCC ZINC000125278976 1054757394 /nfs/dbraw/zinc/75/73/94/1054757394.db2.gz XGMRXSSJQICKSD-KRWDZBQOSA-N 0 3 343.467 4.355 20 10 EICDHN COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877013855 1055000210 /nfs/dbraw/zinc/00/02/10/1055000210.db2.gz HWRXLBYUXLFBLI-OAHLLOKOSA-N 0 3 331.481 4.290 20 10 EICDHN Cc1ccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877336581 1055045044 /nfs/dbraw/zinc/04/50/44/1055045044.db2.gz KNAGVWVSEADRNA-UYAOXDASSA-N 0 3 329.415 4.192 20 10 EICDHN Cc1ccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877336581 1055045060 /nfs/dbraw/zinc/04/50/60/1055045060.db2.gz KNAGVWVSEADRNA-UYAOXDASSA-N 0 3 329.415 4.192 20 10 EICDHN Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776254973 1055059748 /nfs/dbraw/zinc/05/97/48/1055059748.db2.gz RKZJOUFDSUEZDP-GFCCVEGCSA-N 0 3 335.245 4.017 20 10 EICDHN Cc1ccncc1[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776254980 1055060307 /nfs/dbraw/zinc/06/03/07/1055060307.db2.gz RKZJOUFDSUEZDP-LBPRGKRZSA-N 0 3 335.245 4.017 20 10 EICDHN COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000776255728 1055087138 /nfs/dbraw/zinc/08/71/38/1055087138.db2.gz HKQPFCVYJWIGSK-YJYMSZOUSA-N 0 3 349.858 4.228 20 10 EICDHN CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757080 1055113566 /nfs/dbraw/zinc/11/35/66/1055113566.db2.gz FKLMHGCDHVXTQY-GJZGRUSLSA-N 0 3 326.440 4.023 20 10 EICDHN Cc1c(C[NH2+][C@H](C)c2ccccc2[O-])sc2nc(C)nc(C)c12 ZINC000877756280 1055114516 /nfs/dbraw/zinc/11/45/16/1055114516.db2.gz FAMDUBKXSLKIHL-LLVKDONJSA-N 0 3 327.453 4.173 20 10 EICDHN Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000877756286 1055115350 /nfs/dbraw/zinc/11/53/50/1055115350.db2.gz FKJHXJWDQOQBMK-HZPDHXFCSA-N 0 3 326.440 4.077 20 10 EICDHN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1[O-] ZINC000877755609 1055115391 /nfs/dbraw/zinc/11/53/91/1055115391.db2.gz HXDGGQOUAOSQCE-IEBWSBKVSA-N 0 3 336.479 4.240 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000877758389 1055116984 /nfs/dbraw/zinc/11/69/84/1055116984.db2.gz XLQYOWFZQOVCRA-YRISNDGFSA-N 0 3 336.479 4.411 20 10 EICDHN C[C@H](NCc1cccc(F)c1OCC(F)(F)F)c1ccccc1O ZINC000877758129 1055117376 /nfs/dbraw/zinc/11/73/76/1055117376.db2.gz JYQCZVFCULOIOS-NSHDSACASA-N 0 3 343.320 4.323 20 10 EICDHN C[C@H]([NH2+]Cc1cccc(F)c1OCC(F)(F)F)c1ccccc1[O-] ZINC000877758129 1055117381 /nfs/dbraw/zinc/11/73/81/1055117381.db2.gz JYQCZVFCULOIOS-NSHDSACASA-N 0 3 343.320 4.323 20 10 EICDHN C[C@H]([NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000877758388 1055117801 /nfs/dbraw/zinc/11/78/01/1055117801.db2.gz XLQYOWFZQOVCRA-MDKPJZGXSA-N 0 3 336.479 4.411 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001203556572 1055202424 /nfs/dbraw/zinc/20/24/24/1055202424.db2.gz UMAOEUNJCTWKTK-CQSZACIVSA-N 0 3 332.241 4.144 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001203556572 1055202433 /nfs/dbraw/zinc/20/24/33/1055202433.db2.gz UMAOEUNJCTWKTK-CQSZACIVSA-N 0 3 332.241 4.144 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)c2c1c(F)ccc2[O-] ZINC000765805988 1055407818 /nfs/dbraw/zinc/40/78/18/1055407818.db2.gz AZLHWHIXMKVLPS-PRIMNGNOSA-N 0 3 349.833 4.230 20 10 EICDHN CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000743375464 1058982531 /nfs/dbraw/zinc/98/25/31/1058982531.db2.gz HRMAJRWRBNTORY-FQEVSTJZSA-N 0 3 346.474 4.252 20 10 EICDHN CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000743375464 1058982549 /nfs/dbraw/zinc/98/25/49/1058982549.db2.gz HRMAJRWRBNTORY-FQEVSTJZSA-N 0 3 346.474 4.252 20 10 EICDHN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 ZINC000746048887 1059983867 /nfs/dbraw/zinc/98/38/67/1059983867.db2.gz LHMLHUJNZIYTOF-ZACQAIPSSA-N 0 3 342.458 4.290 20 10 EICDHN Cc1cc(CN2CCCC(F)(F)CC2)c(O)cc1Br ZINC001250120697 1051879099 /nfs/dbraw/zinc/87/90/99/1051879099.db2.gz NDUKPYLQSZUPIB-UHFFFAOYSA-N 0 3 334.204 4.084 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1[O-] ZINC000529664181 1032518744 /nfs/dbraw/zinc/51/87/44/1032518744.db2.gz DWVJZUNLZOLYSO-OAHLLOKOSA-N 0 3 338.234 4.485 20 10 EICDHN Cn1cc(CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000274863840 1019802735 /nfs/dbraw/zinc/80/27/35/1019802735.db2.gz BZJCROJZRBSREX-OAQYLSRUSA-N 0 3 349.478 4.022 20 10 EICDHN CC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1[O-] ZINC000155327039 1020489518 /nfs/dbraw/zinc/48/95/18/1020489518.db2.gz FAKUVDJYLCMPFQ-HNNXBMFYSA-N 0 3 333.815 4.058 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1[O-] ZINC000155334420 1020500447 /nfs/dbraw/zinc/50/04/47/1020500447.db2.gz CJUBYAATFYJYQA-KXBFYZLASA-N 0 3 338.451 4.321 20 10 EICDHN CC[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[O-] ZINC000155369613 1020545557 /nfs/dbraw/zinc/54/55/57/1020545557.db2.gz BFGNMTFIFJIFEA-DYESRHJHSA-N 0 3 339.435 4.355 20 10 EICDHN CC[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000180716064 1022803518 /nfs/dbraw/zinc/80/35/18/1022803518.db2.gz FNWYHEWQUQQOLR-RTBURBONSA-N 0 3 328.431 4.456 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C)[C@@H]2c2cccs2)c([O-])c1 ZINC000363859305 1022861606 /nfs/dbraw/zinc/86/16/06/1022861606.db2.gz FKKHRLIQFXSOSJ-DOXZYTNZSA-N 0 3 330.497 4.106 20 10 EICDHN CCC[C@H](NCc1ccc(N2CCSCC2)cc1)c1cccnc1 ZINC000185062366 1023001872 /nfs/dbraw/zinc/00/18/72/1023001872.db2.gz KSRFZMOOOXAGFC-FQEVSTJZSA-N 0 3 341.524 4.266 20 10 EICDHN CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000185140321 1023011391 /nfs/dbraw/zinc/01/13/91/1023011391.db2.gz PYFKFAYNGFAUMO-SGTLLEGYSA-N 0 3 327.403 4.456 20 10 EICDHN CC(C)(C)[C@@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc21 ZINC000662811026 1024073047 /nfs/dbraw/zinc/07/30/47/1024073047.db2.gz UPMRQBOYWNCWLM-LJQANCHMSA-N 0 3 334.463 4.122 20 10 EICDHN Cc1cncc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)c1 ZINC000181837657 1024912023 /nfs/dbraw/zinc/91/20/23/1024912023.db2.gz TUCABYINWQWLIG-INIZCTEOSA-N 0 3 327.447 4.370 20 10 EICDHN CCCN(Cc1ccccc1O)Cc1cccc(C(=O)OC)c1Cl ZINC001167522337 1025907222 /nfs/dbraw/zinc/90/72/22/1025907222.db2.gz YQXLZGSQAKXZFH-UHFFFAOYSA-N 0 3 347.842 4.244 20 10 EICDHN CC[C@H]([NH2+][C@H]1C[C@@H](C(=O)OC)c2ccccc21)c1ccc(C)cc1[O-] ZINC000375663291 1025978688 /nfs/dbraw/zinc/97/86/88/1025978688.db2.gz JKDPKUKXLDFVSS-QYZOEREBSA-N 0 3 339.435 4.143 20 10 EICDHN CCCC[N@H+](Cc1cnc2onc(C)c2c1)Cc1ccccc1[O-] ZINC000894678421 1026313792 /nfs/dbraw/zinc/31/37/92/1026313792.db2.gz ASZOTPAHBVCHHW-UHFFFAOYSA-N 0 3 325.412 4.039 20 10 EICDHN CCCC[N@@H+](Cc1cnc2onc(C)c2c1)Cc1ccccc1[O-] ZINC000894678421 1026313809 /nfs/dbraw/zinc/31/38/09/1026313809.db2.gz ASZOTPAHBVCHHW-UHFFFAOYSA-N 0 3 325.412 4.039 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2Br)c1 ZINC000048819627 1026644525 /nfs/dbraw/zinc/64/45/25/1026644525.db2.gz OHJBQVFCLKRFGS-LLVKDONJSA-N 0 3 336.229 4.014 20 10 EICDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cnc2ccsc2c1 ZINC000122467820 1027888160 /nfs/dbraw/zinc/88/81/60/1027888160.db2.gz MFXLURSEEFRGSB-LBPRGKRZSA-N 0 3 329.444 4.352 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1ccnn1-c1ccccc1C ZINC000475195104 1029415560 /nfs/dbraw/zinc/41/55/60/1029415560.db2.gz MUEBNYXQCSCYMU-UHFFFAOYSA-N 0 3 344.462 4.271 20 10 EICDHN COc1ccc(OC)c([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000193000914 1029656104 /nfs/dbraw/zinc/65/61/04/1029656104.db2.gz NBLIKNZOXXFDCY-GJZGRUSLSA-N 0 3 328.456 4.182 20 10 EICDHN COc1ccc(O)c([C@@H](C)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000185152503 1030122229 /nfs/dbraw/zinc/12/22/29/1030122229.db2.gz LEBYOCSQHNDDOS-VFNWGFHPSA-N 0 3 334.419 4.236 20 10 EICDHN Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185676128 1030215494 /nfs/dbraw/zinc/21/54/94/1030215494.db2.gz SLXUHVBPFLQPEW-ZIAGYGMSSA-N 0 3 339.414 4.437 20 10 EICDHN C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cc(F)ccc1[O-] ZINC000185858388 1030232501 /nfs/dbraw/zinc/23/25/01/1030232501.db2.gz LHDFFVGVWJLSLY-LBPRGKRZSA-N 0 3 344.361 4.219 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1[O-] ZINC000527936709 1030979094 /nfs/dbraw/zinc/97/90/94/1030979094.db2.gz XNOBCLRVZHRLMT-MFKMUULPSA-N 0 3 347.768 4.005 20 10 EICDHN COc1cc(C)cc(CN[C@H](C)c2ccccc2OC(F)F)c1O ZINC000894162901 1034424563 /nfs/dbraw/zinc/42/45/63/1034424563.db2.gz ARVZQTWNHOQZEW-GFCCVEGCSA-N 0 3 337.366 4.161 20 10 EICDHN CC[C@H](NCc1nc2cc(Cl)ccc2n1C)c1ccc(C)cc1O ZINC000280207799 1035198646 /nfs/dbraw/zinc/19/86/46/1035198646.db2.gz TWLLDFPNUZCREH-HNNXBMFYSA-N 0 3 343.858 4.482 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CCc2c(C)[nH]c3ccccc32)c1[O-] ZINC000761198176 1036012567 /nfs/dbraw/zinc/01/25/67/1036012567.db2.gz ONEAWTUAWFMKHO-UHFFFAOYSA-N 0 3 344.842 4.176 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CCc2c[nH]c3cc(C)ccc23)c1[O-] ZINC000761197656 1036013737 /nfs/dbraw/zinc/01/37/37/1036013737.db2.gz AWYPQBALBSHCCH-UHFFFAOYSA-N 0 3 344.842 4.176 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000156981822 1036786198 /nfs/dbraw/zinc/78/61/98/1036786198.db2.gz OBGLQRRCJGVPNL-CMKODMSKSA-N 0 3 346.421 4.157 20 10 EICDHN CCOCc1cc(CNC(C)(C)c2ccc(F)cc2)ccc1OC ZINC000171440496 1037402490 /nfs/dbraw/zinc/40/24/90/1037402490.db2.gz VUCXKCUTSPZQMN-UHFFFAOYSA-N 0 3 331.431 4.396 20 10 EICDHN Oc1ccccc1CNCc1ccc(Cl)cc1Br ZINC000157356300 1037479888 /nfs/dbraw/zinc/47/98/88/1037479888.db2.gz MYYJESKBOFRDPK-UHFFFAOYSA-N 0 3 326.621 4.098 20 10 EICDHN COc1ncc([C@H](C)NCc2c(C)c3ccccc3n2C)cc1Cl ZINC000551513553 1040364715 /nfs/dbraw/zinc/36/47/15/1040364715.db2.gz QSACQKBAKVXEMQ-ZDUSSCGKSA-N 0 3 343.858 4.395 20 10 EICDHN C[C@@H]1CCCN(c2ccc(CNCc3cccnc3)cc2Cl)C1 ZINC000282096539 1041334006 /nfs/dbraw/zinc/33/40/06/1041334006.db2.gz SEUWNRMXNDPWGQ-OAHLLOKOSA-N 0 3 329.875 4.261 20 10 EICDHN CC(C)(C)c1cc(O)c(O)c(CN2CCCc3sccc3C2)c1 ZINC000730455426 1043527850 /nfs/dbraw/zinc/52/78/50/1043527850.db2.gz RUUNPLPWENMGQB-UHFFFAOYSA-N 0 3 331.481 4.405 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCc3ccccc3F)c2c1 ZINC000731661672 1043811793 /nfs/dbraw/zinc/81/17/93/1043811793.db2.gz SSTUNLUUKPTNNV-UHFFFAOYSA-N 0 3 339.410 4.368 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCc3ccccc3F)c2c1 ZINC000731661672 1043811801 /nfs/dbraw/zinc/81/18/01/1043811801.db2.gz SSTUNLUUKPTNNV-UHFFFAOYSA-N 0 3 339.410 4.368 20 10 EICDHN CC(C)[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1cnn(C)c1 ZINC000922893366 1043829742 /nfs/dbraw/zinc/82/97/42/1043829742.db2.gz GLMCHXGYCKRSAQ-NRFANRHFSA-N 0 3 335.451 4.280 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)c2c1 ZINC000766118822 1044220796 /nfs/dbraw/zinc/22/07/96/1044220796.db2.gz OMFCCILLWDJSCX-GFCCVEGCSA-N 0 3 339.357 4.328 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](CC(F)(F)F)C3)c2c1 ZINC000766118822 1044220822 /nfs/dbraw/zinc/22/08/22/1044220822.db2.gz OMFCCILLWDJSCX-GFCCVEGCSA-N 0 3 339.357 4.328 20 10 EICDHN CCc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)n[nH]1 ZINC000765991684 1044774726 /nfs/dbraw/zinc/77/47/26/1044774726.db2.gz FTTRBLNVXHJQHO-MRXNPFEDSA-N 0 3 326.488 4.203 20 10 EICDHN CCc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)[nH]n1 ZINC000765991684 1044774742 /nfs/dbraw/zinc/77/47/42/1044774742.db2.gz FTTRBLNVXHJQHO-MRXNPFEDSA-N 0 3 326.488 4.203 20 10 EICDHN COc1cccc([O-])c1C[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000736641383 1044960846 /nfs/dbraw/zinc/96/08/46/1044960846.db2.gz HQALGTOKFCISBH-UHFFFAOYSA-N 0 3 346.496 4.237 20 10 EICDHN COc1cccc([O-])c1C[NH2+]CCCCc1ccc(Cl)s1 ZINC000790602404 1045544194 /nfs/dbraw/zinc/54/41/94/1045544194.db2.gz VGDDWRKNNKIJRK-UHFFFAOYSA-N 0 3 325.861 4.228 20 10 EICDHN CN(C)c1ccc(CN2CCCCC[C@@H]2c2ccncc2)cc1F ZINC000768138866 1045727468 /nfs/dbraw/zinc/72/74/68/1045727468.db2.gz VODYXNQBLCLLCC-LJQANCHMSA-N 0 3 327.447 4.404 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2cc[nH]c21)C[C@H]1CCCO1 ZINC000768162145 1045730840 /nfs/dbraw/zinc/73/08/40/1045730840.db2.gz MGSGNCHSCMNYLH-LJQANCHMSA-N 0 3 336.435 4.055 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc2cc[nH]c21)C[C@H]1CCCO1 ZINC000768162145 1045730854 /nfs/dbraw/zinc/73/08/54/1045730854.db2.gz MGSGNCHSCMNYLH-LJQANCHMSA-N 0 3 336.435 4.055 20 10 EICDHN C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000768293114 1045782551 /nfs/dbraw/zinc/78/25/51/1045782551.db2.gz LLISQQGBKSXIMO-WVFSVQOHSA-N 0 3 329.484 4.127 20 10 EICDHN COc1cc(O)c(CN2CCC[C@@H]2c2ccccc2Cl)cc1OC ZINC000768441683 1045807542 /nfs/dbraw/zinc/80/75/42/1045807542.db2.gz FOMAARVWYNLMAF-MRXNPFEDSA-N 0 3 347.842 4.400 20 10 EICDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CCC1CCCCC1)[C@@H](O)CO2 ZINC000768463729 1045810755 /nfs/dbraw/zinc/81/07/55/1045810755.db2.gz WAZMELVIQHVVOK-XLIONFOSSA-N 0 3 345.483 4.143 20 10 EICDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CCC1CCCCC1)[C@@H](O)CO2 ZINC000768463729 1045810759 /nfs/dbraw/zinc/81/07/59/1045810759.db2.gz WAZMELVIQHVVOK-XLIONFOSSA-N 0 3 345.483 4.143 20 10 EICDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CCC1CCCCC1)[C@@H](O)CO2 ZINC000768463726 1045811003 /nfs/dbraw/zinc/81/10/03/1045811003.db2.gz WAZMELVIQHVVOK-PXNSSMCTSA-N 0 3 345.483 4.143 20 10 EICDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CCC1CCCCC1)[C@@H](O)CO2 ZINC000768463726 1045811008 /nfs/dbraw/zinc/81/10/08/1045811008.db2.gz WAZMELVIQHVVOK-PXNSSMCTSA-N 0 3 345.483 4.143 20 10 EICDHN C[C@H]1CCSCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000792196324 1045876842 /nfs/dbraw/zinc/87/68/42/1045876842.db2.gz IGQSIMWXEXCHCD-INIZCTEOSA-N 0 3 343.492 4.299 20 10 EICDHN C[C@H]1CCSCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000792196324 1045876847 /nfs/dbraw/zinc/87/68/47/1045876847.db2.gz IGQSIMWXEXCHCD-INIZCTEOSA-N 0 3 343.492 4.299 20 10 EICDHN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000769149002 1045885309 /nfs/dbraw/zinc/88/53/09/1045885309.db2.gz WQJYCVKUNHZAFJ-JKSUJKDBSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000769149002 1045885312 /nfs/dbraw/zinc/88/53/12/1045885312.db2.gz WQJYCVKUNHZAFJ-JKSUJKDBSA-N 0 3 336.907 4.132 20 10 EICDHN COc1cccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1[O-] ZINC000769212746 1045895264 /nfs/dbraw/zinc/89/52/64/1045895264.db2.gz RJZSRGOSDUUKMV-NQIIRXRSSA-N 0 3 341.451 4.001 20 10 EICDHN COc1cccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c1[O-] ZINC000769212746 1045895258 /nfs/dbraw/zinc/89/52/58/1045895258.db2.gz RJZSRGOSDUUKMV-NQIIRXRSSA-N 0 3 341.451 4.001 20 10 EICDHN CCOc1ccc(C[NH+]2CCC(c3ccc(OC)cc3)CC2)c([O-])c1 ZINC000769398504 1045949476 /nfs/dbraw/zinc/94/94/76/1045949476.db2.gz RUDDAEXXFCPFMY-UHFFFAOYSA-N 0 3 341.451 4.179 20 10 EICDHN CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483151 1045967365 /nfs/dbraw/zinc/96/73/65/1045967365.db2.gz MXNHMVBTSDZGEL-CQSZACIVSA-N 0 3 331.287 4.005 20 10 EICDHN CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769483151 1045967379 /nfs/dbraw/zinc/96/73/79/1045967379.db2.gz MXNHMVBTSDZGEL-CQSZACIVSA-N 0 3 331.287 4.005 20 10 EICDHN COc1cccc(CN2CCc3cc(-c4ccccc4)oc3C2)c1O ZINC000769563100 1046022992 /nfs/dbraw/zinc/02/29/92/1046022992.db2.gz QCHBJWFZFJNEOJ-UHFFFAOYSA-N 0 3 335.403 4.219 20 10 EICDHN CCOC[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792823177 1046074270 /nfs/dbraw/zinc/07/42/70/1046074270.db2.gz QATPDWGHFDAFCV-CQSZACIVSA-N 0 3 344.421 4.020 20 10 EICDHN COc1cccc(O)c1CN1CCC(=Cc2ccccc2F)CC1 ZINC000770304427 1046176161 /nfs/dbraw/zinc/17/61/61/1046176161.db2.gz DZIJBCHPMVPCDS-UHFFFAOYSA-N 0 3 327.399 4.219 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000770509509 1046210488 /nfs/dbraw/zinc/21/04/88/1046210488.db2.gz BRFOLDFUQGVAOP-UHFFFAOYSA-N 0 3 347.458 4.366 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000770509509 1046210499 /nfs/dbraw/zinc/21/04/99/1046210499.db2.gz BRFOLDFUQGVAOP-UHFFFAOYSA-N 0 3 347.458 4.366 20 10 EICDHN COc1ccc(C[NH2+][C@H](C)CCc2ccc(Cl)s2)c([O-])c1 ZINC000793386744 1046228705 /nfs/dbraw/zinc/22/87/05/1046228705.db2.gz YVHZZYGXALFGQN-LLVKDONJSA-N 0 3 325.861 4.227 20 10 EICDHN COc1ccc(CNCc2ccc(-c3cccc(F)c3F)o2)c(O)c1 ZINC000793388582 1046233032 /nfs/dbraw/zinc/23/30/32/1046233032.db2.gz PXRONTXXMXFRRI-UHFFFAOYSA-N 0 3 345.345 4.229 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)c([O-])c1 ZINC000793388582 1046233055 /nfs/dbraw/zinc/23/30/55/1046233055.db2.gz PXRONTXXMXFRRI-UHFFFAOYSA-N 0 3 345.345 4.229 20 10 EICDHN COc1ccc(CNCc2ccc(-c3ccccc3)cc2OC)c(O)c1 ZINC000793389045 1046233605 /nfs/dbraw/zinc/23/36/05/1046233605.db2.gz UFAIBOZGRLKJGA-UHFFFAOYSA-N 0 3 349.430 4.366 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)c([O-])c1 ZINC000793389045 1046233626 /nfs/dbraw/zinc/23/36/26/1046233626.db2.gz UFAIBOZGRLKJGA-UHFFFAOYSA-N 0 3 349.430 4.366 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000793624025 1046317416 /nfs/dbraw/zinc/31/74/16/1046317416.db2.gz KGRALMKHOZYZLH-UHFFFAOYSA-N 0 3 337.463 4.452 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCO2)c1cc(Br)cs1 ZINC000786822469 1046875453 /nfs/dbraw/zinc/87/54/53/1046875453.db2.gz ZAPFYTUKHQKGNJ-JTQLQIEISA-N 0 3 338.270 4.296 20 10 EICDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1csc(Cl)c1 ZINC000786900899 1046878631 /nfs/dbraw/zinc/87/86/31/1046878631.db2.gz XJQDKRRTECDNQQ-ZDUSSCGKSA-N 0 3 336.888 4.089 20 10 EICDHN Cc1cccc(CN[C@@H](C)c2cc(F)ccc2O)c1Br ZINC000786943708 1046889531 /nfs/dbraw/zinc/88/95/31/1046889531.db2.gz AFBJYKGZWDMJPK-NSHDSACASA-N 0 3 338.220 4.453 20 10 EICDHN CN(Cc1cc(Cl)cc(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000917477415 1046900606 /nfs/dbraw/zinc/90/06/06/1046900606.db2.gz MXMOAPWIPUWECV-UHFFFAOYSA-N 0 3 340.206 4.060 20 10 EICDHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccccc1Cl)OCO2 ZINC000917482717 1046906607 /nfs/dbraw/zinc/90/66/07/1046906607.db2.gz LCDLHILRDCCHTD-OAHLLOKOSA-N 0 3 331.799 4.111 20 10 EICDHN CCCN1CC[C@@H](C[NH2+][C@@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133002 1047125088 /nfs/dbraw/zinc/12/50/88/1047125088.db2.gz FDWOAKMTYPMYTK-LRDDRELGSA-N 0 3 345.314 4.472 20 10 EICDHN CCC(O)(CC)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000788261888 1047146022 /nfs/dbraw/zinc/14/60/22/1047146022.db2.gz LQNHTZIPFZAVQV-LBPRGKRZSA-N 0 3 344.293 4.055 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806172497 1047157770 /nfs/dbraw/zinc/15/77/70/1047157770.db2.gz NENUJVPLMXZOBG-KKSFZXQISA-N 0 3 343.490 4.235 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCSC2)c1[O-] ZINC000806178096 1047186992 /nfs/dbraw/zinc/18/69/92/1047186992.db2.gz OSJYIXMMBHAQJQ-NWDGAFQWSA-N 0 3 344.318 4.257 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c([O-])c1 ZINC000788776775 1047312700 /nfs/dbraw/zinc/31/27/00/1047312700.db2.gz NCLZEBVHCKKLQQ-SVMVAKDDSA-N 0 3 341.495 4.289 20 10 EICDHN C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788779998 1047315102 /nfs/dbraw/zinc/31/51/02/1047315102.db2.gz AEVWFLMPSIZKMV-CYBMUJFWSA-N 0 3 344.421 4.184 20 10 EICDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171065757 1047932623 /nfs/dbraw/zinc/93/26/23/1047932623.db2.gz AFASZWYDILGENC-CYBMUJFWSA-N 0 3 338.234 4.052 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c1[O-] ZINC000824971736 1048011930 /nfs/dbraw/zinc/01/19/30/1048011930.db2.gz XQWROJBAKRQJGS-ZDUSSCGKSA-N 0 3 338.662 4.118 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)NCc2cccnc2OC(C)C)c1O ZINC000808676639 1048045565 /nfs/dbraw/zinc/04/55/65/1048045565.db2.gz HWGLWJQFQBGHAU-CYBMUJFWSA-N 0 3 334.847 4.387 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1[O-] ZINC000808674976 1048046437 /nfs/dbraw/zinc/04/64/37/1048046437.db2.gz SMTYXOLYOKVEAM-AWEZNQCLSA-N 0 3 345.874 4.200 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1[O-] ZINC000808676579 1048046711 /nfs/dbraw/zinc/04/67/11/1048046711.db2.gz GGQZQIYEDWFWJW-CQSZACIVSA-N 0 3 341.842 4.391 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1[O-] ZINC000808675735 1048047427 /nfs/dbraw/zinc/04/74/27/1048047427.db2.gz QQJXYTQOZGLVAT-AWEZNQCLSA-N 0 3 345.874 4.200 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCSCC(F)(F)F)c1[O-] ZINC000808709093 1048055065 /nfs/dbraw/zinc/05/50/65/1048055065.db2.gz BSNQRHSCAHWMMJ-SECBINFHSA-N 0 3 327.799 4.300 20 10 EICDHN CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808709839 1048057374 /nfs/dbraw/zinc/05/73/74/1048057374.db2.gz ZYXIREFGMJARNB-GFCCVEGCSA-N 0 3 335.879 4.063 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)NCc2nn(C)c3ccccc23)c1O ZINC000808713064 1048062630 /nfs/dbraw/zinc/06/26/30/1048062630.db2.gz FCKSPCMJSOPNJS-GFCCVEGCSA-N 0 3 329.831 4.092 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1[O-] ZINC000808694750 1048077132 /nfs/dbraw/zinc/07/71/32/1048077132.db2.gz GVYRBDGNJAGMGH-NWDGAFQWSA-N 0 3 347.846 4.256 20 10 EICDHN Cc1cccn2cc(CC[NH2+][C@@H](C)c3cc(Cl)cc(C)c3[O-])nc12 ZINC000808699942 1048079373 /nfs/dbraw/zinc/07/93/73/1048079373.db2.gz FMCUHVRNYDVTFC-AWEZNQCLSA-N 0 3 343.858 4.203 20 10 EICDHN CC[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccccc1[O-] ZINC000155110579 1048161536 /nfs/dbraw/zinc/16/15/36/1048161536.db2.gz DTQAPROBIRYQJE-SFHVURJKSA-N 0 3 326.440 4.350 20 10 EICDHN CCN(C)c1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000815118360 1048335667 /nfs/dbraw/zinc/33/56/67/1048335667.db2.gz NYYQLJYBOXBJFI-LJQANCHMSA-N 0 3 332.875 4.009 20 10 EICDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171147110 1048464307 /nfs/dbraw/zinc/46/43/07/1048464307.db2.gz ZQGLOPJEWGKHAR-ZDUSSCGKSA-N 0 3 338.234 4.052 20 10 EICDHN CSC1(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)CC1 ZINC000809731605 1048481941 /nfs/dbraw/zinc/48/19/41/1048481941.db2.gz LFBHNCJCDUJCKA-UHFFFAOYSA-N 0 3 330.497 4.243 20 10 EICDHN C[C@@H](NCc1cc(F)ccc1O)c1ccc(Br)cc1F ZINC000809719475 1048495682 /nfs/dbraw/zinc/49/56/82/1048495682.db2.gz GNXXWSMVHHCTSH-SECBINFHSA-N 0 3 342.183 4.284 20 10 EICDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(Br)cc1F ZINC000809719475 1048495688 /nfs/dbraw/zinc/49/56/88/1048495688.db2.gz GNXXWSMVHHCTSH-SECBINFHSA-N 0 3 342.183 4.284 20 10 EICDHN Cc1cccc(CN[C@H](C)c2ccc(Br)cc2F)c1O ZINC000809719669 1048497132 /nfs/dbraw/zinc/49/71/32/1048497132.db2.gz LQLLGYBCFBGKLR-LLVKDONJSA-N 0 3 338.220 4.453 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCN1C ZINC000815583954 1048523792 /nfs/dbraw/zinc/52/37/92/1048523792.db2.gz RTCLNYGZVXWRFH-LMNJBCLMSA-N 0 3 338.495 4.138 20 10 EICDHN CO[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C(C)C ZINC000815585362 1048524043 /nfs/dbraw/zinc/52/40/43/1048524043.db2.gz FOXAODOHZSPUII-PZJWPPBQSA-N 0 3 327.468 4.327 20 10 EICDHN C[C@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCCO1 ZINC000815587735 1048525725 /nfs/dbraw/zinc/52/57/25/1048525725.db2.gz RTNYUSLNUVNKDY-TZIWHRDSSA-N 0 3 325.452 4.225 20 10 EICDHN Cc1cc(C[C@H](C)[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])[nH]n1 ZINC000815596899 1048529133 /nfs/dbraw/zinc/52/91/33/1048529133.db2.gz HFKFPRRWAVUPTG-KKSFZXQISA-N 0 3 349.478 4.318 20 10 EICDHN Cc1cc(C[C@H](C)[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])n[nH]1 ZINC000815596899 1048529142 /nfs/dbraw/zinc/52/91/42/1048529142.db2.gz HFKFPRRWAVUPTG-KKSFZXQISA-N 0 3 349.478 4.318 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000809778912 1048529345 /nfs/dbraw/zinc/52/93/45/1048529345.db2.gz XQDPLPQGQAWWAN-KRWDZBQOSA-N 0 3 343.492 4.204 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000815597870 1048529547 /nfs/dbraw/zinc/52/95/47/1048529547.db2.gz IAEMDVLUJFQGIA-UZLBHIALSA-N 0 3 325.452 4.173 20 10 EICDHN Cc1cc(C)c([C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)c(O)c1 ZINC000815596027 1048531134 /nfs/dbraw/zinc/53/11/34/1048531134.db2.gz ILJVJXPQYMMOHH-LBPRGKRZSA-N 0 3 334.803 4.421 20 10 EICDHN CCOCC(C)(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809789359 1048533615 /nfs/dbraw/zinc/53/36/15/1048533615.db2.gz CVTDQZCUJDMYQV-UHFFFAOYSA-N 0 3 343.467 4.124 20 10 EICDHN Cc1cc(Br)cc(CN[C@H]2c3ccccc3O[C@@H]2C)c1O ZINC000809788511 1048534688 /nfs/dbraw/zinc/53/46/88/1048534688.db2.gz SLMDEUYEMYZRIU-BDJLRTHQSA-N 0 3 348.240 4.075 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)c1[O-] ZINC000809788511 1048534697 /nfs/dbraw/zinc/53/46/97/1048534697.db2.gz SLMDEUYEMYZRIU-BDJLRTHQSA-N 0 3 348.240 4.075 20 10 EICDHN CCC[C@]1(CO)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809790980 1048536309 /nfs/dbraw/zinc/53/63/09/1048536309.db2.gz RGYMAPFCOGJFMV-NRFANRHFSA-N 0 3 325.452 4.044 20 10 EICDHN CCC[C@]1(CO)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809790980 1048536321 /nfs/dbraw/zinc/53/63/21/1048536321.db2.gz RGYMAPFCOGJFMV-NRFANRHFSA-N 0 3 325.452 4.044 20 10 EICDHN COCC(C)(C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815629002 1048553395 /nfs/dbraw/zinc/55/33/95/1048553395.db2.gz PYMYBCMUCCZSFG-LJQANCHMSA-N 0 3 327.468 4.328 20 10 EICDHN CSc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])N(C)C)cc1 ZINC000815660187 1048562567 /nfs/dbraw/zinc/56/25/67/1048562567.db2.gz UBDWRWWSTMKXOJ-KXBFYZLASA-N 0 3 344.524 4.376 20 10 EICDHN CO[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815651408 1048576115 /nfs/dbraw/zinc/57/61/15/1048576115.db2.gz SDQFFYMEGTVWKI-CTNGQTDRSA-N 0 3 325.452 4.081 20 10 EICDHN C[C@H](NCc1cc(O)cc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000810153145 1048659240 /nfs/dbraw/zinc/65/92/40/1048659240.db2.gz PCSVNIAZCDUDAI-LBPRGKRZSA-N 0 3 338.373 4.328 20 10 EICDHN CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207173 1048702656 /nfs/dbraw/zinc/70/26/56/1048702656.db2.gz DTBMBQAGPGAJLP-AWEZNQCLSA-N 0 3 332.410 4.040 20 10 EICDHN CC[C@H]([NH2+]C[C@]1(CC)OCCc2ccccc21)c1ccccc1[O-] ZINC000810243557 1048725851 /nfs/dbraw/zinc/72/58/51/1048725851.db2.gz QDWPQAHOCOQVJO-FPOVZHCZSA-N 0 3 325.452 4.311 20 10 EICDHN CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])c2ccccc21 ZINC000846084198 1048810410 /nfs/dbraw/zinc/81/04/10/1048810410.db2.gz VOZNTPBBWXHNIX-QZTJIDSGSA-N 0 3 339.435 4.052 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118561 1048815584 /nfs/dbraw/zinc/81/55/84/1048815584.db2.gz XMGJCDLEVSJBMP-LJQANCHMSA-N 0 3 345.389 4.202 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118561 1048815586 /nfs/dbraw/zinc/81/55/86/1048815586.db2.gz XMGJCDLEVSJBMP-LJQANCHMSA-N 0 3 345.389 4.202 20 10 EICDHN COCC[N@H+](Cc1ccc(C)o1)Cc1ccc2ccccc2c1[O-] ZINC000816515748 1048824546 /nfs/dbraw/zinc/82/45/46/1048824546.db2.gz JQPITNVROFQJLA-UHFFFAOYSA-N 0 3 325.408 4.095 20 10 EICDHN COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc2ccccc2c1[O-] ZINC000816515748 1048824548 /nfs/dbraw/zinc/82/45/48/1048824548.db2.gz JQPITNVROFQJLA-UHFFFAOYSA-N 0 3 325.408 4.095 20 10 EICDHN COc1cccc([C@@H](C)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)c1O ZINC000846153231 1048825154 /nfs/dbraw/zinc/82/51/54/1048825154.db2.gz HZQXPSYSJXVBLL-WBMJQRKESA-N 0 3 345.414 4.493 20 10 EICDHN COc1cccc([C@H](C)N[C@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000846169163 1048827982 /nfs/dbraw/zinc/82/79/82/1048827982.db2.gz PIOYZSGXJYCUPS-ZANVPECISA-N 0 3 337.341 4.156 20 10 EICDHN COc1cccc([C@@H](C)N[C@H]2CCOc3c(Cl)cccc32)c1O ZINC000846141202 1048830548 /nfs/dbraw/zinc/83/05/48/1048830548.db2.gz FYVSGTXJNUZMRT-ABAIWWIYSA-N 0 3 333.815 4.229 20 10 EICDHN Cc1ccc([C@H](C)N[C@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000846207201 1048834251 /nfs/dbraw/zinc/83/42/51/1048834251.db2.gz LJNMPWRRAXDXCL-QFBILLFUSA-N 0 3 335.451 4.069 20 10 EICDHN C[C@H](O)[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1F ZINC000846182978 1048836156 /nfs/dbraw/zinc/83/61/56/1048836156.db2.gz MNUIMUGUGCCUFI-RXSFTSLZSA-N 0 3 343.442 4.183 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCC1(O)CCC1 ZINC000817587421 1049016863 /nfs/dbraw/zinc/01/68/63/1049016863.db2.gz WMRCJPZOLXMYHY-HXUWFJFHSA-N 0 3 339.479 4.351 20 10 EICDHN C[C@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1cnccc1N ZINC000817897354 1049054079 /nfs/dbraw/zinc/05/40/79/1049054079.db2.gz MAUCRGFXKUMLJW-INIZCTEOSA-N 0 3 338.499 4.114 20 10 EICDHN CC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966636 1049071292 /nfs/dbraw/zinc/07/12/92/1049071292.db2.gz SDTFNNUNRPGVCS-CJNGLKHVSA-N 0 3 331.287 4.129 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2c1c(F)ccc2[O-] ZINC000817977461 1049077626 /nfs/dbraw/zinc/07/76/26/1049077626.db2.gz KRLDAJKMKOYBGW-SJKOYZFVSA-N 0 3 326.415 4.228 20 10 EICDHN CN(C)c1ccc(CN(C)Cc2ccc3ccc(F)c(F)c3n2)cc1 ZINC000820850294 1049567915 /nfs/dbraw/zinc/56/79/15/1049567915.db2.gz BAIAGHXTEOKBJQ-UHFFFAOYSA-N 0 3 341.405 4.211 20 10 EICDHN O[C@@H](c1ccccc1)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000813783602 1049815558 /nfs/dbraw/zinc/81/55/58/1049815558.db2.gz XVCXQSUBIGWETO-PKTZIBPZSA-N 0 3 345.442 4.186 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)c2c1c(F)ccc2[O-] ZINC000813883500 1049831549 /nfs/dbraw/zinc/83/15/49/1049831549.db2.gz OEEGXYSDPAMCIK-IOASZLSFSA-N 0 3 344.405 4.087 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079047 1050294468 /nfs/dbraw/zinc/29/44/68/1050294468.db2.gz VDPFXCFODKBTHE-NVXWUHKLSA-N 0 3 348.487 4.002 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079047 1050294478 /nfs/dbraw/zinc/29/44/78/1050294478.db2.gz VDPFXCFODKBTHE-NVXWUHKLSA-N 0 3 348.487 4.002 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079057 1050294861 /nfs/dbraw/zinc/29/48/61/1050294861.db2.gz VDPFXCFODKBTHE-WBVHZDCISA-N 0 3 348.487 4.002 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173079057 1050294869 /nfs/dbraw/zinc/29/48/69/1050294869.db2.gz VDPFXCFODKBTHE-WBVHZDCISA-N 0 3 348.487 4.002 20 10 EICDHN CCN(C)c1ccc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000773756261 1050504609 /nfs/dbraw/zinc/50/46/09/1050504609.db2.gz VFEYFBXBPMHGHT-UPCLLVRISA-N 0 3 344.524 4.073 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccccc1[O-] ZINC000775129964 1050577499 /nfs/dbraw/zinc/57/74/99/1050577499.db2.gz JDKPDRBTZXCBFC-INIZCTEOSA-N 0 3 334.419 4.217 20 10 EICDHN CCN(C)c1ccc(CN2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773826102 1050773675 /nfs/dbraw/zinc/77/36/75/1050773675.db2.gz ZFWMBJHCODOJBJ-UHFFFAOYSA-N 0 3 341.886 4.480 20 10 EICDHN CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(CC)CC ZINC001179950748 1050827377 /nfs/dbraw/zinc/82/73/77/1050827377.db2.gz HHTPXAFAXQNDPO-MOPGFXCFSA-N 0 3 335.488 4.125 20 10 EICDHN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(CC)CC ZINC001179950748 1050827383 /nfs/dbraw/zinc/82/73/83/1050827383.db2.gz HHTPXAFAXQNDPO-MOPGFXCFSA-N 0 3 335.488 4.125 20 10 EICDHN COc1ccc(CN2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962791 1050848955 /nfs/dbraw/zinc/84/89/55/1050848955.db2.gz SJSRDQWUIDMKPD-XJKSGUPXSA-N 0 3 345.439 4.284 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cn2ccnc2s1)C1CCCC1 ZINC001180288593 1050956454 /nfs/dbraw/zinc/95/64/54/1050956454.db2.gz ITCHPTVWZIJPTJ-UHFFFAOYSA-N 0 3 327.453 4.046 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cn2ccnc2s1)C1CCCC1 ZINC001180288593 1050956464 /nfs/dbraw/zinc/95/64/64/1050956464.db2.gz ITCHPTVWZIJPTJ-UHFFFAOYSA-N 0 3 327.453 4.046 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC001180430049 1050985717 /nfs/dbraw/zinc/98/57/17/1050985717.db2.gz KXMRVRNCNOYNSA-LJQANCHMSA-N 0 3 345.870 4.269 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC001180430049 1050985725 /nfs/dbraw/zinc/98/57/25/1050985725.db2.gz KXMRVRNCNOYNSA-LJQANCHMSA-N 0 3 345.870 4.269 20 10 EICDHN N#Cc1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])c1 ZINC000183134492 1050995120 /nfs/dbraw/zinc/99/51/20/1050995120.db2.gz GXILRDXIWJXRMW-UHFFFAOYSA-N 0 3 344.414 4.133 20 10 EICDHN Cc1nn(-c2ccccc2)cc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000183200590 1051014064 /nfs/dbraw/zinc/01/40/64/1051014064.db2.gz LBGIUIPMFSMADF-MRXNPFEDSA-N 0 3 334.467 4.098 20 10 EICDHN C[C@H](NCc1cc(Br)cs1)c1ccc(N(C)C)cc1 ZINC000071307870 1051123933 /nfs/dbraw/zinc/12/39/33/1051123933.db2.gz DRDRFEVFBNQGPA-NSHDSACASA-N 0 3 339.302 4.427 20 10 EICDHN CCOc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OCC ZINC000775363526 1051130235 /nfs/dbraw/zinc/13/02/35/1051130235.db2.gz JEOVVQSDFYBYIZ-INIZCTEOSA-N 0 3 342.483 4.401 20 10 EICDHN C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775365755 1051134403 /nfs/dbraw/zinc/13/44/03/1051134403.db2.gz WTTXGCBNKMDQAH-LBPRGKRZSA-N 0 3 338.373 4.344 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000775415981 1051289815 /nfs/dbraw/zinc/28/98/15/1051289815.db2.gz SJYPLJVCHFRAJZ-RDJZCZTQSA-N 0 3 339.357 4.185 20 10 EICDHN C[C@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)c1ccccc1[O-] ZINC001175418944 1051582382 /nfs/dbraw/zinc/58/23/82/1051582382.db2.gz QHESVHHAEKPRSS-AFJQURTJSA-N 0 3 325.452 4.132 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2c1c(F)ccc2[O-] ZINC000774430524 1051590020 /nfs/dbraw/zinc/59/00/20/1051590020.db2.gz CKNCRDLMSCYHTG-PXAZEXFGSA-N 0 3 326.415 4.143 20 10 EICDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2c1c(F)ccc2[O-] ZINC000774430574 1051591110 /nfs/dbraw/zinc/59/11/10/1051591110.db2.gz CKNCRDLMSCYHTG-YVEFUNNKSA-N 0 3 326.415 4.143 20 10 EICDHN Cc1cc(C)cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774478211 1051608908 /nfs/dbraw/zinc/60/89/08/1051608908.db2.gz BQSPUAWRFZRWIU-DLBZAZTESA-N 0 3 339.483 4.047 20 10 EICDHN Cc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000774484080 1051610546 /nfs/dbraw/zinc/61/05/46/1051610546.db2.gz OBPCFLGWYJBMSM-SJORKVTESA-N 0 3 339.483 4.047 20 10 EICDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1Cl ZINC000774483741 1051611844 /nfs/dbraw/zinc/61/18/44/1051611844.db2.gz LXGHNHVAAQCGMP-KBPBESRZSA-N 0 3 345.874 4.084 20 10 EICDHN CC[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccccc1[O-] ZINC000775502343 1051645240 /nfs/dbraw/zinc/64/52/40/1051645240.db2.gz VHELPYBKJJEFEK-HNNXBMFYSA-N 0 3 330.497 4.401 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1[O-] ZINC000775507045 1051646900 /nfs/dbraw/zinc/64/69/00/1051646900.db2.gz GOMCJRQJNLFHGC-RDJZCZTQSA-N 0 3 340.250 4.473 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCCc1ccccc1)C[C@H]1CCCO1 ZINC000071809387 1051698244 /nfs/dbraw/zinc/69/82/44/1051698244.db2.gz DTPZJTBYRFDKKF-HXUWFJFHSA-N 0 3 325.452 4.006 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCCc1ccccc1)C[C@H]1CCCO1 ZINC000071809387 1051698251 /nfs/dbraw/zinc/69/82/51/1051698251.db2.gz DTPZJTBYRFDKKF-HXUWFJFHSA-N 0 3 325.452 4.006 20 10 EICDHN Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c([O-])c1 ZINC001183137152 1051798369 /nfs/dbraw/zinc/79/83/69/1051798369.db2.gz PABFFKIBQKWOJE-LJQANCHMSA-N 0 3 338.451 4.016 20 10 EICDHN Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c([O-])c1 ZINC001183137152 1051798380 /nfs/dbraw/zinc/79/83/80/1051798380.db2.gz PABFFKIBQKWOJE-LJQANCHMSA-N 0 3 338.451 4.016 20 10 EICDHN CC[C@@H]([NH2+]CCNc1cccc(Br)c1)c1ccccc1[O-] ZINC000775545789 1051809351 /nfs/dbraw/zinc/80/93/51/1051809351.db2.gz GNJNRCHGWJADRL-MRXNPFEDSA-N 0 3 349.272 4.308 20 10 EICDHN C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1[O-] ZINC001183355946 1051828908 /nfs/dbraw/zinc/82/89/08/1051828908.db2.gz ZGDPWBAIYBBYJK-BZUAXINKSA-N 0 3 348.487 4.078 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cc(F)ccc1N(C)C ZINC001184418464 1052010219 /nfs/dbraw/zinc/01/02/19/1052010219.db2.gz PJILLGRGRUJRNL-OAHLLOKOSA-N 0 3 329.463 4.117 20 10 EICDHN Oc1cccc2c1[C@H](NCc1cc(Br)ccc1F)CC2 ZINC000295906251 1052081018 /nfs/dbraw/zinc/08/10/18/1052081018.db2.gz IWRGSGYRDJMPEL-CQSZACIVSA-N 0 3 336.204 4.071 20 10 EICDHN C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cc(F)ccc1[O-] ZINC000184857324 1052265790 /nfs/dbraw/zinc/26/57/90/1052265790.db2.gz YASVDIZVIBMWPD-RHSMWYFYSA-N 0 3 332.419 4.002 20 10 EICDHN C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cc(F)ccc1[O-] ZINC000185318641 1052580157 /nfs/dbraw/zinc/58/01/57/1052580157.db2.gz DMYCJRMQUXZFJW-GFCCVEGCSA-N 0 3 334.460 4.150 20 10 EICDHN C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000325250797 1053036199 /nfs/dbraw/zinc/03/61/99/1053036199.db2.gz VDOUIIOBFPJZEF-BEFAXECRSA-N 0 3 328.431 4.019 20 10 EICDHN COCc1csc(CNCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000850129377 1053076368 /nfs/dbraw/zinc/07/63/68/1053076368.db2.gz RYCCARQRIMLIDZ-UHFFFAOYSA-N 0 3 344.524 4.421 20 10 EICDHN COC1CC(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000850480641 1053253284 /nfs/dbraw/zinc/25/32/84/1053253284.db2.gz AYSRBTUVPAIZOU-GZNCHQMQSA-N 0 3 339.479 4.471 20 10 EICDHN COC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)c1cccc(OC)c1 ZINC000850514100 1053273279 /nfs/dbraw/zinc/27/32/79/1053273279.db2.gz LJWVANSQHQVQII-VUCTXSBTSA-N 0 3 345.414 4.066 20 10 EICDHN Cc1cc(Br)c(CN[C@H]2CCc3cccc(O)c32)s1 ZINC000850538265 1053302154 /nfs/dbraw/zinc/30/21/54/1053302154.db2.gz XKMWIWCAGQGJAR-LBPRGKRZSA-N 0 3 338.270 4.302 20 10 EICDHN CC(C)[C@@H](O)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850553946 1053310645 /nfs/dbraw/zinc/31/06/45/1053310645.db2.gz FIYRGNQUKLCFQC-ZLGUVYLKSA-N 0 3 326.484 4.161 20 10 EICDHN CC(C)[C@@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000850555152 1053310721 /nfs/dbraw/zinc/31/07/21/1053310721.db2.gz MKXDSMCGDLAVCV-JKDHXBHNSA-N 0 3 343.442 4.427 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000850558956 1053315649 /nfs/dbraw/zinc/31/56/49/1053315649.db2.gz YCTMMQUTZJVWLP-PIGZYNQJSA-N 0 3 340.250 4.392 20 10 EICDHN CC[C@H]([NH2+][C@@H](CCC(=O)OC)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794811410 1053415919 /nfs/dbraw/zinc/41/59/19/1053415919.db2.gz QZASKXFBCOGZEV-OALUTQOASA-N 0 3 341.451 4.436 20 10 EICDHN CC[C@@H]([NH2+][C@H](CCC(=O)OC)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794811412 1053415975 /nfs/dbraw/zinc/41/59/75/1053415975.db2.gz QZASKXFBCOGZEV-RTBURBONSA-N 0 3 341.451 4.436 20 10 EICDHN CC[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794811151 1053416394 /nfs/dbraw/zinc/41/63/94/1053416394.db2.gz VKGMARKCFLVTSE-QGZVFWFLSA-N 0 3 348.487 4.141 20 10 EICDHN CC[C@@H]([NH2+]CCc1c[nH]c2cccc(OC)c12)c1ccc(C)cc1[O-] ZINC000794813534 1053420101 /nfs/dbraw/zinc/42/01/01/1053420101.db2.gz AGKLSZFCNPESMZ-QGZVFWFLSA-N 0 3 338.451 4.474 20 10 EICDHN Cc1cccc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1O ZINC000775663294 1053431699 /nfs/dbraw/zinc/43/16/99/1053431699.db2.gz LPBJRJHXUNAONJ-TXEJJXNPSA-N 0 3 341.295 4.263 20 10 EICDHN C[C@H](NCc1c(Cl)nc2cc(Cl)ccn21)c1ccccc1O ZINC001203535960 1053512854 /nfs/dbraw/zinc/51/28/54/1053512854.db2.gz BSINDEGYSVCJBN-JTQLQIEISA-N 0 3 336.222 4.198 20 10 EICDHN C[C@H](N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000765435043 1053545065 /nfs/dbraw/zinc/54/50/65/1053545065.db2.gz AHXIEDFTBDOQQG-RVHYNSKXSA-N 0 3 342.458 4.463 20 10 EICDHN C[C@H](N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000765435040 1053545465 /nfs/dbraw/zinc/54/54/65/1053545465.db2.gz AHXIEDFTBDOQQG-IWMITWMQSA-N 0 3 342.458 4.463 20 10 EICDHN Cc1cc(Cl)cc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1[O-] ZINC000775679132 1053553832 /nfs/dbraw/zinc/55/38/32/1053553832.db2.gz NJUMCRNWHZLHEQ-SFHVURJKSA-N 0 3 331.843 4.318 20 10 EICDHN Cc1cc(Cl)cc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1[O-] ZINC000775679132 1053553838 /nfs/dbraw/zinc/55/38/38/1053553838.db2.gz NJUMCRNWHZLHEQ-SFHVURJKSA-N 0 3 331.843 4.318 20 10 EICDHN CCOc1ccc(C[NH2+][C@H](CC)c2cccc(OC)c2OC)c([O-])c1 ZINC000865759056 1053585106 /nfs/dbraw/zinc/58/51/06/1053585106.db2.gz SCRDFUJLBZKBOL-QGZVFWFLSA-N 0 3 345.439 4.049 20 10 EICDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853242352 1053657983 /nfs/dbraw/zinc/65/79/83/1053657983.db2.gz PMUKZNYNYWAPIT-CRAIPNDOSA-N 0 3 333.435 4.224 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c1[O-] ZINC000765674509 1053838103 /nfs/dbraw/zinc/83/81/03/1053838103.db2.gz DJDNDBWHNLIMHX-KRWDZBQOSA-N 0 3 340.250 4.005 20 10 EICDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2ncsc2c1 ZINC000776806788 1053908201 /nfs/dbraw/zinc/90/82/01/1053908201.db2.gz BZWRVTMEAWERNB-LBPRGKRZSA-N 0 3 329.444 4.352 20 10 EICDHN COc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)ccc1SC ZINC000122464574 1053973103 /nfs/dbraw/zinc/97/31/03/1053973103.db2.gz OCNHSUKZPPZVTE-ZDUSSCGKSA-N 0 3 348.487 4.473 20 10 EICDHN COc1ccc2c(c1)[C@H](NCc1ccc(N(C)C)cc1C)CCCO2 ZINC000122666533 1054015430 /nfs/dbraw/zinc/01/54/30/1054015430.db2.gz FTNIWNRPLICYHT-HXUWFJFHSA-N 0 3 340.467 4.073 20 10 EICDHN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1Cl ZINC000775830640 1054093776 /nfs/dbraw/zinc/09/37/76/1054093776.db2.gz LLDAAJFZGFIGPE-CQSZACIVSA-N 0 3 345.874 4.004 20 10 EICDHN Cc1ccc([C@@H](C)NCc2nc(-c3ccncc3)cs2)c(O)c1C ZINC000872122175 1054400679 /nfs/dbraw/zinc/40/06/79/1054400679.db2.gz UCIFDNAWOWBOKZ-CQSZACIVSA-N 0 3 339.464 4.378 20 10 EICDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)nc1 ZINC000775970535 1054417741 /nfs/dbraw/zinc/41/77/41/1054417741.db2.gz ALBLPAYLNXIZFO-UHFFFAOYSA-N 0 3 326.440 4.131 20 10 EICDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)nc1 ZINC000775970535 1054417747 /nfs/dbraw/zinc/41/77/47/1054417747.db2.gz ALBLPAYLNXIZFO-UHFFFAOYSA-N 0 3 326.440 4.131 20 10 EICDHN CCOCc1cc(CN[C@@H](C)c2cccc(OC)c2)ccc1OC ZINC001199581548 1054428428 /nfs/dbraw/zinc/42/84/28/1054428428.db2.gz GVNJHWCGFMTBCB-HNNXBMFYSA-N 0 3 329.440 4.091 20 10 EICDHN CCOc1ccc(C[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)c([O-])c1 ZINC000858259296 1054449242 /nfs/dbraw/zinc/44/92/42/1054449242.db2.gz XTDCBAHIJJVRPQ-IYARVYRRSA-N 0 3 335.488 4.254 20 10 EICDHN COCCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCCC1 ZINC000776014823 1054449190 /nfs/dbraw/zinc/44/91/90/1054449190.db2.gz QYHXIWABZRKVSV-UHFFFAOYSA-N 0 3 341.879 4.131 20 10 EICDHN COc1ccc(CNC2(c3ccccc3C)CC2)cc1Cn1cccn1 ZINC000873133420 1054490445 /nfs/dbraw/zinc/49/04/45/1054490445.db2.gz HWGATBFSFQWQLX-UHFFFAOYSA-N 0 3 347.462 4.027 20 10 EICDHN Cc1ccc(O)c(CN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000282175624 1054490764 /nfs/dbraw/zinc/49/07/64/1054490764.db2.gz ZAMTZGVCIDUECA-OAHLLOKOSA-N 0 3 348.240 4.077 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)c([O-])c1 ZINC000873186479 1054508161 /nfs/dbraw/zinc/50/81/61/1054508161.db2.gz OQLHMLXCPWPQIU-NSHDSACASA-N 0 3 340.345 4.056 20 10 EICDHN C[C@@H]1CCCCN1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020553190 1054714994 /nfs/dbraw/zinc/71/49/94/1054714994.db2.gz LIIBCHMQMJVUNW-GFCCVEGCSA-N 0 3 331.287 4.053 20 10 EICDHN C[C@@H]1CCCC[N@@H+]1CCCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000020553190 1054715007 /nfs/dbraw/zinc/71/50/07/1054715007.db2.gz LIIBCHMQMJVUNW-GFCCVEGCSA-N 0 3 331.287 4.053 20 10 EICDHN C[C@@H]1CCCC[N@H+]1CCCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000020553190 1054715020 /nfs/dbraw/zinc/71/50/20/1054715020.db2.gz LIIBCHMQMJVUNW-GFCCVEGCSA-N 0 3 331.287 4.053 20 10 EICDHN CN(C)Cc1cccc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001201403373 1054776461 /nfs/dbraw/zinc/77/64/61/1054776461.db2.gz OUEKIXQQYUPSNK-UHFFFAOYSA-N 0 3 331.419 4.118 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000186199842 1054890697 /nfs/dbraw/zinc/89/06/97/1054890697.db2.gz MKRIUGKSKPPENU-CYFNAFFESA-N 0 3 346.421 4.075 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(CO)c1 ZINC000776264530 1055102430 /nfs/dbraw/zinc/10/24/30/1055102430.db2.gz JLJBYSVOLHSXSF-JOCHJYFZSA-N 0 3 347.458 4.348 20 10 EICDHN Cc1c(C[NH2+][C@@H](C)c2ccccc2[O-])sc2nc(C)nc(C)c12 ZINC000877757071 1055114820 /nfs/dbraw/zinc/11/48/20/1055114820.db2.gz FAMDUBKXSLKIHL-NSHDSACASA-N 0 3 327.453 4.173 20 10 EICDHN Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742377700 1058602049 /nfs/dbraw/zinc/60/20/49/1058602049.db2.gz PWIUTBBHKZNLHX-HNNXBMFYSA-N 0 3 349.478 4.130 20 10 EICDHN Cc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766401598 1060330766 /nfs/dbraw/zinc/33/07/66/1060330766.db2.gz SVEVOCAFTOYRQM-XMSQKQJNSA-N 0 3 338.495 4.370 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2ccsc2C(F)(F)F)c1 ZINC000529568550 1032460575 /nfs/dbraw/zinc/46/05/75/1032460575.db2.gz BNDZREMBTXIUJI-VIFPVBQESA-N 0 3 331.359 4.332 20 10 EICDHN COc1cc([C@@H](C)[NH2+]Cc2ccccc2[O-])ccc1OCC(C)C ZINC000237255368 1032853148 /nfs/dbraw/zinc/85/31/48/1032853148.db2.gz DRMOXTOGBQINKL-OAHLLOKOSA-N 0 3 329.440 4.286 20 10 EICDHN CC[C@@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1[O-] ZINC000154926023 1020114949 /nfs/dbraw/zinc/11/49/49/1020114949.db2.gz WVXFZNYVHJGDKT-HXUWFJFHSA-N 0 3 335.451 4.436 20 10 EICDHN Cc1ccc([C@H](C)NCc2nc3cc(Cl)ccc3n2C)c(O)c1C ZINC000275322073 1020418211 /nfs/dbraw/zinc/41/82/11/1020418211.db2.gz LFDRVDLQBDYIQP-ZDUSSCGKSA-N 0 3 343.858 4.400 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccccc1[O-] ZINC000155273790 1020428768 /nfs/dbraw/zinc/42/87/68/1020428768.db2.gz HALLMNRPWZSPIW-LJQANCHMSA-N 0 3 338.451 4.150 20 10 EICDHN C[C@@H](c1ccccc1)[N@H+](CCCn1ccnc1)Cc1ccccc1[O-] ZINC000179647626 1022363715 /nfs/dbraw/zinc/36/37/15/1022363715.db2.gz TZLMQSASIPRUAV-SFHVURJKSA-N 0 3 335.451 4.242 20 10 EICDHN C[C@@H](c1ccccc1)[N@@H+](CCCn1ccnc1)Cc1ccccc1[O-] ZINC000179647626 1022363730 /nfs/dbraw/zinc/36/37/30/1022363730.db2.gz TZLMQSASIPRUAV-SFHVURJKSA-N 0 3 335.451 4.242 20 10 EICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)c1 ZINC000185126620 1023009455 /nfs/dbraw/zinc/00/94/55/1023009455.db2.gz CHSCMHQSRIRWKU-GOSISDBHSA-N 0 3 339.479 4.408 20 10 EICDHN CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CCO2 ZINC000186694857 1023156727 /nfs/dbraw/zinc/15/67/27/1023156727.db2.gz INHUOLCGRHDUHJ-PXAZEXFGSA-N 0 3 331.387 4.104 20 10 EICDHN CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000186698960 1023156907 /nfs/dbraw/zinc/15/69/07/1023156907.db2.gz FFTOARCTLBNDRO-QRWLVFNGSA-N 0 3 340.467 4.326 20 10 EICDHN CN(C)c1ccc(CNCc2ccc(C(F)F)c(F)c2)cc1F ZINC000892737681 1023356252 /nfs/dbraw/zinc/35/62/52/1023356252.db2.gz IIQNNKVCYNFYOX-UHFFFAOYSA-N 0 3 326.337 4.258 20 10 EICDHN CCOCCOc1cc(C)ccc1C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000156309132 1023458334 /nfs/dbraw/zinc/45/83/34/1023458334.db2.gz QOWISUUABBQXDR-IBGZPJMESA-N 0 3 343.467 4.357 20 10 EICDHN C[C@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992633 1023497570 /nfs/dbraw/zinc/49/75/70/1023497570.db2.gz IAMQMNPBVICZFM-KKSFZXQISA-N 0 3 342.458 4.094 20 10 EICDHN Oc1cccc(Cl)c1CNc1cccc(CN2CCSCC2)c1 ZINC000125263282 1024214579 /nfs/dbraw/zinc/21/45/79/1024214579.db2.gz CQOARSGLRMFIFW-UHFFFAOYSA-N 0 3 348.899 4.207 20 10 EICDHN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000279490427 1026456135 /nfs/dbraw/zinc/45/61/35/1026456135.db2.gz LQEOMWCOCUMHJG-SNVBAGLBSA-N 0 3 340.301 4.170 20 10 EICDHN Oc1ccccc1CN(CCN1CCc2ccccc21)Cc1ccco1 ZINC001167984676 1026701684 /nfs/dbraw/zinc/70/16/84/1026701684.db2.gz VRXLULDLGXHXDP-UHFFFAOYSA-N 0 3 348.446 4.050 20 10 EICDHN C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000112536873 1026726884 /nfs/dbraw/zinc/72/68/84/1026726884.db2.gz PUQHHWBCLJXGDE-GJZGRUSLSA-N 0 3 346.421 4.213 20 10 EICDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000112536875 1026727854 /nfs/dbraw/zinc/72/78/54/1026727854.db2.gz PUQHHWBCLJXGDE-LSDHHAIUSA-N 0 3 346.421 4.213 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2sccc2Br)c1 ZINC000147959186 1027537311 /nfs/dbraw/zinc/53/73/11/1027537311.db2.gz YYNDFKZAXFJWCF-VIFPVBQESA-N 0 3 342.258 4.076 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccccc1[O-] ZINC000281207407 1028441985 /nfs/dbraw/zinc/44/19/85/1028441985.db2.gz SJTJQEFCMJGASB-FZMZJTMJSA-N 0 3 335.245 4.352 20 10 EICDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000281290060 1028508033 /nfs/dbraw/zinc/50/80/33/1028508033.db2.gz YAIVSKRAVCCCOE-NEPJUHHUSA-N 0 3 335.245 4.270 20 10 EICDHN Cc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)ccc1Br ZINC000840766564 1029166314 /nfs/dbraw/zinc/16/63/14/1029166314.db2.gz LJDJCUJBNMGMMF-OAHLLOKOSA-N 0 3 332.241 4.240 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1cc2ccccc2[nH]c1=O ZINC000475202504 1029431718 /nfs/dbraw/zinc/43/17/18/1029431718.db2.gz JXUVVFGFGCVCTH-UHFFFAOYSA-N 0 3 331.419 4.030 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1cnn(-c2ccc(F)cc2)c1 ZINC000475206800 1029439480 /nfs/dbraw/zinc/43/94/80/1029439480.db2.gz OKRAMYWTTWIBIM-UHFFFAOYSA-N 0 3 348.425 4.101 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCNC12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000530213522 1030225052 /nfs/dbraw/zinc/22/50/52/1030225052.db2.gz ADDYXVCPOLDJOZ-STQMWFEESA-N 0 3 329.271 4.024 20 10 EICDHN Cc1cc(C)c(NC(=O)CCC[N@@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000268933932 1030456728 /nfs/dbraw/zinc/45/67/28/1030456728.db2.gz ZQZFDOVKZQYPMK-UHFFFAOYSA-N 0 3 340.467 4.168 20 10 EICDHN Cc1cc(C)c(NC(=O)CCC[N@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000268933932 1030456743 /nfs/dbraw/zinc/45/67/43/1030456743.db2.gz ZQZFDOVKZQYPMK-UHFFFAOYSA-N 0 3 340.467 4.168 20 10 EICDHN CC[C@@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(C)cc1[O-] ZINC000528042781 1031057134 /nfs/dbraw/zinc/05/71/34/1031057134.db2.gz ISGQOMOWAKRSIO-YLJYHZDGSA-N 0 3 326.440 4.296 20 10 EICDHN C[C@H]([NH2+]Cc1cnn(-c2cccc(Cl)c2)c1)c1ccccc1[O-] ZINC000359990987 1031905052 /nfs/dbraw/zinc/90/50/52/1031905052.db2.gz CWVCIAHFYCDGLY-ZDUSSCGKSA-N 0 3 327.815 4.082 20 10 EICDHN CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000687630411 1033810899 /nfs/dbraw/zinc/81/08/99/1033810899.db2.gz BFBUTQZDEJSNCP-UHFFFAOYSA-N 0 3 346.402 4.168 20 10 EICDHN COc1cc(C)cc(CN[C@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000894206011 1034718990 /nfs/dbraw/zinc/71/89/90/1034718990.db2.gz BNPMPMFPDADXEF-SFHVURJKSA-N 0 3 339.439 4.072 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@]2(C)CCCc3ccccc32)c1[O-] ZINC000761207592 1036039579 /nfs/dbraw/zinc/03/95/79/1036039579.db2.gz QICKXIIEQAKCGI-LJQANCHMSA-N 0 3 331.843 4.396 20 10 EICDHN COc1cccc([C@H]2CN(Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000166110392 1037065471 /nfs/dbraw/zinc/06/54/71/1037065471.db2.gz VIYPCEKOKIVBRU-JOCHJYFZSA-N 0 3 349.430 4.128 20 10 EICDHN COc1cccc([C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CCO2)c1 ZINC000166110392 1037065492 /nfs/dbraw/zinc/06/54/92/1037065492.db2.gz VIYPCEKOKIVBRU-JOCHJYFZSA-N 0 3 349.430 4.128 20 10 EICDHN COc1cccc([C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CCO2)c1 ZINC000166110392 1037065510 /nfs/dbraw/zinc/06/55/10/1037065510.db2.gz VIYPCEKOKIVBRU-JOCHJYFZSA-N 0 3 349.430 4.128 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2cncs2)c1[O-] ZINC000903312208 1041012704 /nfs/dbraw/zinc/01/27/04/1041012704.db2.gz UHSOBJRMRYGPEO-VHSXEESVSA-N 0 3 341.274 4.331 20 10 EICDHN Cc1cc(Br)c([O-])c(CNc2ccc(C(C)(C)[NH3+])cc2)c1 ZINC000904470364 1041496628 /nfs/dbraw/zinc/49/66/28/1041496628.db2.gz ISTFDIXPCNPJSF-UHFFFAOYSA-N 0 3 349.272 4.269 20 10 EICDHN COc1nc(C)cc(C)c1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000727471463 1043223038 /nfs/dbraw/zinc/22/30/38/1043223038.db2.gz BCSCQMAGKFQYGR-UHFFFAOYSA-N 0 3 348.446 4.369 20 10 EICDHN COc1nc(C)cc(C)c1CNCc1cc(-c2ccccc2)ccc1O ZINC000727471463 1043223044 /nfs/dbraw/zinc/22/30/44/1043223044.db2.gz BCSCQMAGKFQYGR-UHFFFAOYSA-N 0 3 348.446 4.369 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCOc3cc(OC)ccc32)cc1 ZINC000766188534 1043389589 /nfs/dbraw/zinc/38/95/89/1043389589.db2.gz RLNPTSPVNPSMFY-FOIQADDNSA-N 0 3 340.467 4.326 20 10 EICDHN CCN(CC)c1ccc(CNCC2=Cc3ccccc3OC2)cc1F ZINC000731360505 1043739664 /nfs/dbraw/zinc/73/96/64/1043739664.db2.gz HEHFGASGTZERQI-UHFFFAOYSA-N 0 3 340.442 4.238 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2ccc3ccc(Cl)cc3n2)c1 ZINC001168711800 1044149256 /nfs/dbraw/zinc/14/92/56/1044149256.db2.gz GGGVCEVRJPDXAR-LBPRGKRZSA-N 0 3 342.826 4.453 20 10 EICDHN COc1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)n1 ZINC000733613222 1044269166 /nfs/dbraw/zinc/26/91/66/1044269166.db2.gz FNRRWMLCFQETMD-UHFFFAOYSA-N 0 3 326.440 4.131 20 10 EICDHN COc1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)n1 ZINC000733613222 1044269178 /nfs/dbraw/zinc/26/91/78/1044269178.db2.gz FNRRWMLCFQETMD-UHFFFAOYSA-N 0 3 326.440 4.131 20 10 EICDHN C[C@H]([NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccccc1[O-] ZINC000783524590 1044807099 /nfs/dbraw/zinc/80/70/99/1044807099.db2.gz PBXFDJAGKFBZPR-YJBOKZPZSA-N 0 3 345.446 4.057 20 10 EICDHN CCn1cc(CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cn1 ZINC000735675996 1044853364 /nfs/dbraw/zinc/85/33/64/1044853364.db2.gz CNLOMLVIEUYLHX-UHFFFAOYSA-N 0 3 343.515 4.493 20 10 EICDHN CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](CC)c1ccccc1[O-])CCO2 ZINC000186692436 1045132733 /nfs/dbraw/zinc/13/27/33/1045132733.db2.gz OBIAJPXJCFLTGX-MSOLQXFVSA-N 0 3 327.424 4.355 20 10 EICDHN CC[C@@H](N[C@H]1CCOc2cc(OC)ccc21)c1ccc(N(C)C)cc1 ZINC000766184930 1045259506 /nfs/dbraw/zinc/25/95/06/1045259506.db2.gz AGDFWKJABQBDGG-UXHICEINSA-N 0 3 340.467 4.326 20 10 EICDHN CCOc1ccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2OC)cc1 ZINC000768199112 1045740917 /nfs/dbraw/zinc/74/09/17/1045740917.db2.gz AMGWDHKBURHQSF-GOSISDBHSA-N 0 3 327.424 4.137 20 10 EICDHN CCOc1ccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2OC)cc1 ZINC000768199112 1045740920 /nfs/dbraw/zinc/74/09/20/1045740920.db2.gz AMGWDHKBURHQSF-GOSISDBHSA-N 0 3 327.424 4.137 20 10 EICDHN CCOc1ccc(CN2CCSC[C@H]2c2ccccc2)c(O)c1 ZINC000768249654 1045762597 /nfs/dbraw/zinc/76/25/97/1045762597.db2.gz YEBHHZYKYMWAGL-SFHVURJKSA-N 0 3 329.465 4.081 20 10 EICDHN CCOc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)c([O-])c1 ZINC000768249654 1045762629 /nfs/dbraw/zinc/76/26/29/1045762629.db2.gz YEBHHZYKYMWAGL-SFHVURJKSA-N 0 3 329.465 4.081 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c([O-])c1 ZINC000768249654 1045762609 /nfs/dbraw/zinc/76/26/09/1045762609.db2.gz YEBHHZYKYMWAGL-SFHVURJKSA-N 0 3 329.465 4.081 20 10 EICDHN CCCCOc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1OC ZINC000768872115 1045849624 /nfs/dbraw/zinc/84/96/24/1045849624.db2.gz DCBXSOCBVJNUKN-UHFFFAOYSA-N 0 3 329.440 4.212 20 10 EICDHN CCCCOc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1OC ZINC000768872115 1045849627 /nfs/dbraw/zinc/84/96/27/1045849627.db2.gz DCBXSOCBVJNUKN-UHFFFAOYSA-N 0 3 329.440 4.212 20 10 EICDHN CCOc1ccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000769426895 1045957873 /nfs/dbraw/zinc/95/78/73/1045957873.db2.gz JZOHHESKESAJLY-LJQANCHMSA-N 0 3 329.465 4.081 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000769426895 1045957852 /nfs/dbraw/zinc/95/78/52/1045957852.db2.gz JZOHHESKESAJLY-LJQANCHMSA-N 0 3 329.465 4.081 20 10 EICDHN CCc1nc2c(s1)[C@H](N(C)Cc1ccc(N(C)C)cc1)CCC2 ZINC000769515442 1046007821 /nfs/dbraw/zinc/00/78/21/1046007821.db2.gz SRIMYAUGNFZUFF-QGZVFWFLSA-N 0 3 329.513 4.281 20 10 EICDHN C[C@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310992626 1046195400 /nfs/dbraw/zinc/19/54/00/1046195400.db2.gz IAMQMNPBVICZFM-HRAATJIYSA-N 0 3 342.458 4.094 20 10 EICDHN COc1ccc(CNCc2ccc(-c3ccc(F)cc3C)o2)c(O)c1 ZINC000793386073 1046229594 /nfs/dbraw/zinc/22/95/94/1046229594.db2.gz IPTPXQBLROTJLZ-UHFFFAOYSA-N 0 3 341.382 4.398 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)c([O-])c1 ZINC000793386073 1046229605 /nfs/dbraw/zinc/22/96/05/1046229605.db2.gz IPTPXQBLROTJLZ-UHFFFAOYSA-N 0 3 341.382 4.398 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)c([O-])c1 ZINC000793389024 1046231728 /nfs/dbraw/zinc/23/17/28/1046231728.db2.gz SUHMHWLFLMHRJP-UHFFFAOYSA-N 0 3 325.380 4.005 20 10 EICDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000786156270 1046813103 /nfs/dbraw/zinc/81/31/03/1046813103.db2.gz BDVDENSQKRJOMQ-UHFFFAOYSA-N 0 3 325.330 4.018 20 10 EICDHN COc1ccccc1OCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000917487395 1046919632 /nfs/dbraw/zinc/91/96/32/1046919632.db2.gz ZUBUQAUJEYWMAE-UHFFFAOYSA-N 0 3 337.419 4.065 20 10 EICDHN COc1ccccc1OCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000917487395 1046919655 /nfs/dbraw/zinc/91/96/55/1046919655.db2.gz ZUBUQAUJEYWMAE-UHFFFAOYSA-N 0 3 337.419 4.065 20 10 EICDHN CCCN1CC[C@H](C[NH2+][C@@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133004 1047126387 /nfs/dbraw/zinc/12/63/87/1047126387.db2.gz FDWOAKMTYPMYTK-WBMJQRKESA-N 0 3 345.314 4.472 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000788528958 1047228097 /nfs/dbraw/zinc/22/80/97/1047228097.db2.gz KWBJRCBFSMCXPZ-UHFFFAOYSA-N 0 3 337.463 4.092 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]CCCc2ccc3c(c2)OCCO3)c([O-])c1 ZINC000788670129 1047268975 /nfs/dbraw/zinc/26/89/75/1047268975.db2.gz RUWZOAZVFDJNDQ-INIZCTEOSA-N 0 3 341.451 4.064 20 10 EICDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](O)Cc1ccccc1 ZINC000746762052 1047290644 /nfs/dbraw/zinc/29/06/44/1047290644.db2.gz UJNMUDNTJLJSBZ-GAJHUEQPSA-N 0 3 347.458 4.141 20 10 EICDHN CCn1ccc(CN(C)Cc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000790450136 1047591005 /nfs/dbraw/zinc/59/10/05/1047591005.db2.gz FHWMOQDNKJXUJP-UHFFFAOYSA-N 0 3 330.472 4.152 20 10 EICDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825045540 1048023733 /nfs/dbraw/zinc/02/37/33/1048023733.db2.gz GGBWUPHSWHXQOM-YMTOWFKASA-N 0 3 337.341 4.156 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1[O-] ZINC000808677095 1048048082 /nfs/dbraw/zinc/04/80/82/1048048082.db2.gz PDINJBMPNIIBPU-CYBMUJFWSA-N 0 3 334.847 4.387 20 10 EICDHN COCCOc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808676976 1048048345 /nfs/dbraw/zinc/04/83/45/1048048345.db2.gz UVILHGLIDIGQRR-CQSZACIVSA-N 0 3 349.858 4.230 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1[O-] ZINC000808677096 1048048673 /nfs/dbraw/zinc/04/86/73/1048048673.db2.gz PDINJBMPNIIBPU-ZDUSSCGKSA-N 0 3 334.847 4.387 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c1[O-] ZINC000808707376 1048053048 /nfs/dbraw/zinc/05/30/48/1048053048.db2.gz NJILKYAJSZFFQW-MEBBXXQBSA-N 0 3 341.785 4.016 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1[O-] ZINC000808706114 1048053184 /nfs/dbraw/zinc/05/31/84/1048053184.db2.gz DCYXEJMHEKYZHA-ZDUSSCGKSA-N 0 3 347.842 4.366 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](c2ccnn2C)C(C)C)c1[O-] ZINC000808715962 1048065183 /nfs/dbraw/zinc/06/51/83/1048065183.db2.gz PBNYAOZEANQHDD-BBRMVZONSA-N 0 3 335.879 4.178 20 10 EICDHN Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808719528 1048067141 /nfs/dbraw/zinc/06/71/41/1048067141.db2.gz VERPWFDRTVPUCG-IQUTYRLHSA-N 0 3 333.859 4.435 20 10 EICDHN COc1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1C ZINC000825312434 1048074176 /nfs/dbraw/zinc/07/41/76/1048074176.db2.gz SSZSMESTYACZPQ-GOSISDBHSA-N 0 3 331.481 4.059 20 10 EICDHN Cc1sccc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000815115761 1048330912 /nfs/dbraw/zinc/33/09/12/1048330912.db2.gz MOEDXYXUFHACBE-KBPBESRZSA-N 0 3 348.487 4.099 20 10 EICDHN CCN(CC)c1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000809655853 1048456616 /nfs/dbraw/zinc/45/66/16/1048456616.db2.gz RPSUQZLIRKVNAY-OAQYLSRUSA-N 0 3 340.511 4.382 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccccc1 ZINC000815553554 1048505922 /nfs/dbraw/zinc/50/59/22/1048505922.db2.gz CRPAAOBFVWPDLZ-GMAHTHKFSA-N 0 3 347.458 4.389 20 10 EICDHN COc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1O ZINC000809739972 1048512631 /nfs/dbraw/zinc/51/26/31/1048512631.db2.gz JCIXPBUATNLLPJ-UHFFFAOYSA-N 0 3 335.403 4.063 20 10 EICDHN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000809766453 1048523417 /nfs/dbraw/zinc/52/34/17/1048523417.db2.gz XVWIGUOKNGYTKU-INIZCTEOSA-N 0 3 349.272 4.441 20 10 EICDHN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000809766453 1048523428 /nfs/dbraw/zinc/52/34/28/1048523428.db2.gz XVWIGUOKNGYTKU-INIZCTEOSA-N 0 3 349.272 4.441 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(F)cn1 ZINC000815589175 1048525156 /nfs/dbraw/zinc/52/51/56/1048525156.db2.gz KLYOLXFESHENMC-HXUWFJFHSA-N 0 3 336.410 4.390 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1cccc(F)n1 ZINC000815598376 1048529350 /nfs/dbraw/zinc/52/93/50/1048529350.db2.gz TZRDOKHVEWMECC-IBGZPJMESA-N 0 3 336.410 4.390 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@H](CC)c2cccc(OC)c2)c([O-])c1 ZINC000809784292 1048532748 /nfs/dbraw/zinc/53/27/48/1048532748.db2.gz SRQQYDFOCDQITO-LJQANCHMSA-N 0 3 329.440 4.383 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@H](CC)c2cccc(OC)c2)c([O-])c1 ZINC000809784292 1048532760 /nfs/dbraw/zinc/53/27/60/1048532760.db2.gz SRQQYDFOCDQITO-LJQANCHMSA-N 0 3 329.440 4.383 20 10 EICDHN CC(C)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815572236 1048534276 /nfs/dbraw/zinc/53/42/76/1048534276.db2.gz XVVJVFJRVUGURV-QUCCMNQESA-N 0 3 327.468 4.063 20 10 EICDHN CCOC(C)(C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815618046 1048544938 /nfs/dbraw/zinc/54/49/38/1048544938.db2.gz CGMXVNLCNRNVSM-LJQANCHMSA-N 0 3 327.468 4.471 20 10 EICDHN CO[C@](C)(C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815627768 1048553242 /nfs/dbraw/zinc/55/32/42/1048553242.db2.gz JAKRGGDTVKXFIH-IFMALSPDSA-N 0 3 339.479 4.471 20 10 EICDHN CC[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(C)cc1[O-] ZINC000815637188 1048565794 /nfs/dbraw/zinc/56/57/94/1048565794.db2.gz PZBDTBOTACWZQY-HNNXBMFYSA-N 0 3 338.373 4.398 20 10 EICDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815643077 1048567821 /nfs/dbraw/zinc/56/78/21/1048567821.db2.gz SMMUZKQZNGDKJI-CHWSQXEVSA-N 0 3 343.377 4.268 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c([O-])c1 ZINC000815647221 1048569605 /nfs/dbraw/zinc/56/96/05/1048569605.db2.gz CHRPIXDSMUURBJ-GJZGRUSLSA-N 0 3 339.414 4.437 20 10 EICDHN CN(C)c1ccc(CN(C)Cc2ccccc2N2CCCCC2)cc1 ZINC000920257377 1048607223 /nfs/dbraw/zinc/60/72/23/1048607223.db2.gz RIYFORUBADIXSR-UHFFFAOYSA-N 0 3 337.511 4.375 20 10 EICDHN O=C(OCc1ccccc1)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000810168966 1048652136 /nfs/dbraw/zinc/65/21/36/1048652136.db2.gz PLSLKQHDVLTKRN-UHFFFAOYSA-N 0 3 347.414 4.039 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000810247413 1048728294 /nfs/dbraw/zinc/72/82/94/1048728294.db2.gz WCIOWCYNRGUXRU-ADLFWFRXSA-N 0 3 345.870 4.171 20 10 EICDHN CC[C@H](N[C@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846058316 1048796098 /nfs/dbraw/zinc/79/60/98/1048796098.db2.gz PWBSZVYPWFVMMY-RBUKOAKNSA-N 0 3 335.451 4.150 20 10 EICDHN CCCN(Cc1conc1Cc1ccccc1)Cc1ccccc1O ZINC000816499165 1048820091 /nfs/dbraw/zinc/82/00/91/1048820091.db2.gz HLTUPMQEFLFLET-UHFFFAOYSA-N 0 3 336.435 4.383 20 10 EICDHN COC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000846164948 1048826816 /nfs/dbraw/zinc/82/68/16/1048826816.db2.gz JJGTUBATYHZVRD-LRDDRELGSA-N 0 3 335.831 4.093 20 10 EICDHN COc1cccc([C@H](C)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846204373 1048832506 /nfs/dbraw/zinc/83/25/06/1048832506.db2.gz ZSOGLYXLTOEMQE-LRDDRELGSA-N 0 3 345.414 4.493 20 10 EICDHN Cc1ccc(O)c([C@@H](C)N[C@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846207925 1048832774 /nfs/dbraw/zinc/83/27/74/1048832774.db2.gz VGLMVADQEVWSOR-VQIMIIECSA-N 0 3 335.451 4.069 20 10 EICDHN CCc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000846208751 1048834705 /nfs/dbraw/zinc/83/47/05/1048834705.db2.gz KQEWSPFCVGJUIP-MRXNPFEDSA-N 0 3 342.458 4.076 20 10 EICDHN C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000846185490 1048837043 /nfs/dbraw/zinc/83/70/43/1048837043.db2.gz AGVDQIDHAMLXIE-QKKBWIMNSA-N 0 3 329.484 4.127 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2cc(C(C)C)ccc2OC)c1 ZINC000846845465 1048921357 /nfs/dbraw/zinc/92/13/57/1048921357.db2.gz WPRGWLHKCQBADZ-AWEZNQCLSA-N 0 3 329.440 4.384 20 10 EICDHN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CCO1 ZINC000817585782 1049015747 /nfs/dbraw/zinc/01/57/47/1049015747.db2.gz IAAKJRJCTANFHC-KWCYVHTRSA-N 0 3 342.277 4.071 20 10 EICDHN CC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000772999554 1049511146 /nfs/dbraw/zinc/51/11/46/1049511146.db2.gz MOWKOFUPWPBHHW-GOSISDBHSA-N 0 3 327.428 4.210 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000179585514 1049680156 /nfs/dbraw/zinc/68/01/56/1049680156.db2.gz MYSXWHWBFAHBPF-WMZOPIPTSA-N 0 3 331.481 4.322 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000179585514 1049680162 /nfs/dbraw/zinc/68/01/62/1049680162.db2.gz MYSXWHWBFAHBPF-WMZOPIPTSA-N 0 3 331.481 4.322 20 10 EICDHN C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000813885926 1049832704 /nfs/dbraw/zinc/83/27/04/1049832704.db2.gz ZADUIAUOYBFWCV-DRZCJDIDSA-N 0 3 335.806 4.056 20 10 EICDHN COC(=O)CC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000180670481 1049928076 /nfs/dbraw/zinc/92/80/76/1049928076.db2.gz LYLJWQOJMKUNNS-OXQOHEQNSA-N 0 3 340.467 4.098 20 10 EICDHN COc1ccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001203629202 1050181198 /nfs/dbraw/zinc/18/11/98/1050181198.db2.gz SVCSMSXFQQHUAK-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN COc1ccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001203629202 1050181205 /nfs/dbraw/zinc/18/12/05/1050181205.db2.gz SVCSMSXFQQHUAK-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN [NH3+][C@H]1CCc2c1cccc2NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168526254 1050413777 /nfs/dbraw/zinc/41/37/77/1050413777.db2.gz UREJTWCVHRYRQW-INIZCTEOSA-N 0 3 339.826 4.152 20 10 EICDHN CCCN(CCC)c1ccc(CN[C@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC001178369661 1050446674 /nfs/dbraw/zinc/44/66/74/1050446674.db2.gz MWRLOQHFAVUXJD-SJORKVTESA-N 0 3 346.437 4.104 20 10 EICDHN CCN(C)c1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000773811483 1050667111 /nfs/dbraw/zinc/66/71/11/1050667111.db2.gz NTSSPXGIUVEIGT-HNNXBMFYSA-N 0 3 327.428 4.210 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2ccccc2OCC(C)C)c1 ZINC000182464317 1050688082 /nfs/dbraw/zinc/68/80/82/1050688082.db2.gz SAXCYDZCSSLYJM-HNNXBMFYSA-N 0 3 329.440 4.286 20 10 EICDHN COc1cc(C)c(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c([O-])c1 ZINC001180133348 1050884342 /nfs/dbraw/zinc/88/43/42/1050884342.db2.gz UVEZCLPALLBRMM-OAQYLSRUSA-N 0 3 325.452 4.263 20 10 EICDHN COc1cc(C)c(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c([O-])c1 ZINC001180133348 1050884347 /nfs/dbraw/zinc/88/43/47/1050884347.db2.gz UVEZCLPALLBRMM-OAQYLSRUSA-N 0 3 325.452 4.263 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001180348887 1050962016 /nfs/dbraw/zinc/96/20/16/1050962016.db2.gz FJGHHOBGFROLPT-CRAIPNDOSA-N 0 3 344.886 4.046 20 10 EICDHN Cc1ccc([C@H](C)C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC001180429505 1050985895 /nfs/dbraw/zinc/98/58/95/1050985895.db2.gz BOGQKDNCHNBDFC-WIYYLYMNSA-N 0 3 339.479 4.485 20 10 EICDHN Cc1ccc([C@H](C)C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC001180429505 1050985910 /nfs/dbraw/zinc/98/59/10/1050985910.db2.gz BOGQKDNCHNBDFC-WIYYLYMNSA-N 0 3 339.479 4.485 20 10 EICDHN CN(C)c1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000775366435 1051138064 /nfs/dbraw/zinc/13/80/64/1051138064.db2.gz SYUXUBVWEMKWOA-SFHVURJKSA-N 0 3 330.859 4.410 20 10 EICDHN CN(C)c1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000775366434 1051138512 /nfs/dbraw/zinc/13/85/12/1051138512.db2.gz SYUXUBVWEMKWOA-GOSISDBHSA-N 0 3 330.859 4.410 20 10 EICDHN CC(C)Oc1ccnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC001190436254 1051185366 /nfs/dbraw/zinc/18/53/66/1051185366.db2.gz CBNDNNIFFWVHTJ-UHFFFAOYSA-N 0 3 341.499 4.345 20 10 EICDHN C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2[O-])CCN(Cc2ccccc2)C1 ZINC001181316340 1051206958 /nfs/dbraw/zinc/20/69/58/1051206958.db2.gz YPTMZOYXMPPUDF-FQEVSTJZSA-N 0 3 344.886 4.047 20 10 EICDHN COc1cccc(CN[C@@H](C)c2ccc(-c3ccccc3)cn2)c1O ZINC001181485023 1051244956 /nfs/dbraw/zinc/24/49/56/1051244956.db2.gz HHPKZENRXZZCGL-HNNXBMFYSA-N 0 3 334.419 4.314 20 10 EICDHN CCN1CC[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000773431212 1051258543 /nfs/dbraw/zinc/25/85/43/1051258543.db2.gz MHKKZFPQDHOPAM-IEBWSBKVSA-N 0 3 348.849 4.110 20 10 EICDHN Cc1ccc(CN[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c(O)c1 ZINC001181763253 1051299939 /nfs/dbraw/zinc/29/99/39/1051299939.db2.gz GPBMSFTUZPAMIG-KRWDZBQOSA-N 0 3 340.250 4.005 20 10 EICDHN CC[C@H]([NH2+]Cc1csc(Br)c1)c1ccccc1[O-] ZINC000271754369 1051552927 /nfs/dbraw/zinc/55/29/27/1051552927.db2.gz YKDUEQMVXSVHPB-LBPRGKRZSA-N 0 3 326.259 4.457 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1)c1ccccc1[O-] ZINC001175419120 1051581591 /nfs/dbraw/zinc/58/15/91/1051581591.db2.gz RZJWHNLIDMJOJE-CABCVRRESA-N 0 3 334.419 4.223 20 10 EICDHN C[C@@H](NCc1ccc2c(n1)CCCC2)c1cc2c(cc1O)CCCC2 ZINC000774446873 1051594425 /nfs/dbraw/zinc/59/44/25/1051594425.db2.gz UWYDZURXQWFDCU-OAHLLOKOSA-N 0 3 336.479 4.396 20 10 EICDHN CC[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccccc1[O-] ZINC000775496243 1051599970 /nfs/dbraw/zinc/59/99/70/1051599970.db2.gz IGCFTXMFQUDJPP-DFQSSKMNSA-N 0 3 329.415 4.492 20 10 EICDHN Cc1cc(C)cc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774478218 1051608485 /nfs/dbraw/zinc/60/84/85/1051608485.db2.gz BQSPUAWRFZRWIU-SJORKVTESA-N 0 3 339.483 4.047 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccccc1[O-] ZINC000775507942 1051647353 /nfs/dbraw/zinc/64/73/53/1051647353.db2.gz PTIOUWBTUBZLDK-APWZRJJASA-N 0 3 328.431 4.241 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)[C@@H](OC)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000775526328 1051712777 /nfs/dbraw/zinc/71/27/77/1051712777.db2.gz QSBMUJODRTXUDX-ADLFWFRXSA-N 0 3 329.440 4.218 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c1[O-] ZINC000763643838 1051750609 /nfs/dbraw/zinc/75/06/09/1051750609.db2.gz WWCXMZORCRDXEM-UHFFFAOYSA-N 0 3 341.879 4.128 20 10 EICDHN CSCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001184188600 1051960875 /nfs/dbraw/zinc/96/08/75/1051960875.db2.gz NDAOCRJJRIYFNE-UHFFFAOYSA-N 0 3 331.481 4.202 20 10 EICDHN C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cccc(Cl)c2[O-])CC1 ZINC001184265624 1051981410 /nfs/dbraw/zinc/98/14/10/1051981410.db2.gz UCLIDKRZJGETFW-KSSFIOAISA-N 0 3 336.907 4.178 20 10 EICDHN CCCC[N@H+](CCOc1ccccc1OC)Cc1ccccc1[O-] ZINC001193837912 1051997332 /nfs/dbraw/zinc/99/73/32/1051997332.db2.gz AWWAMTPHTFWSNG-UHFFFAOYSA-N 0 3 329.440 4.082 20 10 EICDHN CCCC[N@@H+](CCOc1ccccc1OC)Cc1ccccc1[O-] ZINC001193837912 1051997348 /nfs/dbraw/zinc/99/73/48/1051997348.db2.gz AWWAMTPHTFWSNG-UHFFFAOYSA-N 0 3 329.440 4.082 20 10 EICDHN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000184836106 1052246409 /nfs/dbraw/zinc/24/64/09/1052246409.db2.gz QGPIJMWJNWWJGA-CJNGLKHVSA-N 0 3 334.460 4.081 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cc(F)ccc1[O-] ZINC000185047809 1052378099 /nfs/dbraw/zinc/37/80/99/1052378099.db2.gz FQLVEHWSVJEVOE-OAHLLOKOSA-N 0 3 343.446 4.013 20 10 EICDHN Cc1cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862764 1053129326 /nfs/dbraw/zinc/12/93/26/1053129326.db2.gz DYUZZHVSFNAZIM-NHCUHLMSSA-N 0 3 342.527 4.375 20 10 EICDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000850430953 1053206002 /nfs/dbraw/zinc/20/60/02/1053206002.db2.gz ROOYJNVXQZXHRB-CQSZACIVSA-N 0 3 328.431 4.068 20 10 EICDHN COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])c1cccc(OC)c1 ZINC000850513008 1053268638 /nfs/dbraw/zinc/26/86/38/1053268638.db2.gz CFBLQAVSAGRIRJ-SCLBCKFNSA-N 0 3 349.858 4.401 20 10 EICDHN COC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])c1cccc(OC)c1 ZINC000850512960 1053269699 /nfs/dbraw/zinc/26/96/99/1053269699.db2.gz CFBLQAVSAGRIRJ-ACJLOTCBSA-N 0 3 349.858 4.401 20 10 EICDHN Cc1ccc([C@@H](C)NCc2cc(F)ccc2OC(F)F)c(O)c1 ZINC000850570281 1053325893 /nfs/dbraw/zinc/32/58/93/1053325893.db2.gz SZZFJKYZMOICIC-LLVKDONJSA-N 0 3 325.330 4.292 20 10 EICDHN C[C@H](O)[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850584524 1053334702 /nfs/dbraw/zinc/33/47/02/1053334702.db2.gz QWHBIDRJBZAIST-SPEDKVCISA-N 0 3 338.495 4.450 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccc(C)cc1[O-] ZINC000794795022 1053379862 /nfs/dbraw/zinc/37/98/62/1053379862.db2.gz OAWGBVCHZKOGAS-RTBURBONSA-N 0 3 330.447 4.183 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794794798 1053380303 /nfs/dbraw/zinc/38/03/03/1053380303.db2.gz GFPGWZGWBRPVTB-RTBURBONSA-N 0 3 330.447 4.183 20 10 EICDHN CC[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(C)cc1[O-] ZINC000794813181 1053419925 /nfs/dbraw/zinc/41/99/25/1053419925.db2.gz NYVRCSBHRWCMKM-INIZCTEOSA-N 0 3 325.408 4.159 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C)cc1[O-] ZINC000794816986 1053429544 /nfs/dbraw/zinc/42/95/44/1053429544.db2.gz SGXCOFMXQBDNIF-OALUTQOASA-N 0 3 344.499 4.065 20 10 EICDHN Cc1cccc(CN2CCCC[C@@H]2c2nc3ccccc3n2C)c1O ZINC000775664120 1053436446 /nfs/dbraw/zinc/43/64/46/1053436446.db2.gz SHGCOOUVAAHHHO-LJQANCHMSA-N 0 3 335.451 4.315 20 10 EICDHN COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000794822821 1053438215 /nfs/dbraw/zinc/43/82/15/1053438215.db2.gz CNRRDABQXYXPKL-IEBWSBKVSA-N 0 3 327.468 4.389 20 10 EICDHN COc1ccc(N(C)CCN(C)Cc2ccccc2OC(C)C)cc1 ZINC001195789971 1053487268 /nfs/dbraw/zinc/48/72/68/1053487268.db2.gz ORFSGBIRIQOZSD-UHFFFAOYSA-N 0 3 342.483 4.051 20 10 EICDHN CC[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000765384023 1053529412 /nfs/dbraw/zinc/52/94/12/1053529412.db2.gz BPYGLQDSWXGLOC-GOSISDBHSA-N 0 3 345.874 4.085 20 10 EICDHN COc1ccccc1C1([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000842902076 1053627781 /nfs/dbraw/zinc/62/77/81/1053627781.db2.gz LVWLHBMUAWQVIB-DOMZBBRYSA-N 0 3 327.399 4.367 20 10 EICDHN COc1ccccc1C1(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000842902076 1053627785 /nfs/dbraw/zinc/62/77/85/1053627785.db2.gz LVWLHBMUAWQVIB-DOMZBBRYSA-N 0 3 327.399 4.367 20 10 EICDHN CCN(C)c1ccc([C@@H](C)NCc2cnccc2C(F)(F)F)cc1 ZINC000853243172 1053660241 /nfs/dbraw/zinc/66/02/41/1053660241.db2.gz YMPINNHYTLUHCR-CYBMUJFWSA-N 0 3 337.389 4.407 20 10 EICDHN FC(F)(F)Oc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000765607341 1053798324 /nfs/dbraw/zinc/79/83/24/1053798324.db2.gz ATNYIBZCEFZEQU-QGZVFWFLSA-N 0 3 349.352 4.297 20 10 EICDHN COc1cc([C@@H](C)NCc2ccc3c(c2)CCO3)ccc1SC ZINC000765607895 1053803366 /nfs/dbraw/zinc/80/33/66/1053803366.db2.gz FIXXQXODYSAUMY-CYBMUJFWSA-N 0 3 329.465 4.203 20 10 EICDHN C[C@@H](N[C@H]1CCCn2nccc21)c1ccc(N2CCCCC2)c(F)c1 ZINC000866633364 1053812649 /nfs/dbraw/zinc/81/26/49/1053812649.db2.gz UFQUTADXFICDCB-QAPCUYQASA-N 0 3 342.462 4.198 20 10 EICDHN COc1ccc(F)c(CNCc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000856804731 1054112691 /nfs/dbraw/zinc/11/26/91/1054112691.db2.gz QGGVNJRBWCNCPR-UHFFFAOYSA-N 0 3 347.430 4.136 20 10 EICDHN CC[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000186182708 1054377407 /nfs/dbraw/zinc/37/74/07/1054377407.db2.gz RHXVGCBTUPCRIZ-WBVHZDCISA-N 0 3 348.487 4.080 20 10 EICDHN CC[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000186182745 1054378813 /nfs/dbraw/zinc/37/88/13/1054378813.db2.gz RHXVGCBTUPCRIZ-RDJZCZTQSA-N 0 3 348.487 4.080 20 10 EICDHN Cc1cc(N(C)C)ccc1CNCc1ccsc1C(F)(F)F ZINC000858138588 1054423504 /nfs/dbraw/zinc/42/35/04/1054423504.db2.gz FRHPHQSAMHKFKL-UHFFFAOYSA-N 0 3 328.403 4.431 20 10 EICDHN C[C@@H](c1ccccc1)[N@H+](CCOCC1CC1)Cc1ccccc1[O-] ZINC000776008525 1054443109 /nfs/dbraw/zinc/44/31/09/1054443109.db2.gz HIOQKKXUNSUGJN-KRWDZBQOSA-N 0 3 325.452 4.382 20 10 EICDHN C[C@@H](c1ccccc1)[N@@H+](CCOCC1CC1)Cc1ccccc1[O-] ZINC000776008525 1054443115 /nfs/dbraw/zinc/44/31/15/1054443115.db2.gz HIOQKKXUNSUGJN-KRWDZBQOSA-N 0 3 325.452 4.382 20 10 EICDHN CCCOc1ccc(CNCc2cccc(NC(C)=O)c2)cc1C ZINC000873011973 1054476603 /nfs/dbraw/zinc/47/66/03/1054476603.db2.gz MFEDMHZOCWZKBX-UHFFFAOYSA-N 0 3 326.440 4.032 20 10 EICDHN C[C@@H]([NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccccc1[O-] ZINC000858574439 1054521759 /nfs/dbraw/zinc/52/17/59/1054521759.db2.gz KRVWZXIGDAFGFJ-BZNIZROVSA-N 0 3 340.250 4.473 20 10 EICDHN COc1ccc(O)c(CN[C@@H](COc2ccccc2)c2ccccc2)c1 ZINC000776174005 1054803900 /nfs/dbraw/zinc/80/39/00/1054803900.db2.gz WFQMQXZGZYJJKP-NRFANRHFSA-N 0 3 349.430 4.311 20 10 EICDHN COc1cc(CN2CCC[C@H]2c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825903435 1054957933 /nfs/dbraw/zinc/95/79/33/1054957933.db2.gz HHJKUTQFUDIDKT-IBGZPJMESA-N 0 3 340.467 4.430 20 10 EICDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)c([O-])c1 ZINC000876969710 1054991533 /nfs/dbraw/zinc/99/15/33/1054991533.db2.gz XXTQHZZFBFABGE-CYBMUJFWSA-N 0 3 339.357 4.493 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@H](c2cccnc2)C2CC2)c1[O-] ZINC000776253010 1055057844 /nfs/dbraw/zinc/05/78/44/1055057844.db2.gz IATIRIGORPDQOX-INIZCTEOSA-N 0 3 347.256 4.099 20 10 EICDHN Cc1ncc([C@H](C)[NH2+]Cc2cc(Br)cc(C)c2[O-])s1 ZINC000877684955 1055107764 /nfs/dbraw/zinc/10/77/64/1055107764.db2.gz FTGUJZYEZBXVAX-VIFPVBQESA-N 0 3 341.274 4.079 20 10 EICDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1OCC(C)C ZINC000877756529 1055113915 /nfs/dbraw/zinc/11/39/15/1055113915.db2.gz PNVWBYWUBPVWLS-HNNXBMFYSA-N 0 3 329.440 4.286 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1[O-] ZINC000877758077 1055116716 /nfs/dbraw/zinc/11/67/16/1055116716.db2.gz HXDGGQOUAOSQCE-PKOBYXMFSA-N 0 3 336.479 4.240 20 10 EICDHN CCc1cccc(CNCc2cc(C(F)(F)F)cc(Cl)n2)c1O ZINC000877806039 1055122000 /nfs/dbraw/zinc/12/20/00/1055122000.db2.gz CRPXYENBHYUXBY-UHFFFAOYSA-N 0 3 344.764 4.312 20 10 EICDHN Cc1ccc([C@H](C)Nc2cccc(CN3CCSCC3)c2)c(O)c1 ZINC000186343034 1055371180 /nfs/dbraw/zinc/37/11/80/1055371180.db2.gz UJGBNFCHOKPBTH-INIZCTEOSA-N 0 3 342.508 4.423 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168664431 1056509551 /nfs/dbraw/zinc/50/95/51/1056509551.db2.gz GTBUIIRVUKFWMR-NQIIRXRSSA-N 0 3 341.451 4.143 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168664431 1056509561 /nfs/dbraw/zinc/50/95/61/1056509561.db2.gz GTBUIIRVUKFWMR-NQIIRXRSSA-N 0 3 341.451 4.143 20 10 EICDHN C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cc(F)ccc1[O-] ZINC000186501723 1056744354 /nfs/dbraw/zinc/74/43/54/1056744354.db2.gz GMDBLEGNLGNEHM-HNNXBMFYSA-N 0 3 328.431 4.372 20 10 EICDHN CCN(C)c1ccc(CN2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000741753111 1058360081 /nfs/dbraw/zinc/36/00/81/1058360081.db2.gz NMEKSVDBTAWFMN-UHFFFAOYSA-N 0 3 336.479 4.238 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC4(CCCCC4)C3)c2c1 ZINC000742166393 1058526340 /nfs/dbraw/zinc/52/63/40/1058526340.db2.gz UZQKQYFUKWMBHE-UHFFFAOYSA-N 0 3 341.451 4.089 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC4(CCCCC4)C3)c2c1 ZINC000742166393 1058526344 /nfs/dbraw/zinc/52/63/44/1058526344.db2.gz UZQKQYFUKWMBHE-UHFFFAOYSA-N 0 3 341.451 4.089 20 10 EICDHN CCC[N@H+](CCOc1ccc(SC)cc1)Cc1ccccc1[O-] ZINC000743870698 1059188098 /nfs/dbraw/zinc/18/80/98/1059188098.db2.gz ZXUDKQCNZOOUIP-UHFFFAOYSA-N 0 3 331.481 4.405 20 10 EICDHN CCC[N@@H+](CCOc1ccc(SC)cc1)Cc1ccccc1[O-] ZINC000743870698 1059188118 /nfs/dbraw/zinc/18/81/18/1059188118.db2.gz ZXUDKQCNZOOUIP-UHFFFAOYSA-N 0 3 331.481 4.405 20 10 EICDHN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000746048886 1059985828 /nfs/dbraw/zinc/98/58/28/1059985828.db2.gz LHMLHUJNZIYTOF-IXDOHACOSA-N 0 3 342.458 4.290 20 10 EICDHN CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000799730290 1019209135 /nfs/dbraw/zinc/20/91/35/1019209135.db2.gz ZBZTZPMRBDPABN-UGFHNGPFSA-N 0 3 342.277 4.071 20 10 EICDHN CCOCCOCc1cccc(C[NH2+][C@@H](CC)c2ccccc2[O-])c1 ZINC000274870299 1019816846 /nfs/dbraw/zinc/81/68/46/1019816846.db2.gz FLFCOXDRXDMUQT-FQEVSTJZSA-N 0 3 343.467 4.186 20 10 EICDHN Cc1noc(C)c1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000274925006 1019864271 /nfs/dbraw/zinc/86/42/71/1019864271.db2.gz JWIMHHSBVJOIBN-HXUWFJFHSA-N 0 3 336.435 4.461 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1[O-] ZINC000155039668 1020200103 /nfs/dbraw/zinc/20/01/03/1020200103.db2.gz HREFDLPGZMKKEC-LJQANCHMSA-N 0 3 340.467 4.115 20 10 EICDHN Cc1ccc(O)c([C@@H](C)NCc2nc3cc(Cl)ccc3n2C)c1 ZINC000275154292 1020217953 /nfs/dbraw/zinc/21/79/53/1020217953.db2.gz XZZUKUBZLJQRLQ-GFCCVEGCSA-N 0 3 329.831 4.092 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccccc1[O-] ZINC000155170117 1020309328 /nfs/dbraw/zinc/30/93/28/1020309328.db2.gz LTGMBRORHUFCMT-CZUORRHYSA-N 0 3 345.439 4.220 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1[O-] ZINC000155334512 1020500121 /nfs/dbraw/zinc/50/01/21/1020500121.db2.gz CJUBYAATFYJYQA-HNAYVOBHSA-N 0 3 338.451 4.321 20 10 EICDHN C[C@H]([NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000310647551 1021385198 /nfs/dbraw/zinc/38/51/98/1021385198.db2.gz NWXWZZGPMYMXER-YWZLYKJASA-N 0 3 348.487 4.080 20 10 EICDHN C[C@@H]([NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000310647524 1021386691 /nfs/dbraw/zinc/38/66/91/1021386691.db2.gz NWXWZZGPMYMXER-FOIQADDNSA-N 0 3 348.487 4.080 20 10 EICDHN Cc1nn(C)cc1[C@H](C)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000178140933 1022024964 /nfs/dbraw/zinc/02/49/64/1022024964.db2.gz BGUMLMXRZLXVKT-INIZCTEOSA-N 0 3 340.515 4.348 20 10 EICDHN Cc1oc(-c2ccccc2)nc1CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000363858344 1022864006 /nfs/dbraw/zinc/86/40/06/1022864006.db2.gz DNZVSEPXKMYMGD-CYBMUJFWSA-N 0 3 340.398 4.388 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c([O-])c1 ZINC000185157227 1023014280 /nfs/dbraw/zinc/01/42/80/1023014280.db2.gz YTONRFSRJHZMPU-HZPDHXFCSA-N 0 3 338.451 4.239 20 10 EICDHN Fc1cc(CN2CCC[C@H]2c2cccs2)ccc1N1CCOCC1 ZINC000162698233 1023705398 /nfs/dbraw/zinc/70/53/98/1023705398.db2.gz SVEBZLKVMDMVOV-SFHVURJKSA-N 0 3 346.471 4.061 20 10 EICDHN C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1cc(F)ccc1[O-] ZINC000377745249 1023735624 /nfs/dbraw/zinc/73/56/24/1023735624.db2.gz NBHSRGHGTIOSLL-XOBRGWDASA-N 0 3 341.426 4.276 20 10 EICDHN CCCN(Cc1cnc(CC(F)(F)F)s1)Cc1ccccc1O ZINC000891853924 1024363495 /nfs/dbraw/zinc/36/34/95/1024363495.db2.gz UGEXLPGMOSIHTL-UHFFFAOYSA-N 0 3 344.402 4.366 20 10 EICDHN CC[N@H+](Cc1cc(OC)cc(C(F)(F)F)c1)Cc1ccccc1[O-] ZINC001143519844 1024718617 /nfs/dbraw/zinc/71/86/17/1024718617.db2.gz VBWZSXWVCXWKKQ-UHFFFAOYSA-N 0 3 339.357 4.442 20 10 EICDHN CC[N@@H+](Cc1cc(OC)cc(C(F)(F)F)c1)Cc1ccccc1[O-] ZINC001143519844 1024718627 /nfs/dbraw/zinc/71/86/27/1024718627.db2.gz VBWZSXWVCXWKKQ-UHFFFAOYSA-N 0 3 339.357 4.442 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccccc1[O-] ZINC000156834053 1025667137 /nfs/dbraw/zinc/66/71/37/1025667137.db2.gz HCJBCHLSPRMISP-RBUKOAKNSA-N 0 3 327.468 4.235 20 10 EICDHN CC[C@H]([NH2+][C@@H]1C[C@H](C(=O)OC)c2ccccc21)c1ccc(C)cc1[O-] ZINC000375663287 1025981030 /nfs/dbraw/zinc/98/10/30/1025981030.db2.gz JKDPKUKXLDFVSS-GBESFXJTSA-N 0 3 339.435 4.143 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000382461037 1027668032 /nfs/dbraw/zinc/66/80/32/1027668032.db2.gz WAWXMNRBQUQROZ-XHSDSOJGSA-N 0 3 348.487 4.045 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccccc1[O-] ZINC000281207421 1028441733 /nfs/dbraw/zinc/44/17/33/1028441733.db2.gz SJTJQEFCMJGASB-SMDDNHRTSA-N 0 3 335.245 4.352 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cc(F)ccc1[O-] ZINC000185742757 1030222464 /nfs/dbraw/zinc/22/24/64/1030222464.db2.gz JFXRJWFKLFBXJZ-UONOGXRCSA-N 0 3 325.387 4.129 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000179585933 1031223182 /nfs/dbraw/zinc/22/31/82/1031223182.db2.gz CQIOHZDULKNOIJ-FQEVSTJZSA-N 0 3 339.460 4.190 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000179585933 1031223202 /nfs/dbraw/zinc/22/32/02/1031223202.db2.gz CQIOHZDULKNOIJ-FQEVSTJZSA-N 0 3 339.460 4.190 20 10 EICDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H]1C ZINC001168243460 1031427430 /nfs/dbraw/zinc/42/74/30/1031427430.db2.gz DZVUYNSMNUHCGL-JENIJYKNSA-N 0 3 325.452 4.380 20 10 EICDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H]1C ZINC001168243460 1031427440 /nfs/dbraw/zinc/42/74/40/1031427440.db2.gz DZVUYNSMNUHCGL-JENIJYKNSA-N 0 3 325.452 4.380 20 10 EICDHN COc1cc(C[NH2+]Cc2ccccc2[O-])ccc1OCc1ccccc1 ZINC000237122701 1034965432 /nfs/dbraw/zinc/96/54/32/1034965432.db2.gz DIJRXUWJFNSJAZ-UHFFFAOYSA-N 0 3 349.430 4.270 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c1[O-] ZINC000761203388 1036040821 /nfs/dbraw/zinc/04/08/21/1036040821.db2.gz RCVUPGNHSZSREB-CYBMUJFWSA-N 0 3 347.842 4.052 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c1[O-] ZINC000761203388 1036040843 /nfs/dbraw/zinc/04/08/43/1036040843.db2.gz RCVUPGNHSZSREB-CYBMUJFWSA-N 0 3 347.842 4.052 20 10 EICDHN COc1ccccc1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000163600062 1037453038 /nfs/dbraw/zinc/45/30/38/1037453038.db2.gz XDPAHBJCEJFMPF-INIZCTEOSA-N 0 3 342.508 4.099 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000273468783 1037473169 /nfs/dbraw/zinc/47/31/69/1037473169.db2.gz ROQQTGKKWAJHNM-GZRFBZBPSA-N 0 3 329.415 4.411 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccncc3)cs2)c([O-])c1 ZINC000273534493 1037497907 /nfs/dbraw/zinc/49/79/07/1037497907.db2.gz XATIANDAJYYQMP-AWEZNQCLSA-N 0 3 339.464 4.112 20 10 EICDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000174374857 1038923157 /nfs/dbraw/zinc/92/31/57/1038923157.db2.gz AUCYHHNCHUSEHY-OAHLLOKOSA-N 0 3 344.430 4.079 20 10 EICDHN Cc1nn(C(C)C)cc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000281542358 1039861495 /nfs/dbraw/zinc/86/14/95/1039861495.db2.gz ZJHJACZXTXCYDA-UHFFFAOYSA-N 0 3 340.515 4.299 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(OCCCOC)cc1)c1ccc(C)cc1[O-] ZINC000287545722 1041463050 /nfs/dbraw/zinc/46/30/50/1041463050.db2.gz POEKQULLQJMURQ-FQEVSTJZSA-N 0 3 343.467 4.357 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H]2CCc3c2cccc3O)cc1F ZINC000152194021 1042711404 /nfs/dbraw/zinc/71/14/04/1042711404.db2.gz TUWNCEYEZJWMAC-GOSISDBHSA-N 0 3 328.431 4.155 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000766030027 1043065446 /nfs/dbraw/zinc/06/54/46/1043065446.db2.gz SNFRPMGPFJEJQH-HNNXBMFYSA-N 0 3 329.463 4.117 20 10 EICDHN CN(C)c1ccc(CNCc2ccccc2OCc2cccnc2)cc1 ZINC000030545861 1043205374 /nfs/dbraw/zinc/20/53/74/1043205374.db2.gz PMSHBJFMPACDFS-UHFFFAOYSA-N 0 3 347.462 4.016 20 10 EICDHN COc1cccc(CNC2(c3cccc(C(F)(F)F)c3)CC2)c1O ZINC000728063265 1043347096 /nfs/dbraw/zinc/34/70/96/1043347096.db2.gz DDENEAQKZSPSFX-UHFFFAOYSA-N 0 3 337.341 4.199 20 10 EICDHN CCOc1cccc(CNCc2ccc(N(CC)CC)c(F)c2)c1 ZINC000731361174 1043739929 /nfs/dbraw/zinc/73/99/29/1043739929.db2.gz YHJMYFLEAQZHPH-UHFFFAOYSA-N 0 3 330.447 4.360 20 10 EICDHN CCOCc1cc(CNC2(c3ccc(OC)cc3)CC2)ccc1OC ZINC000731678901 1043816670 /nfs/dbraw/zinc/81/66/70/1043816670.db2.gz RMZLNDMVNVWGPY-UHFFFAOYSA-N 0 3 341.451 4.019 20 10 EICDHN COC(=O)c1occc1CN(Cc1ccccc1O)C1CCCCC1 ZINC000733199438 1044126864 /nfs/dbraw/zinc/12/68/64/1044126864.db2.gz XZDRIMUXIQVFRE-UHFFFAOYSA-N 0 3 343.423 4.107 20 10 EICDHN Cc1ccc2nc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)cn2c1 ZINC000733613949 1044268070 /nfs/dbraw/zinc/26/80/70/1044268070.db2.gz RWWCQXAWACJHCW-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN Cc1ccc2nc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)cn2c1 ZINC000733613949 1044268087 /nfs/dbraw/zinc/26/80/87/1044268087.db2.gz RWWCQXAWACJHCW-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN Cc1ccsc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000914581886 1044536765 /nfs/dbraw/zinc/53/67/65/1044536765.db2.gz DPHORCFHKWLSHO-UHFFFAOYSA-N 0 3 345.468 4.245 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000734847609 1044700911 /nfs/dbraw/zinc/70/09/11/1044700911.db2.gz QGGSLWNVCRRQEP-FQEVSTJZSA-N 0 3 337.394 4.022 20 10 EICDHN OC[C@H](NCc1cc(-c2ccccc2)ccc1O)c1cccc(F)c1 ZINC000734847609 1044700922 /nfs/dbraw/zinc/70/09/22/1044700922.db2.gz QGGSLWNVCRRQEP-FQEVSTJZSA-N 0 3 337.394 4.022 20 10 EICDHN COc1ccc(-c2ccncc2)cc1CNCc1ccc(N(C)C)cc1 ZINC000187101526 1044964607 /nfs/dbraw/zinc/96/46/07/1044964607.db2.gz PNSUSMTXMJCURL-UHFFFAOYSA-N 0 3 347.462 4.113 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](CCO)c1ccccc1 ZINC000740898986 1045240733 /nfs/dbraw/zinc/24/07/33/1045240733.db2.gz KFHSWWIVLGKDNQ-NRFANRHFSA-N 0 3 347.458 4.315 20 10 EICDHN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000237359167 1045382108 /nfs/dbraw/zinc/38/21/08/1045382108.db2.gz QUMVSUQEVMMGNO-CABCVRRESA-N 0 3 325.456 4.123 20 10 EICDHN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000237523968 1045387770 /nfs/dbraw/zinc/38/77/70/1045387770.db2.gz QUMVSUQEVMMGNO-GJZGRUSLSA-N 0 3 325.456 4.123 20 10 EICDHN Fc1ccc2c(c1)[C@H](NCc1ccc(N3CCCC3)cc1)CCCO2 ZINC000193692910 1045442823 /nfs/dbraw/zinc/44/28/23/1045442823.db2.gz YNGYHHBOFLZARJ-HXUWFJFHSA-N 0 3 340.442 4.429 20 10 EICDHN COc1cccc([O-])c1C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000768223671 1045757301 /nfs/dbraw/zinc/75/73/01/1045757301.db2.gz NUPSGGIVLKCLLD-UHFFFAOYSA-N 0 3 336.435 4.262 20 10 EICDHN CC[NH+](CC)CC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768304475 1045783803 /nfs/dbraw/zinc/78/38/03/1045783803.db2.gz XGCZOULPUSMWPF-UHFFFAOYSA-N 0 3 345.314 4.253 20 10 EICDHN COc1cc(CNC2(c3nc(C)cs3)CCCC2)c(O)cc1C ZINC000768464597 1045811430 /nfs/dbraw/zinc/81/14/30/1045811430.db2.gz CPZZOQCPBGHJBG-UHFFFAOYSA-N 0 3 332.469 4.033 20 10 EICDHN COc1cccc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1[O-] ZINC000768779810 1045841457 /nfs/dbraw/zinc/84/14/57/1045841457.db2.gz WYMMXWPZUZWKOK-INIZCTEOSA-N 0 3 336.435 4.262 20 10 EICDHN COc1cccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1[O-] ZINC000768779810 1045841455 /nfs/dbraw/zinc/84/14/55/1045841455.db2.gz WYMMXWPZUZWKOK-INIZCTEOSA-N 0 3 336.435 4.262 20 10 EICDHN CCN(Cc1occc1C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000769142770 1045884450 /nfs/dbraw/zinc/88/44/50/1045884450.db2.gz ZNIRWHXMJCMTKW-UHFFFAOYSA-N 0 3 342.483 4.225 20 10 EICDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(N(C)C)c(F)c1)CCC2 ZINC000769404794 1045951684 /nfs/dbraw/zinc/95/16/84/1045951684.db2.gz QAMQYYHLRDTEHI-QGZVFWFLSA-N 0 3 333.476 4.166 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c([O-])c1 ZINC000769403916 1045953120 /nfs/dbraw/zinc/95/31/20/1045953120.db2.gz JUZGIMCGWMAIDQ-INIZCTEOSA-N 0 3 332.469 4.065 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c([O-])c1 ZINC000769403916 1045953128 /nfs/dbraw/zinc/95/31/28/1045953128.db2.gz JUZGIMCGWMAIDQ-INIZCTEOSA-N 0 3 332.469 4.065 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@@H]2CCCc3nc(CC)sc32)c([O-])c1 ZINC000769515436 1046007190 /nfs/dbraw/zinc/00/71/90/1046007190.db2.gz SLOXUNUDWCNSRU-MRXNPFEDSA-N 0 3 346.496 4.319 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3nc(CC)sc32)c([O-])c1 ZINC000769515436 1046007204 /nfs/dbraw/zinc/00/72/04/1046007204.db2.gz SLOXUNUDWCNSRU-MRXNPFEDSA-N 0 3 346.496 4.319 20 10 EICDHN CCOc1cccc(CN2CC[C@H](Oc3ccccc3Cl)C2)c1O ZINC000769532681 1046011027 /nfs/dbraw/zinc/01/10/27/1046011027.db2.gz JZUCXMYQNGXZEL-HNNXBMFYSA-N 0 3 347.842 4.098 20 10 EICDHN CCN(CC)c1ccc(CN[C@H](C)c2ccccc2N(C)C)cc1 ZINC000769683441 1046038265 /nfs/dbraw/zinc/03/82/65/1046038265.db2.gz DWWHZYDXLNUJHD-QGZVFWFLSA-N 0 3 325.500 4.450 20 10 EICDHN COc1cccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000792882266 1046089558 /nfs/dbraw/zinc/08/95/58/1046089558.db2.gz LEEVMXJTNMXRPP-UHFFFAOYSA-N 0 3 338.373 4.070 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000769929303 1046115029 /nfs/dbraw/zinc/11/50/29/1046115029.db2.gz YAHUENKEAHXPSL-WIYYLYMNSA-N 0 3 339.479 4.480 20 10 EICDHN Cc1cccc(-c2n[nH]cc2CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC000771934825 1046530073 /nfs/dbraw/zinc/53/00/73/1046530073.db2.gz ANFZGQGIMJYARV-UHFFFAOYSA-N 0 3 334.467 4.083 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2c1c(F)ccc2[O-] ZINC000785569179 1046721803 /nfs/dbraw/zinc/72/18/03/1046721803.db2.gz AZCLAXKKEWEORG-WKPIXPDZSA-N 0 3 331.362 4.332 20 10 EICDHN Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000786165934 1046814067 /nfs/dbraw/zinc/81/40/67/1046814067.db2.gz XIBRKTAVBPNHMA-QFIPXVFZSA-N 0 3 347.458 4.061 20 10 EICDHN CCCN(Cc1cccc(C)c1O)[C@H](C)C(=O)Nc1ccccc1C ZINC000787326223 1046993867 /nfs/dbraw/zinc/99/38/67/1046993867.db2.gz AQHTYEGPFNZPEJ-QGZVFWFLSA-N 0 3 340.467 4.248 20 10 EICDHN CCCN1CC[C@@H](C[NH2+][C@H](CC)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806133001 1047124445 /nfs/dbraw/zinc/12/44/45/1047124445.db2.gz FDWOAKMTYPMYTK-BLLLJJGKSA-N 0 3 345.314 4.472 20 10 EICDHN CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000806175970 1047162676 /nfs/dbraw/zinc/16/26/76/1047162676.db2.gz GVYLBVGGNAYUJQ-JXFKEZNVSA-N 0 3 342.483 4.133 20 10 EICDHN CC(C)(C)c1cnc(CNCCCSc2nccs2)s1 ZINC000790474823 1047593341 /nfs/dbraw/zinc/59/33/41/1047593341.db2.gz YIGWZMHNPCVNLJ-UHFFFAOYSA-N 0 3 327.544 4.169 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccccc1[O-] ZINC000154827899 1047668037 /nfs/dbraw/zinc/66/80/37/1047668037.db2.gz PLHAUOIAHIIIDW-IAGOWNOFSA-N 0 3 330.497 4.332 20 10 EICDHN Cc1cc(O)c(CN2CCC3(C2)Oc2ccccc2O3)cc1C(C)C ZINC000808237651 1047853203 /nfs/dbraw/zinc/85/32/03/1047853203.db2.gz ANNDXQAREKUOQW-UHFFFAOYSA-N 0 3 339.435 4.197 20 10 EICDHN Cc1cc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)ccn1 ZINC000824597705 1047891341 /nfs/dbraw/zinc/89/13/41/1047891341.db2.gz WVUFYIJAOKLNSI-UHFFFAOYSA-N 0 3 343.474 4.243 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1[O-] ZINC000808686047 1048039392 /nfs/dbraw/zinc/03/93/92/1048039392.db2.gz FQJYFESZYARXSO-CYBMUJFWSA-N 0 3 346.858 4.389 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1[O-] ZINC000808676578 1048046003 /nfs/dbraw/zinc/04/60/03/1048046003.db2.gz GGQZQIYEDWFWJW-AWEZNQCLSA-N 0 3 341.842 4.391 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H]2CCc3c2ccc(OC)c3F)cc1 ZINC000808677735 1048048106 /nfs/dbraw/zinc/04/81/06/1048048106.db2.gz FVTDDMHXFHVOKY-LJQANCHMSA-N 0 3 342.458 4.458 20 10 EICDHN COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808703864 1048050867 /nfs/dbraw/zinc/05/08/67/1048050867.db2.gz YPGHTUCPEAWZAV-SCLBCKFNSA-N 0 3 349.858 4.137 20 10 EICDHN Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706290 1048053746 /nfs/dbraw/zinc/05/37/46/1048053746.db2.gz GQRGSZPJMQSXLV-FZMZJTMJSA-N 0 3 325.861 4.108 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000808715400 1048064741 /nfs/dbraw/zinc/06/47/41/1048064741.db2.gz CTFRDQMDZHAWJJ-CJNGLKHVSA-N 0 3 347.890 4.340 20 10 EICDHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808700889 1048081018 /nfs/dbraw/zinc/08/10/18/1048081018.db2.gz MWJANXNSSDAPPZ-TXUQDUFDSA-N 0 3 343.920 4.084 20 10 EICDHN CCN(C)c1ccc(CN[C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000815120066 1048335031 /nfs/dbraw/zinc/33/50/31/1048335031.db2.gz NOULGHFKSLXONI-SFHVURJKSA-N 0 3 332.513 4.054 20 10 EICDHN C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809704179 1048488284 /nfs/dbraw/zinc/48/82/84/1048488284.db2.gz WMSDRLNCROIGNQ-LAUBAEHRSA-N 0 3 336.479 4.118 20 10 EICDHN C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809704179 1048488307 /nfs/dbraw/zinc/48/83/07/1048488307.db2.gz WMSDRLNCROIGNQ-LAUBAEHRSA-N 0 3 336.479 4.118 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000815553552 1048504797 /nfs/dbraw/zinc/50/47/97/1048504797.db2.gz CRPAAOBFVWPDLZ-FYYLOGMGSA-N 0 3 347.458 4.389 20 10 EICDHN COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3c(C)cc(C)cc3[O-])c2c1 ZINC000815579251 1048518744 /nfs/dbraw/zinc/51/87/44/1048518744.db2.gz IQJVBPOJWTZBFC-OAHLLOKOSA-N 0 3 338.451 4.392 20 10 EICDHN CO[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C(C)C ZINC000815585363 1048522434 /nfs/dbraw/zinc/52/24/34/1048522434.db2.gz FOXAODOHZSPUII-TZIWHRDSSA-N 0 3 327.468 4.327 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCN1C ZINC000815583955 1048522989 /nfs/dbraw/zinc/52/29/89/1048522989.db2.gz RTCLNYGZVXWRFH-QFUCXCTJSA-N 0 3 338.495 4.138 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCc1ccncc1 ZINC000815589593 1048527139 /nfs/dbraw/zinc/52/71/39/1048527139.db2.gz YAMQDVDNSCOUAP-OAQYLSRUSA-N 0 3 332.447 4.293 20 10 EICDHN Cc1cc(C[C@@H](C)[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])[nH]n1 ZINC000815596897 1048529952 /nfs/dbraw/zinc/52/99/52/1048529952.db2.gz HFKFPRRWAVUPTG-IERDGZPVSA-N 0 3 349.478 4.318 20 10 EICDHN Cc1cc(C[C@@H](C)[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])n[nH]1 ZINC000815596897 1048529961 /nfs/dbraw/zinc/52/99/61/1048529961.db2.gz HFKFPRRWAVUPTG-IERDGZPVSA-N 0 3 349.478 4.318 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000815597868 1048530303 /nfs/dbraw/zinc/53/03/03/1048530303.db2.gz IAEMDVLUJFQGIA-OXJNMPFZSA-N 0 3 325.452 4.173 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1ccc(SC)cc1)N(C)C)c1ccccc1[O-] ZINC000815660426 1048561168 /nfs/dbraw/zinc/56/11/68/1048561168.db2.gz ZARBVQJKIMXGNP-OALUTQOASA-N 0 3 344.524 4.458 20 10 EICDHN Cc1cc(N(C)C)ccc1CNCc1cc(O)cc(C(F)(F)F)c1 ZINC000810146188 1048656069 /nfs/dbraw/zinc/65/60/69/1048656069.db2.gz NGGGGINEGRKQPC-UHFFFAOYSA-N 0 3 338.373 4.075 20 10 EICDHN CC[C@@]1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])OCCc2ccccc21 ZINC000810242969 1048724894 /nfs/dbraw/zinc/72/48/94/1048724894.db2.gz JKZIZPNEZSPLKL-KKSFZXQISA-N 0 3 325.452 4.229 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000810247416 1048726413 /nfs/dbraw/zinc/72/64/13/1048726413.db2.gz WCIOWCYNRGUXRU-DCPHZVHLSA-N 0 3 345.870 4.171 20 10 EICDHN Cc1nn(-c2cccc(C)c2)cc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000845957081 1048778176 /nfs/dbraw/zinc/77/81/76/1048778176.db2.gz QFZJTEGVXIZVRB-KRWDZBQOSA-N 0 3 348.494 4.406 20 10 EICDHN CC[C@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1ccccc1O ZINC000846058315 1048796708 /nfs/dbraw/zinc/79/67/08/1048796708.db2.gz PWBSZVYPWFVMMY-OALUTQOASA-N 0 3 335.451 4.150 20 10 EICDHN CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])c2ccccc21 ZINC000846084202 1048810458 /nfs/dbraw/zinc/81/04/58/1048810458.db2.gz VOZNTPBBWXHNIX-ZWKOTPCHSA-N 0 3 339.435 4.052 20 10 EICDHN COc1cccc([C@@H](C)NCc2sccc2Br)c1O ZINC000846150021 1048823811 /nfs/dbraw/zinc/82/38/11/1048823811.db2.gz WJRSZUKYMSJHQM-SECBINFHSA-N 0 3 342.258 4.076 20 10 EICDHN COc1cccc([C@H](C)N[C@@H]2CCCOc3c(F)cccc32)c1O ZINC000846162898 1048827421 /nfs/dbraw/zinc/82/74/21/1048827421.db2.gz NOTPEVHREUQTHL-BLLLJJGKSA-N 0 3 331.387 4.104 20 10 EICDHN CC[C@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1ccc(C)cc1O ZINC000846206701 1048832574 /nfs/dbraw/zinc/83/25/74/1048832574.db2.gz GHSJPOMLHHLCQC-PMACEKPBSA-N 0 3 349.478 4.459 20 10 EICDHN COc1cccc([C@H](C)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000846145848 1048832729 /nfs/dbraw/zinc/83/27/29/1048832729.db2.gz QPFUJRAWQQNJMZ-SCLBCKFNSA-N 0 3 339.439 4.325 20 10 EICDHN CCc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000846208750 1048833856 /nfs/dbraw/zinc/83/38/56/1048833856.db2.gz KQEWSPFCVGJUIP-INIZCTEOSA-N 0 3 342.458 4.076 20 10 EICDHN CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000817415719 1048966409 /nfs/dbraw/zinc/96/64/09/1048966409.db2.gz XIKZKNBOJMHBSS-RBUKOAKNSA-N 0 3 341.451 4.018 20 10 EICDHN COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC001171288925 1049064278 /nfs/dbraw/zinc/06/42/78/1049064278.db2.gz NYUCBTGKGPXJEM-CHWSQXEVSA-N 0 3 331.843 4.262 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)c2c1c(F)ccc2[O-] ZINC000817968108 1049072778 /nfs/dbraw/zinc/07/27/78/1049072778.db2.gz PDCCCJVTRBPQAN-LQAWEQHXSA-N 0 3 326.415 4.329 20 10 EICDHN Cc1cc(N)cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000817982187 1049077663 /nfs/dbraw/zinc/07/76/63/1049077663.db2.gz ZKOSYGZLSAJVLO-GFCCVEGCSA-N 0 3 349.272 4.205 20 10 EICDHN C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985395 1049080052 /nfs/dbraw/zinc/08/00/52/1049080052.db2.gz JTPANQCURQXNOG-GHMZBOCLSA-N 0 3 329.271 4.024 20 10 EICDHN C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984818 1049080350 /nfs/dbraw/zinc/08/03/50/1049080350.db2.gz ANNMXHGZXNTRDA-QWRGUYRKSA-N 0 3 329.271 4.024 20 10 EICDHN COc1ccc(N2CC[C@H](CNCc3ccsc3Cl)C2)cc1 ZINC000818222939 1049113235 /nfs/dbraw/zinc/11/32/35/1049113235.db2.gz YRLQQTIBUCVKMA-CYBMUJFWSA-N 0 3 336.888 4.026 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1[O-] ZINC000811513450 1049126288 /nfs/dbraw/zinc/12/62/88/1049126288.db2.gz IILXPOUWFLPGPX-SJORKVTESA-N 0 3 347.842 4.064 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000812735369 1049554664 /nfs/dbraw/zinc/55/46/64/1049554664.db2.gz CISBSNUUCXOCIF-MAUKXSAKSA-N 0 3 328.431 4.099 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000179568808 1049677123 /nfs/dbraw/zinc/67/71/23/1049677123.db2.gz LCRBMZYOWFTGQW-UHFFFAOYSA-N 0 3 336.410 4.171 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000179568808 1049677134 /nfs/dbraw/zinc/67/71/34/1049677134.db2.gz LCRBMZYOWFTGQW-UHFFFAOYSA-N 0 3 336.410 4.171 20 10 EICDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001171966083 1049826425 /nfs/dbraw/zinc/82/64/25/1049826425.db2.gz NVMUZMRHGLAFDV-CYBMUJFWSA-N 0 3 335.369 4.400 20 10 EICDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001171966083 1049826427 /nfs/dbraw/zinc/82/64/27/1049826427.db2.gz NVMUZMRHGLAFDV-CYBMUJFWSA-N 0 3 335.369 4.400 20 10 EICDHN C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC001173084447 1050296399 /nfs/dbraw/zinc/29/63/99/1050296399.db2.gz BPXZQPBCJNWUIJ-CYBMUJFWSA-N 0 3 339.357 4.354 20 10 EICDHN C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC001173084447 1050296405 /nfs/dbraw/zinc/29/64/05/1050296405.db2.gz BPXZQPBCJNWUIJ-CYBMUJFWSA-N 0 3 339.357 4.354 20 10 EICDHN Cc1cc(C)c(C[NH2+]C2CCC(Oc3ccccc3)CC2)c([O-])c1 ZINC001173197286 1050342228 /nfs/dbraw/zinc/34/22/28/1050342228.db2.gz BXHRWRHIOLMFMS-UHFFFAOYSA-N 0 3 325.452 4.489 20 10 EICDHN Cc1c2ccccc2n(C)c1CN[C@]1(CO)CC[C@H](C)c2ccccc21 ZINC001179788746 1050777058 /nfs/dbraw/zinc/77/70/58/1050777058.db2.gz DOJUKMOJNSBEFK-HJPURHCSSA-N 0 3 348.490 4.361 20 10 EICDHN CCc1cccc(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC001180154800 1050900820 /nfs/dbraw/zinc/90/08/20/1050900820.db2.gz XQAVJOXADSLTKY-OXJNMPFZSA-N 0 3 325.452 4.225 20 10 EICDHN CCc1cnccc1[C@@H](C)NCc1ccc(N(CC)CC)c(F)c1 ZINC000773430318 1051260862 /nfs/dbraw/zinc/26/08/62/1051260862.db2.gz XUULWSDYYDFNKJ-OAHLLOKOSA-N 0 3 329.463 4.480 20 10 EICDHN C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])CN1CCCC1 ZINC000774133111 1051478032 /nfs/dbraw/zinc/47/80/32/1051478032.db2.gz WKIFMHNRVYTRSB-VXGBXAGGSA-N 0 3 331.287 4.082 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774188933 1051492925 /nfs/dbraw/zinc/49/29/25/1051492925.db2.gz KRUMNDCNQTVBNB-HXUWFJFHSA-N 0 3 339.439 4.136 20 10 EICDHN C[C@H](NCc1ccc2c(n1)CCCC2)c1cc2c(cc1O)CCCC2 ZINC000774446870 1051595126 /nfs/dbraw/zinc/59/51/26/1051595126.db2.gz UWYDZURXQWFDCU-HNNXBMFYSA-N 0 3 336.479 4.396 20 10 EICDHN CCCCn1cc(CN[C@@H](CC)c2ccc(N(C)C)cc2)c(C)n1 ZINC000774472251 1051605357 /nfs/dbraw/zinc/60/53/57/1051605357.db2.gz NDQUJPTYGSLZMD-FQEVSTJZSA-N 0 3 328.504 4.299 20 10 EICDHN Cc1ccc(C)c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484017 1051610283 /nfs/dbraw/zinc/61/02/83/1051610283.db2.gz RRVGLIVHBSCESX-IAGOWNOFSA-N 0 3 339.483 4.047 20 10 EICDHN CN(CCN(Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC001192012035 1051611794 /nfs/dbraw/zinc/61/17/94/1051611794.db2.gz FZBNKDSTBRIJDC-UHFFFAOYSA-N 0 3 336.435 4.124 20 10 EICDHN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774485407 1051613970 /nfs/dbraw/zinc/61/39/70/1051613970.db2.gz UXBYBGQHPMBMHL-SJORKVTESA-N 0 3 339.483 4.047 20 10 EICDHN CCOc1cc(CCC[NH2+][C@H](CC)c2ccccc2[O-])ccc1OC ZINC000775508764 1051639377 /nfs/dbraw/zinc/63/93/77/1051639377.db2.gz GEVNADHZZLZOOQ-GOSISDBHSA-N 0 3 343.467 4.473 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000775508381 1051641138 /nfs/dbraw/zinc/64/11/38/1051641138.db2.gz UJMVRRIDXBCFEJ-JXFKEZNVSA-N 0 3 340.467 4.111 20 10 EICDHN CC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1cccc(OC)c1OC ZINC001175522377 1051648687 /nfs/dbraw/zinc/64/86/87/1051648687.db2.gz GGPQVOCCEBZPEV-GOSISDBHSA-N 0 3 342.483 4.319 20 10 EICDHN CC[C@H]([NH2+]CCCc1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000775526253 1051712165 /nfs/dbraw/zinc/71/21/65/1051712165.db2.gz POSUDLOPNSASNF-SFHVURJKSA-N 0 3 329.440 4.083 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1ccccc1[O-] ZINC000775527649 1051721457 /nfs/dbraw/zinc/72/14/57/1051721457.db2.gz RVAGYKFNIBIHJE-ZBFHGGJFSA-N 0 3 340.250 4.473 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000774639951 1051854098 /nfs/dbraw/zinc/85/40/98/1051854098.db2.gz NRHPHIJRZYYYRE-CQSZACIVSA-N 0 3 331.412 4.053 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000774639951 1051854102 /nfs/dbraw/zinc/85/41/02/1051854102.db2.gz NRHPHIJRZYYYRE-CQSZACIVSA-N 0 3 331.412 4.053 20 10 EICDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775580489 1051885298 /nfs/dbraw/zinc/88/52/98/1051885298.db2.gz CHIOZNQTSOEEIH-GJZGRUSLSA-N 0 3 327.428 4.381 20 10 EICDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1[O-] ZINC000184581103 1052086431 /nfs/dbraw/zinc/08/64/31/1052086431.db2.gz ADVMPOHVCGHZMC-OPAMFIHVSA-N 0 3 333.431 4.443 20 10 EICDHN CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185045698 1052378361 /nfs/dbraw/zinc/37/83/61/1052378361.db2.gz ICPKBCKVQLCWGS-CYBMUJFWSA-N 0 3 330.403 4.121 20 10 EICDHN CCC[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cccnc1 ZINC000185062385 1052388816 /nfs/dbraw/zinc/38/88/16/1052388816.db2.gz KSRFZMOOOXAGFC-HXUWFJFHSA-N 0 3 341.524 4.266 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000185128940 1052449253 /nfs/dbraw/zinc/44/92/53/1052449253.db2.gz RCRLSYUOCSHIIH-JKSUJKDBSA-N 0 3 328.431 4.017 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c([O-])c1 ZINC000185318550 1052580866 /nfs/dbraw/zinc/58/08/66/1052580866.db2.gz XUIWMRNRCHZWJS-AWEZNQCLSA-N 0 3 330.497 4.319 20 10 EICDHN C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1cc(F)ccc1[O-] ZINC000185546843 1052636402 /nfs/dbraw/zinc/63/64/02/1052636402.db2.gz ZGCHANKRUBEJDZ-NJSLBKSFSA-N 0 3 348.487 4.327 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000185612216 1052657629 /nfs/dbraw/zinc/65/76/29/1052657629.db2.gz NHUNUIROTBCECC-KGLIPLIRSA-N 0 3 325.387 4.129 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([O-])c1 ZINC000185658728 1052666692 /nfs/dbraw/zinc/66/66/92/1052666692.db2.gz OMMRERIDZPWGKA-WSTZPKSXSA-N 0 3 338.495 4.404 20 10 EICDHN COc1cncc(CNCc2ccc(N(C)C3CCCCC3)cc2)c1 ZINC000850096022 1053071643 /nfs/dbraw/zinc/07/16/43/1053071643.db2.gz OLMCFRMBPMHWSP-UHFFFAOYSA-N 0 3 339.483 4.149 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)c2ccccn2)c1[O-] ZINC000850482221 1053251099 /nfs/dbraw/zinc/25/10/99/1053251099.db2.gz MVXDOESSUVPULJ-STQMWFEESA-N 0 3 349.272 4.312 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)c2ccccn2)c1[O-] ZINC000850482218 1053253528 /nfs/dbraw/zinc/25/35/28/1053253528.db2.gz MVXDOESSUVPULJ-OLZOCXBDSA-N 0 3 349.272 4.312 20 10 EICDHN COC[C@@H](N[C@H](C)c1ccc(C)c(C)c1O)c1cccc(OC)c1 ZINC000850513804 1053272454 /nfs/dbraw/zinc/27/24/54/1053272454.db2.gz JPVVBKNTSMBTCI-DNVCBOLYSA-N 0 3 329.440 4.056 20 10 EICDHN C[C@@H](NCc1c(C2CC2)cnn1C)c1ccc(N2CCCCC2)cc1 ZINC000850535011 1053298541 /nfs/dbraw/zinc/29/85/41/1053298541.db2.gz POLFXDCPHGRKRF-MRXNPFEDSA-N 0 3 338.499 4.139 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c1[O-] ZINC000850549660 1053306496 /nfs/dbraw/zinc/30/64/96/1053306496.db2.gz IRKIZMOLTUFVBX-GFCCVEGCSA-N 0 3 333.863 4.206 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1CCC(O)CC1 ZINC000850553816 1053309321 /nfs/dbraw/zinc/30/93/21/1053309321.db2.gz DCGYVSNDWGHJCL-GRERDSQWSA-N 0 3 339.479 4.207 20 10 EICDHN CC(C)[C@H](O)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850553940 1053309681 /nfs/dbraw/zinc/30/96/81/1053309681.db2.gz FIYRGNQUKLCFQC-NDXORKPFSA-N 0 3 326.484 4.161 20 10 EICDHN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000764859661 1053342515 /nfs/dbraw/zinc/34/25/15/1053342515.db2.gz LABOIYVHBPQGIA-MRXNPFEDSA-N 0 3 342.483 4.399 20 10 EICDHN CC[C@@H]([NH2+]CCCc1ccc(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000794801872 1053384255 /nfs/dbraw/zinc/38/42/55/1053384255.db2.gz LFDVYSNLUXFWCP-GOSISDBHSA-N 0 3 343.467 4.391 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C)cc1[O-] ZINC000794793385 1053386395 /nfs/dbraw/zinc/38/63/95/1053386395.db2.gz BEEURHIOASLZQU-KDOFPFPSSA-N 0 3 338.451 4.387 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794804987 1053391106 /nfs/dbraw/zinc/39/11/06/1053391106.db2.gz OPICOQQPUCOLFX-OALUTQOASA-N 0 3 342.483 4.480 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1cccc(OC(C)C)c1)c1ccc(C)cc1[O-] ZINC000794803657 1053399118 /nfs/dbraw/zinc/39/91/18/1053399118.db2.gz RFGIVNIRWWDCPX-FPOVZHCZSA-N 0 3 343.467 4.262 20 10 EICDHN CCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(N(C)CC)cc2)c1 ZINC000765049703 1053429796 /nfs/dbraw/zinc/42/97/96/1053429796.db2.gz RHOAMDUSMWBOJS-INIZCTEOSA-N 0 3 339.483 4.342 20 10 EICDHN CCC(=O)Nc1cccc(CN[C@H](CC)c2ccc(N(C)C)cc2)c1 ZINC000765047799 1053430570 /nfs/dbraw/zinc/43/05/70/1053430570.db2.gz BRLGDWHQHFYDBJ-HXUWFJFHSA-N 0 3 339.483 4.342 20 10 EICDHN CCC(=O)Nc1cccc(CN[C@@H](CC)c2ccc(N(C)C)cc2)c1 ZINC000765047797 1053430700 /nfs/dbraw/zinc/43/07/00/1053430700.db2.gz BRLGDWHQHFYDBJ-FQEVSTJZSA-N 0 3 339.483 4.342 20 10 EICDHN CCCN(Cc1c(C2CC2)nc2sccn12)Cc1ccccc1O ZINC000775667243 1053451580 /nfs/dbraw/zinc/45/15/80/1053451580.db2.gz GLRDGELFSHSGQR-UHFFFAOYSA-N 0 3 341.480 4.391 20 10 EICDHN CCC[N@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccccc1[O-] ZINC000775667243 1053451586 /nfs/dbraw/zinc/45/15/86/1053451586.db2.gz GLRDGELFSHSGQR-UHFFFAOYSA-N 0 3 341.480 4.391 20 10 EICDHN CCC[N@@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccccc1[O-] ZINC000775667243 1053451596 /nfs/dbraw/zinc/45/15/96/1053451596.db2.gz GLRDGELFSHSGQR-UHFFFAOYSA-N 0 3 341.480 4.391 20 10 EICDHN CC[C@@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](CC)CO1 ZINC001195862489 1053508422 /nfs/dbraw/zinc/50/84/22/1053508422.db2.gz MCNAKODYHJMAGU-VQTJNVASSA-N 0 3 330.516 4.375 20 10 EICDHN CC[C@@H](N[C@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853242819 1053659497 /nfs/dbraw/zinc/65/94/97/1053659497.db2.gz SSJMCUUCDWIUHC-MSOLQXFVSA-N 0 3 333.435 4.306 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccccc1[O-] ZINC000853242819 1053659499 /nfs/dbraw/zinc/65/94/99/1053659499.db2.gz SSJMCUUCDWIUHC-MSOLQXFVSA-N 0 3 333.435 4.306 20 10 EICDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1[O-] ZINC000775720572 1053694905 /nfs/dbraw/zinc/69/49/05/1053694905.db2.gz MHUJGFMPHFESHV-KRWDZBQOSA-N 0 3 345.870 4.393 20 10 EICDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1[O-] ZINC000775720572 1053694911 /nfs/dbraw/zinc/69/49/11/1053694911.db2.gz MHUJGFMPHFESHV-KRWDZBQOSA-N 0 3 345.870 4.393 20 10 EICDHN CC[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000866408754 1053717906 /nfs/dbraw/zinc/71/79/06/1053717906.db2.gz DEZKNBKDDUKTJP-IAGOWNOFSA-N 0 3 337.822 4.349 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000121085777 1053754848 /nfs/dbraw/zinc/75/48/48/1053754848.db2.gz PVHLWGMKTBSBDG-NVXWUHKLSA-N 0 3 339.357 4.185 20 10 EICDHN COc1ccc(N2CCN(CC[C@@H]3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC001197104601 1053837948 /nfs/dbraw/zinc/83/79/48/1053837948.db2.gz ILQIPXGCUBUALG-ROUUACIJSA-N 0 3 346.515 4.042 20 10 EICDHN CC[C@@H](NCc1ccc(N(C)C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000122765127 1054035494 /nfs/dbraw/zinc/03/54/94/1054035494.db2.gz XXKYUURTSPBTPG-LJQANCHMSA-N 0 3 327.428 4.210 20 10 EICDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)c([O-])c1 ZINC000873185007 1054505234 /nfs/dbraw/zinc/50/52/34/1054505234.db2.gz OQLHMLXCPWPQIU-LLVKDONJSA-N 0 3 340.345 4.056 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C2(c3ccccc3)CCOCC2)c1[O-] ZINC000776175427 1054803438 /nfs/dbraw/zinc/80/34/38/1054803438.db2.gz QTMVCTZAOQDFME-UHFFFAOYSA-N 0 3 331.843 4.150 20 10 EICDHN Cc1cc(C)nc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC001201549703 1054839045 /nfs/dbraw/zinc/83/90/45/1054839045.db2.gz OUZBZBSIFXGDPR-UHFFFAOYSA-N 0 3 340.427 4.209 20 10 EICDHN COc1cc(CN2CCC[C@@H]2c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825903436 1054958961 /nfs/dbraw/zinc/95/89/61/1054958961.db2.gz HHJKUTQFUDIDKT-LJQANCHMSA-N 0 3 340.467 4.430 20 10 EICDHN Cc1cc(N(C)C)ccc1CNCc1cc2c(ccnc2Cl)o1 ZINC000877030976 1055002815 /nfs/dbraw/zinc/00/28/15/1055002815.db2.gz KRBXVUVKUYFBLO-UHFFFAOYSA-N 0 3 329.831 4.145 20 10 EICDHN Cc1cc(Br)c(CNCc2c(C)cccc2O)s1 ZINC000877631230 1055097213 /nfs/dbraw/zinc/09/72/13/1055097213.db2.gz RJKPMEMMSJCDBH-UHFFFAOYSA-N 0 3 326.259 4.123 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1[O-] ZINC000877755590 1055114912 /nfs/dbraw/zinc/11/49/12/1055114912.db2.gz HKNLEPOIUMAYEZ-LLVKDONJSA-N 0 3 343.320 4.323 20 10 EICDHN Cc1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000119360401 1055166231 /nfs/dbraw/zinc/16/62/31/1055166231.db2.gz ZSXFNIKVSWUMKY-HOTGVXAUSA-N 0 3 328.456 4.145 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2oc(-c3ccccc3)nc2C)c1 ZINC000878360635 1055264080 /nfs/dbraw/zinc/26/40/80/1055264080.db2.gz QINIBQUWKBNVIM-ZDUSSCGKSA-N 0 3 338.407 4.215 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)c2c1c(F)ccc2[O-] ZINC000765805990 1055409023 /nfs/dbraw/zinc/40/90/23/1055409023.db2.gz AZLHWHIXMKVLPS-VWCVUJCZSA-N 0 3 349.833 4.230 20 10 EICDHN CCC(CC)(CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000744447168 1059515819 /nfs/dbraw/zinc/51/58/19/1059515819.db2.gz JPDFDLOPBOCXMF-UHFFFAOYSA-N 0 3 327.468 4.338 20 10 EICDHN C[C@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000379640266 1059704962 /nfs/dbraw/zinc/70/49/62/1059704962.db2.gz BNPDNRQLUQFZLV-HOTGVXAUSA-N 0 3 330.447 4.093 20 10 EICDHN COC(=O)C(C)(C)[C@@H](NCc1ccc(OC)c(C)c1)c1ccccc1 ZINC000746468386 1060369290 /nfs/dbraw/zinc/36/92/90/1060369290.db2.gz ABKBMGWTWCMUTN-IBGZPJMESA-N 0 3 341.451 4.034 20 10 EICDHN Cc1ccc(O)c([C@H](C)NCc2nc3cc(Cl)ccc3n2C)c1 ZINC000275154295 1020218277 /nfs/dbraw/zinc/21/82/77/1020218277.db2.gz XZZUKUBZLJQRLQ-LBPRGKRZSA-N 0 3 329.831 4.092 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccccc1[O-] ZINC000155190744 1020332658 /nfs/dbraw/zinc/33/26/58/1020332658.db2.gz YMOVMEIQOHPWIW-IBGZPJMESA-N 0 3 339.483 4.264 20 10 EICDHN CC[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[O-] ZINC000155369837 1020545667 /nfs/dbraw/zinc/54/56/67/1020545667.db2.gz BFGNMTFIFJIFEA-UTKZUKDTSA-N 0 3 339.435 4.355 20 10 EICDHN CC[C@H](NCc1ccsc1Br)c1ccccc1O ZINC000282508909 1022014426 /nfs/dbraw/zinc/01/44/26/1022014426.db2.gz SOXWFYAMRJZMIG-LBPRGKRZSA-N 0 3 326.259 4.457 20 10 EICDHN CC[C@@H](NCc1ccsc1Br)c1ccccc1O ZINC000282508906 1022016450 /nfs/dbraw/zinc/01/64/50/1022016450.db2.gz SOXWFYAMRJZMIG-GFCCVEGCSA-N 0 3 326.259 4.457 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c([O-])c1 ZINC000185157242 1023013349 /nfs/dbraw/zinc/01/33/49/1023013349.db2.gz YTONRFSRJHZMPU-CVEARBPZSA-N 0 3 338.451 4.239 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000185160686 1023016735 /nfs/dbraw/zinc/01/67/35/1023016735.db2.gz GPLDDEVQKGTXAB-CABCVRRESA-N 0 3 340.423 4.069 20 10 EICDHN COc1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1C ZINC000168215936 1023195802 /nfs/dbraw/zinc/19/58/02/1023195802.db2.gz QPPLVISYWIBORH-UHFFFAOYSA-N 0 3 325.330 4.034 20 10 EICDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])c(C(F)(F)F)c1 ZINC001143484814 1023338120 /nfs/dbraw/zinc/33/81/20/1023338120.db2.gz SBHDQGSAZRHYOD-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])c(C(F)(F)F)c1 ZINC001143484814 1023338130 /nfs/dbraw/zinc/33/81/30/1023338130.db2.gz SBHDQGSAZRHYOD-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN COc1ccc(CNCc2cccc(Cl)c2Cl)c(O)c1OC ZINC000892745359 1023361545 /nfs/dbraw/zinc/36/15/45/1023361545.db2.gz OOSHEDHLQJYEKC-UHFFFAOYSA-N 0 3 342.222 4.006 20 10 EICDHN CC[C@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)c1ccccc1[O-] ZINC000156329315 1023525879 /nfs/dbraw/zinc/52/58/79/1023525879.db2.gz FLRZKESLQNSVMX-HNNXBMFYSA-N 0 3 337.366 4.243 20 10 EICDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(Nc2cccnc2)CC1 ZINC000377623039 1023640327 /nfs/dbraw/zinc/64/03/27/1023640327.db2.gz JLJXNBLVFKAGSA-UHFFFAOYSA-N 0 3 333.435 4.017 20 10 EICDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000377717556 1023707329 /nfs/dbraw/zinc/70/73/29/1023707329.db2.gz HVUWOUJYAQAQGS-IBGZPJMESA-N 0 3 343.442 4.052 20 10 EICDHN C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1cc(F)ccc1[O-] ZINC000377745246 1023735892 /nfs/dbraw/zinc/73/58/92/1023735892.db2.gz NBHSRGHGTIOSLL-VLIAUNLRSA-N 0 3 341.426 4.276 20 10 EICDHN COc1cc(C[N@H+](C)Cc2ccccc2[O-])cc(C(F)(F)F)c1 ZINC001143519224 1024666722 /nfs/dbraw/zinc/66/67/22/1024666722.db2.gz JEZSRWJOUJPKBI-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN COc1cc(C[N@@H+](C)Cc2ccccc2[O-])cc(C(F)(F)F)c1 ZINC001143519224 1024666737 /nfs/dbraw/zinc/66/67/37/1024666737.db2.gz JEZSRWJOUJPKBI-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)n[nH]1 ZINC000277070913 1025020546 /nfs/dbraw/zinc/02/05/46/1025020546.db2.gz DVNGDOSOFXLMCQ-IHRRRGAJSA-N 0 3 342.487 4.314 20 10 EICDHN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)n[nH]1 ZINC000277070903 1025021032 /nfs/dbraw/zinc/02/10/32/1025021032.db2.gz DVNGDOSOFXLMCQ-BFHYXJOUSA-N 0 3 342.487 4.314 20 10 EICDHN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)n[nH]1 ZINC000277070923 1025022139 /nfs/dbraw/zinc/02/21/39/1025022139.db2.gz DVNGDOSOFXLMCQ-MELADBBJSA-N 0 3 342.487 4.314 20 10 EICDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000066969834 1025608491 /nfs/dbraw/zinc/60/84/91/1025608491.db2.gz DQMXOMBELQZPPB-AWEZNQCLSA-N 0 3 348.849 4.167 20 10 EICDHN CC[C@@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(C)cc1O ZINC000375663499 1026000711 /nfs/dbraw/zinc/00/07/11/1026000711.db2.gz JTGXJUNPYAHHRT-TZIWHRDSSA-N 0 3 335.451 4.264 20 10 EICDHN CCOc1ccc(O)c(CNC2(c3nc(C)cs3)CCCC2)c1 ZINC000112711050 1026743811 /nfs/dbraw/zinc/74/38/11/1026743811.db2.gz HTVQSOFUHZWAIW-UHFFFAOYSA-N 0 3 332.469 4.115 20 10 EICDHN C[C@H]([NH2+]Cc1sccc1Br)c1cc(F)ccc1[O-] ZINC000148055914 1027891909 /nfs/dbraw/zinc/89/19/09/1027891909.db2.gz UPWGHKPBCHGISM-QMMMGPOBSA-N 0 3 330.222 4.206 20 10 EICDHN C[C@H](NCc1sccc1Br)c1cc(F)ccc1O ZINC000148055914 1027891917 /nfs/dbraw/zinc/89/19/17/1027891917.db2.gz UPWGHKPBCHGISM-QMMMGPOBSA-N 0 3 330.222 4.206 20 10 EICDHN C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cc(F)ccc1[O-] ZINC000185858407 1030232922 /nfs/dbraw/zinc/23/29/22/1030232922.db2.gz LHDFFVGVWJLSLY-GFCCVEGCSA-N 0 3 344.361 4.219 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000248569677 1033867578 /nfs/dbraw/zinc/86/75/78/1033867578.db2.gz QEVFMYKJUMGJJV-SCTDSRPQSA-N 0 3 333.378 4.241 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C)cc1[O-] ZINC000280058469 1035139501 /nfs/dbraw/zinc/13/95/01/1035139501.db2.gz KEQXWWSWLCJCJJ-XZRIDHLOSA-N 0 3 331.481 4.240 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])cc1OC ZINC000280046296 1035145165 /nfs/dbraw/zinc/14/51/65/1035145165.db2.gz JIASKQBGENLATA-KRWDZBQOSA-N 0 3 329.440 4.349 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280237007 1035209819 /nfs/dbraw/zinc/20/98/19/1035209819.db2.gz VQKMCVQVAHJXLM-HQRMLTQVSA-N 0 3 327.468 4.296 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1[O-] ZINC000761193466 1036003711 /nfs/dbraw/zinc/00/37/11/1036003711.db2.gz FHLZDFRRVYWWON-CYBMUJFWSA-N 0 3 335.806 4.183 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1[O-] ZINC000761193466 1036003738 /nfs/dbraw/zinc/00/37/38/1036003738.db2.gz FHLZDFRRVYWWON-CYBMUJFWSA-N 0 3 335.806 4.183 20 10 EICDHN COc1ccc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(OC)c3[O-])C2)cc1 ZINC000761196030 1036022476 /nfs/dbraw/zinc/02/24/76/1036022476.db2.gz SMPPGWBWPNPEEC-CQSZACIVSA-N 0 3 347.842 4.052 20 10 EICDHN COc1ccc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(OC)c3[O-])C2)cc1 ZINC000761196030 1036022499 /nfs/dbraw/zinc/02/24/99/1036022499.db2.gz SMPPGWBWPNPEEC-CQSZACIVSA-N 0 3 347.842 4.052 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CCc2c[nH]c3c2cccc3C)c1[O-] ZINC000761207585 1036036290 /nfs/dbraw/zinc/03/62/90/1036036290.db2.gz QESOSEZTMHZMOC-UHFFFAOYSA-N 0 3 344.842 4.176 20 10 EICDHN COCCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000760702483 1036433307 /nfs/dbraw/zinc/43/33/07/1036433307.db2.gz TZBBCUSEXTYGEV-UHFFFAOYSA-N 0 3 325.452 4.356 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(F)c(Cl)c2)c1[O-] ZINC000228672921 1036459197 /nfs/dbraw/zinc/45/91/97/1036459197.db2.gz SFPFRAADKNBCMR-UHFFFAOYSA-N 0 3 330.186 4.137 20 10 EICDHN C[C@@H](c1ccccc1)[N@H+](CCC1OCCCO1)Cc1ccccc1[O-] ZINC000272055729 1037090158 /nfs/dbraw/zinc/09/01/58/1037090158.db2.gz RFKIZQMXRAXACN-KRWDZBQOSA-N 0 3 341.451 4.109 20 10 EICDHN C[C@@H](c1ccccc1)[N@@H+](CCC1OCCCO1)Cc1ccccc1[O-] ZINC000272055729 1037090177 /nfs/dbraw/zinc/09/01/77/1037090177.db2.gz RFKIZQMXRAXACN-KRWDZBQOSA-N 0 3 341.451 4.109 20 10 EICDHN Cc1cccc(CN[C@H]2CCOc3ccc(Br)cc32)c1O ZINC000272094636 1037099347 /nfs/dbraw/zinc/09/93/47/1037099347.db2.gz NVYFLXRMJZXUAT-HNNXBMFYSA-N 0 3 348.240 4.077 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCCCC(F)(F)F)C[C@@H]1CCCO1 ZINC000157230622 1037249706 /nfs/dbraw/zinc/24/97/06/1037249706.db2.gz BJLUFXWEECBRJP-HNNXBMFYSA-N 0 3 331.378 4.106 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCCCC(F)(F)F)C[C@@H]1CCCO1 ZINC000157230622 1037249766 /nfs/dbraw/zinc/24/97/66/1037249766.db2.gz BJLUFXWEECBRJP-HNNXBMFYSA-N 0 3 331.378 4.106 20 10 EICDHN C[C@H]([NH2+]CCc1ccc(Br)s1)c1cc(F)ccc1[O-] ZINC000230659483 1038224175 /nfs/dbraw/zinc/22/41/75/1038224175.db2.gz ABDCXUNCCFBEIE-VIFPVBQESA-N 0 3 344.249 4.249 20 10 EICDHN COc1cccc(-c2cc(CN[C@H](C)c3ccc(C)cc3O)on2)c1 ZINC000903291855 1041004463 /nfs/dbraw/zinc/00/44/63/1041004463.db2.gz LJWBYFWLGGINGI-CQSZACIVSA-N 0 3 338.407 4.215 20 10 EICDHN Cc1nn(C)c(C)c1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293945157 1042318914 /nfs/dbraw/zinc/31/89/14/1042318914.db2.gz YWZHUURTKDTIHL-OAQYLSRUSA-N 0 3 349.478 4.206 20 10 EICDHN Cc1c([C@H](C)NCc2ccc(N(C)C)cc2C)cnn1-c1ccccc1 ZINC000766030589 1043062501 /nfs/dbraw/zinc/06/25/01/1043062501.db2.gz UNHBWPCWEVWZLD-KRWDZBQOSA-N 0 3 348.494 4.406 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000185517544 1043089779 /nfs/dbraw/zinc/08/97/79/1043089779.db2.gz CPHZFHZGYDUMAV-FHERZECASA-N 0 3 348.487 4.187 20 10 EICDHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccc(F)c(F)c1)CCC2 ZINC000732980090 1044061254 /nfs/dbraw/zinc/06/12/54/1044061254.db2.gz HBTQDDWIRRXKGB-IBGZPJMESA-N 0 3 329.390 4.496 20 10 EICDHN CN(C)c1ccc(CNCc2ccc(OC(C)(C)C)cc2)cc1F ZINC000733325401 1044187880 /nfs/dbraw/zinc/18/78/80/1044187880.db2.gz GIMCFSXCSOMZBH-UHFFFAOYSA-N 0 3 330.447 4.359 20 10 EICDHN C[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766140407 1044333696 /nfs/dbraw/zinc/33/36/96/1044333696.db2.gz WIBKTBBZBFWMPW-UTKZUKDTSA-N 0 3 334.467 4.041 20 10 EICDHN COc1cc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])ccc1O ZINC000734160539 1044504930 /nfs/dbraw/zinc/50/49/30/1044504930.db2.gz WTVLQLMWIQGMHG-UHFFFAOYSA-N 0 3 349.430 4.106 20 10 EICDHN Cc1cc(Br)cc(C[N@@H+](C)C2CCC(F)(F)CC2)c1[O-] ZINC000711086048 1044838372 /nfs/dbraw/zinc/83/83/72/1044838372.db2.gz JDUGSSDSMGUEDN-UHFFFAOYSA-N 0 3 348.231 4.473 20 10 EICDHN Cc1cc(Br)cc(C[N@H+](C)C2CCC(F)(F)CC2)c1[O-] ZINC000711086048 1044838375 /nfs/dbraw/zinc/83/83/75/1044838375.db2.gz JDUGSSDSMGUEDN-UHFFFAOYSA-N 0 3 348.231 4.473 20 10 EICDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000237529175 1045388649 /nfs/dbraw/zinc/38/86/49/1045388649.db2.gz QUMVSUQEVMMGNO-LSDHHAIUSA-N 0 3 325.456 4.123 20 10 EICDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(N(C)C)cc1 ZINC000790696621 1045561540 /nfs/dbraw/zinc/56/15/40/1045561540.db2.gz UTBMUXBQEZTAFX-SFHVURJKSA-N 0 3 327.428 4.210 20 10 EICDHN COc1cccc(CN[C@H](CC(F)(F)F)c2ccccc2C)c1O ZINC000767740548 1045624692 /nfs/dbraw/zinc/62/46/92/1045624692.db2.gz WHQYOCTYVVJOTL-OAHLLOKOSA-N 0 3 339.357 4.493 20 10 EICDHN Cc1cc(CCN[C@@H](C)c2cscn2)c(C)n1-c1ccccc1 ZINC000768089863 1045707988 /nfs/dbraw/zinc/70/79/88/1045707988.db2.gz IRMJTBDCLIMECG-HNNXBMFYSA-N 0 3 325.481 4.444 20 10 EICDHN CCN(Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000768134090 1045723976 /nfs/dbraw/zinc/72/39/76/1045723976.db2.gz PCVXYNGVFVCDGR-UHFFFAOYSA-N 0 3 334.467 4.165 20 10 EICDHN CCc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000768162609 1045729436 /nfs/dbraw/zinc/72/94/36/1045729436.db2.gz RXGJMFRNLQVCMB-INIZCTEOSA-N 0 3 331.481 4.197 20 10 EICDHN CCc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000768162609 1045729456 /nfs/dbraw/zinc/72/94/56/1045729456.db2.gz RXGJMFRNLQVCMB-INIZCTEOSA-N 0 3 331.481 4.197 20 10 EICDHN COc1cccc([O-])c1C[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000768250458 1045764049 /nfs/dbraw/zinc/76/40/49/1045764049.db2.gz RIIBNMINJIVNIM-UHFFFAOYSA-N 0 3 348.446 4.480 20 10 EICDHN COc1cccc([O-])c1C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000768250458 1045764061 /nfs/dbraw/zinc/76/40/61/1045764061.db2.gz RIIBNMINJIVNIM-UHFFFAOYSA-N 0 3 348.446 4.480 20 10 EICDHN CC(C)N(Cc1nn(C)c2ccccc12)Cc1ccc(N(C)C)cc1 ZINC000768350393 1045795788 /nfs/dbraw/zinc/79/57/88/1045795788.db2.gz FIOSTKJKMNOLNQ-UHFFFAOYSA-N 0 3 336.483 4.050 20 10 EICDHN COc1cc(O)c(CN(Cc2ccc(Cl)cc2)C2CC2)cc1OC ZINC000768443763 1045807789 /nfs/dbraw/zinc/80/77/89/1045807789.db2.gz UAJZRSFHTYLJFT-UHFFFAOYSA-N 0 3 347.842 4.227 20 10 EICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(c4cccnc4)CC3)c2c1 ZINC000768458647 1045810768 /nfs/dbraw/zinc/81/07/68/1045810768.db2.gz FAUGSLZULFWWCB-UHFFFAOYSA-N 0 3 348.446 4.329 20 10 EICDHN CCOc1ccc(C[N@H+](CC)[C@@H](C)c2cccc(OC)c2)c([O-])c1 ZINC000768519692 1045814015 /nfs/dbraw/zinc/81/40/15/1045814015.db2.gz BNKIXQSCMSIJKS-HNNXBMFYSA-N 0 3 329.440 4.383 20 10 EICDHN CCOc1ccc(C[N@@H+](CC)[C@@H](C)c2cccc(OC)c2)c([O-])c1 ZINC000768519692 1045814017 /nfs/dbraw/zinc/81/40/17/1045814017.db2.gz BNKIXQSCMSIJKS-HNNXBMFYSA-N 0 3 329.440 4.383 20 10 EICDHN COc1cccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1[O-] ZINC000768779811 1045840837 /nfs/dbraw/zinc/84/08/37/1045840837.db2.gz WYMMXWPZUZWKOK-MRXNPFEDSA-N 0 3 336.435 4.262 20 10 EICDHN COc1cccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1[O-] ZINC000768779811 1045840829 /nfs/dbraw/zinc/84/08/29/1045840829.db2.gz WYMMXWPZUZWKOK-MRXNPFEDSA-N 0 3 336.435 4.262 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000768889799 1045854729 /nfs/dbraw/zinc/85/47/29/1045854729.db2.gz CAXPQBIKIRQKHD-GOSISDBHSA-N 0 3 333.435 4.162 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000768889799 1045854737 /nfs/dbraw/zinc/85/47/37/1045854737.db2.gz CAXPQBIKIRQKHD-GOSISDBHSA-N 0 3 333.435 4.162 20 10 EICDHN Cc1cc(O)c(CN2CCC[C@H]2c2nc3ccccc3n2C)cc1C ZINC000768918024 1045860410 /nfs/dbraw/zinc/86/04/10/1045860410.db2.gz FMXOYLRLZFYQKG-IBGZPJMESA-N 0 3 335.451 4.233 20 10 EICDHN CCC[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccccc1[O-] ZINC000769201806 1045893117 /nfs/dbraw/zinc/89/31/17/1045893117.db2.gz ZWHOBBJRSVHBDJ-UHFFFAOYSA-N 0 3 329.831 4.106 20 10 EICDHN CCC[N@@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccccc1[O-] ZINC000769201806 1045893123 /nfs/dbraw/zinc/89/31/23/1045893123.db2.gz ZWHOBBJRSVHBDJ-UHFFFAOYSA-N 0 3 329.831 4.106 20 10 EICDHN CCC[N@H+](Cc1cnc(N(CC)CC)s1)Cc1ccccc1[O-] ZINC000769201580 1045893475 /nfs/dbraw/zinc/89/34/75/1045893475.db2.gz WYVMAXSXIOQOHY-UHFFFAOYSA-N 0 3 333.501 4.107 20 10 EICDHN CCC[N@@H+](Cc1cnc(N(CC)CC)s1)Cc1ccccc1[O-] ZINC000769201580 1045893486 /nfs/dbraw/zinc/89/34/86/1045893486.db2.gz WYVMAXSXIOQOHY-UHFFFAOYSA-N 0 3 333.501 4.107 20 10 EICDHN CCN(CC)c1ccc(CN2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC000769315209 1045918004 /nfs/dbraw/zinc/91/80/04/1045918004.db2.gz HQVLAPGLAIPEFF-UHFFFAOYSA-N 0 3 346.515 4.087 20 10 EICDHN CCN1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C ZINC000769469619 1045987426 /nfs/dbraw/zinc/98/74/26/1045987426.db2.gz BRJMWTDZIACZDY-DYESRHJHSA-N 0 3 338.495 4.364 20 10 EICDHN CCN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C ZINC000769469619 1045987407 /nfs/dbraw/zinc/98/74/07/1045987407.db2.gz BRJMWTDZIACZDY-DYESRHJHSA-N 0 3 338.495 4.364 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)c1[O-] ZINC000793304797 1046197987 /nfs/dbraw/zinc/19/79/87/1046197987.db2.gz NIEOXGKKYDMVAT-MRXNPFEDSA-N 0 3 335.806 4.361 20 10 EICDHN COc1cc(C[N@H+](Cc2ccccc2[O-])C2CC2)ccc1OC(F)F ZINC000770509457 1046209862 /nfs/dbraw/zinc/20/98/62/1046209862.db2.gz MWRZDOMCSHNFQB-UHFFFAOYSA-N 0 3 349.377 4.167 20 10 EICDHN COc1cc(C[N@@H+](Cc2ccccc2[O-])C2CC2)ccc1OC(F)F ZINC000770509457 1046209880 /nfs/dbraw/zinc/20/98/80/1046209880.db2.gz MWRZDOMCSHNFQB-UHFFFAOYSA-N 0 3 349.377 4.167 20 10 EICDHN COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)cs2)c([O-])c1 ZINC000793389067 1046232738 /nfs/dbraw/zinc/23/27/38/1046232738.db2.gz UVKSABFCOGMMIN-UHFFFAOYSA-N 0 3 325.433 4.419 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000322066905 1046260542 /nfs/dbraw/zinc/26/05/42/1046260542.db2.gz CPHZFHZGYDUMAV-BZUAXINKSA-N 0 3 348.487 4.187 20 10 EICDHN CCCc1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000794275218 1046391254 /nfs/dbraw/zinc/39/12/54/1046391254.db2.gz NLJFSNXNWYAGLH-UHFFFAOYSA-N 0 3 329.488 4.412 20 10 EICDHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccccc1Cl)OCO2 ZINC000917482716 1046905453 /nfs/dbraw/zinc/90/54/53/1046905453.db2.gz LCDLHILRDCCHTD-HNNXBMFYSA-N 0 3 331.799 4.111 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806172495 1047157523 /nfs/dbraw/zinc/15/75/23/1047157523.db2.gz NENUJVPLMXZOBG-IERDGZPVSA-N 0 3 343.490 4.235 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806172494 1047158181 /nfs/dbraw/zinc/15/81/81/1047158181.db2.gz NENUJVPLMXZOBG-HRAATJIYSA-N 0 3 343.490 4.235 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H]2CCc3nc(Cl)ccc32)cc1F ZINC000806140322 1047164729 /nfs/dbraw/zinc/16/47/29/1047164729.db2.gz WEAHRZSSEFVKMJ-MRXNPFEDSA-N 0 3 347.865 4.497 20 10 EICDHN CCCCOc1ncccc1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000788566187 1047233050 /nfs/dbraw/zinc/23/30/50/1047233050.db2.gz YZJVCJZVNRNMLP-INIZCTEOSA-N 0 3 328.456 4.434 20 10 EICDHN CC1(C)C[C@H](NCc2ccc3c(c2)CCO3)c2cc([N+](=O)[O-])ccc21 ZINC000788575570 1047236832 /nfs/dbraw/zinc/23/68/32/1047236832.db2.gz BGSCOJLOKDENSG-SFHVURJKSA-N 0 3 338.407 4.042 20 10 EICDHN CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H](O)c1ccccc1 ZINC000788622590 1047253332 /nfs/dbraw/zinc/25/33/32/1047253332.db2.gz SBJAQJDBKNTZGE-NUVQDNJRSA-N 0 3 343.442 4.427 20 10 EICDHN C[N@H+](Cc1c(-c2ccccc2)nc2sccn12)Cc1ccccc1[O-] ZINC000917996887 1047266612 /nfs/dbraw/zinc/26/66/12/1047266612.db2.gz OIMSIDLKWGZDPL-UHFFFAOYSA-N 0 3 349.459 4.400 20 10 EICDHN C[N@@H+](Cc1c(-c2ccccc2)nc2sccn12)Cc1ccccc1[O-] ZINC000917996887 1047266622 /nfs/dbraw/zinc/26/66/22/1047266622.db2.gz OIMSIDLKWGZDPL-UHFFFAOYSA-N 0 3 349.459 4.400 20 10 EICDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](O)Cc1ccccc1 ZINC000746762056 1047290356 /nfs/dbraw/zinc/29/03/56/1047290356.db2.gz UJNMUDNTJLJSBZ-SBUREZEXSA-N 0 3 347.458 4.141 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c([O-])c1 ZINC000788776772 1047313001 /nfs/dbraw/zinc/31/30/01/1047313001.db2.gz NCLZEBVHCKKLQQ-NJNPRVFISA-N 0 3 341.495 4.289 20 10 EICDHN CCCOc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c(C)c1 ZINC000789583641 1047443286 /nfs/dbraw/zinc/44/32/86/1047443286.db2.gz DMOLMYPBDQCACT-UHFFFAOYSA-N 0 3 349.858 4.441 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCCC1 ZINC000789732415 1047466197 /nfs/dbraw/zinc/46/61/97/1047466197.db2.gz PPFFNJZABYYFEM-UHFFFAOYSA-N 0 3 337.423 4.320 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCCC1 ZINC000789732415 1047466204 /nfs/dbraw/zinc/46/62/04/1047466204.db2.gz PPFFNJZABYYFEM-UHFFFAOYSA-N 0 3 337.423 4.320 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccccc1[O-] ZINC000154827688 1047668046 /nfs/dbraw/zinc/66/80/46/1047668046.db2.gz PLHAUOIAHIIIDW-SJORKVTESA-N 0 3 330.497 4.332 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccccc1[O-] ZINC000154871395 1047724592 /nfs/dbraw/zinc/72/45/92/1047724592.db2.gz IWMVRKYCFWEKNB-ZWKOTPCHSA-N 0 3 328.456 4.253 20 10 EICDHN COc1ccc(O)c(CNCc2ccc(-c3ccccc3)cc2F)c1 ZINC000814173473 1047867120 /nfs/dbraw/zinc/86/71/20/1047867120.db2.gz QOWYYPYBJDTGER-UHFFFAOYSA-N 0 3 337.394 4.497 20 10 EICDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000825045537 1048023706 /nfs/dbraw/zinc/02/37/06/1048023706.db2.gz GGBWUPHSWHXQOM-LKFCYVNXSA-N 0 3 337.341 4.156 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCn2cnc3ccccc32)c1[O-] ZINC000808681948 1048035857 /nfs/dbraw/zinc/03/58/57/1048035857.db2.gz KOKDAMCRJZFEDG-CYBMUJFWSA-N 0 3 329.831 4.055 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)c1[O-] ZINC000808694581 1048038696 /nfs/dbraw/zinc/03/86/96/1048038696.db2.gz DXWQSGYMFRSEGO-ZDUSSCGKSA-N 0 3 332.831 4.033 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000808692298 1048039537 /nfs/dbraw/zinc/03/95/37/1048039537.db2.gz QSXIAQYJTKDWAM-GFCCVEGCSA-N 0 3 334.803 4.156 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)c1[O-] ZINC000808674523 1048045825 /nfs/dbraw/zinc/04/58/25/1048045825.db2.gz UMNRLRXQUPHBQC-MLGOLLRUSA-N 0 3 338.904 4.369 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1[O-] ZINC000808672840 1048046390 /nfs/dbraw/zinc/04/63/90/1048046390.db2.gz SGUBORPCOWSAIY-IUODEOHRSA-N 0 3 338.904 4.369 20 10 EICDHN COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808703862 1048049934 /nfs/dbraw/zinc/04/99/34/1048049934.db2.gz YPGHTUCPEAWZAV-ACJLOTCBSA-N 0 3 349.858 4.137 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c1[O-] ZINC000808707377 1048053985 /nfs/dbraw/zinc/05/39/85/1048053985.db2.gz NJILKYAJSZFFQW-ZUZCIYMTSA-N 0 3 341.785 4.016 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c1[O-] ZINC000808708912 1048056763 /nfs/dbraw/zinc/05/67/63/1048056763.db2.gz RVZGJEBZXWWCMW-ACJLOTCBSA-N 0 3 330.859 4.191 20 10 EICDHN Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808719527 1048065561 /nfs/dbraw/zinc/06/55/61/1048065561.db2.gz VERPWFDRTVPUCG-CKFHNAJUSA-N 0 3 333.859 4.435 20 10 EICDHN CCOCC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000808725147 1048072534 /nfs/dbraw/zinc/07/25/34/1048072534.db2.gz NREMZFGOHNUSLG-GFCCVEGCSA-N 0 3 344.293 4.176 20 10 EICDHN CC[N@H+](Cc1cc(C)cc(Br)c1)Cc1ccccc1[O-] ZINC001144222640 1048514467 /nfs/dbraw/zinc/51/44/67/1048514467.db2.gz YMAQMJWKSSFQFM-UHFFFAOYSA-N 0 3 334.257 4.485 20 10 EICDHN CC[N@@H+](Cc1cc(C)cc(Br)c1)Cc1ccccc1[O-] ZINC001144222640 1048514484 /nfs/dbraw/zinc/51/44/84/1048514484.db2.gz YMAQMJWKSSFQFM-UHFFFAOYSA-N 0 3 334.257 4.485 20 10 EICDHN CC[C@H](C)[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579267 1048517714 /nfs/dbraw/zinc/51/77/14/1048517714.db2.gz JBGDYCWVCNQISE-LDQXTDLNSA-N 0 3 327.468 4.063 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000815582718 1048522806 /nfs/dbraw/zinc/52/28/06/1048522806.db2.gz NRLUDYLVEXMMKF-ZVDOUQERSA-N 0 3 339.479 4.207 20 10 EICDHN CCC(O)(CC)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815572315 1048534650 /nfs/dbraw/zinc/53/46/50/1048534650.db2.gz ZXNYKDGSPIZJBQ-IBGZPJMESA-N 0 3 327.468 4.207 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCOC(F)F ZINC000815623715 1048548074 /nfs/dbraw/zinc/54/80/74/1048548074.db2.gz FMWLIHUIWFEXHA-QGZVFWFLSA-N 0 3 335.394 4.285 20 10 EICDHN C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000815630836 1048552650 /nfs/dbraw/zinc/55/26/50/1048552650.db2.gz ZADUIAUOYBFWCV-JJMVLAAESA-N 0 3 335.806 4.056 20 10 EICDHN CC[C@H]([NH2+]CCCn1ccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211680 1048680610 /nfs/dbraw/zinc/68/06/10/1048680610.db2.gz UYWUZZCLKZZTLY-HNNXBMFYSA-N 0 3 341.377 4.047 20 10 EICDHN CC[C@@]1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])OCCc2ccccc21 ZINC000810242580 1048723584 /nfs/dbraw/zinc/72/35/84/1048723584.db2.gz DXUWTSQGWJEGCR-VLIAUNLRSA-N 0 3 329.415 4.060 20 10 EICDHN COc1cc(O)c(CNC2(c3ccccc3Cl)CCC2)cc1OC ZINC000845995200 1048795370 /nfs/dbraw/zinc/79/53/70/1048795370.db2.gz RMNPAJRPPHOVBI-UHFFFAOYSA-N 0 3 347.842 4.232 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846041758 1048804048 /nfs/dbraw/zinc/80/40/48/1048804048.db2.gz AQGPGDOZPMWNIT-QFIPXVFZSA-N 0 3 337.463 4.354 20 10 EICDHN Cc1cc(Br)cc(CN2CCC3(CC3(F)F)CC2)c1O ZINC000846054651 1048807371 /nfs/dbraw/zinc/80/73/71/1048807371.db2.gz OLLLEEMHWLWTRG-UHFFFAOYSA-N 0 3 346.215 4.084 20 10 EICDHN Cc1cc(Br)cc(C[NH+]2CCC3(CC3(F)F)CC2)c1[O-] ZINC000846054651 1048807375 /nfs/dbraw/zinc/80/73/75/1048807375.db2.gz OLLLEEMHWLWTRG-UHFFFAOYSA-N 0 3 346.215 4.084 20 10 EICDHN COc1cccc([C@H](C)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)c1O ZINC000846153227 1048824300 /nfs/dbraw/zinc/82/43/00/1048824300.db2.gz HZQXPSYSJXVBLL-LRDDRELGSA-N 0 3 345.414 4.493 20 10 EICDHN C[C@@H](O)[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccccc1F ZINC000846182974 1048835526 /nfs/dbraw/zinc/83/55/26/1048835526.db2.gz MNUIMUGUGCCUFI-PXIJXODZSA-N 0 3 343.442 4.183 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1[O-] ZINC000816631338 1048839956 /nfs/dbraw/zinc/83/99/56/1048839956.db2.gz OEAFUQUWCOVHOR-LJQANCHMSA-N 0 3 345.870 4.348 20 10 EICDHN CCCn1ccnc1CCC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816611798 1048843517 /nfs/dbraw/zinc/84/35/17/1048843517.db2.gz XJAOSRMZZCJYOY-UHFFFAOYSA-N 0 3 337.467 4.217 20 10 EICDHN CCCn1ccnc1CCC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816611798 1048843521 /nfs/dbraw/zinc/84/35/21/1048843521.db2.gz XJAOSRMZZCJYOY-UHFFFAOYSA-N 0 3 337.467 4.217 20 10 EICDHN C[C@@H](c1ccccc1)[N@H+](CCCc1cncn1C)Cc1ccccc1[O-] ZINC000846839431 1048918668 /nfs/dbraw/zinc/91/86/68/1048918668.db2.gz FCUITGSKPKPNFA-SFHVURJKSA-N 0 3 349.478 4.322 20 10 EICDHN C[C@@H](c1ccccc1)[N@@H+](CCCc1cncn1C)Cc1ccccc1[O-] ZINC000846839431 1048918706 /nfs/dbraw/zinc/91/87/06/1048918706.db2.gz FCUITGSKPKPNFA-SFHVURJKSA-N 0 3 349.478 4.322 20 10 EICDHN CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000817415720 1048967121 /nfs/dbraw/zinc/96/71/21/1048967121.db2.gz XIKZKNBOJMHBSS-RTBURBONSA-N 0 3 341.451 4.018 20 10 EICDHN C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(N(C)C)cc1 ZINC000817974855 1049074963 /nfs/dbraw/zinc/07/49/63/1049074963.db2.gz GRHBIOKLGIQPHP-KUHUBIRLSA-N 0 3 339.483 4.288 20 10 EICDHN C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)ccc1[O-] ZINC000817975664 1049075822 /nfs/dbraw/zinc/07/58/22/1049075822.db2.gz PRIQVTGHRGYUFJ-BZNIZROVSA-N 0 3 330.403 4.067 20 10 EICDHN CCOc1cccc(CNC(C)(C)c2cc(Cl)ccc2OC)c1O ZINC000818232011 1049118110 /nfs/dbraw/zinc/11/81/10/1049118110.db2.gz NXKFJWUDQORIRU-UHFFFAOYSA-N 0 3 349.858 4.478 20 10 EICDHN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773118855 1049590934 /nfs/dbraw/zinc/59/09/34/1049590934.db2.gz QMHNOJUQJRXRKQ-YOEHRIQHSA-N 0 3 344.421 4.031 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)c1ccccc1[O-] ZINC000037000696 1049653846 /nfs/dbraw/zinc/65/38/46/1049653846.db2.gz BBONWJHEQTWWEB-QWHCGFSZSA-N 0 3 334.257 4.437 20 10 EICDHN CCC[N@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccccc1[O-] ZINC000179929601 1049806230 /nfs/dbraw/zinc/80/62/30/1049806230.db2.gz GQFDPLYFUXVWHF-UHFFFAOYSA-N 0 3 335.451 4.205 20 10 EICDHN CCC[N@@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccccc1[O-] ZINC000179929601 1049806234 /nfs/dbraw/zinc/80/62/34/1049806234.db2.gz GQFDPLYFUXVWHF-UHFFFAOYSA-N 0 3 335.451 4.205 20 10 EICDHN COC[C@H](NCc1ccc(N(C)C)cc1C)c1ccc(Cl)cc1 ZINC000786829131 1049835269 /nfs/dbraw/zinc/83/52/69/1049835269.db2.gz JJDHHTNYUVMWIV-IBGZPJMESA-N 0 3 332.875 4.192 20 10 EICDHN COc1ccc(O)c(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000180183069 1049858484 /nfs/dbraw/zinc/85/84/84/1049858484.db2.gz RTJOKDMJCHKRHI-UHFFFAOYSA-N 0 3 327.424 4.051 20 10 EICDHN COc1ccc(O)c(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000180183069 1049858490 /nfs/dbraw/zinc/85/84/90/1049858490.db2.gz RTJOKDMJCHKRHI-UHFFFAOYSA-N 0 3 327.424 4.051 20 10 EICDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000823752617 1049874463 /nfs/dbraw/zinc/87/44/63/1049874463.db2.gz JFTXEDUVQVSQLR-AWEZNQCLSA-N 0 3 336.204 4.071 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)OCCCCO2)c1ccc(N(C)C)cc1 ZINC000824195469 1049905000 /nfs/dbraw/zinc/90/50/00/1049905000.db2.gz GFPSDACWJLWNAF-MRXNPFEDSA-N 0 3 340.467 4.155 20 10 EICDHN C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172567278 1049936401 /nfs/dbraw/zinc/93/64/01/1049936401.db2.gz JCSQPKVBJBLBAR-JTQLQIEISA-N 0 3 341.785 4.140 20 10 EICDHN CCN(C)c1ccc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000773756259 1050504752 /nfs/dbraw/zinc/50/47/52/1050504752.db2.gz VFEYFBXBPMHGHT-GYCJOSAFSA-N 0 3 344.524 4.073 20 10 EICDHN C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1[O-] ZINC000775129308 1050572299 /nfs/dbraw/zinc/57/22/99/1050572299.db2.gz FXSVOSWFQJGIBZ-GFCCVEGCSA-N 0 3 333.815 4.058 20 10 EICDHN CCCCOc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OC ZINC001179489425 1050706543 /nfs/dbraw/zinc/70/65/43/1050706543.db2.gz NOCIPIVWPZIAQZ-OAHLLOKOSA-N 0 3 329.440 4.431 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cc(F)ccc1N(C)C ZINC001179829332 1050802844 /nfs/dbraw/zinc/80/28/44/1050802844.db2.gz BVWUESFUCFSUBR-CQSZACIVSA-N 0 3 328.431 4.068 20 10 EICDHN CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(CC)CC ZINC001179950750 1050828237 /nfs/dbraw/zinc/82/82/37/1050828237.db2.gz HHTPXAFAXQNDPO-RBUKOAKNSA-N 0 3 335.488 4.125 20 10 EICDHN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(CC)CC ZINC001179950750 1050828245 /nfs/dbraw/zinc/82/82/45/1050828245.db2.gz HHTPXAFAXQNDPO-RBUKOAKNSA-N 0 3 335.488 4.125 20 10 EICDHN C[C@H]1CCN(Cc2ccc(Cl)cc2[O-])CC[N@@H+]1Cc1ccccc1 ZINC001180088507 1050863727 /nfs/dbraw/zinc/86/37/27/1050863727.db2.gz ZKQBZBLYYUQNDD-INIZCTEOSA-N 0 3 344.886 4.142 20 10 EICDHN C[C@H]1CCN(Cc2ccc(Cl)cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC001180088507 1050863733 /nfs/dbraw/zinc/86/37/33/1050863733.db2.gz ZKQBZBLYYUQNDD-INIZCTEOSA-N 0 3 344.886 4.142 20 10 EICDHN COc1ccc(C[C@@H]2CCN2C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC001180115667 1050890781 /nfs/dbraw/zinc/89/07/81/1050890781.db2.gz BMQLVOIZPJCJBF-NYPGBQQYSA-N 0 3 336.479 4.091 20 10 EICDHN Cc1cccc([C@@H]2CCN(Cc3cc(F)c(N(C)C)cc3F)C2)c1 ZINC001180818487 1051089880 /nfs/dbraw/zinc/08/98/80/1051089880.db2.gz BFMKNZBXTYSASX-MRXNPFEDSA-N 0 3 330.422 4.329 20 10 EICDHN Cc1c([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cnn1-c1ccc(F)cc1 ZINC000183466622 1051130815 /nfs/dbraw/zinc/13/08/15/1051130815.db2.gz LLOVQAHOFLFRLS-KBPBESRZSA-N 0 3 339.414 4.437 20 10 EICDHN CCN1CCN(c2ccc(N[C@H](C)c3ccccc3O)c(C)c2)CC1 ZINC000183646385 1051222791 /nfs/dbraw/zinc/22/27/91/1051222791.db2.gz AMDQOCYDHFWNMG-QGZVFWFLSA-N 0 3 339.483 4.016 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000775415979 1051290418 /nfs/dbraw/zinc/29/04/18/1051290418.db2.gz SJYPLJVCHFRAJZ-DOTOQJQBSA-N 0 3 339.357 4.185 20 10 EICDHN CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000774160784 1051488508 /nfs/dbraw/zinc/48/85/08/1051488508.db2.gz BDMWMNYXOOHWDL-CHWSQXEVSA-N 0 3 345.314 4.470 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)CCc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000775496227 1051599837 /nfs/dbraw/zinc/59/98/37/1051599837.db2.gz IABWOCJOMMTNQV-RHSMWYFYSA-N 0 3 327.424 4.183 20 10 EICDHN CCCCn1cc(CN[C@@H](C)c2ccc(N(C)CC)cc2)c(C)n1 ZINC000774475423 1051608864 /nfs/dbraw/zinc/60/88/64/1051608864.db2.gz SNEQHXHTKHHRKD-INIZCTEOSA-N 0 3 328.504 4.299 20 10 EICDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000774482087 1051610325 /nfs/dbraw/zinc/61/03/25/1051610325.db2.gz FPNKOHHLIDJEAC-KBPBESRZSA-N 0 3 345.874 4.084 20 10 EICDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000774482089 1051610348 /nfs/dbraw/zinc/61/03/48/1051610348.db2.gz FPNKOHHLIDJEAC-UONOGXRCSA-N 0 3 345.874 4.084 20 10 EICDHN CC[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000775497826 1051617633 /nfs/dbraw/zinc/61/76/33/1051617633.db2.gz VWBFPZJERCILSC-MRXNPFEDSA-N 0 3 327.424 4.139 20 10 EICDHN CC[C@@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccccc1[O-] ZINC000775522324 1051686952 /nfs/dbraw/zinc/68/69/52/1051686952.db2.gz MPQPOUJCVCCDLF-CQSZACIVSA-N 0 3 341.238 4.214 20 10 EICDHN Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1Cl ZINC001183355117 1051826388 /nfs/dbraw/zinc/82/63/88/1051826388.db2.gz KTFWIBZCOFLPIZ-ZIAGYGMSSA-N 0 3 346.858 4.422 20 10 EICDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](Cc1ccccc1)OC ZINC001193838986 1051996313 /nfs/dbraw/zinc/99/63/13/1051996313.db2.gz OKHFJUKLPQEQEJ-HXUWFJFHSA-N 0 3 327.468 4.252 20 10 EICDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](Cc1ccccc1)OC ZINC001193838986 1051996322 /nfs/dbraw/zinc/99/63/22/1051996322.db2.gz OKHFJUKLPQEQEJ-HXUWFJFHSA-N 0 3 327.468 4.252 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)c([O-])c1 ZINC000184835991 1052246301 /nfs/dbraw/zinc/24/63/01/1052246301.db2.gz ZLKLXXZAGMTFOY-DOTOQJQBSA-N 0 3 330.497 4.250 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c([O-])c1 ZINC000185007823 1052360449 /nfs/dbraw/zinc/36/04/49/1052360449.db2.gz MJIRZPIUHPRFIA-QGZVFWFLSA-N 0 3 325.452 4.100 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000185107290 1052434060 /nfs/dbraw/zinc/43/40/60/1052434060.db2.gz YWJBHBJPBQHYBC-WMLDXEAASA-N 0 3 327.424 4.274 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000185107325 1052434078 /nfs/dbraw/zinc/43/40/78/1052434078.db2.gz YWJBHBJPBQHYBC-RHSMWYFYSA-N 0 3 327.424 4.274 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)c([O-])c1 ZINC000185126751 1052447336 /nfs/dbraw/zinc/44/73/36/1052447336.db2.gz JXNDJHCLLLBLRG-GOSISDBHSA-N 0 3 339.479 4.408 20 10 EICDHN COc1ccc(CCC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000185147504 1052478616 /nfs/dbraw/zinc/47/86/16/1052478616.db2.gz VNFVRVNBDZRFMJ-OAHLLOKOSA-N 0 3 329.440 4.001 20 10 EICDHN C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1cc(F)ccc1[O-] ZINC000185406994 1052595624 /nfs/dbraw/zinc/59/56/24/1052595624.db2.gz GFEWKQUMFINDER-XCLFUZPHSA-N 0 3 325.383 4.069 20 10 EICDHN CCN(CC)c1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1F ZINC000850387305 1053156820 /nfs/dbraw/zinc/15/68/20/1053156820.db2.gz QTYBLRQMCTZAGZ-IBGZPJMESA-N 0 3 328.431 4.155 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cncc(Br)c1 ZINC000850437194 1053211081 /nfs/dbraw/zinc/21/10/81/1053211081.db2.gz ZYMPTUZDPGEUJI-ZDUSSCGKSA-N 0 3 348.288 4.069 20 10 EICDHN COC[C@H](N[C@H](C)c1ccc(C)c(C)c1O)c1cccc(OC)c1 ZINC000850513803 1053272215 /nfs/dbraw/zinc/27/22/15/1053272215.db2.gz JPVVBKNTSMBTCI-BEFAXECRSA-N 0 3 329.440 4.056 20 10 EICDHN COC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(OC)c1 ZINC000850514097 1053272328 /nfs/dbraw/zinc/27/23/28/1053272328.db2.gz LJWVANSQHQVQII-JLZZUVOBSA-N 0 3 345.414 4.066 20 10 EICDHN COC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(OC)c1 ZINC000850514094 1053273245 /nfs/dbraw/zinc/27/32/45/1053273245.db2.gz LJWVANSQHQVQII-DQYPLSBCSA-N 0 3 345.414 4.066 20 10 EICDHN COCc1csc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000850532921 1053298085 /nfs/dbraw/zinc/29/80/85/1053298085.db2.gz PCPBCMCLSSRFJV-LLVKDONJSA-N 0 3 325.861 4.413 20 10 EICDHN CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(C)cc1[O-] ZINC000850557345 1053311177 /nfs/dbraw/zinc/31/11/77/1053311177.db2.gz WPWAURKMGFUKBW-SESVDKBCSA-N 0 3 327.468 4.500 20 10 EICDHN COc1ccc(O)c(CN(C)Cc2ccccc2C(F)(F)F)c1 ZINC000775648440 1053340736 /nfs/dbraw/zinc/34/07/36/1053340736.db2.gz UVZOXOJNERGHMR-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN CCOc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c([O-])c1 ZINC000776499045 1053379943 /nfs/dbraw/zinc/37/99/43/1053379943.db2.gz SITUSCZIMSLWKT-KRWDZBQOSA-N 0 3 347.842 4.448 20 10 EICDHN CC[C@H]([NH2+]Cc1cc(OC)nc2ccccc12)c1ccc(C)cc1[O-] ZINC000794800987 1053384835 /nfs/dbraw/zinc/38/48/35/1053384835.db2.gz HHBNAYGNQLSDKH-SFHVURJKSA-N 0 3 336.435 4.498 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000794803704 1053397265 /nfs/dbraw/zinc/39/72/65/1053397265.db2.gz SAFKBADXSBPQBQ-HNAYVOBHSA-N 0 3 329.440 4.217 20 10 EICDHN CC[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(C)cc1O ZINC000794810987 1053416225 /nfs/dbraw/zinc/41/62/25/1053416225.db2.gz AWDJWOPFEWZXNH-FQEVSTJZSA-N 0 3 339.483 4.016 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(C)cc1[O-] ZINC000794828982 1053440341 /nfs/dbraw/zinc/44/03/41/1053440341.db2.gz QCOSDNPEYOAHEQ-WMZOPIPTSA-N 0 3 337.822 4.267 20 10 EICDHN CCC[C@H](NCc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120568339 1053517880 /nfs/dbraw/zinc/51/78/80/1053517880.db2.gz BTRKMHILLYIJOX-IBGZPJMESA-N 0 3 327.428 4.292 20 10 EICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(OC(C)(C)C)CC3)c2c1 ZINC000120590628 1053521578 /nfs/dbraw/zinc/52/15/78/1053521578.db2.gz ZYJRQHWOXPIIHX-UHFFFAOYSA-N 0 3 343.467 4.334 20 10 EICDHN C[C@@H](N[C@H]1CCCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000765391432 1053527320 /nfs/dbraw/zinc/52/73/20/1053527320.db2.gz FLVCXQUXGPBNDM-KUHUBIRLSA-N 0 3 328.431 4.456 20 10 EICDHN CN(C)c1ccc(CN[C@@H]2CSCCc3ccccc32)cc1F ZINC000765473122 1053562508 /nfs/dbraw/zinc/56/25/08/1053562508.db2.gz CEXKULGIHRMTOC-GOSISDBHSA-N 0 3 330.472 4.012 20 10 EICDHN Cc1ccc(N2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)c(C)c1 ZINC001196338721 1053645121 /nfs/dbraw/zinc/64/51/21/1053645121.db2.gz MIDOGFMLDIVOCB-UHFFFAOYSA-N 0 3 337.511 4.000 20 10 EICDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853242355 1053657762 /nfs/dbraw/zinc/65/77/62/1053657762.db2.gz PMUKZNYNYWAPIT-YJBOKZPZSA-N 0 3 333.435 4.224 20 10 EICDHN CC[C@@H]1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000780754117 1053661729 /nfs/dbraw/zinc/66/17/29/1053661729.db2.gz MTSHSUAXACWXNJ-FUHWJXTLSA-N 0 3 329.440 4.193 20 10 EICDHN CC[C@@H]1C[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000780754117 1053661734 /nfs/dbraw/zinc/66/17/34/1053661734.db2.gz MTSHSUAXACWXNJ-FUHWJXTLSA-N 0 3 329.440 4.193 20 10 EICDHN Cc1cc(N(C)C)ccc1CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001205773733 1053662145 /nfs/dbraw/zinc/66/21/45/1053662145.db2.gz RQLPHILAEALWRT-JKSUJKDBSA-N 0 3 327.299 4.077 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)cc1[O-] ZINC000866485452 1053750110 /nfs/dbraw/zinc/75/01/10/1053750110.db2.gz LKXWHBYNIQWECP-IUODEOHRSA-N 0 3 326.396 4.349 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(OC)c1OC ZINC000866508834 1053757806 /nfs/dbraw/zinc/75/78/06/1053757806.db2.gz SBCOIAMUAMXBOZ-LRDDRELGSA-N 0 3 333.403 4.350 20 10 EICDHN Cc1ccc([C@H](C)NCc2ccc(OC(F)F)cc2F)c(O)c1 ZINC000866541446 1053774648 /nfs/dbraw/zinc/77/46/48/1053774648.db2.gz MAODXFIRPGVVSM-NSHDSACASA-N 0 3 325.330 4.292 20 10 EICDHN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(N2CCCCCC2)cc1 ZINC000866632085 1053811622 /nfs/dbraw/zinc/81/16/22/1053811622.db2.gz HUKDEFSPWJIZIK-YLJYHZDGSA-N 0 3 338.499 4.449 20 10 EICDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc3ncsc3c2)c([O-])c1 ZINC000776809658 1053918438 /nfs/dbraw/zinc/91/84/38/1053918438.db2.gz TYRGCXOHYXASOB-GFCCVEGCSA-N 0 3 328.437 4.251 20 10 EICDHN Cn1cc(CN(Cc2ccccc2O)C2CCCCC2)c(Cl)n1 ZINC000857012073 1054152046 /nfs/dbraw/zinc/15/20/46/1054152046.db2.gz VAIHKSYXNXIQGH-UHFFFAOYSA-N 0 3 333.863 4.114 20 10 EICDHN CCOc1cncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000857021893 1054153186 /nfs/dbraw/zinc/15/31/86/1054153186.db2.gz YOBBIRDHTPUSET-UHFFFAOYSA-N 0 3 326.440 4.131 20 10 EICDHN CCOc1cncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000857021893 1054153197 /nfs/dbraw/zinc/15/31/97/1054153197.db2.gz YOBBIRDHTPUSET-UHFFFAOYSA-N 0 3 326.440 4.131 20 10 EICDHN COc1ccc(O)c(CNCc2ccc(-c3cccc(F)c3C)o2)c1 ZINC000115618535 1054364138 /nfs/dbraw/zinc/36/41/38/1054364138.db2.gz CJSXWUVCMQLRJI-UHFFFAOYSA-N 0 3 341.382 4.398 20 10 EICDHN Cc1ccc([C@H](C)NCc2nc(-c3ccncc3)cs2)c(O)c1C ZINC000872122166 1054400761 /nfs/dbraw/zinc/40/07/61/1054400761.db2.gz UCIFDNAWOWBOKZ-AWEZNQCLSA-N 0 3 339.464 4.378 20 10 EICDHN C[C@@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872129851 1054403706 /nfs/dbraw/zinc/40/37/06/1054403706.db2.gz ZVHGIKICQNWDRJ-MISXGVKJSA-N 0 3 330.359 4.339 20 10 EICDHN C[C@@H](N[C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1[N+](=O)[O-] ZINC000872129851 1054403710 /nfs/dbraw/zinc/40/37/10/1054403710.db2.gz ZVHGIKICQNWDRJ-MISXGVKJSA-N 0 3 330.359 4.339 20 10 EICDHN COc1cc(CNCc2ccc(N(C)C)cc2)cc(C(F)(F)F)c1 ZINC000858088435 1054412741 /nfs/dbraw/zinc/41/27/41/1054412741.db2.gz DUIVWPJMGCRRDL-UHFFFAOYSA-N 0 3 338.373 4.070 20 10 EICDHN Cc1ccc(O)c(CNCc2cccc(F)c2OCC(F)(F)F)c1 ZINC000858239775 1054445793 /nfs/dbraw/zinc/44/57/93/1054445793.db2.gz SZAOPKGOIGLOID-UHFFFAOYSA-N 0 3 343.320 4.071 20 10 EICDHN CCOc1ccc(C[NH2+]Cc2cn(C(F)F)c3ccccc23)c([O-])c1 ZINC000858291885 1054455990 /nfs/dbraw/zinc/45/59/90/1054455990.db2.gz NZEPGHNNRKWJCO-UHFFFAOYSA-N 0 3 346.377 4.431 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000858442784 1054491270 /nfs/dbraw/zinc/49/12/70/1054491270.db2.gz MKJDCKAITQAMCQ-AZUAARDMSA-N 0 3 329.440 4.138 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCCOC1 ZINC000858445539 1054491592 /nfs/dbraw/zinc/49/15/92/1054491592.db2.gz MQHDNBIDEHISNZ-FPOVZHCZSA-N 0 3 339.479 4.472 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1[O-] ZINC000776042061 1054506693 /nfs/dbraw/zinc/50/66/93/1054506693.db2.gz OLKRNUUBZXESJN-INIZCTEOSA-N 0 3 335.806 4.497 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2ccns2)c1[O-] ZINC000858576500 1054522762 /nfs/dbraw/zinc/52/27/62/1054522762.db2.gz LPIDRYZJMRJGRM-NXEZZACHSA-N 0 3 341.274 4.331 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)N[C@H](C)c2ccns2)c1O ZINC000858576500 1054522779 /nfs/dbraw/zinc/52/27/79/1054522779.db2.gz LPIDRYZJMRJGRM-NXEZZACHSA-N 0 3 341.274 4.331 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc(Cl)nn1)C1CCCCC1 ZINC000876522412 1054927679 /nfs/dbraw/zinc/92/76/79/1054927679.db2.gz QCHHXYJLPARTGP-UHFFFAOYSA-N 0 3 331.847 4.171 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(Cl)nn1)C1CCCCC1 ZINC000876522412 1054927692 /nfs/dbraw/zinc/92/76/92/1054927692.db2.gz QCHHXYJLPARTGP-UHFFFAOYSA-N 0 3 331.847 4.171 20 10 EICDHN Cc1c2ccccc2n(C)c1CN[C@H]1CCCc2cnn(C(C)C)c21 ZINC001201889410 1054936840 /nfs/dbraw/zinc/93/68/40/1054936840.db2.gz ODONEMSKFGYWDE-SFHVURJKSA-N 0 3 336.483 4.431 20 10 EICDHN CN(C)c1ccc(/C=C/CN[C@H]2CCOc3ccc(F)cc32)cc1 ZINC001202010798 1054978652 /nfs/dbraw/zinc/97/86/52/1054978652.db2.gz QKHGXTJZCHWZIV-RTLBZRNLSA-N 0 3 326.415 4.018 20 10 EICDHN Cc1ccc(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)c([O-])c1 ZINC000877113710 1055020210 /nfs/dbraw/zinc/02/02/10/1055020210.db2.gz PGRLIFOYHJYXHU-UHFFFAOYSA-N 0 3 339.357 4.069 20 10 EICDHN Cc1cccc([O-])c1C[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336609 1055043260 /nfs/dbraw/zinc/04/32/60/1055043260.db2.gz LCBOETKVNHNHCW-FXAWDEMLSA-N 0 3 329.415 4.192 20 10 EICDHN Cc1cccc([O-])c1C[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336609 1055043279 /nfs/dbraw/zinc/04/32/79/1055043279.db2.gz LCBOETKVNHNHCW-FXAWDEMLSA-N 0 3 329.415 4.192 20 10 EICDHN CCc1cnccc1[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776257579 1055078364 /nfs/dbraw/zinc/07/83/64/1055078364.db2.gz YMTKWYLFGCQSJN-LBPRGKRZSA-N 0 3 349.272 4.271 20 10 EICDHN Cc1cccc([O-])c1C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000877618419 1055091946 /nfs/dbraw/zinc/09/19/46/1055091946.db2.gz SVVQGYUVWQQWDH-UHFFFAOYSA-N 0 3 333.435 4.023 20 10 EICDHN COc1ccc(CNCc2cccc(C(=O)OC(C)(C)C)c2)cc1C ZINC000776256667 1055093651 /nfs/dbraw/zinc/09/36/51/1055093651.db2.gz FSISZSTUXFEUGI-UHFFFAOYSA-N 0 3 341.451 4.249 20 10 EICDHN Cc1ncc([C@@H](C)[NH2+]Cc2cc(Br)cc(C)c2[O-])s1 ZINC000877684954 1055106632 /nfs/dbraw/zinc/10/66/32/1055106632.db2.gz FTGUJZYEZBXVAX-SECBINFHSA-N 0 3 341.274 4.079 20 10 EICDHN CC[C@@H](C)Oc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OC ZINC000877756623 1055114454 /nfs/dbraw/zinc/11/44/54/1055114454.db2.gz ZLBDMYRQOPJHAT-HUUCEWRRSA-N 0 3 329.440 4.429 20 10 EICDHN CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756288 1055114837 /nfs/dbraw/zinc/11/48/37/1055114837.db2.gz FKLMHGCDHVXTQY-HUUCEWRRSA-N 0 3 326.440 4.023 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1[O-] ZINC000877757116 1055115520 /nfs/dbraw/zinc/11/55/20/1055115520.db2.gz HKNLEPOIUMAYEZ-NSHDSACASA-N 0 3 343.320 4.323 20 10 EICDHN CC1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CC(F)(F)C1 ZINC000877834578 1055129258 /nfs/dbraw/zinc/12/92/58/1055129258.db2.gz VMMSPXNNJLGOHQ-UHFFFAOYSA-N 0 3 333.378 4.249 20 10 EICDHN C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cc(F)ccc1[O-] ZINC000186501745 1056745384 /nfs/dbraw/zinc/74/53/84/1056745384.db2.gz GMDBLEGNLGNEHM-OAHLLOKOSA-N 0 3 328.431 4.372 20 10 EICDHN Cc1ccccc1[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000742163545 1058525988 /nfs/dbraw/zinc/52/59/88/1058525988.db2.gz SPBGYVWAMGTCQY-JOCHJYFZSA-N 0 3 333.431 4.427 20 10 EICDHN Cc1ccccc1[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000742163545 1058526008 /nfs/dbraw/zinc/52/60/08/1058526008.db2.gz SPBGYVWAMGTCQY-JOCHJYFZSA-N 0 3 333.431 4.427 20 10 EICDHN Cc1ccccc1[C@H]1CN(Cc2cc3c(cc2O)CCC3)[C@H](C)CO1 ZINC000742167424 1058530001 /nfs/dbraw/zinc/53/00/01/1058530001.db2.gz FVSRFMNRVBUXCS-OPAMFIHVSA-N 0 3 337.463 4.151 20 10 EICDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000743870306 1059192411 /nfs/dbraw/zinc/19/24/11/1059192411.db2.gz POLDRZKTBYWYDH-KRWDZBQOSA-N 0 3 340.467 4.248 20 10 EICDHN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCN1Cc1ccccc1 ZINC000379649814 1059746084 /nfs/dbraw/zinc/74/60/84/1059746084.db2.gz PUGPFGWSOHKWKV-RDJZCZTQSA-N 0 3 344.886 4.188 20 10 EICDHN C[C@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO[C@H]1C1CC1 ZINC000767196193 1061140807 /nfs/dbraw/zinc/14/08/07/1061140807.db2.gz TULWBZZAHJTPIU-FCHUYYIVSA-N 0 3 337.463 4.354 20 10 EICDHN C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729680992 1032138638 /nfs/dbraw/zinc/13/86/38/1032138638.db2.gz LTEXRFFXWZWXDW-MRXNPFEDSA-N 0 3 333.431 4.486 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000274725260 1019057804 /nfs/dbraw/zinc/05/78/04/1019057804.db2.gz ANKXWTFMMXSHPU-IMFGXOCKSA-N 0 3 329.415 4.492 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccccc1[O-] ZINC000274894774 1019840739 /nfs/dbraw/zinc/84/07/39/1019840739.db2.gz KCVNRDABCSVZFU-SFHVURJKSA-N 0 3 325.456 4.018 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccccc1[O-] ZINC000155169780 1020309627 /nfs/dbraw/zinc/30/96/27/1020309627.db2.gz LTGMBRORHUFCMT-BBRMVZONSA-N 0 3 345.439 4.220 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccccc1[O-] ZINC000155190850 1020330982 /nfs/dbraw/zinc/33/09/82/1020330982.db2.gz YMOVMEIQOHPWIW-LJQANCHMSA-N 0 3 339.483 4.264 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCOc2c(OC)cc(C)cc21)c1ccccc1[O-] ZINC000376325913 1022169440 /nfs/dbraw/zinc/16/94/40/1022169440.db2.gz TYHPKXDQKCGMGX-SJORKVTESA-N 0 3 327.424 4.274 20 10 EICDHN Cc1nc(C)c([C@H](C)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000178204582 1022410103 /nfs/dbraw/zinc/41/01/03/1022410103.db2.gz BEOXOMAPWNCGDY-ZDUSSCGKSA-N 0 3 347.553 4.164 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310905354 1022576395 /nfs/dbraw/zinc/57/63/95/1022576395.db2.gz BUFPZXDHOOSJSS-SOLBZPMBSA-N 0 3 342.458 4.093 20 10 EICDHN CC[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccccc1[O-] ZINC000156147520 1023028674 /nfs/dbraw/zinc/02/86/74/1023028674.db2.gz ASBMMBVVWWRONR-SFHVURJKSA-N 0 3 335.451 4.247 20 10 EICDHN c1ccc(COc2ccc(CNCc3ccc4c(c3)CCO4)cc2)cc1 ZINC000236600198 1023101066 /nfs/dbraw/zinc/10/10/66/1023101066.db2.gz HUDDMPQMRRBAOM-UHFFFAOYSA-N 0 3 345.442 4.490 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2nc(-c3ccccc3)no2)c([O-])c1 ZINC000376891526 1023330879 /nfs/dbraw/zinc/33/08/79/1023330879.db2.gz BVGHHFFEPJPVGT-LSDHHAIUSA-N 0 3 337.423 4.032 20 10 EICDHN COc1ccc(C)cc1[C@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000378909402 1023393982 /nfs/dbraw/zinc/39/39/82/1023393982.db2.gz RNGXLYIHKLEOEQ-LBPRGKRZSA-N 0 3 335.831 4.222 20 10 EICDHN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000378909402 1023393994 /nfs/dbraw/zinc/39/39/94/1023393994.db2.gz RNGXLYIHKLEOEQ-LBPRGKRZSA-N 0 3 335.831 4.222 20 10 EICDHN CC[C@@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccccc1[O-] ZINC000364374680 1023694291 /nfs/dbraw/zinc/69/42/91/1023694291.db2.gz UCMYLSMOGZYIRZ-GOSISDBHSA-N 0 3 330.497 4.159 20 10 EICDHN Fc1cc(CN2CCC[C@@H]2c2cccs2)ccc1N1CCOCC1 ZINC000162698363 1023704563 /nfs/dbraw/zinc/70/45/63/1023704563.db2.gz SVEBZLKVMDMVOV-GOSISDBHSA-N 0 3 346.471 4.061 20 10 EICDHN Brc1cccc2c1CC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000236584655 1025248097 /nfs/dbraw/zinc/24/80/97/1025248097.db2.gz CVUJVNYUFSWJGA-KRWDZBQOSA-N 0 3 344.252 4.161 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccccc1[O-] ZINC000156834184 1025665622 /nfs/dbraw/zinc/66/56/22/1025665622.db2.gz HCJBCHLSPRMISP-MOPGFXCFSA-N 0 3 327.468 4.235 20 10 EICDHN CC[C@H]([NH2+][C@H]1C[C@H](C(=O)OC)c2ccccc21)c1ccc(C)cc1[O-] ZINC000375663286 1025977862 /nfs/dbraw/zinc/97/78/62/1025977862.db2.gz JKDPKUKXLDFVSS-FHWLQOOXSA-N 0 3 339.435 4.143 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924809 1027766814 /nfs/dbraw/zinc/76/68/14/1027766814.db2.gz VVSNFGWXXSBZSV-INIZCTEOSA-N 0 3 339.483 4.342 20 10 EICDHN C[C@H]1CCCN(c2ccc(CNCc3ccncc3)cc2Cl)C1 ZINC000281943013 1028992081 /nfs/dbraw/zinc/99/20/81/1028992081.db2.gz IEMBLOADHNIHCC-HNNXBMFYSA-N 0 3 329.875 4.261 20 10 EICDHN Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185676097 1030215655 /nfs/dbraw/zinc/21/56/55/1030215655.db2.gz SLXUHVBPFLQPEW-KGLIPLIRSA-N 0 3 339.414 4.437 20 10 EICDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1nc(-c2ccccc2)no1 ZINC000186192755 1030256360 /nfs/dbraw/zinc/25/63/60/1030256360.db2.gz LMZHNKUPTMKSHJ-OLZOCXBDSA-N 0 3 341.386 4.036 20 10 EICDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H]1C ZINC001168243459 1031426284 /nfs/dbraw/zinc/42/62/84/1031426284.db2.gz DZVUYNSMNUHCGL-AOIWGVFYSA-N 0 3 325.452 4.380 20 10 EICDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H]1C ZINC001168243459 1031426297 /nfs/dbraw/zinc/42/62/97/1031426297.db2.gz DZVUYNSMNUHCGL-AOIWGVFYSA-N 0 3 325.452 4.380 20 10 EICDHN COc1cc(C)cc(CN[C@@H](C)c2ccccc2OC(F)F)c1O ZINC000894162902 1034423517 /nfs/dbraw/zinc/42/35/17/1034423517.db2.gz ARVZQTWNHOQZEW-LBPRGKRZSA-N 0 3 337.366 4.161 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccc(C)cc1[O-] ZINC000280130257 1035184884 /nfs/dbraw/zinc/18/48/84/1035184884.db2.gz OXLMAXRYPYSWFQ-LJQANCHMSA-N 0 3 339.483 4.327 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280237014 1035209704 /nfs/dbraw/zinc/20/97/04/1035209704.db2.gz VQKMCVQVAHJXLM-POAQFYNOSA-N 0 3 327.468 4.296 20 10 EICDHN COC[C@H](N[C@H](C)c1ccc(C)c(C)c1O)c1ccc(F)c(F)c1 ZINC000273349413 1037426672 /nfs/dbraw/zinc/42/66/72/1037426672.db2.gz BIHZLTULDDPPIW-ACJLOTCBSA-N 0 3 335.394 4.326 20 10 EICDHN C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(F)ccc1[O-] ZINC000273433628 1037464054 /nfs/dbraw/zinc/46/40/54/1037464054.db2.gz LMZYWJASYLYXAO-XGINMYPSSA-N 0 3 333.378 4.241 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2cncs2)c1[O-] ZINC000903312206 1041012729 /nfs/dbraw/zinc/01/27/29/1041012729.db2.gz UHSOBJRMRYGPEO-NXEZZACHSA-N 0 3 341.274 4.331 20 10 EICDHN Cc1nnsc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294022522 1042327646 /nfs/dbraw/zinc/32/76/46/1042327646.db2.gz DXVAWZSBJZRVIW-KRWDZBQOSA-N 0 3 339.464 4.016 20 10 EICDHN Cc1nnsc1CN[C@@H](CCc1ccccc1)c1ccccc1O ZINC000294022522 1042327653 /nfs/dbraw/zinc/32/76/53/1042327653.db2.gz DXVAWZSBJZRVIW-KRWDZBQOSA-N 0 3 339.464 4.016 20 10 EICDHN CN(C)c1ccc(CN[C@H]2CCCc3nc(Cl)ccc32)cc1F ZINC000297551282 1042727322 /nfs/dbraw/zinc/72/73/22/1042727322.db2.gz FQGRCBSDMYBQNP-HNNXBMFYSA-N 0 3 333.838 4.107 20 10 EICDHN COc1ccc(CNC2(c3ccccc3Cl)CCC2)c(O)c1OC ZINC000895138083 1043281608 /nfs/dbraw/zinc/28/16/08/1043281608.db2.gz UVLWFUGNFXQCLY-UHFFFAOYSA-N 0 3 347.842 4.232 20 10 EICDHN CN(C)c1ccc(CNCc2ccc3c(c2)CCC(C)(C)O3)cc1F ZINC000731677854 1043815364 /nfs/dbraw/zinc/81/53/64/1043815364.db2.gz AHYQMXWPWOOOKW-UHFFFAOYSA-N 0 3 342.458 4.285 20 10 EICDHN Cc1cccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000732204232 1043887611 /nfs/dbraw/zinc/88/76/11/1043887611.db2.gz GFZNLTDYNUZTLV-UHFFFAOYSA-N 0 3 338.451 4.084 20 10 EICDHN Cc1cccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000732204232 1043887616 /nfs/dbraw/zinc/88/76/16/1043887616.db2.gz GFZNLTDYNUZTLV-UHFFFAOYSA-N 0 3 338.451 4.084 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CCCC1 ZINC000732204975 1043887787 /nfs/dbraw/zinc/88/77/87/1043887787.db2.gz WRVHAHFEHBUZPV-FQEVSTJZSA-N 0 3 329.415 4.010 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1ccc(F)cc1)C1CCCC1 ZINC000732204975 1043887790 /nfs/dbraw/zinc/88/77/90/1043887790.db2.gz WRVHAHFEHBUZPV-FQEVSTJZSA-N 0 3 329.415 4.010 20 10 EICDHN Cc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000733334649 1044199444 /nfs/dbraw/zinc/19/94/44/1044199444.db2.gz NTUCULFVUXBLGY-IBGZPJMESA-N 0 3 344.886 4.108 20 10 EICDHN C[C@@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC000735079029 1044738446 /nfs/dbraw/zinc/73/84/46/1044738446.db2.gz ZNNNHILZRXHCBD-PXNSSMCTSA-N 0 3 325.452 4.177 20 10 EICDHN C[C@@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC000735079029 1044738463 /nfs/dbraw/zinc/73/84/63/1044738463.db2.gz ZNNNHILZRXHCBD-PXNSSMCTSA-N 0 3 325.452 4.177 20 10 EICDHN COc1ccc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)cn1 ZINC000915225377 1045196091 /nfs/dbraw/zinc/19/60/91/1045196091.db2.gz ASXBADZMRGTTAD-UHFFFAOYSA-N 0 3 335.451 4.096 20 10 EICDHN Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1F ZINC000768162092 1045728843 /nfs/dbraw/zinc/72/88/43/1045728843.db2.gz LCBKYZXKGCIOJV-GOSISDBHSA-N 0 3 329.415 4.021 20 10 EICDHN Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1F ZINC000768162092 1045728831 /nfs/dbraw/zinc/72/88/31/1045728831.db2.gz LCBKYZXKGCIOJV-GOSISDBHSA-N 0 3 329.415 4.021 20 10 EICDHN COc1ccc(N2CCCN(Cc3cccc(C(F)F)c3)CC2)cc1 ZINC000791445972 1045742458 /nfs/dbraw/zinc/74/24/58/1045742458.db2.gz CQIKMZMDBPKHEC-UHFFFAOYSA-N 0 3 346.421 4.345 20 10 EICDHN CN(C)c1ccc(CN(Cc2c[nH]nc2-c2ccccc2)C2CC2)cc1 ZINC000768258220 1045767448 /nfs/dbraw/zinc/76/74/48/1045767448.db2.gz VFMXBZYDJNLDPV-UHFFFAOYSA-N 0 3 346.478 4.307 20 10 EICDHN C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000768293103 1045781344 /nfs/dbraw/zinc/78/13/44/1045781344.db2.gz LLISQQGBKSXIMO-DLPLYFIVSA-N 0 3 329.484 4.127 20 10 EICDHN CC(C)[N@@H+](C)CC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768925366 1045861808 /nfs/dbraw/zinc/86/18/08/1045861808.db2.gz BFQUPKYGSYVXOG-UHFFFAOYSA-N 0 3 345.314 4.251 20 10 EICDHN CC(C)[N@H+](C)CC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768925366 1045861803 /nfs/dbraw/zinc/86/18/03/1045861803.db2.gz BFQUPKYGSYVXOG-UHFFFAOYSA-N 0 3 345.314 4.251 20 10 EICDHN Cc1ccc(O)c(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000769192869 1045886125 /nfs/dbraw/zinc/88/61/25/1045886125.db2.gz VHBYQDPDEXPINM-LJQANCHMSA-N 0 3 329.415 4.021 20 10 EICDHN Cc1ccc2ncc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)n2c1 ZINC000769389344 1045945012 /nfs/dbraw/zinc/94/50/12/1045945012.db2.gz PRLXXUBHYBFETM-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN Cc1ccc2ncc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)n2c1 ZINC000769389344 1045945022 /nfs/dbraw/zinc/94/50/22/1045945022.db2.gz PRLXXUBHYBFETM-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN CCN1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1C ZINC000769469623 1045985044 /nfs/dbraw/zinc/98/50/44/1045985044.db2.gz BRJMWTDZIACZDY-LAUBAEHRSA-N 0 3 338.495 4.364 20 10 EICDHN CCN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1C ZINC000769469623 1045985027 /nfs/dbraw/zinc/98/50/27/1045985027.db2.gz BRJMWTDZIACZDY-LAUBAEHRSA-N 0 3 338.495 4.364 20 10 EICDHN CN(C)c1ccc(CNCc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000792888716 1046093662 /nfs/dbraw/zinc/09/36/62/1046093662.db2.gz CEGISDAOYVRTNC-UHFFFAOYSA-N 0 3 326.337 4.200 20 10 EICDHN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000770304399 1046176300 /nfs/dbraw/zinc/17/63/00/1046176300.db2.gz MOTXOHFRFVKEBS-OAQYLSRUSA-N 0 3 338.499 4.056 20 10 EICDHN COC(=O)CC1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCCC1 ZINC000793230064 1046177457 /nfs/dbraw/zinc/17/74/57/1046177457.db2.gz DJIUTWNDFCBEAE-UHFFFAOYSA-N 0 3 339.435 4.025 20 10 EICDHN CCOc1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000793270479 1046195849 /nfs/dbraw/zinc/19/58/49/1046195849.db2.gz SGMAMVIBGCHCTG-YJBOKZPZSA-N 0 3 329.415 4.356 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3ccc(F)cc32)c1[O-] ZINC000793309455 1046199937 /nfs/dbraw/zinc/19/99/37/1046199937.db2.gz NIEOXGKKYDMVAT-INIZCTEOSA-N 0 3 335.806 4.361 20 10 EICDHN CCOc1ccc(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000770741447 1046267062 /nfs/dbraw/zinc/26/70/62/1046267062.db2.gz LOAJTJRMSZRLOQ-UHFFFAOYSA-N 0 3 329.415 4.043 20 10 EICDHN Cc1cc([C@H](C)NCc2ccc(N(C)C3CCCCC3)cc2)n(C)n1 ZINC000793530173 1046297219 /nfs/dbraw/zinc/29/72/19/1046297219.db2.gz WIEJBZKXQFTKRW-KRWDZBQOSA-N 0 3 340.515 4.348 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2c1c(F)ccc2[O-] ZINC000785569176 1046720319 /nfs/dbraw/zinc/72/03/19/1046720319.db2.gz AZCLAXKKEWEORG-ONERCXAPSA-N 0 3 331.362 4.332 20 10 EICDHN C[C@H]1C[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2c1c(F)ccc2[O-] ZINC000785569174 1046721838 /nfs/dbraw/zinc/72/18/38/1046721838.db2.gz AZCLAXKKEWEORG-NZVBXONLSA-N 0 3 331.362 4.332 20 10 EICDHN CC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148161 1047172803 /nfs/dbraw/zinc/17/28/03/1047172803.db2.gz CVUGZYVMBIUOPE-YJBOKZPZSA-N 0 3 338.923 4.454 20 10 EICDHN CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593638 1047240439 /nfs/dbraw/zinc/24/04/39/1047240439.db2.gz HEVWHMDXGMMTQI-KBPBESRZSA-N 0 3 344.421 4.182 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c([O-])c1 ZINC000788776773 1047311802 /nfs/dbraw/zinc/31/18/02/1047311802.db2.gz NCLZEBVHCKKLQQ-NPPFBWRTSA-N 0 3 341.495 4.289 20 10 EICDHN C[C@H](NCc1ccncc1OCCC(C)(C)C)c1ccccc1O ZINC000806657758 1047336225 /nfs/dbraw/zinc/33/62/25/1047336225.db2.gz FJQQMDGASKFOJA-HNNXBMFYSA-N 0 3 328.456 4.453 20 10 EICDHN CCOc1ccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c([O-])c1 ZINC000824469116 1047877144 /nfs/dbraw/zinc/87/71/44/1047877144.db2.gz XINFSAZISBGCPP-SFHVURJKSA-N 0 3 333.378 4.236 20 10 EICDHN CCN(CC)c1ccc(CNCc2ccc(OC)c(OC)c2C)cc1 ZINC000808380427 1047881691 /nfs/dbraw/zinc/88/16/91/1047881691.db2.gz IYQPZPDSQYJVFG-UHFFFAOYSA-N 0 3 342.483 4.148 20 10 EICDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066053 1047940705 /nfs/dbraw/zinc/94/07/05/1047940705.db2.gz GGSNPLSNAIYWAK-CYBMUJFWSA-N 0 3 338.234 4.052 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c1[O-] ZINC000808680130 1048035032 /nfs/dbraw/zinc/03/50/32/1048035032.db2.gz CQRYAAYWZZHBAN-UONOGXRCSA-N 0 3 331.843 4.256 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCNc2ccccn2)c1[O-] ZINC000808692447 1048038977 /nfs/dbraw/zinc/03/89/77/1048038977.db2.gz URFIQHHHTPAECS-CQSZACIVSA-N 0 3 333.863 4.292 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](c2cccs2)N(C)C)c1[O-] ZINC000808672841 1048044934 /nfs/dbraw/zinc/04/49/34/1048044934.db2.gz SGUBORPCOWSAIY-SWLSCSKDSA-N 0 3 338.904 4.369 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1[O-] ZINC000808673378 1048046148 /nfs/dbraw/zinc/04/61/48/1048046148.db2.gz OBHVEICSYSZBAN-ZBEGNZNMSA-N 0 3 340.250 4.392 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1[O-] ZINC000808675736 1048048209 /nfs/dbraw/zinc/04/82/09/1048048209.db2.gz QQJXYTQOZGLVAT-CQSZACIVSA-N 0 3 345.874 4.200 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000808706275 1048051943 /nfs/dbraw/zinc/05/19/43/1048051943.db2.gz GKLPHZBMRYCJJM-VBQJREDUSA-N 0 3 325.880 4.336 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c1[O-] ZINC000808718435 1048066562 /nfs/dbraw/zinc/06/65/62/1048066562.db2.gz SOZZFANWWYJTDM-SNVBAGLBSA-N 0 3 342.773 4.201 20 10 EICDHN CC[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccccc1[O-] ZINC000155115679 1048184953 /nfs/dbraw/zinc/18/49/53/1048184953.db2.gz NSGOMFNORGJFRD-SFHVURJKSA-N 0 3 326.440 4.350 20 10 EICDHN CC[C@H](NCc1cccnc1OC1CCCC1)c1ccccc1O ZINC000155115679 1048184961 /nfs/dbraw/zinc/18/49/61/1048184961.db2.gz NSGOMFNORGJFRD-SFHVURJKSA-N 0 3 326.440 4.350 20 10 EICDHN Cc1cc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)ccc1N(C)C ZINC000815114065 1048328933 /nfs/dbraw/zinc/32/89/33/1048328933.db2.gz NMTCAHMMILDCKW-JKSUJKDBSA-N 0 3 327.299 4.077 20 10 EICDHN Cc1cc(Cl)cc(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000815114685 1048331262 /nfs/dbraw/zinc/33/12/62/1048331262.db2.gz BDDKTLKIOQMVRB-UHFFFAOYSA-N 0 3 346.927 4.491 20 10 EICDHN COCc1ccc([C@H]2CCCN2Cc2ccc(N(C)C)c(C)c2)o1 ZINC000815094395 1048341043 /nfs/dbraw/zinc/34/10/43/1048341043.db2.gz KQUGVWLILWYUOU-LJQANCHMSA-N 0 3 328.456 4.138 20 10 EICDHN CCOc1c(F)cc(CN(CC)Cc2ccc(N(C)C)cc2)cc1F ZINC001144031375 1048363126 /nfs/dbraw/zinc/36/31/26/1048363126.db2.gz CPNAHUAQCKVIHC-UHFFFAOYSA-N 0 3 348.437 4.452 20 10 EICDHN COc1ccc(CN[C@H](C)c2ccc(-n3cccn3)c(F)c2)cc1C ZINC000815146201 1048369150 /nfs/dbraw/zinc/36/91/50/1048369150.db2.gz CTWFKQPWEWJADC-OAHLLOKOSA-N 0 3 339.414 4.179 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]CCc2nc3ccccc3s2)c1[O-] ZINC000809728222 1048477418 /nfs/dbraw/zinc/47/74/18/1048477418.db2.gz PEJSSVLGQONSTI-UHFFFAOYSA-N 0 3 332.856 4.296 20 10 EICDHN COCC(C)(C)CN(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731686 1048481707 /nfs/dbraw/zinc/48/17/07/1048481707.db2.gz NRKRBOWQAQCOSH-UHFFFAOYSA-N 0 3 330.472 4.020 20 10 EICDHN CC(C)OCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815553719 1048504732 /nfs/dbraw/zinc/50/47/32/1048504732.db2.gz IDTJQQISKMGYKV-FQEVSTJZSA-N 0 3 327.468 4.471 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCNc1ccccn1 ZINC000815582484 1048520845 /nfs/dbraw/zinc/52/08/45/1048520845.db2.gz HSTXQVHQLWAOBC-FQEVSTJZSA-N 0 3 347.462 4.163 20 10 EICDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])[C@@H](C)c1cccnc1 ZINC000809766495 1048524664 /nfs/dbraw/zinc/52/46/64/1048524664.db2.gz YZTWBVGLSOCFOH-ZDUSSCGKSA-N 0 3 349.272 4.441 20 10 EICDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])[C@@H](C)c1cccnc1 ZINC000809766495 1048524672 /nfs/dbraw/zinc/52/46/72/1048524672.db2.gz YZTWBVGLSOCFOH-ZDUSSCGKSA-N 0 3 349.272 4.441 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000809789633 1048534735 /nfs/dbraw/zinc/53/47/35/1048534735.db2.gz UCPAOHSQXPMKKK-LEWJYISDSA-N 0 3 337.394 4.096 20 10 EICDHN C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)c1ccccc1[O-] ZINC000815656156 1048560335 /nfs/dbraw/zinc/56/03/35/1048560335.db2.gz MRADXFAJMUYOGQ-AWEZNQCLSA-N 0 3 343.496 4.110 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815643078 1048567446 /nfs/dbraw/zinc/56/74/46/1048567446.db2.gz SMMUZKQZNGDKJI-OLZOCXBDSA-N 0 3 343.377 4.268 20 10 EICDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000810262138 1048712759 /nfs/dbraw/zinc/71/27/59/1048712759.db2.gz MEFSXUJNDIHAOA-HZPDHXFCSA-N 0 3 338.451 4.321 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000810247418 1048726622 /nfs/dbraw/zinc/72/66/22/1048726622.db2.gz WCIOWCYNRGUXRU-QMIHWGKISA-N 0 3 345.870 4.171 20 10 EICDHN CC[C@@H]([NH2+]C[C@@]1(CC)OCCc2ccccc21)c1ccccc1[O-] ZINC000810243559 1048727081 /nfs/dbraw/zinc/72/70/81/1048727081.db2.gz QDWPQAHOCOQVJO-TZIWHRDSSA-N 0 3 325.452 4.311 20 10 EICDHN CC[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(C)cc1[O-] ZINC000810253285 1048731795 /nfs/dbraw/zinc/73/17/95/1048731795.db2.gz QEUCVPIRDOMFIS-APWZRJJASA-N 0 3 331.481 4.291 20 10 EICDHN CC[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(C)cc1[O-] ZINC000810253287 1048732172 /nfs/dbraw/zinc/73/21/72/1048732172.db2.gz QEUCVPIRDOMFIS-QFBILLFUSA-N 0 3 331.481 4.291 20 10 EICDHN Cc1nn(-c2cccc(C)c2)cc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000845957084 1048779203 /nfs/dbraw/zinc/77/92/03/1048779203.db2.gz QFZJTEGVXIZVRB-QGZVFWFLSA-N 0 3 348.494 4.406 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccccc1-c1ccnn1C ZINC000816499420 1048820447 /nfs/dbraw/zinc/82/04/47/1048820447.db2.gz PYZWGJUXVSLDRK-UHFFFAOYSA-N 0 3 335.451 4.205 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1-c1ccnn1C ZINC000816499420 1048820450 /nfs/dbraw/zinc/82/04/50/1048820450.db2.gz PYZWGJUXVSLDRK-UHFFFAOYSA-N 0 3 335.451 4.205 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816657408 1048848464 /nfs/dbraw/zinc/84/84/64/1048848464.db2.gz RBNMQDACWQXYIE-QFIPXVFZSA-N 0 3 349.474 4.450 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816657408 1048848469 /nfs/dbraw/zinc/84/84/69/1048848469.db2.gz RBNMQDACWQXYIE-QFIPXVFZSA-N 0 3 349.474 4.450 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2cc(C(C)C)ccc2OC)c1 ZINC000846845466 1048922333 /nfs/dbraw/zinc/92/23/33/1048922333.db2.gz WPRGWLHKCQBADZ-CQSZACIVSA-N 0 3 329.440 4.384 20 10 EICDHN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CCO1 ZINC000817585781 1049016342 /nfs/dbraw/zinc/01/63/42/1049016342.db2.gz IAAKJRJCTANFHC-IACUBPJLSA-N 0 3 342.277 4.071 20 10 EICDHN COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC001171288927 1049063060 /nfs/dbraw/zinc/06/30/60/1049063060.db2.gz NYUCBTGKGPXJEM-OLZOCXBDSA-N 0 3 331.843 4.262 20 10 EICDHN COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC001171288931 1049064060 /nfs/dbraw/zinc/06/40/60/1049064060.db2.gz NYUCBTGKGPXJEM-STQMWFEESA-N 0 3 331.843 4.262 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1[O-] ZINC000817976332 1049074272 /nfs/dbraw/zinc/07/42/72/1049074272.db2.gz XVADVCAAQKEOIO-IAGOWNOFSA-N 0 3 326.440 4.318 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817985398 1049079884 /nfs/dbraw/zinc/07/98/84/1049079884.db2.gz JTPANQCURQXNOG-WDEREUQCSA-N 0 3 329.271 4.024 20 10 EICDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCc2ccc(Br)cc2C1 ZINC001170885321 1049082712 /nfs/dbraw/zinc/08/27/12/1049082712.db2.gz MBNRJUBYYDXZPN-KRWDZBQOSA-N 0 3 346.268 4.144 20 10 EICDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2ccc(Br)cc2C1 ZINC001170885321 1049082724 /nfs/dbraw/zinc/08/27/24/1049082724.db2.gz MBNRJUBYYDXZPN-KRWDZBQOSA-N 0 3 346.268 4.144 20 10 EICDHN Cc1cnn([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)c1 ZINC000811518902 1049105415 /nfs/dbraw/zinc/10/54/15/1049105415.db2.gz RBGZTRFDXQZQMY-FQEVSTJZSA-N 0 3 333.435 4.011 20 10 EICDHN Cc1cnn([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)c1 ZINC000811518902 1049105426 /nfs/dbraw/zinc/10/54/26/1049105426.db2.gz RBGZTRFDXQZQMY-FQEVSTJZSA-N 0 3 333.435 4.011 20 10 EICDHN CC(C)([NH3+])c1ccccc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168525450 1049343451 /nfs/dbraw/zinc/34/34/51/1049343451.db2.gz FASNXNNELMLXKP-UHFFFAOYSA-N 0 3 341.842 4.400 20 10 EICDHN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773118842 1049591312 /nfs/dbraw/zinc/59/13/12/1049591312.db2.gz QMHNOJUQJRXRKQ-PBHICJAKSA-N 0 3 344.421 4.031 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2cccc(OC)c2OC(C)C)c1 ZINC000813330664 1049752573 /nfs/dbraw/zinc/75/25/73/1049752573.db2.gz CFJJHLCHGXIMFV-AWEZNQCLSA-N 0 3 345.439 4.047 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccccc1[O-] ZINC000179889371 1049791956 /nfs/dbraw/zinc/79/19/56/1049791956.db2.gz NEPVWQRDAABQFH-MEDUHNTESA-N 0 3 332.241 4.493 20 10 EICDHN CC[C@H]1COC(C)(C)CN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001171777857 1049797182 /nfs/dbraw/zinc/79/71/82/1049797182.db2.gz HOERJOWHBGUERO-IBGZPJMESA-N 0 3 330.516 4.375 20 10 EICDHN C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])CN1Cc1ccccc1 ZINC001171735485 1049798002 /nfs/dbraw/zinc/79/80/02/1049798002.db2.gz WZCJQECQFZMISA-JTSKRJEESA-N 0 3 346.474 4.298 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])CN1Cc1ccccc1 ZINC001171735486 1049798497 /nfs/dbraw/zinc/79/84/97/1049798497.db2.gz WZCJQECQFZMISA-VGOFRKELSA-N 0 3 346.474 4.298 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000813884593 1049831268 /nfs/dbraw/zinc/83/12/68/1049831268.db2.gz XGAOFNSCJUDCHC-YJBOKZPZSA-N 0 3 328.431 4.159 20 10 EICDHN CN(C)c1ccc(CN(C)Cc2cc3cc(Cl)cnc3o2)cc1 ZINC000823371832 1049842144 /nfs/dbraw/zinc/84/21/44/1049842144.db2.gz MCGJDANCNGFUCS-UHFFFAOYSA-N 0 3 329.831 4.179 20 10 EICDHN C[C@@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N1CCCCC1 ZINC001178464372 1050477322 /nfs/dbraw/zinc/47/73/22/1050477322.db2.gz XHVHTDDUVAOPCQ-LBPRGKRZSA-N 0 3 331.287 4.053 20 10 EICDHN C[C@@H](CCNCc1cc(Cl)cc(Cl)c1[O-])[NH+]1CCCCC1 ZINC001178464372 1050477331 /nfs/dbraw/zinc/47/73/31/1050477331.db2.gz XHVHTDDUVAOPCQ-LBPRGKRZSA-N 0 3 331.287 4.053 20 10 EICDHN CCC[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccccc1 ZINC001178634664 1050522226 /nfs/dbraw/zinc/52/22/26/1050522226.db2.gz QDMOQDQKWHGBEL-UYAOXDASSA-N 0 3 348.437 4.023 20 10 EICDHN Cc1cc(N(C)C)ccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001179913941 1050833597 /nfs/dbraw/zinc/83/35/97/1050833597.db2.gz NUBXQZVAXYMQPE-UHFFFAOYSA-N 0 3 339.439 4.134 20 10 EICDHN COc1ccc(O)c(CN[C@H](CC(F)(F)F)c2ccccc2C)c1 ZINC000775193474 1050835119 /nfs/dbraw/zinc/83/51/19/1050835119.db2.gz PRGHVSRYMRKGEI-MRXNPFEDSA-N 0 3 339.357 4.493 20 10 EICDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c([O-])c1 ZINC001180043148 1050864578 /nfs/dbraw/zinc/86/45/78/1050864578.db2.gz OTBPJXKVTFTOAG-GOSISDBHSA-N 0 3 325.452 4.306 20 10 EICDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]2CCc2ccccc2)c([O-])c1 ZINC001180043148 1050864585 /nfs/dbraw/zinc/86/45/85/1050864585.db2.gz OTBPJXKVTFTOAG-GOSISDBHSA-N 0 3 325.452 4.306 20 10 EICDHN CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(C)cc1O ZINC001180067904 1050873432 /nfs/dbraw/zinc/87/34/32/1050873432.db2.gz HGBJDWKQRPXBGM-IBGZPJMESA-N 0 3 335.451 4.407 20 10 EICDHN Cc1ccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC001180194882 1050928340 /nfs/dbraw/zinc/92/83/40/1050928340.db2.gz NAAUCZFYXRLMOE-TZIWHRDSSA-N 0 3 325.452 4.300 20 10 EICDHN Cc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC001180194882 1050928355 /nfs/dbraw/zinc/92/83/55/1050928355.db2.gz NAAUCZFYXRLMOE-TZIWHRDSSA-N 0 3 325.452 4.300 20 10 EICDHN COc1ccc(O)c(CNCc2ccc(-c3ccccc3)cc2OC)c1 ZINC000183060318 1050951793 /nfs/dbraw/zinc/95/17/93/1050951793.db2.gz AVHIQJMNRVTYIY-UHFFFAOYSA-N 0 3 349.430 4.366 20 10 EICDHN CCOc1cc2c(cc1C[NH2+][C@H](CC)c1ccccc1[O-])O[C@@H](C)C2 ZINC000183349192 1051095429 /nfs/dbraw/zinc/09/54/29/1051095429.db2.gz LUUMCYPTQKMUHK-KBXCAEBGSA-N 0 3 341.451 4.355 20 10 EICDHN C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775363866 1051129777 /nfs/dbraw/zinc/12/97/77/1051129777.db2.gz MZHNFQWSVUENCI-LBPRGKRZSA-N 0 3 333.819 4.165 20 10 EICDHN CCOc1cc(CCC[NH2+][C@@H](C)c2ccccc2[O-])ccc1OC ZINC000183520822 1051145269 /nfs/dbraw/zinc/14/52/69/1051145269.db2.gz GUFGRWNZELAEFB-HNNXBMFYSA-N 0 3 329.440 4.083 20 10 EICDHN Cc1ccc(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)c([O-])c1 ZINC001181101995 1051148312 /nfs/dbraw/zinc/14/83/12/1051148312.db2.gz HXBIVGRHKDWQEA-PMACEKPBSA-N 0 3 325.452 4.174 20 10 EICDHN CC[C@H](NCc1cc(-c2ccccc2OC)no1)c1ccccc1O ZINC000775411199 1051274956 /nfs/dbraw/zinc/27/49/56/1051274956.db2.gz CUYFRZXLAOVWRI-KRWDZBQOSA-N 0 3 338.407 4.297 20 10 EICDHN CC[C@H]([NH2+]Cc1cc(-c2ccccc2OC)no1)c1ccccc1[O-] ZINC000775411199 1051274966 /nfs/dbraw/zinc/27/49/66/1051274966.db2.gz CUYFRZXLAOVWRI-KRWDZBQOSA-N 0 3 338.407 4.297 20 10 EICDHN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])CN1CCCC1 ZINC000774133109 1051477007 /nfs/dbraw/zinc/47/70/07/1051477007.db2.gz WKIFMHNRVYTRSB-RYUDHWBXSA-N 0 3 331.287 4.082 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccccc1[O-] ZINC000775483202 1051550859 /nfs/dbraw/zinc/55/08/59/1051550859.db2.gz OXNFZFCZMRCKQU-MSOLQXFVSA-N 0 3 332.875 4.389 20 10 EICDHN C[C@H](NCc1cn2cc(Cl)cc(Cl)c2n1)c1ccccc1O ZINC001175419510 1051581632 /nfs/dbraw/zinc/58/16/32/1051581632.db2.gz WHLPIGOAJUGKFH-JTQLQIEISA-N 0 3 336.222 4.198 20 10 EICDHN Cc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000774483400 1051613154 /nfs/dbraw/zinc/61/31/54/1051613154.db2.gz KGHBTFADFOJBRU-DLBZAZTESA-N 0 3 339.483 4.047 20 10 EICDHN Cc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774484870 1051614974 /nfs/dbraw/zinc/61/49/74/1051614974.db2.gz RTDITGWRQMLTFQ-SJORKVTESA-N 0 3 339.483 4.047 20 10 EICDHN COc1cc(Cl)cc(CN2CCc3ccccc3C2(C)C)c1O ZINC001182509030 1051622255 /nfs/dbraw/zinc/62/22/55/1051622255.db2.gz QFLDZOHXLWFBJO-UHFFFAOYSA-N 0 3 331.843 4.348 20 10 EICDHN COc1cccc2c1OCC[C@@H]2NCc1cc(C(C)C)ccc1O ZINC001182635100 1051654112 /nfs/dbraw/zinc/65/41/12/1051654112.db2.gz WLUFRBXQUKNILG-KRWDZBQOSA-N 0 3 327.424 4.138 20 10 EICDHN CC[C@H]([NH2+][C@@H](CC)[C@H](O)c1c(F)cccc1F)c1ccccc1[O-] ZINC000775524528 1051710129 /nfs/dbraw/zinc/71/01/29/1051710129.db2.gz BJZMKVSPHWTXMN-BXWFABGCSA-N 0 3 335.394 4.223 20 10 EICDHN CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000775526889 1051714794 /nfs/dbraw/zinc/71/47/94/1051714794.db2.gz MZOWAUXFMZUHLJ-SFHVURJKSA-N 0 3 328.412 4.364 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000775526602 1051718390 /nfs/dbraw/zinc/71/83/90/1051718390.db2.gz SHJRNSNOLQLHMF-YJBOKZPZSA-N 0 3 328.431 4.241 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@H]2Cc2ccccc2)c1[O-] ZINC001184338518 1051996836 /nfs/dbraw/zinc/99/68/36/1051996836.db2.gz MRZICUCFZZERPD-HUUCEWRRSA-N 0 3 331.843 4.023 20 10 EICDHN C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1cc(F)ccc1[O-] ZINC000184910480 1052294690 /nfs/dbraw/zinc/29/46/90/1052294690.db2.gz UHAUZHDFTIMQDC-JTQLQIEISA-N 0 3 329.293 4.281 20 10 EICDHN Cc1ccc(O)c([C@@H](C)NCc2cccnc2OC2CCCC2)c1 ZINC000185010195 1052360616 /nfs/dbraw/zinc/36/06/16/1052360616.db2.gz INAOLOFFXYSLQP-OAHLLOKOSA-N 0 3 326.440 4.268 20 10 EICDHN Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])N2CCCC2)o1 ZINC000185298108 1052571825 /nfs/dbraw/zinc/57/18/25/1052571825.db2.gz YFKBLKYLNBDACB-WMZOPIPTSA-N 0 3 328.456 4.090 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1cc(F)ccc1[O-] ZINC000185612233 1052657747 /nfs/dbraw/zinc/65/77/47/1052657747.db2.gz NHUNUIROTBCECC-UONOGXRCSA-N 0 3 325.387 4.129 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000186003318 1052841393 /nfs/dbraw/zinc/84/13/93/1052841393.db2.gz OHEXVZREQBEKDX-PXAZEXFGSA-N 0 3 339.357 4.104 20 10 EICDHN COc1cc(CN[C@@H](C)c2cncc(F)c2)c(O)c(C(C)(C)C)c1 ZINC000850242062 1053097682 /nfs/dbraw/zinc/09/76/82/1053097682.db2.gz DHNKDIICUYLQCR-LBPRGKRZSA-N 0 3 332.419 4.083 20 10 EICDHN COc1cc(CNC(C)(C)c2c(C)noc2C)c(O)c(C(C)(C)C)c1 ZINC000850298128 1053109029 /nfs/dbraw/zinc/10/90/29/1053109029.db2.gz GHMSBMCEEQUEKR-UHFFFAOYSA-N 0 3 346.471 4.328 20 10 EICDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(C(F)F)nc1 ZINC000850422891 1053194627 /nfs/dbraw/zinc/19/46/27/1053194627.db2.gz GULUUJBESHANGA-AWEZNQCLSA-N 0 3 331.410 4.470 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2noc3ccccc32)c1[O-] ZINC000850481697 1053253486 /nfs/dbraw/zinc/25/34/86/1053253486.db2.gz AQGQUHOBCCKZPC-LBPRGKRZSA-N 0 3 330.815 4.389 20 10 EICDHN C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)c1ccccc1[O-] ZINC000850484898 1053255300 /nfs/dbraw/zinc/25/53/00/1053255300.db2.gz UDAJRRDWZQRPID-GJZGRUSLSA-N 0 3 330.859 4.223 20 10 EICDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCN(c3ccccc3Cl)C1)CC2 ZINC000850484169 1053257845 /nfs/dbraw/zinc/25/78/45/1053257845.db2.gz DJEVWMLIHVIMKF-PBHICJAKSA-N 0 3 342.870 4.149 20 10 EICDHN CC(C)[C@@H](O)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000850555157 1053308823 /nfs/dbraw/zinc/30/88/23/1053308823.db2.gz MKXDSMCGDLAVCV-NUVQDNJRSA-N 0 3 343.442 4.427 20 10 EICDHN CC[C@@H]([NH2+]CCCn1c(C)nc2ccccc21)c1ccc(C)cc1[O-] ZINC000794794855 1053380182 /nfs/dbraw/zinc/38/01/82/1053380182.db2.gz NMKVWVKYFZZBJU-GOSISDBHSA-N 0 3 337.467 4.490 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794804983 1053391903 /nfs/dbraw/zinc/39/19/03/1053391903.db2.gz OPICOQQPUCOLFX-MOPGFXCFSA-N 0 3 342.483 4.480 20 10 EICDHN COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000794822819 1053438191 /nfs/dbraw/zinc/43/81/91/1053438191.db2.gz CNRRDABQXYXPKL-HKUYNNGSSA-N 0 3 327.468 4.389 20 10 EICDHN COc1cc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)sn1 ZINC000851771255 1053514630 /nfs/dbraw/zinc/51/46/30/1053514630.db2.gz ZUXABGLBNVUALB-UHFFFAOYSA-N 0 3 332.469 4.192 20 10 EICDHN COc1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)sn1 ZINC000851771255 1053514646 /nfs/dbraw/zinc/51/46/46/1053514646.db2.gz ZUXABGLBNVUALB-UHFFFAOYSA-N 0 3 332.469 4.192 20 10 EICDHN CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000121083007 1053752021 /nfs/dbraw/zinc/75/20/21/1053752021.db2.gz RKGCSNFRYBRNMG-NVXWUHKLSA-N 0 3 348.487 4.080 20 10 EICDHN CC[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000866548908 1053780866 /nfs/dbraw/zinc/78/08/66/1053780866.db2.gz VRFDDIHESIZZTQ-UXLLHSPISA-N 0 3 348.487 4.045 20 10 EICDHN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1Cl ZINC000775830639 1054094502 /nfs/dbraw/zinc/09/45/02/1054094502.db2.gz LLDAAJFZGFIGPE-AWEZNQCLSA-N 0 3 345.874 4.004 20 10 EICDHN Cc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833018 1054110522 /nfs/dbraw/zinc/11/05/22/1054110522.db2.gz FSLREQKTZSMHKA-AWEZNQCLSA-N 0 3 345.874 4.004 20 10 EICDHN CCN(CC)c1ccc(CNCc2cc(F)ccc2N(C)C)cc1 ZINC001199403278 1054406488 /nfs/dbraw/zinc/40/64/88/1054406488.db2.gz PLRPRCXTGQVWLL-UHFFFAOYSA-N 0 3 329.463 4.028 20 10 EICDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC001201742406 1054893279 /nfs/dbraw/zinc/89/32/79/1054893279.db2.gz NTQZMQSHRXWGSU-HQMUEHRGSA-N 0 3 340.442 4.408 20 10 EICDHN CN(C)c1ccc(/C=C/CN[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC001201742405 1054893504 /nfs/dbraw/zinc/89/35/04/1054893504.db2.gz NTQZMQSHRXWGSU-GECPCNCSSA-N 0 3 340.442 4.408 20 10 EICDHN CCN(C)c1ccc([C@@H](C)NC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000777233769 1055027714 /nfs/dbraw/zinc/02/77/14/1055027714.db2.gz CTYKZYNMBOGJTF-OAHLLOKOSA-N 0 3 338.451 4.211 20 10 EICDHN Cc1ccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877336570 1055043349 /nfs/dbraw/zinc/04/33/49/1055043349.db2.gz KNAGVWVSEADRNA-AZUAARDMSA-N 0 3 329.415 4.192 20 10 EICDHN Cc1ccc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877336570 1055043360 /nfs/dbraw/zinc/04/33/60/1055043360.db2.gz KNAGVWVSEADRNA-AZUAARDMSA-N 0 3 329.415 4.192 20 10 EICDHN CCCCCn1cc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])c(C)n1 ZINC000776252281 1055058652 /nfs/dbraw/zinc/05/86/52/1055058652.db2.gz AOHZMQRGPINGMZ-UHFFFAOYSA-N 0 3 335.879 4.339 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CC2(C(F)(F)F)CCCC2)c1[O-] ZINC000862536047 1055079727 /nfs/dbraw/zinc/07/97/27/1055079727.db2.gz FJSXSIMIFZZSAY-UHFFFAOYSA-N 0 3 337.769 4.267 20 10 EICDHN CC(C)n1ncc2cc(CN[C@@H](C)c3ccccc3O)c(Cl)nc21 ZINC000877757358 1055114011 /nfs/dbraw/zinc/11/40/11/1055114011.db2.gz SSYLYVLYUNPTIT-LBPRGKRZSA-N 0 3 344.846 4.222 20 10 EICDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1[O-] ZINC000877758076 1055117953 /nfs/dbraw/zinc/11/79/53/1055117953.db2.gz HXDGGQOUAOSQCE-HKUYNNGSSA-N 0 3 336.479 4.240 20 10 EICDHN Cc1ccc(CCC[N@H+](Cc2ccco2)Cc2ccccc2[O-])cn1 ZINC000776266449 1055120231 /nfs/dbraw/zinc/12/02/31/1055120231.db2.gz VPOWHNGZOBDXJA-UHFFFAOYSA-N 0 3 336.435 4.324 20 10 EICDHN Cc1ccc(CCC[N@@H+](Cc2ccco2)Cc2ccccc2[O-])cn1 ZINC000776266449 1055120240 /nfs/dbraw/zinc/12/02/40/1055120240.db2.gz VPOWHNGZOBDXJA-UHFFFAOYSA-N 0 3 336.435 4.324 20 10 EICDHN CCCN(CCC)c1ccc(CNC(C)(C)c2cnn(C)c2)cc1 ZINC000742373403 1058599295 /nfs/dbraw/zinc/59/92/95/1058599295.db2.gz BJDLQVGVXSALMN-UHFFFAOYSA-N 0 3 328.504 4.071 20 10 EICDHN C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])N(C)Cc1ccccc1 ZINC000379640264 1059707330 /nfs/dbraw/zinc/70/73/30/1059707330.db2.gz BNPDNRQLUQFZLV-CVEARBPZSA-N 0 3 330.447 4.093 20 10 EICDHN C[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCN1Cc1ccccc1 ZINC000379649812 1059748018 /nfs/dbraw/zinc/74/80/18/1059748018.db2.gz PUGPFGWSOHKWKV-DOTOQJQBSA-N 0 3 344.886 4.188 20 10 EICDHN COCC[N@H+](CCc1ccccc1)Cc1c([O-])ccc2ccccc21 ZINC000746050918 1059984006 /nfs/dbraw/zinc/98/40/06/1059984006.db2.gz BHDXBOBHTGLNKG-UHFFFAOYSA-N 0 3 335.447 4.237 20 10 EICDHN COCC[N@@H+](CCc1ccccc1)Cc1c([O-])ccc2ccccc21 ZINC000746050918 1059984030 /nfs/dbraw/zinc/98/40/30/1059984030.db2.gz BHDXBOBHTGLNKG-UHFFFAOYSA-N 0 3 335.447 4.237 20 10 EICDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(C)cc(C)c1 ZINC001169753929 1060939275 /nfs/dbraw/zinc/93/92/75/1060939275.db2.gz DNGJXNMOVRMBFP-OAQYLSRUSA-N 0 3 327.468 4.345 20 10 EICDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(C)cc(C)c1 ZINC001169753929 1060939293 /nfs/dbraw/zinc/93/92/93/1060939293.db2.gz DNGJXNMOVRMBFP-OAQYLSRUSA-N 0 3 327.468 4.345 20 10 EICDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001169753911 1060939428 /nfs/dbraw/zinc/93/94/28/1060939428.db2.gz DEEOVMGUYGZYSR-GOEBONIOSA-N 0 3 331.378 4.104 20 10 EICDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001169753911 1060939448 /nfs/dbraw/zinc/93/94/48/1060939448.db2.gz DEEOVMGUYGZYSR-GOEBONIOSA-N 0 3 331.378 4.104 20 10 EICDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001169753913 1060941552 /nfs/dbraw/zinc/94/15/52/1060941552.db2.gz DEEOVMGUYGZYSR-ZBFHGGJFSA-N 0 3 331.378 4.104 20 10 EICDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001169753913 1060941577 /nfs/dbraw/zinc/94/15/77/1060941577.db2.gz DEEOVMGUYGZYSR-ZBFHGGJFSA-N 0 3 331.378 4.104 20 10 EICDHN CCC[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1[O-] ZINC000103479517 1061040671 /nfs/dbraw/zinc/04/06/71/1061040671.db2.gz FEHGUMRNWNSJLJ-UHFFFAOYSA-N 0 3 346.858 4.286 20 10 EICDHN CCC[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1[O-] ZINC000103479517 1061040676 /nfs/dbraw/zinc/04/06/76/1061040676.db2.gz FEHGUMRNWNSJLJ-UHFFFAOYSA-N 0 3 346.858 4.286 20 10 EICDHN Cc1ccn2cc(CNCc3cc(-c4ccccc4)ccc3O)nc2c1 ZINC000729681051 1032140196 /nfs/dbraw/zinc/14/01/96/1032140196.db2.gz QJUXKOITNRBQGK-UHFFFAOYSA-N 0 3 343.430 4.305 20 10 EICDHN Cc1cc(CN[C@H](C)c2cn(C)nc2C)c(C)n1-c1cccc(C)c1 ZINC000729681240 1032141094 /nfs/dbraw/zinc/14/10/94/1032141094.db2.gz YLDYEPJNPNQNBQ-MRXNPFEDSA-N 0 3 336.483 4.295 20 10 EICDHN Cc1cc(CN[C@@H](C)c2cn(C)nc2C)c(C)n1-c1cccc(C)c1 ZINC000729681239 1032142255 /nfs/dbraw/zinc/14/22/55/1032142255.db2.gz YLDYEPJNPNQNBQ-INIZCTEOSA-N 0 3 336.483 4.295 20 10 EICDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000072727128 1021084246 /nfs/dbraw/zinc/08/42/46/1021084246.db2.gz LJQFSLXRJIWVLS-INIZCTEOSA-N 0 3 336.435 4.120 20 10 EICDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1 ZINC000078973726 1021128598 /nfs/dbraw/zinc/12/85/98/1021128598.db2.gz NJONOIAYQFKHTF-ZDUSSCGKSA-N 0 3 336.888 4.089 20 10 EICDHN CC[C@@H]([NH2+][C@H](CC)c1ccccc1[O-])c1ccc2c(c1)OCCO2 ZINC000155267900 1021514514 /nfs/dbraw/zinc/51/45/14/1021514514.db2.gz BWAVGEKHHPTUMC-IAGOWNOFSA-N 0 3 327.424 4.355 20 10 EICDHN CC[C@@H](NCc1nc2cccc(Cl)c2n1C)c1ccc(C)cc1O ZINC000279942848 1033009640 /nfs/dbraw/zinc/00/96/40/1033009640.db2.gz BHDXNHKGPXWYET-OAHLLOKOSA-N 0 3 343.858 4.482 20 10 EICDHN CC[C@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000310871060 1022531136 /nfs/dbraw/zinc/53/11/36/1022531136.db2.gz LZPYDMSRPYFDHK-VYDXJSESSA-N 0 3 348.487 4.126 20 10 EICDHN CC[C@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000310942361 1022669638 /nfs/dbraw/zinc/66/96/38/1022669638.db2.gz WOHGNINCJZPJFJ-RBBKRZOGSA-N 0 3 338.495 4.345 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2nc(-c3ccccc3)no2)c([O-])c1 ZINC000376891525 1023330494 /nfs/dbraw/zinc/33/04/94/1023330494.db2.gz BVGHHFFEPJPVGT-HUUCEWRRSA-N 0 3 337.423 4.032 20 10 EICDHN CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]Cc1ccccc1[O-] ZINC000892790470 1023404225 /nfs/dbraw/zinc/40/42/25/1023404225.db2.gz CKZGHEYFKIGMPD-UHFFFAOYSA-N 0 3 334.441 4.091 20 10 EICDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178229080 1023853561 /nfs/dbraw/zinc/85/35/61/1023853561.db2.gz UPJMLVGOFGMGQB-OAHLLOKOSA-N 0 3 327.428 4.292 20 10 EICDHN CCN(Cc1ccccc1)c1ccc(CNCc2cnn(C)c2C)cc1 ZINC000156560696 1024519644 /nfs/dbraw/zinc/51/96/44/1024519644.db2.gz BZGJQNYECSRJAO-UHFFFAOYSA-N 0 3 348.494 4.045 20 10 EICDHN COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)C2(C)C)c1O ZINC000318935278 1026532366 /nfs/dbraw/zinc/53/23/66/1026532366.db2.gz XXPWRCLLTMKCCX-LBPRGKRZSA-N 0 3 337.769 4.217 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccccc1[O-] ZINC000281207415 1028440443 /nfs/dbraw/zinc/44/04/43/1028440443.db2.gz SJTJQEFCMJGASB-RISCZKNCSA-N 0 3 335.245 4.352 20 10 EICDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000281290062 1028509652 /nfs/dbraw/zinc/50/96/52/1028509652.db2.gz YAIVSKRAVCCCOE-NWDGAFQWSA-N 0 3 335.245 4.270 20 10 EICDHN CC[C@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC000156966734 1028882695 /nfs/dbraw/zinc/88/26/95/1028882695.db2.gz DOJVKZDSPJGGHU-YOEHRIQHSA-N 0 3 337.423 4.287 20 10 EICDHN C[C@@H]1CCCN(c2ccc(CNCc3ccncc3)cc2Cl)C1 ZINC000281943017 1028992234 /nfs/dbraw/zinc/99/22/34/1028992234.db2.gz IEMBLOADHNIHCC-OAHLLOKOSA-N 0 3 329.875 4.261 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1c[nH]nc1-c1cccs1 ZINC000475196395 1029417750 /nfs/dbraw/zinc/41/77/50/1029417750.db2.gz QDDKICVWUNPHDL-UHFFFAOYSA-N 0 3 336.464 4.228 20 10 EICDHN CCOc1ccc(CNCc2c(C)c3ccccc3n2C)cc1F ZINC000475204646 1029421997 /nfs/dbraw/zinc/42/19/97/1029421997.db2.gz SKGZDQWSABPSBB-UHFFFAOYSA-N 0 3 326.415 4.314 20 10 EICDHN C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1ccccc1[O-] ZINC000183530022 1030010362 /nfs/dbraw/zinc/01/03/62/1030010362.db2.gz IGKXQFPAQINUBS-KHYOSLBOSA-N 0 3 330.497 4.187 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCNC12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000530213511 1030224152 /nfs/dbraw/zinc/22/41/52/1030224152.db2.gz ADDYXVCPOLDJOZ-CHWSQXEVSA-N 0 3 329.271 4.024 20 10 EICDHN CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000310051353 1030997670 /nfs/dbraw/zinc/99/76/70/1030997670.db2.gz IZXHHFHKVOZFAN-LSDHHAIUSA-N 0 3 336.476 4.126 20 10 EICDHN CC[C@@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccc(C)cc1[O-] ZINC000528042780 1031055761 /nfs/dbraw/zinc/05/57/61/1031055761.db2.gz ISGQOMOWAKRSIO-XLIONFOSSA-N 0 3 326.440 4.296 20 10 EICDHN COc1ccc([C@H]([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)C2CC2)cn1 ZINC000528043649 1031059801 /nfs/dbraw/zinc/05/98/01/1031059801.db2.gz OZTVDKODSXACIJ-LQGCGHSZSA-N 0 3 342.414 4.224 20 10 EICDHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000171133214 1031190784 /nfs/dbraw/zinc/19/07/84/1031190784.db2.gz FPXUNMXTGRXZIW-IBGZPJMESA-N 0 3 346.421 4.042 20 10 EICDHN C[S@](=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000093319356 1031861393 /nfs/dbraw/zinc/86/13/93/1031861393.db2.gz FIBUAKGCFPTDFP-XMMPIXPASA-N 0 3 343.492 4.074 20 10 EICDHN C[S@](=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000093319356 1031861401 /nfs/dbraw/zinc/86/14/01/1031861401.db2.gz FIBUAKGCFPTDFP-XMMPIXPASA-N 0 3 343.492 4.074 20 10 EICDHN CCN(CC)c1ccc(CNCc2cccc3cc[nH]c32)cc1F ZINC000236963185 1033720299 /nfs/dbraw/zinc/72/02/99/1033720299.db2.gz MQLTZLJXVMMGHF-UHFFFAOYSA-N 0 3 325.431 4.443 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000761202799 1036029903 /nfs/dbraw/zinc/02/99/03/1036029903.db2.gz MLLLYZNVUIWAJW-KRWDZBQOSA-N 0 3 346.858 4.131 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000761202799 1036029928 /nfs/dbraw/zinc/02/99/28/1036029928.db2.gz MLLLYZNVUIWAJW-KRWDZBQOSA-N 0 3 346.858 4.131 20 10 EICDHN COc1cc(Cl)cc(CN2CCC[C@H](Nc3ccccc3)C2)c1O ZINC000761202799 1036029937 /nfs/dbraw/zinc/02/99/37/1036029937.db2.gz MLLLYZNVUIWAJW-KRWDZBQOSA-N 0 3 346.858 4.131 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1[O-] ZINC000761216390 1036158425 /nfs/dbraw/zinc/15/84/25/1036158425.db2.gz QEQOAVRHQMMEKH-HNYWDRBLSA-N 0 3 347.842 4.097 20 10 EICDHN CCOCCOCc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000273377067 1037441670 /nfs/dbraw/zinc/44/16/70/1037441670.db2.gz HNAHVMOTQUMUEW-KRWDZBQOSA-N 0 3 343.467 4.105 20 10 EICDHN CC[C@@H](Nc1ccccc1N1CCN(CC)CC1)c1ccccc1O ZINC000157484854 1037592305 /nfs/dbraw/zinc/59/23/05/1037592305.db2.gz WAENHQVSGVJOSK-GOSISDBHSA-N 0 3 339.483 4.097 20 10 EICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C(F)(F)F)CC3)c2c1 ZINC000173419581 1038323354 /nfs/dbraw/zinc/32/33/54/1038323354.db2.gz OTTQOMVJASGPHX-UHFFFAOYSA-N 0 3 339.357 4.328 20 10 EICDHN COc1cc(C)cc(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000895137559 1043276172 /nfs/dbraw/zinc/27/61/72/1043276172.db2.gz NJBGYOCRULNQAN-INIZCTEOSA-N 0 3 345.414 4.240 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCOc1ccccc1F)C1CCCC1 ZINC000731847120 1043834800 /nfs/dbraw/zinc/83/48/00/1043834800.db2.gz DGSUYZTYKMOBGY-UHFFFAOYSA-N 0 3 329.415 4.355 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCOc1ccccc1F)C1CCCC1 ZINC000731847120 1043834803 /nfs/dbraw/zinc/83/48/03/1043834803.db2.gz DGSUYZTYKMOBGY-UHFFFAOYSA-N 0 3 329.415 4.355 20 10 EICDHN COC(=O)c1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000732205020 1043887926 /nfs/dbraw/zinc/88/79/26/1043887926.db2.gz JAKGYALRNJBRBI-UHFFFAOYSA-N 0 3 339.435 4.124 20 10 EICDHN COC(=O)c1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000732205020 1043887927 /nfs/dbraw/zinc/88/79/27/1043887927.db2.gz JAKGYALRNJBRBI-UHFFFAOYSA-N 0 3 339.435 4.124 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2ccc3ccc(Cl)cc3n2)c1 ZINC001168711799 1044149672 /nfs/dbraw/zinc/14/96/72/1044149672.db2.gz GGGVCEVRJPDXAR-GFCCVEGCSA-N 0 3 342.826 4.453 20 10 EICDHN CCCCOc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000733324657 1044188461 /nfs/dbraw/zinc/18/84/61/1044188461.db2.gz QPVXEAYGDMVUSA-UHFFFAOYSA-N 0 3 330.447 4.360 20 10 EICDHN CCN(CC)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1F ZINC000733328024 1044195748 /nfs/dbraw/zinc/19/57/48/1044195748.db2.gz KDNPVEMEIJLYCY-UHFFFAOYSA-N 0 3 347.453 4.167 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCSc1ccccc1)C[C@H]1CCCO1 ZINC000735494324 1044832880 /nfs/dbraw/zinc/83/28/80/1044832880.db2.gz XXYQEUXZSRFAPD-GOSISDBHSA-N 0 3 343.492 4.166 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCSc1ccccc1)C[C@H]1CCCO1 ZINC000735494324 1044832882 /nfs/dbraw/zinc/83/28/82/1044832882.db2.gz XXYQEUXZSRFAPD-GOSISDBHSA-N 0 3 343.492 4.166 20 10 EICDHN CCN(Cc1ccccc1)c1ccc(CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000742371918 1045657769 /nfs/dbraw/zinc/65/77/69/1045657769.db2.gz BVNHYPDZCZEGSI-SFHVURJKSA-N 0 3 348.494 4.297 20 10 EICDHN CCN(Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccc(N(C)C)cc1 ZINC000768131983 1045724223 /nfs/dbraw/zinc/72/42/23/1045724223.db2.gz FBWYQUGDIPCWAI-UHFFFAOYSA-N 0 3 342.531 4.343 20 10 EICDHN CCOc1cccc(C[N@H+](CC)[C@H](C)Cc2ccc(OC)cc2)c1[O-] ZINC000768249289 1045763716 /nfs/dbraw/zinc/76/37/16/1045763716.db2.gz QJWDPNLUGDSZLG-MRXNPFEDSA-N 0 3 343.467 4.253 20 10 EICDHN CCOc1cccc(C[N@@H+](CC)[C@H](C)Cc2ccc(OC)cc2)c1[O-] ZINC000768249289 1045763743 /nfs/dbraw/zinc/76/37/43/1045763743.db2.gz QJWDPNLUGDSZLG-MRXNPFEDSA-N 0 3 343.467 4.253 20 10 EICDHN CCOc1cccc(CN2CCSC[C@H]2c2ccccc2)c1O ZINC000768249610 1045765050 /nfs/dbraw/zinc/76/50/50/1045765050.db2.gz VYJUEWQWWMNVQW-KRWDZBQOSA-N 0 3 329.465 4.081 20 10 EICDHN COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H](C)c3c1c([O-])ccc3F)CCO2 ZINC000768288156 1045778457 /nfs/dbraw/zinc/77/84/57/1045778457.db2.gz XKNFSMCVXLLGBZ-KNXALSJPSA-N 0 3 343.398 4.202 20 10 EICDHN COc1cccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1OC ZINC000768354352 1045795680 /nfs/dbraw/zinc/79/56/80/1045795680.db2.gz YXLGJCDDFHZDNU-UHFFFAOYSA-N 0 3 342.483 4.180 20 10 EICDHN C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)Cc1ccccc1[O-] ZINC000768874066 1045851664 /nfs/dbraw/zinc/85/16/64/1045851664.db2.gz ZNBSTJBENHDPBN-UHFFFAOYSA-N 0 3 327.758 4.279 20 10 EICDHN C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)Cc1ccccc1[O-] ZINC000768874066 1045851670 /nfs/dbraw/zinc/85/16/70/1045851670.db2.gz ZNBSTJBENHDPBN-UHFFFAOYSA-N 0 3 327.758 4.279 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000768889800 1045853873 /nfs/dbraw/zinc/85/38/73/1045853873.db2.gz CAXPQBIKIRQKHD-SFHVURJKSA-N 0 3 333.435 4.162 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000768889800 1045853880 /nfs/dbraw/zinc/85/38/80/1045853880.db2.gz CAXPQBIKIRQKHD-SFHVURJKSA-N 0 3 333.435 4.162 20 10 EICDHN CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1ccccc1[O-] ZINC000769200667 1045892570 /nfs/dbraw/zinc/89/25/70/1045892570.db2.gz HZUKRYDZDRCQSD-UHFFFAOYSA-N 0 3 339.414 4.334 20 10 EICDHN CCC[N@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1ccccc1[O-] ZINC000769200667 1045892566 /nfs/dbraw/zinc/89/25/66/1045892566.db2.gz HZUKRYDZDRCQSD-UHFFFAOYSA-N 0 3 339.414 4.334 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c([O-])c1 ZINC000769461919 1045981803 /nfs/dbraw/zinc/98/18/03/1045981803.db2.gz ZIQAQYRYQDMMAJ-HXUWFJFHSA-N 0 3 340.467 4.194 20 10 EICDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c([O-])c1 ZINC000769461919 1045981815 /nfs/dbraw/zinc/98/18/15/1045981815.db2.gz ZIQAQYRYQDMMAJ-HXUWFJFHSA-N 0 3 340.467 4.194 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000769519540 1046007328 /nfs/dbraw/zinc/00/73/28/1046007328.db2.gz REXADKGOQJKASF-HXUWFJFHSA-N 0 3 337.463 4.308 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000769519540 1046007318 /nfs/dbraw/zinc/00/73/18/1046007318.db2.gz REXADKGOQJKASF-HXUWFJFHSA-N 0 3 337.463 4.308 20 10 EICDHN COc1ccc(O)c(CN2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC000769558877 1046022057 /nfs/dbraw/zinc/02/20/57/1046022057.db2.gz XMVQWXZBOMDJQB-UHFFFAOYSA-N 0 3 345.389 4.358 20 10 EICDHN CN(C)c1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000769867633 1046086071 /nfs/dbraw/zinc/08/60/71/1046086071.db2.gz MCFVJKGVCHGLES-NRFANRHFSA-N 0 3 336.479 4.245 20 10 EICDHN C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1cc(F)ccc1[O-] ZINC000769984097 1046122223 /nfs/dbraw/zinc/12/22/23/1046122223.db2.gz CRKGWRMMBWPFIP-LBPRGKRZSA-N 0 3 330.378 4.055 20 10 EICDHN CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2ccccc2)ccc1[O-] ZINC000770286875 1046169974 /nfs/dbraw/zinc/16/99/74/1046169974.db2.gz SJCUEKCBCDHGBJ-RTWAWAEBSA-N 0 3 336.479 4.118 20 10 EICDHN CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccccc2)ccc1[O-] ZINC000770286875 1046169969 /nfs/dbraw/zinc/16/99/69/1046169969.db2.gz SJCUEKCBCDHGBJ-RTWAWAEBSA-N 0 3 336.479 4.118 20 10 EICDHN COc1cccc(O)c1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000771934821 1046529850 /nfs/dbraw/zinc/52/98/50/1046529850.db2.gz AGNZVHYCHKXION-UHFFFAOYSA-N 0 3 340.467 4.023 20 10 EICDHN COc1cccc([O-])c1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000771934821 1046529861 /nfs/dbraw/zinc/52/98/61/1046529861.db2.gz AGNZVHYCHKXION-UHFFFAOYSA-N 0 3 340.467 4.023 20 10 EICDHN COc1cccc([O-])c1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000771934821 1046529870 /nfs/dbraw/zinc/52/98/70/1046529870.db2.gz AGNZVHYCHKXION-UHFFFAOYSA-N 0 3 340.467 4.023 20 10 EICDHN Cc1cscc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000785522663 1046702038 /nfs/dbraw/zinc/70/20/38/1046702038.db2.gz RDPZOJNEUYVSKG-UHFFFAOYSA-N 0 3 345.468 4.245 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)c([O-])c1 ZINC000785578963 1046724228 /nfs/dbraw/zinc/72/42/28/1046724228.db2.gz CTGMGJQOJQCKJK-FVJLSDCUSA-N 0 3 326.484 4.351 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc2cnccc2c1)C[C@H]1CCCO1 ZINC000787047609 1046898872 /nfs/dbraw/zinc/89/88/72/1046898872.db2.gz AQWDCBHIAVDXMD-OAQYLSRUSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2cnccc2c1)C[C@H]1CCCO1 ZINC000787047609 1046898865 /nfs/dbraw/zinc/89/88/65/1046898865.db2.gz AQWDCBHIAVDXMD-OAQYLSRUSA-N 0 3 348.446 4.122 20 10 EICDHN CC(C)N(Cc1scnc1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000787090604 1046909033 /nfs/dbraw/zinc/90/90/33/1046909033.db2.gz GZTOMKZFXXWDTI-UHFFFAOYSA-N 0 3 329.513 4.497 20 10 EICDHN CC(C)Oc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000806175972 1047163395 /nfs/dbraw/zinc/16/33/95/1047163395.db2.gz GVYLBVGGNAYUJQ-OXQOHEQNSA-N 0 3 342.483 4.133 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806148158 1047173237 /nfs/dbraw/zinc/17/32/37/1047173237.db2.gz CVUGZYVMBIUOPE-MAUKXSAKSA-N 0 3 338.923 4.454 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000806176241 1047178105 /nfs/dbraw/zinc/17/81/05/1047178105.db2.gz KESYAIBZVSJFCX-LYRGGWFBSA-N 0 3 349.833 4.446 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCSC2)c1[O-] ZINC000806178097 1047186267 /nfs/dbraw/zinc/18/62/67/1047186267.db2.gz OSJYIXMMBHAQJQ-RYUDHWBXSA-N 0 3 344.318 4.257 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000788563019 1047225965 /nfs/dbraw/zinc/22/59/65/1047225965.db2.gz JEKRNSSUFZRFIK-IAGOWNOFSA-N 0 3 342.458 4.325 20 10 EICDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000789592403 1047445574 /nfs/dbraw/zinc/44/55/74/1047445574.db2.gz DJQYFBGBEJUBJR-UHFFFAOYSA-N 0 3 343.320 4.455 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c([O-])c1 ZINC000824469115 1047876845 /nfs/dbraw/zinc/87/68/45/1047876845.db2.gz XINFSAZISBGCPP-GOSISDBHSA-N 0 3 333.378 4.236 20 10 EICDHN Cc1cc(Cl)cc(CNCc2cccc(C(F)(F)F)n2)c1O ZINC000824589251 1047889313 /nfs/dbraw/zinc/88/93/13/1047889313.db2.gz CRTODNFUJHDWII-UHFFFAOYSA-N 0 3 330.737 4.058 20 10 EICDHN C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccccc1[O-] ZINC000808384849 1047890641 /nfs/dbraw/zinc/89/06/41/1047890641.db2.gz GNCUGVBGYFGQPK-LLVKDONJSA-N 0 3 338.220 4.015 20 10 EICDHN Cn1ncc(C2CCC2)c1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000824776778 1047936285 /nfs/dbraw/zinc/93/62/85/1047936285.db2.gz KBEHUADPRWDLKA-UHFFFAOYSA-N 0 3 339.483 4.338 20 10 EICDHN Cn1ncc(C2CCC2)c1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000824776778 1047936311 /nfs/dbraw/zinc/93/63/11/1047936311.db2.gz KBEHUADPRWDLKA-UHFFFAOYSA-N 0 3 339.483 4.338 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000808429734 1047939855 /nfs/dbraw/zinc/93/98/55/1047939855.db2.gz OEZMFVAIDHGZOY-FQEVSTJZSA-N 0 3 346.902 4.400 20 10 EICDHN CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(C(F)(F)F)cc1[O-] ZINC000824988784 1048016221 /nfs/dbraw/zinc/01/62/21/1048016221.db2.gz SUUGXHKIHJHXIF-HUORLRHWSA-N 0 3 342.405 4.077 20 10 EICDHN CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808690299 1048038394 /nfs/dbraw/zinc/03/83/94/1048038394.db2.gz CUIKQIINMCBSLX-ZDUSSCGKSA-N 0 3 346.858 4.206 20 10 EICDHN Cc1cccc(CN[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c1O ZINC000825130140 1048043168 /nfs/dbraw/zinc/04/31/68/1048043168.db2.gz NVLXOCRRUUFKGQ-KRWDZBQOSA-N 0 3 340.250 4.005 20 10 EICDHN COc1ccc(OC)c(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808673335 1048045858 /nfs/dbraw/zinc/04/58/58/1048045858.db2.gz NSQCDUGUWJDORY-GFCCVEGCSA-N 0 3 335.831 4.222 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1[O-] ZINC000808679418 1048048294 /nfs/dbraw/zinc/04/82/94/1048048294.db2.gz ONYJHSRXMMFTAK-CJNGLKHVSA-N 0 3 335.879 4.316 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c1[O-] ZINC000808705513 1048050552 /nfs/dbraw/zinc/05/05/52/1048050552.db2.gz JBIOUODTZDVJOO-UGSOOPFHSA-N 0 3 331.843 4.319 20 10 EICDHN COc1ccc(COCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808703775 1048051024 /nfs/dbraw/zinc/05/10/24/1048051024.db2.gz WBFMXPGOKOEJQP-AWEZNQCLSA-N 0 3 349.858 4.230 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1[O-] ZINC000808707375 1048052267 /nfs/dbraw/zinc/05/22/67/1048052267.db2.gz NJILKYAJSZFFQW-BONVTDFDSA-N 0 3 341.785 4.016 20 10 EICDHN Cc1cc(C)c(CNCc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000825221321 1048053356 /nfs/dbraw/zinc/05/33/56/1048053356.db2.gz IKFRQHWWBDBQND-UHFFFAOYSA-N 0 3 337.389 4.073 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOc2ncccc2Cl)c1[O-] ZINC000808705997 1048053470 /nfs/dbraw/zinc/05/34/70/1048053470.db2.gz BUEZQGZXLGGCKH-LLVKDONJSA-N 0 3 341.238 4.132 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)NC2(C(=O)Nc3ccccc3)CC2)c1O ZINC000808715705 1048062047 /nfs/dbraw/zinc/06/20/47/1048062047.db2.gz NNOROVAXRCYRJX-CYBMUJFWSA-N 0 3 344.842 4.176 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)c1[O-] ZINC000808715705 1048062064 /nfs/dbraw/zinc/06/20/64/1048062064.db2.gz NNOROVAXRCYRJX-CYBMUJFWSA-N 0 3 344.842 4.176 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000808715401 1048064065 /nfs/dbraw/zinc/06/40/65/1048064065.db2.gz CTFRDQMDZHAWJJ-CZUORRHYSA-N 0 3 347.890 4.340 20 10 EICDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)(C)C ZINC000808742336 1048100796 /nfs/dbraw/zinc/10/07/96/1048100796.db2.gz PVSWWFDWRLOLAK-OXQOHEQNSA-N 0 3 327.468 4.362 20 10 EICDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)(C)C ZINC000808742336 1048100805 /nfs/dbraw/zinc/10/08/05/1048100805.db2.gz PVSWWFDWRLOLAK-OXQOHEQNSA-N 0 3 327.468 4.362 20 10 EICDHN CN(Cc1ccncc1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639029 1048450187 /nfs/dbraw/zinc/45/01/87/1048450187.db2.gz PTPDQUJNEYQFOH-UHFFFAOYSA-N 0 3 343.474 4.276 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCCO1 ZINC000815565845 1048512477 /nfs/dbraw/zinc/51/24/77/1048512477.db2.gz BOOHTNFAGVPBBW-QUCCMNQESA-N 0 3 325.452 4.225 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809754665 1048517313 /nfs/dbraw/zinc/51/73/13/1048517313.db2.gz LZFPVRPAEGXTEC-INIZCTEOSA-N 0 3 344.213 4.051 20 10 EICDHN Cc1nccn1CCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809753006 1048517877 /nfs/dbraw/zinc/51/78/77/1048517877.db2.gz LKHTYAHDALUQLJ-UHFFFAOYSA-N 0 3 335.451 4.086 20 10 EICDHN Cc1nccn1CCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809753006 1048517889 /nfs/dbraw/zinc/51/78/89/1048517889.db2.gz LKHTYAHDALUQLJ-UHFFFAOYSA-N 0 3 335.451 4.086 20 10 EICDHN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579268 1048519181 /nfs/dbraw/zinc/51/91/81/1048519181.db2.gz JBGDYCWVCNQISE-LRQRDZAKSA-N 0 3 327.468 4.063 20 10 EICDHN CCc1cc(CN[C@H](CCc2ccccc2)c2ccccc2O)on1 ZINC000815582530 1048520327 /nfs/dbraw/zinc/52/03/27/1048520327.db2.gz IXIZXIQJRGNVNQ-HXUWFJFHSA-N 0 3 336.435 4.406 20 10 EICDHN CO[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C(C)C ZINC000815585360 1048521950 /nfs/dbraw/zinc/52/19/50/1048521950.db2.gz FOXAODOHZSPUII-CTNGQTDRSA-N 0 3 327.468 4.327 20 10 EICDHN COCCC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815596895 1048530394 /nfs/dbraw/zinc/53/03/94/1048530394.db2.gz HFBXINSJGIDLRJ-HXUWFJFHSA-N 0 3 339.479 4.472 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@H]1CCO ZINC000815618991 1048545392 /nfs/dbraw/zinc/54/53/92/1048545392.db2.gz ZJUWPZOBSITKQK-JBACZVJFSA-N 0 3 339.479 4.207 20 10 EICDHN C[C@@H]1COCC[C@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815626000 1048550459 /nfs/dbraw/zinc/55/04/59/1048550459.db2.gz RVPNYOKKMFCFCT-LMNJBCLMSA-N 0 3 339.479 4.328 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000815636119 1048565172 /nfs/dbraw/zinc/56/51/72/1048565172.db2.gz PGINBZSHUYWCFO-CABCVRRESA-N 0 3 340.423 4.151 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227895 1048696530 /nfs/dbraw/zinc/69/65/30/1048696530.db2.gz MHJNMXUDSLDHMO-KBPBESRZSA-N 0 3 339.361 4.252 20 10 EICDHN CC[C@]1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])OCCc2ccccc21 ZINC000810242966 1048724265 /nfs/dbraw/zinc/72/42/65/1048724265.db2.gz JKZIZPNEZSPLKL-HRAATJIYSA-N 0 3 325.452 4.229 20 10 EICDHN CC[C@H]([NH2+]C[C@@]1(CC)OCCc2ccccc21)c1ccccc1[O-] ZINC000810243558 1048727735 /nfs/dbraw/zinc/72/77/35/1048727735.db2.gz QDWPQAHOCOQVJO-PZJWPPBQSA-N 0 3 325.452 4.311 20 10 EICDHN CCOc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)c(O)c1 ZINC000846053955 1048807263 /nfs/dbraw/zinc/80/72/63/1048807263.db2.gz ZJUXDCYASLXPBI-KRWDZBQOSA-N 0 3 345.414 4.322 20 10 EICDHN CCOc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)c([O-])c1 ZINC000846053955 1048807269 /nfs/dbraw/zinc/80/72/69/1048807269.db2.gz ZJUXDCYASLXPBI-KRWDZBQOSA-N 0 3 345.414 4.322 20 10 EICDHN CN(Cc1cccs1)c1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846112465 1048815054 /nfs/dbraw/zinc/81/50/54/1048815054.db2.gz CSWPCHHXLLZVFG-CALCHBBNSA-N 0 3 334.435 4.081 20 10 EICDHN [O-]c1c(C[NH2+]C2CCN(Cc3ccccc3)CC2)ccc2ccccc21 ZINC000816529682 1048823768 /nfs/dbraw/zinc/82/37/68/1048823768.db2.gz CIZIOJCBVMDTGH-UHFFFAOYSA-N 0 3 346.474 4.300 20 10 EICDHN COc1cccc([C@@H](C)N[C@H]2CCCOc3c(F)cccc32)c1O ZINC000846162905 1048827587 /nfs/dbraw/zinc/82/75/87/1048827587.db2.gz NOTPEVHREUQTHL-WBMJQRKESA-N 0 3 331.387 4.104 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000816625108 1048839256 /nfs/dbraw/zinc/83/92/56/1048839256.db2.gz RQYBWVUNQADNDI-YGUOUDRMSA-N 0 3 335.806 4.229 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1[O-] ZINC000816651097 1048848345 /nfs/dbraw/zinc/84/83/45/1048848345.db2.gz SMQMTDSAMRPXCM-UHFFFAOYSA-N 0 3 345.748 4.384 20 10 EICDHN Oc1ccc(-c2ccccc2)cc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816665934 1048851405 /nfs/dbraw/zinc/85/14/05/1048851405.db2.gz AJSCIFGLXYCICL-VXKWHMMOSA-N 0 3 335.447 4.203 20 10 EICDHN CC[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000817415717 1048966644 /nfs/dbraw/zinc/96/66/44/1048966644.db2.gz XIKZKNBOJMHBSS-MOPGFXCFSA-N 0 3 341.451 4.018 20 10 EICDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2c1c(F)ccc2[O-] ZINC000817977462 1049078243 /nfs/dbraw/zinc/07/82/43/1049078243.db2.gz KRLDAJKMKOYBGW-YVEFUNNKSA-N 0 3 326.415 4.228 20 10 EICDHN CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000811510867 1049126031 /nfs/dbraw/zinc/12/60/31/1049126031.db2.gz QJFAFQZYLUKZDF-VQTJNVASSA-N 0 3 328.500 4.066 20 10 EICDHN C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCC1(F)F ZINC000811511511 1049126144 /nfs/dbraw/zinc/12/61/44/1049126144.db2.gz KTCQBWICYKPUBA-OAHLLOKOSA-N 0 3 347.405 4.448 20 10 EICDHN C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCC1(F)F ZINC000811511511 1049126170 /nfs/dbraw/zinc/12/61/70/1049126170.db2.gz KTCQBWICYKPUBA-OAHLLOKOSA-N 0 3 347.405 4.448 20 10 EICDHN Cc1ccsc1[C@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773050943 1049554800 /nfs/dbraw/zinc/55/48/00/1049554800.db2.gz VWMLSLMQKPJMMH-LPHOPBHVSA-N 0 3 344.524 4.431 20 10 EICDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H]1OCCc2sccc21 ZINC000813885817 1049831922 /nfs/dbraw/zinc/83/19/22/1049831922.db2.gz XVDJDEOVXVIRIV-NTNWHXMLSA-N 0 3 347.455 4.433 20 10 EICDHN CN1CCCc2cc(CNCc3cc4cc(Cl)cnc4o3)ccc21 ZINC000823729903 1049873688 /nfs/dbraw/zinc/87/36/88/1049873688.db2.gz MUPSHGBGXDTTNY-UHFFFAOYSA-N 0 3 341.842 4.153 20 10 EICDHN CCCOc1ccc(CNCc2ccnc(OCC3CC3)c2)cc1C ZINC001177674084 1050276431 /nfs/dbraw/zinc/27/64/31/1050276431.db2.gz KXKQFWVBESUCPQ-UHFFFAOYSA-N 0 3 340.467 4.257 20 10 EICDHN [NH3+][C@@H]1CCc2c1cccc2NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168526258 1050421787 /nfs/dbraw/zinc/42/17/87/1050421787.db2.gz UREJTWCVHRYRQW-MRXNPFEDSA-N 0 3 339.826 4.152 20 10 EICDHN C[C@@H]1CCN(Cc2ccc(Cl)cc2[O-])CC[N@@H+]1Cc1ccccc1 ZINC001180088508 1050864924 /nfs/dbraw/zinc/86/49/24/1050864924.db2.gz ZKQBZBLYYUQNDD-MRXNPFEDSA-N 0 3 344.886 4.142 20 10 EICDHN C[C@@H]1CCN(Cc2ccc(Cl)cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC001180088508 1050864929 /nfs/dbraw/zinc/86/49/29/1050864929.db2.gz ZKQBZBLYYUQNDD-MRXNPFEDSA-N 0 3 344.886 4.142 20 10 EICDHN C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000775365753 1051135040 /nfs/dbraw/zinc/13/50/40/1051135040.db2.gz WTTXGCBNKMDQAH-GFCCVEGCSA-N 0 3 338.373 4.344 20 10 EICDHN CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1OC(F)F ZINC000183554493 1051166659 /nfs/dbraw/zinc/16/66/59/1051166659.db2.gz SRGPTRMYAOLIOK-LBPRGKRZSA-N 0 3 337.366 4.243 20 10 EICDHN CCOc1cccc(CN[C@@H](C)c2ccccc2O)c1OC(F)F ZINC000183554493 1051166667 /nfs/dbraw/zinc/16/66/67/1051166667.db2.gz SRGPTRMYAOLIOK-LBPRGKRZSA-N 0 3 337.366 4.243 20 10 EICDHN COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183595131 1051176738 /nfs/dbraw/zinc/17/67/38/1051176738.db2.gz AGVLLJFKRPIZSF-CABCVRRESA-N 0 3 331.481 4.480 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775410611 1051275160 /nfs/dbraw/zinc/27/51/60/1051275160.db2.gz AWAVEFMEXPNYFF-WBVHZDCISA-N 0 3 339.357 4.185 20 10 EICDHN Cc1cc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)c(C)o1 ZINC000774131373 1051472227 /nfs/dbraw/zinc/47/22/27/1051472227.db2.gz OLRRPEGUTWMQMC-OAHLLOKOSA-N 0 3 330.497 4.300 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccccc1[O-] ZINC000775483203 1051551971 /nfs/dbraw/zinc/55/19/71/1051551971.db2.gz OXNFZFCZMRCKQU-QZTJIDSGSA-N 0 3 332.875 4.389 20 10 EICDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1Cl ZINC000774483749 1051610260 /nfs/dbraw/zinc/61/02/60/1051610260.db2.gz LXGHNHVAAQCGMP-ZIAGYGMSSA-N 0 3 345.874 4.084 20 10 EICDHN Cc1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000774483404 1051614000 /nfs/dbraw/zinc/61/40/00/1051614000.db2.gz KGHBTFADFOJBRU-IAGOWNOFSA-N 0 3 339.483 4.047 20 10 EICDHN COc1cccc2c1OCC[C@H]2NCc1cc(C(C)C)ccc1O ZINC001182635101 1051654620 /nfs/dbraw/zinc/65/46/20/1051654620.db2.gz WLUFRBXQUKNILG-QGZVFWFLSA-N 0 3 327.424 4.138 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](C)COc1ccccc1OC)c1ccccc1[O-] ZINC000775527028 1051715467 /nfs/dbraw/zinc/71/54/67/1051715467.db2.gz VNWUKJWJRUTURC-WBVHZDCISA-N 0 3 329.440 4.157 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)c1[O-] ZINC001183123431 1051784834 /nfs/dbraw/zinc/78/48/34/1051784834.db2.gz OKLWBEJTYBABCZ-KOMQPUFPSA-N 0 3 349.883 4.467 20 10 EICDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001206256302 1051814636 /nfs/dbraw/zinc/81/46/36/1051814636.db2.gz QKPJJDGRUCFYTJ-UHFFFAOYSA-N 0 3 335.369 4.264 20 10 EICDHN C[C@@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000184316773 1051907450 /nfs/dbraw/zinc/90/74/50/1051907450.db2.gz CRZZDQQULRXCCW-OAHLLOKOSA-N 0 3 348.487 4.080 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)c([O-])c1 ZINC000185126769 1052447310 /nfs/dbraw/zinc/44/73/10/1052447310.db2.gz JXNDJHCLLLBLRG-SFHVURJKSA-N 0 3 339.479 4.408 20 10 EICDHN COc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C)cc3[O-])CC2)cc1 ZINC000185312030 1052576488 /nfs/dbraw/zinc/57/64/88/1052576488.db2.gz SVKYDGGPZURYKR-MRXNPFEDSA-N 0 3 340.467 4.029 20 10 EICDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000185658812 1052666628 /nfs/dbraw/zinc/66/66/28/1052666628.db2.gz HUFIPQAXUWCIJO-GJYPPUQNSA-N 0 3 342.458 4.235 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cc3ccccc3s2)c([O-])c1 ZINC000185721277 1052685906 /nfs/dbraw/zinc/68/59/06/1052685906.db2.gz JPKDHZYTDRGPPD-CXAGYDPISA-N 0 3 327.449 4.300 20 10 EICDHN COC[C@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccccc1 ZINC000850136350 1053074961 /nfs/dbraw/zinc/07/49/61/1053074961.db2.gz SHUNNPOSUAVPHQ-IBGZPJMESA-N 0 3 343.467 4.176 20 10 EICDHN Cc1cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC001194862770 1053130015 /nfs/dbraw/zinc/13/00/15/1053130015.db2.gz DYUZZHVSFNAZIM-SFTDATJTSA-N 0 3 342.527 4.375 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC1SCCS1 ZINC000850407972 1053175887 /nfs/dbraw/zinc/17/58/87/1053175887.db2.gz XTOWHJHZQAEAIK-UHFFFAOYSA-N 0 3 331.506 4.345 20 10 EICDHN C[C@H]1C[C@H]([NH2+]CCc2noc3ccccc32)c2c1c(F)ccc2[O-] ZINC000850482564 1053253600 /nfs/dbraw/zinc/25/36/00/1053253600.db2.gz KAVLKGXHAVLEHB-NHYWBVRUSA-N 0 3 326.371 4.053 20 10 EICDHN C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000850504808 1053266420 /nfs/dbraw/zinc/26/64/20/1053266420.db2.gz FQDDRJJHSXFVAR-MEBBXXQBSA-N 0 3 335.341 4.072 20 10 EICDHN CC[C@@H](N[C@@H](COC)c1cccc(OC)c1)c1ccc(N(C)C)cc1 ZINC000850515281 1053274331 /nfs/dbraw/zinc/27/43/31/1053274331.db2.gz VKHMTQJIIPLIIS-RTWAWAEBSA-N 0 3 342.483 4.190 20 10 EICDHN COc1ccc(-c2cc(CN[C@H](C)c3cc(C)ccc3O)on2)cc1 ZINC000850525989 1053286896 /nfs/dbraw/zinc/28/68/96/1053286896.db2.gz NUMDUPFOMDPADH-CQSZACIVSA-N 0 3 338.407 4.215 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1[O-] ZINC000850537597 1053301552 /nfs/dbraw/zinc/30/15/52/1053301552.db2.gz WESCVOONCDFRFT-NOZJJQNGSA-N 0 3 334.204 4.159 20 10 EICDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1[O-] ZINC000850554581 1053310427 /nfs/dbraw/zinc/31/04/27/1053310427.db2.gz COZGVQVICOPLEG-ABKXIKBNSA-N 0 3 344.213 4.222 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1[O-] ZINC000850557255 1053312087 /nfs/dbraw/zinc/31/20/87/1053312087.db2.gz NOKMBBGUHOINBV-NVXWUHKLSA-N 0 3 340.250 4.473 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000850558954 1053314466 /nfs/dbraw/zinc/31/44/66/1053314466.db2.gz YCTMMQUTZJVWLP-DIFFPNOSSA-N 0 3 340.250 4.392 20 10 EICDHN C[C@@H](O)[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000850584525 1053336418 /nfs/dbraw/zinc/33/64/18/1053336418.db2.gz QWHBIDRJBZAIST-SVMVAKDDSA-N 0 3 338.495 4.450 20 10 EICDHN Cc1cccc(CN(C)Cc2ccc(Br)s2)c1O ZINC000775647625 1053366875 /nfs/dbraw/zinc/36/68/75/1053366875.db2.gz ZRPSLIJMMUKKES-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c([O-])c1 ZINC000776499047 1053381373 /nfs/dbraw/zinc/38/13/73/1053381373.db2.gz SITUSCZIMSLWKT-QGZVFWFLSA-N 0 3 347.842 4.448 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc(C)cc1[O-] ZINC000794799010 1053385624 /nfs/dbraw/zinc/38/56/24/1053385624.db2.gz ZYGDCHPBFFLFJK-LJQANCHMSA-N 0 3 339.483 4.327 20 10 EICDHN CC[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1[O-] ZINC000794804938 1053391444 /nfs/dbraw/zinc/39/14/44/1053391444.db2.gz WJMXPLMASRTDNZ-DLBZAZTESA-N 0 3 348.487 4.045 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccc(C)cc1[O-] ZINC000794804961 1053392871 /nfs/dbraw/zinc/39/28/71/1053392871.db2.gz OKCRUJWUEQDBAN-GOSISDBHSA-N 0 3 326.440 4.125 20 10 EICDHN CC[C@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(C)cc1[O-] ZINC000794804063 1053396568 /nfs/dbraw/zinc/39/65/68/1053396568.db2.gz LVKZEKDURGJFJQ-YJBOKZPZSA-N 0 3 344.524 4.250 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(C)cc1[O-] ZINC000794804054 1053397096 /nfs/dbraw/zinc/39/70/96/1053397096.db2.gz LVKZEKDURGJFJQ-MAUKXSAKSA-N 0 3 344.524 4.250 20 10 EICDHN CC(C)(C)OCc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000101932374 1053402241 /nfs/dbraw/zinc/40/22/41/1053402241.db2.gz VLJHRNMGRWSZNT-UHFFFAOYSA-N 0 3 325.452 4.226 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(C)cc1[O-] ZINC000794807803 1053416696 /nfs/dbraw/zinc/41/66/96/1053416696.db2.gz LSZIZVQMCRHNPB-ROUUACIJSA-N 0 3 348.437 4.322 20 10 EICDHN CC[C@@H]([NH2+]CCN(CC)CCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000794813805 1053421877 /nfs/dbraw/zinc/42/18/77/1053421877.db2.gz JVKIMONSOLOJRS-OAHLLOKOSA-N 0 3 332.410 4.016 20 10 EICDHN CC[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000794814432 1053421950 /nfs/dbraw/zinc/42/19/50/1053421950.db2.gz LEPBQVRGDIIJBW-KMFMINBZSA-N 0 3 345.405 4.225 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(C)cc1[O-] ZINC000794828521 1053440019 /nfs/dbraw/zinc/44/00/19/1053440019.db2.gz QCOSDNPEYOAHEQ-AEFFLSMTSA-N 0 3 337.822 4.267 20 10 EICDHN CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cccc(C)c1O ZINC000775668550 1053459921 /nfs/dbraw/zinc/45/99/21/1053459921.db2.gz FIUDZTIHWNDXJN-LJQANCHMSA-N 0 3 335.451 4.407 20 10 EICDHN CC[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000765384025 1053530296 /nfs/dbraw/zinc/53/02/96/1053530296.db2.gz BPYGLQDSWXGLOC-SFHVURJKSA-N 0 3 345.874 4.085 20 10 EICDHN C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1ccccc1[O-] ZINC000794842670 1053541546 /nfs/dbraw/zinc/54/15/46/1053541546.db2.gz SCZKJUVFFQCXSV-CYBMUJFWSA-N 0 3 339.357 4.227 20 10 EICDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)c(F)c1)CCCO2 ZINC000765475486 1053560611 /nfs/dbraw/zinc/56/06/11/1053560611.db2.gz VKOIOCZAMFURDQ-SFHVURJKSA-N 0 3 328.431 4.204 20 10 EICDHN CCOc1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)c([O-])c1 ZINC000865653608 1053566310 /nfs/dbraw/zinc/56/63/10/1053566310.db2.gz SCFUTPKLSPLZSF-UHFFFAOYSA-N 0 3 331.359 4.161 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cc(F)c(F)c(F)c1 ZINC000765481813 1053567820 /nfs/dbraw/zinc/56/78/20/1053567820.db2.gz RDMKBIFFPGLTOD-LBPRGKRZSA-N 0 3 334.385 4.337 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240304 1053655298 /nfs/dbraw/zinc/65/52/98/1053655298.db2.gz OSPZUWUCLMNJKX-MAUKXSAKSA-N 0 3 336.907 4.208 20 10 EICDHN Cc1ccc([C@@H](C)N[C@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000853240517 1053657228 /nfs/dbraw/zinc/65/72/28/1053657228.db2.gz HNPRCAABKFDQTD-QAPCUYQASA-N 0 3 333.435 4.224 20 10 EICDHN CSCC[C@H](C)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000775713828 1053658690 /nfs/dbraw/zinc/65/86/90/1053658690.db2.gz JPGCNEQPTFUWRK-NSHDSACASA-N 0 3 332.307 4.037 20 10 EICDHN CSCC[C@H](C)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000775713828 1053658699 /nfs/dbraw/zinc/65/86/99/1053658699.db2.gz JPGCNEQPTFUWRK-NSHDSACASA-N 0 3 332.307 4.037 20 10 EICDHN COc1cccc([C@@H](C)NCc2ccsc2C(F)(F)F)c1O ZINC000866405496 1053716779 /nfs/dbraw/zinc/71/67/79/1053716779.db2.gz BXJHPXHIINYALF-SECBINFHSA-N 0 3 331.359 4.332 20 10 EICDHN Cc1scc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1C ZINC000866430519 1053727138 /nfs/dbraw/zinc/72/71/38/1053727138.db2.gz VKODVOHGKZCDSG-AWEZNQCLSA-N 0 3 348.487 4.191 20 10 EICDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc2[nH]c(=O)oc2c1 ZINC000866486148 1053749185 /nfs/dbraw/zinc/74/91/85/1053749185.db2.gz ZPDXMLPGVUYMQX-RULNRJAQSA-N 0 3 342.370 4.277 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000121082724 1053752918 /nfs/dbraw/zinc/75/29/18/1053752918.db2.gz RKGCSNFRYBRNMG-DOTOQJQBSA-N 0 3 348.487 4.080 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(OC)c1OC ZINC000866506978 1053755689 /nfs/dbraw/zinc/75/56/89/1053755689.db2.gz AFXZZVQBBVEHLP-JKSUJKDBSA-N 0 3 327.424 4.138 20 10 EICDHN CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000866548600 1053780630 /nfs/dbraw/zinc/78/06/30/1053780630.db2.gz VRFDDIHESIZZTQ-ZOBUZTSGSA-N 0 3 348.487 4.045 20 10 EICDHN Cc1ccc([C@H](C)NCc2ccc(Br)cn2)c(O)c1C ZINC000866569176 1053792043 /nfs/dbraw/zinc/79/20/43/1053792043.db2.gz NMZHZZVMMMPCHU-LBPRGKRZSA-N 0 3 335.245 4.017 20 10 EICDHN COc1ccc(O)c(CNC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000775829634 1054099603 /nfs/dbraw/zinc/09/96/03/1054099603.db2.gz YIGKETMRJCKAEM-UHFFFAOYSA-N 0 3 337.341 4.199 20 10 EICDHN CC(C)c1ccccc1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835226 1054114787 /nfs/dbraw/zinc/11/47/87/1054114787.db2.gz GDTWDTSOMLVIGZ-INIZCTEOSA-N 0 3 339.483 4.165 20 10 EICDHN Oc1cccc2c1[C@H](NCc1cc(C(F)(F)F)cc(Cl)n1)CC2 ZINC000872117757 1054397516 /nfs/dbraw/zinc/39/75/16/1054397516.db2.gz VEMVLARYYPGNMC-GFCCVEGCSA-N 0 3 342.748 4.237 20 10 EICDHN CCN(CC)c1ccc(CNCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001199403661 1054406685 /nfs/dbraw/zinc/40/66/85/1054406685.db2.gz YHOUGEYRNBKHPH-UHFFFAOYSA-N 0 3 348.393 4.144 20 10 EICDHN CCOCc1cc(CN[C@H](C)c2cccc(OC)c2)ccc1OC ZINC001199581550 1054428141 /nfs/dbraw/zinc/42/81/41/1054428141.db2.gz GVNJHWCGFMTBCB-OAHLLOKOSA-N 0 3 329.440 4.091 20 10 EICDHN Cc1cc(C)n(CC[N@H+](Cc2ccccc2[O-])[C@H](C)c2ccccc2)n1 ZINC000776006220 1054443746 /nfs/dbraw/zinc/44/37/46/1054443746.db2.gz BWMZYFAWXNFOQS-LJQANCHMSA-N 0 3 349.478 4.469 20 10 EICDHN Cc1cc(C)n(CC[N@@H+](Cc2ccccc2[O-])[C@H](C)c2ccccc2)n1 ZINC000776006220 1054443751 /nfs/dbraw/zinc/44/37/51/1054443751.db2.gz BWMZYFAWXNFOQS-LJQANCHMSA-N 0 3 349.478 4.469 20 10 EICDHN Cc1cc(C)n(CC[N@H+](Cc2ccccc2[O-])[C@@H](C)c2ccccc2)n1 ZINC000776006188 1054443761 /nfs/dbraw/zinc/44/37/61/1054443761.db2.gz BWMZYFAWXNFOQS-IBGZPJMESA-N 0 3 349.478 4.469 20 10 EICDHN Cc1cc(C)n(CC[N@@H+](Cc2ccccc2[O-])[C@@H](C)c2ccccc2)n1 ZINC000776006188 1054443765 /nfs/dbraw/zinc/44/37/65/1054443765.db2.gz BWMZYFAWXNFOQS-IBGZPJMESA-N 0 3 349.478 4.469 20 10 EICDHN CCCOc1ccc(CNCc2ccc(C3OCCO3)cc2)cc1C ZINC000873050352 1054481128 /nfs/dbraw/zinc/48/11/28/1054481128.db2.gz UPBOUURKQKBRPF-UHFFFAOYSA-N 0 3 341.451 4.119 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000858442787 1054490780 /nfs/dbraw/zinc/49/07/80/1054490780.db2.gz MKJDCKAITQAMCQ-UYAOXDASSA-N 0 3 329.440 4.138 20 10 EICDHN CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000858498454 1054504075 /nfs/dbraw/zinc/50/40/75/1054504075.db2.gz PRIDRLBLHIRCSD-ZDUSSCGKSA-N 0 3 346.858 4.188 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000858548949 1054515730 /nfs/dbraw/zinc/51/57/30/1054515730.db2.gz XRELNDZBCFCUMR-RCZSKKKRSA-N 0 3 337.463 4.223 20 10 EICDHN c1ccc2oc(-c3ccc(N4CCN(CC5CC5)CC4)cc3)nc2c1 ZINC001201952722 1054965112 /nfs/dbraw/zinc/96/51/12/1054965112.db2.gz ZTLJCKMKKGDSBP-UHFFFAOYSA-N 0 3 333.435 4.027 20 10 EICDHN Cc1cc(N(C)C)ccc1CNCc1ccc2ccc(F)c(F)c2n1 ZINC000877031424 1055004417 /nfs/dbraw/zinc/00/44/17/1055004417.db2.gz QYZUYRQHHNOAII-UHFFFAOYSA-N 0 3 341.405 4.177 20 10 EICDHN COC[C@@H](NCc1ccc(C)cc1O)c1cccc(C(F)(F)F)c1 ZINC000877037641 1055006085 /nfs/dbraw/zinc/00/60/85/1055006085.db2.gz UEIDPKKOFOKVPH-MRXNPFEDSA-N 0 3 339.357 4.197 20 10 EICDHN Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(Cl)c1 ZINC000877757369 1055114579 /nfs/dbraw/zinc/11/45/79/1055114579.db2.gz UHHLGDTZZKKGAH-KGLIPLIRSA-N 0 3 346.858 4.422 20 10 EICDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])c(O)c(C(C)(C)C)c1 ZINC000877758111 1055117413 /nfs/dbraw/zinc/11/74/13/1055117413.db2.gz JJNFWIJMWUAYDH-ZDUSSCGKSA-N 0 3 329.440 4.255 20 10 EICDHN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000119360280 1055166321 /nfs/dbraw/zinc/16/63/21/1055166321.db2.gz ZSXFNIKVSWUMKY-JKSUJKDBSA-N 0 3 328.456 4.145 20 10 EICDHN C[C@@H]([NH2+]CC1(CCOCc2ccccc2)CC1)c1ccccc1[O-] ZINC000186368258 1055402456 /nfs/dbraw/zinc/40/24/56/1055402456.db2.gz NVKNANAWOGALGC-QGZVFWFLSA-N 0 3 325.452 4.430 20 10 EICDHN COc1ccccc1[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])OC(C)C ZINC000186381515 1055419985 /nfs/dbraw/zinc/41/99/85/1055419985.db2.gz ASVMNQGXJZTGLB-JLTOFOAXSA-N 0 3 347.430 4.357 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c2c1c(F)ccc2[O-] ZINC000765819721 1055634738 /nfs/dbraw/zinc/63/47/38/1055634738.db2.gz WNNGFLAMBKPJJP-VZMUKZCBSA-N 0 3 349.833 4.230 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168664433 1056509350 /nfs/dbraw/zinc/50/93/50/1056509350.db2.gz GTBUIIRVUKFWMR-WIYYLYMNSA-N 0 3 341.451 4.143 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168664433 1056509368 /nfs/dbraw/zinc/50/93/68/1056509368.db2.gz GTBUIIRVUKFWMR-WIYYLYMNSA-N 0 3 341.451 4.143 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186465207 1056520770 /nfs/dbraw/zinc/52/07/70/1056520770.db2.gz CMZUUJGAOYNXJJ-UHFFFAOYSA-N 0 3 329.415 4.008 20 10 EICDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000743869876 1059189531 /nfs/dbraw/zinc/18/95/31/1059189531.db2.gz DFZHTXNAFHSEAB-KRWDZBQOSA-N 0 3 340.467 4.248 20 10 EICDHN C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000379640268 1059705916 /nfs/dbraw/zinc/70/59/16/1059705916.db2.gz BNPDNRQLUQFZLV-JKSUJKDBSA-N 0 3 330.447 4.093 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1Cc1ccccc1 ZINC000379641499 1059710227 /nfs/dbraw/zinc/71/02/27/1059710227.db2.gz DABPEDHBYNHZSV-AHRSYUTCSA-N 0 3 336.479 4.022 20 10 EICDHN [O-]c1ccccc1C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000766466479 1060371454 /nfs/dbraw/zinc/37/14/54/1060371454.db2.gz NGGIUDJVUIMGNL-UHFFFAOYSA-N 0 3 337.394 4.400 20 10 EICDHN C[C@H](NCc1ccnn1CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000766561063 1060568660 /nfs/dbraw/zinc/56/86/60/1060568660.db2.gz QUKBOBANKHTWTF-SFHVURJKSA-N 0 3 348.494 4.043 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2ncccc2c1)C[C@H]1CCCO1 ZINC000160183831 1018805059 /nfs/dbraw/zinc/80/50/59/1018805059.db2.gz DKAFJJIPUOVKKK-HXUWFJFHSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc2ncccc2c1)C[C@H]1CCCO1 ZINC000160183831 1018805062 /nfs/dbraw/zinc/80/50/62/1018805062.db2.gz DKAFJJIPUOVKKK-HXUWFJFHSA-N 0 3 348.446 4.122 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccc(C)cc1[O-] ZINC000279921408 1032796446 /nfs/dbraw/zinc/79/64/46/1032796446.db2.gz AGCNYIAKIHPZPJ-IFXJQAMLSA-N 0 3 326.440 4.461 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccccc1[O-] ZINC000155169892 1020309567 /nfs/dbraw/zinc/30/95/67/1020309567.db2.gz LTGMBRORHUFCMT-XJKSGUPXSA-N 0 3 345.439 4.220 20 10 EICDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)N[C@@H](C)CC)c1)c1ccccc1[O-] ZINC000155194963 1020336603 /nfs/dbraw/zinc/33/66/03/1020336603.db2.gz YCYYUSJREFYLOG-HNAYVOBHSA-N 0 3 340.467 4.161 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1[O-] ZINC000155334624 1020500399 /nfs/dbraw/zinc/50/03/99/1020500399.db2.gz CJUBYAATFYJYQA-BEFAXECRSA-N 0 3 338.451 4.321 20 10 EICDHN Cc1cc(CN2CCSC[C@H]2c2ccccc2)ccc1N(C)C ZINC001167417913 1022193598 /nfs/dbraw/zinc/19/35/98/1022193598.db2.gz ZXGQRFRRURYLIZ-FQEVSTJZSA-N 0 3 326.509 4.351 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000311162371 1022956288 /nfs/dbraw/zinc/95/62/88/1022956288.db2.gz PWLAYTLQFSMNQQ-XHSDSOJGSA-N 0 3 348.487 4.045 20 10 EICDHN CC[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccccc1[O-] ZINC000156147642 1023026430 /nfs/dbraw/zinc/02/64/30/1023026430.db2.gz ASBMMBVVWWRONR-GOSISDBHSA-N 0 3 335.451 4.247 20 10 EICDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000191804956 1023575043 /nfs/dbraw/zinc/57/50/43/1023575043.db2.gz CJITYEGYPQEBOX-JTQLQIEISA-N 0 3 329.293 4.281 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860067 1023746885 /nfs/dbraw/zinc/74/68/85/1023746885.db2.gz XGTXNMYWYRRYQG-SFHVURJKSA-N 0 3 337.822 4.130 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860067 1023746892 /nfs/dbraw/zinc/74/68/92/1023746892.db2.gz XGTXNMYWYRRYQG-SFHVURJKSA-N 0 3 337.822 4.130 20 10 EICDHN Cc1noc2ncc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)cc12 ZINC000894016582 1033266792 /nfs/dbraw/zinc/26/67/92/1033266792.db2.gz GKANTHMIOCPZTN-UHFFFAOYSA-N 0 3 337.423 4.182 20 10 EICDHN Cc1noc2ncc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)cc12 ZINC000894016582 1033266810 /nfs/dbraw/zinc/26/68/10/1033266810.db2.gz GKANTHMIOCPZTN-UHFFFAOYSA-N 0 3 337.423 4.182 20 10 EICDHN Cc1cc(O)c(CN[C@H](C)c2ccc(Br)cn2)cc1C ZINC000279617083 1026548919 /nfs/dbraw/zinc/54/89/19/1026548919.db2.gz AIUJOWNGFBBKAT-GFCCVEGCSA-N 0 3 335.245 4.017 20 10 EICDHN Cc1ccc(O)c(CN[C@H]2CCOc3ccc(Br)cc32)c1 ZINC000113326863 1026782839 /nfs/dbraw/zinc/78/28/39/1026782839.db2.gz YUWQXUBWAZQYLB-HNNXBMFYSA-N 0 3 348.240 4.077 20 10 EICDHN COc1ccc(N2CCN(CC[C@@H]3CCC[C@@H](C)C3)CC2)cc1F ZINC001168069355 1027540480 /nfs/dbraw/zinc/54/04/80/1027540480.db2.gz VETHRVHSLJAHFX-SJORKVTESA-N 0 3 334.479 4.173 20 10 EICDHN C[C@H](NCc1ccccc1CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000305102797 1027776396 /nfs/dbraw/zinc/77/63/96/1027776396.db2.gz BXXOLTHPCSTUJT-INIZCTEOSA-N 0 3 342.458 4.159 20 10 EICDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(Cl)nc1 ZINC000179108004 1027790839 /nfs/dbraw/zinc/79/08/39/1027790839.db2.gz APJXIQRBBSFLNA-CQSZACIVSA-N 0 3 347.915 4.139 20 10 EICDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(N2CCCC2)cc1 ZINC000281164385 1028425461 /nfs/dbraw/zinc/42/54/61/1028425461.db2.gz HJLUKSUQTJBDDY-FQEVSTJZSA-N 0 3 340.442 4.212 20 10 EICDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(N2CCCC2)cc1 ZINC000281164389 1028426148 /nfs/dbraw/zinc/42/61/48/1028426148.db2.gz HJLUKSUQTJBDDY-HXUWFJFHSA-N 0 3 340.442 4.212 20 10 EICDHN Fc1cncc([C@@H](NCc2ccc(N3CCCC3)cc2)C2CC2)c1 ZINC000281305427 1028500280 /nfs/dbraw/zinc/50/02/80/1028500280.db2.gz RNZHTAWUORFRED-FQEVSTJZSA-N 0 3 325.431 4.062 20 10 EICDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000281290067 1028508055 /nfs/dbraw/zinc/50/80/55/1028508055.db2.gz YAIVSKRAVCCCOE-VXGBXAGGSA-N 0 3 335.245 4.270 20 10 EICDHN CN1CCCc2cc(CNCc3cnc(-c4ccco4)s3)ccc21 ZINC000193070188 1028520808 /nfs/dbraw/zinc/52/08/08/1028520808.db2.gz QSGOECYRNIPSQC-UHFFFAOYSA-N 0 3 339.464 4.075 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC000156966439 1028882011 /nfs/dbraw/zinc/88/20/11/1028882011.db2.gz DOJVKZDSPJGGHU-PBHICJAKSA-N 0 3 337.423 4.287 20 10 EICDHN Cc1n[nH]c(C)c1CNCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000281839526 1028885321 /nfs/dbraw/zinc/88/53/21/1028885321.db2.gz ANUWOJRSWLBCDI-ZDUSSCGKSA-N 0 3 346.906 4.206 20 10 EICDHN COC1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000840791716 1029328382 /nfs/dbraw/zinc/32/83/82/1029328382.db2.gz CJQATEMVJWMAAF-XGNXJENSSA-N 0 3 342.277 4.071 20 10 EICDHN CC[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccc(C)cc1[O-] ZINC000280182448 1035197314 /nfs/dbraw/zinc/19/73/14/1035197314.db2.gz RSAAXFFEYRIBBL-HXUWFJFHSA-N 0 3 335.451 4.186 20 10 EICDHN CC(C)(C)OC(=O)NCCCCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000698162959 1035897338 /nfs/dbraw/zinc/89/73/38/1035897338.db2.gz LHXYXFQYUICFMT-MRXNPFEDSA-N 0 3 348.487 4.054 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1[O-] ZINC000761200500 1036031182 /nfs/dbraw/zinc/03/11/82/1036031182.db2.gz UTYHZLKMLVGLTI-GFCCVEGCSA-N 0 3 335.806 4.183 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1[O-] ZINC000761200500 1036031203 /nfs/dbraw/zinc/03/12/03/1036031203.db2.gz UTYHZLKMLVGLTI-GFCCVEGCSA-N 0 3 335.806 4.183 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1[O-] ZINC000761216383 1036157996 /nfs/dbraw/zinc/15/79/96/1036157996.db2.gz QEQOAVRHQMMEKH-AVCJSFLBSA-N 0 3 347.842 4.097 20 10 EICDHN CC[C@H]([NH2+]CCc1ccc(Br)s1)c1ccccc1[O-] ZINC000229549574 1037239689 /nfs/dbraw/zinc/23/96/89/1037239689.db2.gz VHSXSJVKUNFJEL-ZDUSSCGKSA-N 0 3 340.286 4.500 20 10 EICDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cc(F)cc(F)c1 ZINC000163611332 1037771149 /nfs/dbraw/zinc/77/11/49/1037771149.db2.gz PRJGXRAPVQKQKM-AWEZNQCLSA-N 0 3 348.462 4.369 20 10 EICDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1C2CCC1CC2 ZINC000912786728 1038295879 /nfs/dbraw/zinc/29/58/79/1038295879.db2.gz QEIGSKHGFQKVDJ-UHFFFAOYSA-N 0 3 332.241 4.435 20 10 EICDHN COc1ccc2ccc(O)c(CN3CCO[C@H](c4ccccc4)C3)c2c1 ZINC000029892571 1042430861 /nfs/dbraw/zinc/43/08/61/1042430861.db2.gz GXMIQMWTNBGHQF-QFIPXVFZSA-N 0 3 349.430 4.128 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@H](c4ccccc4)C3)c2c1 ZINC000029892571 1042430866 /nfs/dbraw/zinc/43/08/66/1042430866.db2.gz GXMIQMWTNBGHQF-QFIPXVFZSA-N 0 3 349.430 4.128 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@H](c4ccccc4)C3)c2c1 ZINC000029892571 1042430878 /nfs/dbraw/zinc/43/08/78/1042430878.db2.gz GXMIQMWTNBGHQF-QFIPXVFZSA-N 0 3 349.430 4.128 20 10 EICDHN COc1cccc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)c1O ZINC000727470981 1043228848 /nfs/dbraw/zinc/22/88/48/1043228848.db2.gz VKDABTLYYXKAPE-UHFFFAOYSA-N 0 3 338.234 4.487 20 10 EICDHN Cc1cccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000733334578 1044199364 /nfs/dbraw/zinc/19/93/64/1044199364.db2.gz MJDIAHFDQDCQEN-LJQANCHMSA-N 0 3 344.886 4.108 20 10 EICDHN CCOc1cccc(CN[C@@H](CC)c2cc(F)ccc2OC)c1O ZINC000922620320 1044847775 /nfs/dbraw/zinc/84/77/75/1044847775.db2.gz QVJVESCHCDAFDH-INIZCTEOSA-N 0 3 333.403 4.180 20 10 EICDHN COc1ccc(N2CCC(NCc3ccsc3Cl)CC2)cc1 ZINC000790954904 1045635347 /nfs/dbraw/zinc/63/53/47/1045635347.db2.gz BLWPMCCLZUMYCX-UHFFFAOYSA-N 0 3 336.888 4.169 20 10 EICDHN COc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](C)c3c1c([O-])ccc3F)CCO2 ZINC000768288161 1045779111 /nfs/dbraw/zinc/77/91/11/1045779111.db2.gz XKNFSMCVXLLGBZ-UVBJJODRSA-N 0 3 343.398 4.202 20 10 EICDHN COc1cc(O)c(CN2C[C@@H](C)C[C@@H]2c2ccccc2F)cc1OC ZINC000768464835 1045810436 /nfs/dbraw/zinc/81/04/36/1045810436.db2.gz BCLSYIHIOJFAIW-SUMWQHHRSA-N 0 3 345.414 4.132 20 10 EICDHN CCCOc1c(CN(C)Cc2ccccc2O)cccc1OCC ZINC000768872140 1045849271 /nfs/dbraw/zinc/84/92/71/1045849271.db2.gz DSGPJWCGRMANKG-UHFFFAOYSA-N 0 3 329.440 4.212 20 10 EICDHN COc1cccc([O-])c1C[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000769021420 1045870580 /nfs/dbraw/zinc/87/05/80/1045870580.db2.gz INPQRYCLKSPYNH-UHFFFAOYSA-N 0 3 341.451 4.061 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000769004637 1045875315 /nfs/dbraw/zinc/87/53/15/1045875315.db2.gz QYQXJKSJEREVGG-UHFFFAOYSA-N 0 3 333.435 4.162 20 10 EICDHN CCOc1ccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c([O-])c1 ZINC000769426894 1045959895 /nfs/dbraw/zinc/95/98/95/1045959895.db2.gz JZOHHESKESAJLY-IBGZPJMESA-N 0 3 329.465 4.081 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c([O-])c1 ZINC000769426894 1045959883 /nfs/dbraw/zinc/95/98/83/1045959883.db2.gz JZOHHESKESAJLY-IBGZPJMESA-N 0 3 329.465 4.081 20 10 EICDHN CCN1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])[C@@H](C)C1 ZINC000769482763 1045969268 /nfs/dbraw/zinc/96/92/68/1045969268.db2.gz DYWYWNIQRSLXSU-LAUBAEHRSA-N 0 3 338.495 4.221 20 10 EICDHN CCN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])[C@@H](C)C1 ZINC000769482763 1045969256 /nfs/dbraw/zinc/96/92/56/1045969256.db2.gz DYWYWNIQRSLXSU-LAUBAEHRSA-N 0 3 338.495 4.221 20 10 EICDHN COc1cc(F)cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000769693009 1046045734 /nfs/dbraw/zinc/04/57/34/1046045734.db2.gz XVGYVLPQWNQLQO-UHFFFAOYSA-N 0 3 337.394 4.497 20 10 EICDHN CN(C)c1ccc(CN[C@H](c2cccnc2)C2CC2)c(C(F)(F)F)c1 ZINC000793025462 1046132968 /nfs/dbraw/zinc/13/29/68/1046132968.db2.gz DOQAYXNUNCIUMK-SFHVURJKSA-N 0 3 349.400 4.407 20 10 EICDHN CN(C)c1ccc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)cc1F ZINC000770293934 1046172906 /nfs/dbraw/zinc/17/29/06/1046172906.db2.gz ZTJNSLLOBPSKEQ-QAPCUYQASA-N 0 3 348.487 4.041 20 10 EICDHN CCCN(CCC)c1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793387452 1046230050 /nfs/dbraw/zinc/23/00/50/1046230050.db2.gz DSKHRIXWRNSXJB-UHFFFAOYSA-N 0 3 342.483 4.317 20 10 EICDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c(C(F)F)n1 ZINC000770651681 1046251441 /nfs/dbraw/zinc/25/14/41/1046251441.db2.gz BKMYALYLYDFCFG-UHFFFAOYSA-N 0 3 335.398 4.008 20 10 EICDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c(C(F)F)n1 ZINC000770651681 1046251458 /nfs/dbraw/zinc/25/14/58/1046251458.db2.gz BKMYALYLYDFCFG-UHFFFAOYSA-N 0 3 335.398 4.008 20 10 EICDHN CCN(CC)c1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000916837551 1046380144 /nfs/dbraw/zinc/38/01/44/1046380144.db2.gz OENXEWARXIZWGU-UHFFFAOYSA-N 0 3 327.428 4.039 20 10 EICDHN CSc1cc(CNCc2ccc(N3CCCCC3)cc2)ccn1 ZINC000771883713 1046511086 /nfs/dbraw/zinc/51/10/86/1046511086.db2.gz YQHDPQUQVOYPDD-UHFFFAOYSA-N 0 3 327.497 4.084 20 10 EICDHN Cc1nc2ccccc2nc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917074774 1046638543 /nfs/dbraw/zinc/63/85/43/1046638543.db2.gz GFWUDJLREOXKPK-UHFFFAOYSA-N 0 3 348.494 4.415 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)c([O-])c1 ZINC000785578959 1046722331 /nfs/dbraw/zinc/72/23/31/1046722331.db2.gz CTGMGJQOJQCKJK-CSODHUTKSA-N 0 3 326.484 4.351 20 10 EICDHN Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000786165930 1046814261 /nfs/dbraw/zinc/81/42/61/1046814261.db2.gz XIBRKTAVBPNHMA-JOCHJYFZSA-N 0 3 347.458 4.061 20 10 EICDHN CCOc1cccc(CN(C)[C@H](COC)c2ccc(Cl)cc2)c1O ZINC000787332749 1046978973 /nfs/dbraw/zinc/97/89/73/1046978973.db2.gz ODODYRIJWMNOGJ-QGZVFWFLSA-N 0 3 349.858 4.264 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCSC(C)C)c1[O-] ZINC000806168183 1047155047 /nfs/dbraw/zinc/15/50/47/1047155047.db2.gz WSHOXDUABGLGJP-LLVKDONJSA-N 0 3 332.307 4.255 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccccc1[O-] ZINC000154827796 1047667994 /nfs/dbraw/zinc/66/79/94/1047667994.db2.gz PLHAUOIAHIIIDW-DLBZAZTESA-N 0 3 330.497 4.332 20 10 EICDHN CCN(CC)c1ccc(CN[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000808425510 1047889139 /nfs/dbraw/zinc/88/91/39/1047889139.db2.gz FZWPIFOIBQWDDJ-OAQYLSRUSA-N 0 3 343.490 4.064 20 10 EICDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000808447464 1047911550 /nfs/dbraw/zinc/91/15/50/1047911550.db2.gz ZUUDELBDAGNZQJ-KSFYIVLOSA-N 0 3 333.431 4.271 20 10 EICDHN Cc1ccncc1CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000824909939 1047982018 /nfs/dbraw/zinc/98/20/18/1047982018.db2.gz SHQGQCRSFKHKJO-UHFFFAOYSA-N 0 3 343.474 4.243 20 10 EICDHN COc1cccc([C@H]2C[C@H]([NH2+]Cc3cc(Cl)cc(OC)c3[O-])C2)c1 ZINC000825090504 1048036310 /nfs/dbraw/zinc/03/63/10/1048036310.db2.gz AYIIIXWASVFMPD-SAZUREKKSA-N 0 3 347.842 4.099 20 10 EICDHN COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808689278 1048038574 /nfs/dbraw/zinc/03/85/74/1048038574.db2.gz BHBKHZJVYRLXIG-CYBMUJFWSA-N 0 3 334.847 4.225 20 10 EICDHN COc1nc(C)cc(C)c1CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000808689278 1048038582 /nfs/dbraw/zinc/03/85/82/1048038582.db2.gz BHBKHZJVYRLXIG-CYBMUJFWSA-N 0 3 334.847 4.225 20 10 EICDHN COc1cccc([O-])c1C[NH+]1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000825124308 1048040898 /nfs/dbraw/zinc/04/08/98/1048040898.db2.gz MRYSSIOBLXHWQC-UHFFFAOYSA-N 0 3 337.341 4.019 20 10 EICDHN COc1cccc(O)c1CN1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000825124308 1048040913 /nfs/dbraw/zinc/04/09/13/1048040913.db2.gz MRYSSIOBLXHWQC-UHFFFAOYSA-N 0 3 337.341 4.019 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCn2cnc3ccccc32)c1[O-] ZINC000808672724 1048045892 /nfs/dbraw/zinc/04/58/92/1048045892.db2.gz RYMKVJHEGZRIHX-AWEZNQCLSA-N 0 3 343.858 4.445 20 10 EICDHN CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808677005 1048048724 /nfs/dbraw/zinc/04/87/24/1048048724.db2.gz VWZLNMJAPOIZHB-LBPRGKRZSA-N 0 3 332.831 4.163 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc(Cl)nc2)c1[O-] ZINC000808703359 1048050636 /nfs/dbraw/zinc/05/06/36/1048050636.db2.gz XEGYADQFOCIULD-NSHDSACASA-N 0 3 325.239 4.296 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c1[O-] ZINC000808705512 1048051208 /nfs/dbraw/zinc/05/12/08/1048051208.db2.gz JBIOUODTZDVJOO-SCLBCKFNSA-N 0 3 331.843 4.319 20 10 EICDHN COc1ccc(COCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808703776 1048051428 /nfs/dbraw/zinc/05/14/28/1048051428.db2.gz WBFMXPGOKOEJQP-CQSZACIVSA-N 0 3 349.858 4.230 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1[O-] ZINC000808706112 1048051754 /nfs/dbraw/zinc/05/17/54/1048051754.db2.gz DCYXEJMHEKYZHA-CYBMUJFWSA-N 0 3 347.842 4.366 20 10 EICDHN COC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808717225 1048067445 /nfs/dbraw/zinc/06/74/45/1048067445.db2.gz CDHKRMUHAZNKDC-GFCCVEGCSA-N 0 3 348.830 4.383 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1[O-] ZINC000808695276 1048074387 /nfs/dbraw/zinc/07/43/87/1048074387.db2.gz KLZHTBODDKCBJQ-GHMZBOCLSA-N 0 3 345.830 4.348 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1[O-] ZINC000808695278 1048074953 /nfs/dbraw/zinc/07/49/53/1048074953.db2.gz KLZHTBODDKCBJQ-QWRGUYRKSA-N 0 3 345.830 4.348 20 10 EICDHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808700890 1048080786 /nfs/dbraw/zinc/08/07/86/1048080786.db2.gz MWJANXNSSDAPPZ-VHAXZPJVSA-N 0 3 343.920 4.084 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)c1[O-] ZINC000808700491 1048081256 /nfs/dbraw/zinc/08/12/56/1048081256.db2.gz LUPBAGAEKZZDOX-GFCCVEGCSA-N 0 3 327.852 4.127 20 10 EICDHN COCC1(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000815148509 1048367371 /nfs/dbraw/zinc/36/73/71/1048367371.db2.gz YBUREJMFMFGRGA-UHFFFAOYSA-N 0 3 325.452 4.356 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000809655852 1048455377 /nfs/dbraw/zinc/45/53/77/1048455377.db2.gz RPSUQZLIRKVNAY-NRFANRHFSA-N 0 3 340.511 4.382 20 10 EICDHN COc1cccc(CN2CCC(=Cc3cccc(F)c3)CC2)c1O ZINC000809735987 1048508194 /nfs/dbraw/zinc/50/81/94/1048508194.db2.gz BYTZYJWERSAIQW-UHFFFAOYSA-N 0 3 327.399 4.219 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCCn1ccnc1 ZINC000815562943 1048510252 /nfs/dbraw/zinc/51/02/52/1048510252.db2.gz QBMIHVUSDVYCAH-OAQYLSRUSA-N 0 3 349.478 4.333 20 10 EICDHN CCCn1ccnc1CCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000809755586 1048519352 /nfs/dbraw/zinc/51/93/52/1048519352.db2.gz LXILWFKSXPKNNL-UHFFFAOYSA-N 0 3 335.879 4.025 20 10 EICDHN CCCn1ccnc1CCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000809755586 1048519371 /nfs/dbraw/zinc/51/93/71/1048519371.db2.gz LXILWFKSXPKNNL-UHFFFAOYSA-N 0 3 335.879 4.025 20 10 EICDHN C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809756643 1048519813 /nfs/dbraw/zinc/51/98/13/1048519813.db2.gz HQUYQNVGFCKINW-NRFANRHFSA-N 0 3 325.452 4.186 20 10 EICDHN C[C@@]1(CCCO)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809756643 1048519825 /nfs/dbraw/zinc/51/98/25/1048519825.db2.gz HQUYQNVGFCKINW-NRFANRHFSA-N 0 3 325.452 4.186 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1(CO)CCCC1 ZINC000815617739 1048543491 /nfs/dbraw/zinc/54/34/91/1048543491.db2.gz UQZPBALPZONLOX-FQEVSTJZSA-N 0 3 339.479 4.208 20 10 EICDHN CSc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000815659987 1048561777 /nfs/dbraw/zinc/56/17/77/1048561777.db2.gz PHDUZVFUKFDEAN-KDOFPFPSSA-N 0 3 330.497 4.068 20 10 EICDHN CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223611 1048692802 /nfs/dbraw/zinc/69/28/02/1048692802.db2.gz OKHYZPNUUDEXOA-MRXNPFEDSA-N 0 3 344.421 4.325 20 10 EICDHN CCOc1c(Cl)cccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000845972837 1048773440 /nfs/dbraw/zinc/77/34/40/1048773440.db2.gz VCXDXMBLYLNMOJ-LBPRGKRZSA-N 0 3 335.831 4.304 20 10 EICDHN Cc1ccccc1[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513120 1048823417 /nfs/dbraw/zinc/82/34/17/1048823417.db2.gz HHVKVYHUXCOAPR-OAQYLSRUSA-N 0 3 333.431 4.427 20 10 EICDHN Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513120 1048823420 /nfs/dbraw/zinc/82/34/20/1048823420.db2.gz HHVKVYHUXCOAPR-OAQYLSRUSA-N 0 3 333.431 4.427 20 10 EICDHN COc1cccc([C@@H](C)NCc2cc(C)ccc2OC(F)F)c1O ZINC000846150205 1048823592 /nfs/dbraw/zinc/82/35/92/1048823592.db2.gz OGHWUTCPMXRJKL-GFCCVEGCSA-N 0 3 337.366 4.161 20 10 EICDHN COc1cccc([C@@H](C)N[C@H](C)c2ccccc2OC(F)F)c1O ZINC000846135373 1048829520 /nfs/dbraw/zinc/82/95/20/1048829520.db2.gz CHSCGRXJACOPJM-VXGBXAGGSA-N 0 3 337.366 4.414 20 10 EICDHN COc1cccc([C@@H](C)NCc2ccccc2Br)c1O ZINC000846141721 1048830432 /nfs/dbraw/zinc/83/04/32/1048830432.db2.gz MZAYWPZXBRKUCK-LLVKDONJSA-N 0 3 336.229 4.014 20 10 EICDHN COc1cccc([C@@H](C)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000846145842 1048832691 /nfs/dbraw/zinc/83/26/91/1048832691.db2.gz QPFUJRAWQQNJMZ-FZKQIMNGSA-N 0 3 339.439 4.325 20 10 EICDHN c1ccc([C@H]2N(Cc3ccc(N4CCOCC4)cc3)CC23CCC3)cc1 ZINC000816630501 1048840259 /nfs/dbraw/zinc/84/02/59/1048840259.db2.gz GKERGJXPQAQHQV-JOCHJYFZSA-N 0 3 348.490 4.250 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(N)ccc32)c2c1c(F)ccc2[O-] ZINC000817968111 1049072580 /nfs/dbraw/zinc/07/25/80/1049072580.db2.gz PDCCCJVTRBPQAN-ZTFRIQLXSA-N 0 3 326.415 4.329 20 10 EICDHN CC[C@H]([NH2+]C[C@]1(C)CCCNC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817966447 1049073415 /nfs/dbraw/zinc/07/34/15/1049073415.db2.gz OBQAIPLVTCPUCN-GOEBONIOSA-N 0 3 331.287 4.129 20 10 EICDHN CC[C@H](N[C@H]1CCOc2c(OC)cccc21)c1ccc(N(C)C)cc1 ZINC000772984351 1049212373 /nfs/dbraw/zinc/21/23/73/1049212373.db2.gz DXRWSSSVFMYHHZ-OALUTQOASA-N 0 3 340.467 4.326 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(OC(F)(F)F)cc1 ZINC000237589320 1049644395 /nfs/dbraw/zinc/64/43/95/1049644395.db2.gz GUJNXCMKELYAON-LBPRGKRZSA-N 0 3 337.341 4.371 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2CC(F)(F)C2)c1[O-] ZINC000813872646 1049829085 /nfs/dbraw/zinc/82/90/85/1049829085.db2.gz ISIMZIVHLGODKS-VIFPVBQESA-N 0 3 334.204 4.159 20 10 EICDHN CCCN(CCC)c1ccc(CN[C@@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC001178369660 1050447690 /nfs/dbraw/zinc/44/76/90/1050447690.db2.gz MWRLOQHFAVUXJD-IRXDYDNUSA-N 0 3 346.437 4.104 20 10 EICDHN C[C@H]([NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1[O-] ZINC001173674847 1050524811 /nfs/dbraw/zinc/52/48/11/1050524811.db2.gz HAXROWKWBGMVQT-KFWWJZLASA-N 0 3 348.487 4.219 20 10 EICDHN COc1ccc(C[N@H+](C)[C@H](c2ccccc2)C(C)C)c([O-])c1OC ZINC001179892366 1050805123 /nfs/dbraw/zinc/80/51/23/1050805123.db2.gz DVHZGSOWSNSGIQ-SFHVURJKSA-N 0 3 329.440 4.239 20 10 EICDHN COc1ccc(C[N@@H+](C)[C@H](c2ccccc2)C(C)C)c([O-])c1OC ZINC001179892366 1050805125 /nfs/dbraw/zinc/80/51/25/1050805125.db2.gz DVHZGSOWSNSGIQ-SFHVURJKSA-N 0 3 329.440 4.239 20 10 EICDHN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(CC)CC ZINC001179950751 1050827509 /nfs/dbraw/zinc/82/75/09/1050827509.db2.gz HHTPXAFAXQNDPO-RTBURBONSA-N 0 3 335.488 4.125 20 10 EICDHN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])C1(CC)CC ZINC001179950751 1050827519 /nfs/dbraw/zinc/82/75/19/1050827519.db2.gz HHTPXAFAXQNDPO-RTBURBONSA-N 0 3 335.488 4.125 20 10 EICDHN CCc1cccc(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC001180154799 1050903258 /nfs/dbraw/zinc/90/32/58/1050903258.db2.gz XQAVJOXADSLTKY-JXFKEZNVSA-N 0 3 325.452 4.225 20 10 EICDHN Cc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC001180194881 1050927374 /nfs/dbraw/zinc/92/73/74/1050927374.db2.gz NAAUCZFYXRLMOE-PZJWPPBQSA-N 0 3 325.452 4.300 20 10 EICDHN Cc1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC001180194881 1050927381 /nfs/dbraw/zinc/92/73/81/1050927381.db2.gz NAAUCZFYXRLMOE-PZJWPPBQSA-N 0 3 325.452 4.300 20 10 EICDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cc(Br)cs1 ZINC000193949801 1050941277 /nfs/dbraw/zinc/94/12/77/1050941277.db2.gz NQFWGKONTDKIIJ-NSHDSACASA-N 0 3 339.302 4.427 20 10 EICDHN COc1cc(C)cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1O ZINC001180293210 1050959387 /nfs/dbraw/zinc/95/93/87/1050959387.db2.gz XKHQIAIENWJVIP-UHFFFAOYSA-N 0 3 341.451 4.360 20 10 EICDHN COc1cc(C)cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1O ZINC001180293210 1050959388 /nfs/dbraw/zinc/95/93/88/1050959388.db2.gz XKHQIAIENWJVIP-UHFFFAOYSA-N 0 3 341.451 4.360 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001180348889 1050961801 /nfs/dbraw/zinc/96/18/01/1050961801.db2.gz FJGHHOBGFROLPT-QAPCUYQASA-N 0 3 344.886 4.046 20 10 EICDHN CCOc1cc2c(cc1C[NH2+][C@@H](CC)c1ccccc1[O-])O[C@H](C)C2 ZINC000183349211 1051095270 /nfs/dbraw/zinc/09/52/70/1051095270.db2.gz LUUMCYPTQKMUHK-KDOFPFPSSA-N 0 3 341.451 4.355 20 10 EICDHN CCCCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000183418317 1051117974 /nfs/dbraw/zinc/11/79/74/1051117974.db2.gz XYNLJEKFDNDZEX-OAHLLOKOSA-N 0 3 329.440 4.431 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1[O-] ZINC000183454958 1051127538 /nfs/dbraw/zinc/12/75/38/1051127538.db2.gz URQDDVOFBQTDRA-CQSZACIVSA-N 0 3 336.391 4.088 20 10 EICDHN C[C@H]([NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183504366 1051136972 /nfs/dbraw/zinc/13/69/72/1051136972.db2.gz HPLHTCLQQNTFER-JKSUJKDBSA-N 0 3 348.487 4.080 20 10 EICDHN Cc1ccc(C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)c([O-])c1 ZINC001181101996 1051147696 /nfs/dbraw/zinc/14/76/96/1051147696.db2.gz HXBIVGRHKDWQEA-UXHICEINSA-N 0 3 325.452 4.174 20 10 EICDHN CCCC[N@H+](Cc1ccccc1[O-])Cc1cc(C)cc(OC)c1O ZINC001181184676 1051173652 /nfs/dbraw/zinc/17/36/52/1051173652.db2.gz JVMQXJHDPRYHLK-UHFFFAOYSA-N 0 3 329.440 4.217 20 10 EICDHN CCCC[N@@H+](Cc1ccccc1[O-])Cc1cc(C)cc(OC)c1O ZINC001181184676 1051173662 /nfs/dbraw/zinc/17/36/62/1051173662.db2.gz JVMQXJHDPRYHLK-UHFFFAOYSA-N 0 3 329.440 4.217 20 10 EICDHN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])n(-c2ccccc2)n1 ZINC000183623806 1051184726 /nfs/dbraw/zinc/18/47/26/1051184726.db2.gz XCAPKCWZEDXPKY-WBVHZDCISA-N 0 3 335.451 4.168 20 10 EICDHN C[C@]1(C[NH2+]Cc2ccc(Cl)cc2[O-])CCN(Cc2ccccc2)C1 ZINC001181316341 1051207798 /nfs/dbraw/zinc/20/77/98/1051207798.db2.gz YPTMZOYXMPPUDF-HXUWFJFHSA-N 0 3 344.886 4.047 20 10 EICDHN CCOCc1cc(CN[C@H](C)c2ccncc2CC)ccc1OC ZINC000773426593 1051251055 /nfs/dbraw/zinc/25/10/55/1051251055.db2.gz DZDFEAMVMQRYOE-OAHLLOKOSA-N 0 3 328.456 4.040 20 10 EICDHN Cc1cc(Br)cc(CN2CCC=C(c3ccco3)C2)c1O ZINC001181689247 1051267043 /nfs/dbraw/zinc/26/70/43/1051267043.db2.gz XEFMGTHRSPLGRZ-UHFFFAOYSA-N 0 3 348.240 4.345 20 10 EICDHN CC[C@H](NCc1cc(-c2ccc(OC)cc2)no1)c1ccccc1O ZINC000775412769 1051279163 /nfs/dbraw/zinc/27/91/63/1051279163.db2.gz PVBQDUONKFNLMF-SFHVURJKSA-N 0 3 338.407 4.297 20 10 EICDHN CC[C@H]([NH2+]Cc1cc(-c2ccc(OC)cc2)no1)c1ccccc1[O-] ZINC000775412769 1051279172 /nfs/dbraw/zinc/27/91/72/1051279172.db2.gz PVBQDUONKFNLMF-SFHVURJKSA-N 0 3 338.407 4.297 20 10 EICDHN Cc1cc([C@H](C)NCc2ccc(N3CCSCC3)cc2)c(C)o1 ZINC000774131371 1051473309 /nfs/dbraw/zinc/47/33/09/1051473309.db2.gz OLRRPEGUTWMQMC-HNNXBMFYSA-N 0 3 330.497 4.300 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774188931 1051493248 /nfs/dbraw/zinc/49/32/48/1051493248.db2.gz KRUMNDCNQTVBNB-FQEVSTJZSA-N 0 3 339.439 4.136 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774213509 1051497328 /nfs/dbraw/zinc/49/73/28/1051497328.db2.gz OAKARJXDXSKEBH-TUAOUCFPSA-N 0 3 331.287 4.222 20 10 EICDHN Cc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000774484864 1051614620 /nfs/dbraw/zinc/61/46/20/1051614620.db2.gz RTDITGWRQMLTFQ-DLBZAZTESA-N 0 3 339.483 4.047 20 10 EICDHN CCOc1cc(CCC[NH2+][C@@H](CC)c2ccccc2[O-])ccc1OC ZINC000775508766 1051639925 /nfs/dbraw/zinc/63/99/25/1051639925.db2.gz GEVNADHZZLZOOQ-SFHVURJKSA-N 0 3 343.467 4.473 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1[O-] ZINC000775507046 1051647198 /nfs/dbraw/zinc/64/71/98/1051647198.db2.gz GOMCJRQJNLFHGC-WBVHZDCISA-N 0 3 340.250 4.473 20 10 EICDHN CC[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccccc1[O-] ZINC000775514092 1051661997 /nfs/dbraw/zinc/66/19/97/1051661997.db2.gz VTHCIRACBVUINX-OALUTQOASA-N 0 3 335.451 4.150 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)c1[O-] ZINC001182755012 1051684038 /nfs/dbraw/zinc/68/40/38/1051684038.db2.gz PHVJCRHNPCBOPF-IBGZPJMESA-N 0 3 349.833 4.357 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)c1[O-] ZINC001182755012 1051684045 /nfs/dbraw/zinc/68/40/45/1051684045.db2.gz PHVJCRHNPCBOPF-IBGZPJMESA-N 0 3 349.833 4.357 20 10 EICDHN CN(C)c1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC001192444688 1051735380 /nfs/dbraw/zinc/73/53/80/1051735380.db2.gz YJBXLMGOPUQMRG-QGZVFWFLSA-N 0 3 330.859 4.059 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)c1[O-] ZINC001184238974 1051976909 /nfs/dbraw/zinc/97/69/09/1051976909.db2.gz IAXOQMOCNKFYMB-NSHDSACASA-N 0 3 348.231 4.378 20 10 EICDHN Cc1ncccc1CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001184217220 1051968643 /nfs/dbraw/zinc/96/86/43/1051968643.db2.gz COCZPTBLYGGHMC-UHFFFAOYSA-N 0 3 348.446 4.007 20 10 EICDHN C[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1[O-] ZINC000184581050 1052087011 /nfs/dbraw/zinc/08/70/11/1052087011.db2.gz ADVMPOHVCGHZMC-AOMKIAJQSA-N 0 3 333.431 4.443 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000184912158 1052295363 /nfs/dbraw/zinc/29/53/63/1052295363.db2.gz FBDCMBDQAWKHCZ-SNVBAGLBSA-N 0 3 329.293 4.281 20 10 EICDHN CC(C)[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000184896617 1052296700 /nfs/dbraw/zinc/29/67/00/1052296700.db2.gz RNJFXPJVFXGCOR-XCLFUZPHSA-N 0 3 345.414 4.350 20 10 EICDHN COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1OC(F)F ZINC000184950235 1052331009 /nfs/dbraw/zinc/33/10/09/1052331009.db2.gz ZXRGXIPZMNHBKK-GFCCVEGCSA-N 0 3 337.366 4.161 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)c([O-])c1 ZINC000185169953 1052508211 /nfs/dbraw/zinc/50/82/11/1052508211.db2.gz KDZDJLYFJLJRMT-HNNXBMFYSA-N 0 3 326.465 4.156 20 10 EICDHN C[C@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1cc(F)ccc1[O-] ZINC000185407011 1052596065 /nfs/dbraw/zinc/59/60/65/1052596065.db2.gz GFEWKQUMFINDER-RNODOKPDSA-N 0 3 325.383 4.069 20 10 EICDHN C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000325250799 1053035983 /nfs/dbraw/zinc/03/59/83/1053035983.db2.gz VDOUIIOBFPJZEF-HNAYVOBHSA-N 0 3 328.431 4.019 20 10 EICDHN COc1cc(CN[C@H](C)c2cnn(C(C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000850134895 1053075078 /nfs/dbraw/zinc/07/50/78/1053075078.db2.gz JKTGTKWTQODJEF-CQSZACIVSA-N 0 3 345.487 4.327 20 10 EICDHN Cc1cc(O)c(CNCc2cc(F)ccc2OC(F)F)cc1C ZINC000850409014 1053182812 /nfs/dbraw/zinc/18/28/12/1053182812.db2.gz YVESYCCWSTXMHJ-UHFFFAOYSA-N 0 3 325.330 4.039 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)c2ccccn2)c1[O-] ZINC000850482219 1053250979 /nfs/dbraw/zinc/25/09/79/1053250979.db2.gz MVXDOESSUVPULJ-QWHCGFSZSA-N 0 3 349.272 4.312 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnc(C(F)(F)F)nc2)c1[O-] ZINC000850485316 1053256185 /nfs/dbraw/zinc/25/61/85/1053256185.db2.gz DNQSGOGWVPQUOQ-SECBINFHSA-N 0 3 345.752 4.014 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)NCc2cnc(C(F)(F)F)nc2)c1O ZINC000850485316 1053256212 /nfs/dbraw/zinc/25/62/12/1053256212.db2.gz DNQSGOGWVPQUOQ-SECBINFHSA-N 0 3 345.752 4.014 20 10 EICDHN CCC(=O)Nc1cccc(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])c1 ZINC000794795921 1053382107 /nfs/dbraw/zinc/38/21/07/1053382107.db2.gz JRYXRHREVBQAAE-GOSISDBHSA-N 0 3 326.440 4.290 20 10 EICDHN CC[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000794792611 1053388305 /nfs/dbraw/zinc/38/83/05/1053388305.db2.gz GKHSTOMKISLCNQ-NRFANRHFSA-N 0 3 338.495 4.406 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccc(C)cc1[O-] ZINC000794804210 1053396490 /nfs/dbraw/zinc/39/64/90/1053396490.db2.gz UCRPKGGHDHCLEO-DOTOQJQBSA-N 0 3 329.440 4.217 20 10 EICDHN Cc1cccc(CN(C)Cc2cc(Br)cs2)c1O ZINC000775654231 1053398001 /nfs/dbraw/zinc/39/80/01/1053398001.db2.gz IYEKZTVJMYYSNI-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN CC[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794810720 1053416558 /nfs/dbraw/zinc/41/65/58/1053416558.db2.gz VKGMARKCFLVTSE-KRWDZBQOSA-N 0 3 348.487 4.141 20 10 EICDHN CC[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000794814435 1053421627 /nfs/dbraw/zinc/42/16/27/1053421627.db2.gz LEPBQVRGDIIJBW-QRTARXTBSA-N 0 3 345.405 4.225 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)cc1[O-] ZINC000794811847 1053429517 /nfs/dbraw/zinc/42/95/17/1053429517.db2.gz ZEMZWZRFIMILKK-SWLSCSKDSA-N 0 3 325.412 4.084 20 10 EICDHN CC[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000794818566 1053432401 /nfs/dbraw/zinc/43/24/01/1053432401.db2.gz UAWXMYAWJUIYTP-UYAOXDASSA-N 0 3 325.452 4.255 20 10 EICDHN C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000794827575 1053440328 /nfs/dbraw/zinc/44/03/28/1053440328.db2.gz KXMJLTBMFQSIDQ-DOTOQJQBSA-N 0 3 344.886 4.218 20 10 EICDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000765246808 1053476529 /nfs/dbraw/zinc/47/65/29/1053476529.db2.gz WNQLGITZRDRDOC-UONOGXRCSA-N 0 3 345.874 4.084 20 10 EICDHN CC[C@@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)[C@H](CC)CO1 ZINC001195862491 1053509661 /nfs/dbraw/zinc/50/96/61/1053509661.db2.gz MCNAKODYHJMAGU-WOJBJXKFSA-N 0 3 330.516 4.375 20 10 EICDHN CN1CCCc2cc(CN[C@@H]3CSCCc4ccccc43)ccc21 ZINC000765481729 1053567969 /nfs/dbraw/zinc/56/79/69/1053567969.db2.gz QLLCEZMSYLCDBN-HXUWFJFHSA-N 0 3 338.520 4.189 20 10 EICDHN CCC[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1[O-] ZINC000110990434 1053623420 /nfs/dbraw/zinc/62/34/20/1053623420.db2.gz XJFXELDIGMDNFU-UHFFFAOYSA-N 0 3 346.858 4.286 20 10 EICDHN CCC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1[O-] ZINC000110990434 1053623429 /nfs/dbraw/zinc/62/34/29/1053623429.db2.gz XJFXELDIGMDNFU-UHFFFAOYSA-N 0 3 346.858 4.286 20 10 EICDHN COc1cc(O)c(CN2CC[C@H](C)C[C@H]2c2ccc(C)o2)cc1OC ZINC000775735499 1053715511 /nfs/dbraw/zinc/71/55/11/1053715511.db2.gz QFPVAIQYKAQIFD-BBRMVZONSA-N 0 3 345.439 4.284 20 10 EICDHN C[C@@H](NCc1ccnc(F)c1)c1ccc(N2CCCCCC2)cc1 ZINC000866474799 1053744720 /nfs/dbraw/zinc/74/47/20/1053744720.db2.gz SVTLVMNGIKJOND-MRXNPFEDSA-N 0 3 327.447 4.452 20 10 EICDHN C[C@H](N[C@H]1CCCn2nccc21)c1ccc(N2CCCCCC2)cc1 ZINC000866632080 1053811458 /nfs/dbraw/zinc/81/14/58/1053811458.db2.gz HUKDEFSPWJIZIK-PXNSSMCTSA-N 0 3 338.499 4.449 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000122778726 1054034299 /nfs/dbraw/zinc/03/42/99/1054034299.db2.gz VUEVDRMACJTTLX-GOSISDBHSA-N 0 3 348.494 4.157 20 10 EICDHN Cc1ccc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1F ZINC000775826025 1054092638 /nfs/dbraw/zinc/09/26/38/1054092638.db2.gz BHVMVVRUUXZCAN-UHFFFAOYSA-N 0 3 338.220 4.200 20 10 EICDHN CN(C)c1ccc(CNCc2ccc(C(=O)OC(C)(C)C)s2)cc1 ZINC000858088917 1054414817 /nfs/dbraw/zinc/41/48/17/1054414817.db2.gz YJYPITFXRSECSN-UHFFFAOYSA-N 0 3 346.496 4.059 20 10 EICDHN CCCOc1ccc(CNCc2ccc(N3CCCC3)nc2)cc1C ZINC000873010588 1054476546 /nfs/dbraw/zinc/47/65/46/1054476546.db2.gz MASGPRDKVXWISY-UHFFFAOYSA-N 0 3 339.483 4.069 20 10 EICDHN CCCOc1ccc(CNCc2ccnc(N3CCCC3)c2)cc1C ZINC000873010944 1054476851 /nfs/dbraw/zinc/47/68/51/1054476851.db2.gz QYVJHJFHRNWBCT-UHFFFAOYSA-N 0 3 339.483 4.069 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2csc(C(F)(F)F)c2)c1 ZINC000858563365 1054517252 /nfs/dbraw/zinc/51/72/52/1054517252.db2.gz OZUKXRIJADDIRZ-VIFPVBQESA-N 0 3 331.359 4.332 20 10 EICDHN CN(C)c1ccc(/C=C\CN[C@H]2CCCOc3c(F)cccc32)cc1 ZINC001201742645 1054893114 /nfs/dbraw/zinc/89/31/14/1054893114.db2.gz RUTKYMQSUUJPMQ-MNBNYPOFSA-N 0 3 340.442 4.408 20 10 EICDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)c([O-])c1 ZINC000876969711 1054990830 /nfs/dbraw/zinc/99/08/30/1054990830.db2.gz XXTQHZZFBFABGE-ZDUSSCGKSA-N 0 3 339.357 4.493 20 10 EICDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756577 1055115126 /nfs/dbraw/zinc/11/51/26/1055115126.db2.gz UVCORPBBCSDBSK-MRXNPFEDSA-N 0 3 349.478 4.413 20 10 EICDHN CN(C)c1cc(F)c(CNC2(Cc3ccc(F)cc3)CC2)cc1F ZINC001202407101 1055159751 /nfs/dbraw/zinc/15/97/51/1055159751.db2.gz FLDCSPNRASWZOZ-UHFFFAOYSA-N 0 3 334.385 4.035 20 10 EICDHN COc1cc(CN[C@H]2CCCc3occc32)c(O)c(C(C)(C)C)c1 ZINC000850029773 1055326598 /nfs/dbraw/zinc/32/65/98/1055326598.db2.gz KBNKLQSFZUSYNV-KRWDZBQOSA-N 0 3 329.440 4.459 20 10 EICDHN Cc1ccccc1[C@H]1CN(Cc2cc3c(cc2O)CCC3)[C@@H](C)CO1 ZINC000742167422 1058528228 /nfs/dbraw/zinc/52/82/28/1058528228.db2.gz FVSRFMNRVBUXCS-KSFYIVLOSA-N 0 3 337.463 4.151 20 10 EICDHN Cc1cc(O)c(CNCc2cc(Br)ccc2F)cc1C ZINC000742366535 1058577596 /nfs/dbraw/zinc/57/75/96/1058577596.db2.gz JAKWMELIRABUHB-UHFFFAOYSA-N 0 3 338.220 4.200 20 10 EICDHN CC(C)(C)OC(=O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000744450638 1059528972 /nfs/dbraw/zinc/52/89/72/1059528972.db2.gz ZECQVDUKYJDMQO-UHFFFAOYSA-N 0 3 341.451 4.271 20 10 EICDHN COC(=O)C(C)(C)[C@H](NCc1ccc(OC)c(C)c1)c1ccccc1 ZINC000746468400 1060369696 /nfs/dbraw/zinc/36/96/96/1060369696.db2.gz ABKBMGWTWCMUTN-LJQANCHMSA-N 0 3 341.451 4.034 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c1[O-] ZINC000824971735 1048011441 /nfs/dbraw/zinc/01/14/41/1048011441.db2.gz XQWROJBAKRQJGS-CYBMUJFWSA-N 0 3 338.662 4.118 20 10 EICDHN Cc1ccc([C@@H](C)NCc2nc3cccc(Cl)c3n2C)c(O)c1C ZINC000274799379 1019601973 /nfs/dbraw/zinc/60/19/73/1019601973.db2.gz UQDGZENPQDVTRZ-CYBMUJFWSA-N 0 3 343.858 4.400 20 10 EICDHN Cc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000275392763 1020613525 /nfs/dbraw/zinc/61/35/25/1020613525.db2.gz YTYZYPVFDXVWIM-GFCCVEGCSA-N 0 3 335.245 4.017 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1[O-] ZINC000310661570 1021491940 /nfs/dbraw/zinc/49/19/40/1021491940.db2.gz ZIBKHRVTOSEILF-UXLLHSPISA-N 0 3 348.487 4.221 20 10 EICDHN C[C@@H](N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000179963646 1022405668 /nfs/dbraw/zinc/40/56/68/1022405668.db2.gz VHXXNSMFWWZJSV-AUUYWEPGSA-N 0 3 328.431 4.456 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1[O-] ZINC000155838774 1022509991 /nfs/dbraw/zinc/50/99/91/1022509991.db2.gz GTNZANAZAMEABR-LRDDRELGSA-N 0 3 333.403 4.350 20 10 EICDHN Cc1cc(N(C)C)ccc1CNCc1ccc(OC(F)F)c(F)c1 ZINC000168339514 1023202225 /nfs/dbraw/zinc/20/22/25/1023202225.db2.gz LBQIIAAVTZWRKP-UHFFFAOYSA-N 0 3 338.373 4.091 20 10 EICDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000377706342 1023699576 /nfs/dbraw/zinc/69/95/76/1023699576.db2.gz YVCDKXHHWBDNGP-ZDUSSCGKSA-N 0 3 337.370 4.044 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c([O-])c1 ZINC000756738876 1024273505 /nfs/dbraw/zinc/27/35/05/1024273505.db2.gz LZUBHJWXVVTXEI-BZNIZROVSA-N 0 3 340.250 4.392 20 10 EICDHN CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1nc(C)cs1 ZINC000150982989 1025242188 /nfs/dbraw/zinc/24/21/88/1025242188.db2.gz PTCRZFZRAIBPFU-GOSISDBHSA-N 0 3 345.512 4.170 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000157045107 1025787152 /nfs/dbraw/zinc/78/71/52/1025787152.db2.gz QEVFMYKJUMGJJV-YQVWRLOYSA-N 0 3 333.378 4.241 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000157045413 1025787946 /nfs/dbraw/zinc/78/79/46/1025787946.db2.gz QEVFMYKJUMGJJV-JENIJYKNSA-N 0 3 333.378 4.241 20 10 EICDHN CCC[N@H+](CCC(=O)Nc1ccc(C)c(F)c1)Cc1ccccc1[O-] ZINC001167521724 1025905173 /nfs/dbraw/zinc/90/51/73/1025905173.db2.gz HFAZSHKNJPUYIZ-UHFFFAOYSA-N 0 3 344.430 4.081 20 10 EICDHN CCC[N@@H+](CCC(=O)Nc1ccc(C)c(F)c1)Cc1ccccc1[O-] ZINC001167521724 1025905204 /nfs/dbraw/zinc/90/52/04/1025905204.db2.gz HFAZSHKNJPUYIZ-UHFFFAOYSA-N 0 3 344.430 4.081 20 10 EICDHN Cc1cccc2c1CCN(Cc1cc(C(C)(C)C)cc(O)c1O)C2 ZINC000729467065 1026347536 /nfs/dbraw/zinc/34/75/36/1026347536.db2.gz JQFXHNZTNLJCKX-UHFFFAOYSA-N 0 3 325.452 4.262 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000048400274 1026637320 /nfs/dbraw/zinc/63/73/20/1026637320.db2.gz LGUOLOJRLPSMQS-LBPRGKRZSA-N 0 3 332.241 4.235 20 10 EICDHN COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1C ZINC000896803653 1027857651 /nfs/dbraw/zinc/85/76/51/1027857651.db2.gz MYLZMUPJQMTEJQ-LBPRGKRZSA-N 0 3 335.831 4.222 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1cccc(OC(F)F)c1 ZINC000475198187 1029428051 /nfs/dbraw/zinc/42/80/51/1029428051.db2.gz OTHZOBJXLDEOGL-UHFFFAOYSA-N 0 3 330.378 4.378 20 10 EICDHN CN(C)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000725841876 1031347202 /nfs/dbraw/zinc/34/72/02/1031347202.db2.gz QHRFBIHWLZTFLC-UHFFFAOYSA-N 0 3 332.447 4.415 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000761198746 1036013026 /nfs/dbraw/zinc/01/30/26/1036013026.db2.gz LPXDBGHWWONENU-CYBMUJFWSA-N 0 3 335.806 4.183 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000761198746 1036013054 /nfs/dbraw/zinc/01/30/54/1036013054.db2.gz LPXDBGHWWONENU-CYBMUJFWSA-N 0 3 335.806 4.183 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2SCCc3ccccc32)c1[O-] ZINC000761208203 1036058392 /nfs/dbraw/zinc/05/83/92/1036058392.db2.gz VWHMGWMHGOUVQY-QGZVFWFLSA-N 0 3 349.883 4.174 20 10 EICDHN CCN(Cc1ccccn1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164472320 1036165148 /nfs/dbraw/zinc/16/51/48/1036165148.db2.gz PYUTWCVZLRFMCH-UHFFFAOYSA-N 0 3 328.456 4.115 20 10 EICDHN C[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)c1ccccc1[O-] ZINC000272810446 1037302039 /nfs/dbraw/zinc/30/20/39/1037302039.db2.gz CZPNEYZOZONNKL-NHYWBVRUSA-N 0 3 348.240 4.329 20 10 EICDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(Nc2nc(C)cs2)CC1 ZINC000366674577 1041836674 /nfs/dbraw/zinc/83/66/74/1041836674.db2.gz BZWRJHHLTAIOPA-MRXNPFEDSA-N 0 3 331.485 4.185 20 10 EICDHN Cc1cc(CCNCc2csc(C)n2)c(C)n1-c1ccccc1 ZINC000761573998 1042885440 /nfs/dbraw/zinc/88/54/40/1042885440.db2.gz VNFHXJQRAPAXLJ-UHFFFAOYSA-N 0 3 325.481 4.191 20 10 EICDHN CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000727645430 1043256025 /nfs/dbraw/zinc/25/60/25/1043256025.db2.gz JXXGGEFSNUVJMQ-OAQYLSRUSA-N 0 3 349.478 4.460 20 10 EICDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922002964 1043292614 /nfs/dbraw/zinc/29/26/14/1043292614.db2.gz WQOQXWUVLHXEQF-AWEZNQCLSA-N 0 3 327.472 4.122 20 10 EICDHN COc1ccc(C2(NCc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000731679035 1043816277 /nfs/dbraw/zinc/81/62/77/1043816277.db2.gz UAZWVABBMNFDFY-UHFFFAOYSA-N 0 3 336.479 4.464 20 10 EICDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)Nc1ccccc1 ZINC000732569618 1043963626 /nfs/dbraw/zinc/96/36/26/1043963626.db2.gz LQZTZWCCOSTQMM-INIZCTEOSA-N 0 3 346.430 4.176 20 10 EICDHN CC[C@@H]([NH2+]C[C@](C)(COCc1ccccc1)OC)c1ccccc1[O-] ZINC000702796023 1044004819 /nfs/dbraw/zinc/00/48/19/1044004819.db2.gz MBQWKQIDGAWTKV-TZIWHRDSSA-N 0 3 343.467 4.055 20 10 EICDHN Cc1ccccc1[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732821880 1044012956 /nfs/dbraw/zinc/01/29/56/1044012956.db2.gz BOEUICGYJQFQHQ-QFIPXVFZSA-N 0 3 333.431 4.191 20 10 EICDHN O=C(CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])Nc1ccccc1 ZINC000733329902 1044194179 /nfs/dbraw/zinc/19/41/79/1044194179.db2.gz FBIHBYFTLZJXJQ-UHFFFAOYSA-N 0 3 346.430 4.178 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)c2c1 ZINC000766118828 1044220906 /nfs/dbraw/zinc/22/09/06/1044220906.db2.gz OMFCCILLWDJSCX-LBPRGKRZSA-N 0 3 339.357 4.328 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)c2c1 ZINC000766118828 1044220923 /nfs/dbraw/zinc/22/09/23/1044220923.db2.gz OMFCCILLWDJSCX-LBPRGKRZSA-N 0 3 339.357 4.328 20 10 EICDHN COc1ccc(C2CC2)cc1CNCc1cc(Cl)cc(OC)c1O ZINC000895538294 1044804209 /nfs/dbraw/zinc/80/42/09/1044804209.db2.gz BVFWWCJODDHKIL-UHFFFAOYSA-N 0 3 347.842 4.230 20 10 EICDHN Cc1cccn2cc(CNCc3cc(-c4ccccc4)ccc3O)nc12 ZINC000736641132 1044960567 /nfs/dbraw/zinc/96/05/67/1044960567.db2.gz AWLDETLSYKIUDE-UHFFFAOYSA-N 0 3 343.430 4.305 20 10 EICDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)Nc1ccccc1 ZINC000732569620 1045484093 /nfs/dbraw/zinc/48/40/93/1045484093.db2.gz LQZTZWCCOSTQMM-MRXNPFEDSA-N 0 3 346.430 4.176 20 10 EICDHN Cc1nccn1CCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742373884 1045655357 /nfs/dbraw/zinc/65/53/57/1045655357.db2.gz TWJBAMAHHZRTPR-UHFFFAOYSA-N 0 3 335.451 4.134 20 10 EICDHN Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000768163461 1045730654 /nfs/dbraw/zinc/73/06/54/1045730654.db2.gz YZZNFZMWHHVZFI-IBGZPJMESA-N 0 3 329.415 4.021 20 10 EICDHN Cc1cc(F)ccc1C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000768163461 1045730671 /nfs/dbraw/zinc/73/06/71/1045730671.db2.gz YZZNFZMWHHVZFI-IBGZPJMESA-N 0 3 329.415 4.021 20 10 EICDHN Oc1ccccc1CN(Cc1cnc2ccccc2c1)C[C@H]1CCCO1 ZINC000768163443 1045732079 /nfs/dbraw/zinc/73/20/79/1045732079.db2.gz YXTSTXLPAMESJQ-HXUWFJFHSA-N 0 3 348.446 4.122 20 10 EICDHN CCOc1ccc(O)c(CN2CCSC[C@@H]2c2ccccc2)c1 ZINC000768248942 1045762806 /nfs/dbraw/zinc/76/28/06/1045762806.db2.gz LCEQFSOSTKLSQH-GOSISDBHSA-N 0 3 329.465 4.081 20 10 EICDHN CCOc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c([O-])c1 ZINC000768258205 1045768098 /nfs/dbraw/zinc/76/80/98/1045768098.db2.gz UJOALCGBVMLLAX-UHFFFAOYSA-N 0 3 340.467 4.022 20 10 EICDHN CCOc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c([O-])c1 ZINC000768258205 1045768120 /nfs/dbraw/zinc/76/81/20/1045768120.db2.gz UJOALCGBVMLLAX-UHFFFAOYSA-N 0 3 340.467 4.022 20 10 EICDHN CN(C)c1ccc(CN(Cc2nccc3ccccc32)C2CC2)cc1 ZINC000768257594 1045769151 /nfs/dbraw/zinc/76/91/51/1045769151.db2.gz NKORRYHNWVZRQO-UHFFFAOYSA-N 0 3 331.463 4.465 20 10 EICDHN C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000768293111 1045780630 /nfs/dbraw/zinc/78/06/30/1045780630.db2.gz LLISQQGBKSXIMO-SZFUDVHCSA-N 0 3 329.484 4.127 20 10 EICDHN CC(C)N(Cc1c[nH]nc1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000768352657 1045794733 /nfs/dbraw/zinc/79/47/33/1045794733.db2.gz QTTRWSSZIDMGEJ-UHFFFAOYSA-N 0 3 328.504 4.184 20 10 EICDHN COc1cccc([O-])c1C[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000769209447 1045893148 /nfs/dbraw/zinc/89/31/48/1045893148.db2.gz BZUXYQURAIZWID-UTKZUKDTSA-N 0 3 341.451 4.001 20 10 EICDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000769209447 1045893152 /nfs/dbraw/zinc/89/31/52/1045893152.db2.gz BZUXYQURAIZWID-UTKZUKDTSA-N 0 3 341.451 4.001 20 10 EICDHN COc1cccc([O-])c1C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000769209444 1045893685 /nfs/dbraw/zinc/89/36/85/1045893685.db2.gz BZUXYQURAIZWID-DYESRHJHSA-N 0 3 341.451 4.001 20 10 EICDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000769209444 1045893689 /nfs/dbraw/zinc/89/36/89/1045893689.db2.gz BZUXYQURAIZWID-DYESRHJHSA-N 0 3 341.451 4.001 20 10 EICDHN CCOc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)c([O-])c1 ZINC000769217661 1045896378 /nfs/dbraw/zinc/89/63/78/1045896378.db2.gz JEHZLKOLHBVXPV-UHFFFAOYSA-N 0 3 333.472 4.105 20 10 EICDHN Cc1cccn2c(C[N@H+](Cc3ccccc3[O-])C3CCCC3)cnc12 ZINC000769385250 1045946484 /nfs/dbraw/zinc/94/64/84/1045946484.db2.gz UPJRTPYDBBHVLF-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN Cc1cccn2c(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)cnc12 ZINC000769385250 1045946497 /nfs/dbraw/zinc/94/64/97/1045946497.db2.gz UPJRTPYDBBHVLF-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCc4ccsc4C3)c2c1 ZINC000760283211 1045952450 /nfs/dbraw/zinc/95/24/50/1045952450.db2.gz BQMBJZCPEXXXEE-UHFFFAOYSA-N 0 3 325.433 4.174 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCc4ccsc4C3)c2c1 ZINC000760283211 1045952464 /nfs/dbraw/zinc/95/24/64/1045952464.db2.gz BQMBJZCPEXXXEE-UHFFFAOYSA-N 0 3 325.433 4.174 20 10 EICDHN COc1ccc(CN[C@H](C)c2cc(OC)c(OC)cc2C)cc1C ZINC000067690433 1045980154 /nfs/dbraw/zinc/98/01/54/1045980154.db2.gz KOMMEQOYFFLEDB-OAHLLOKOSA-N 0 3 329.440 4.180 20 10 EICDHN Cc1cccc(NC2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)c1 ZINC000769469955 1045985535 /nfs/dbraw/zinc/98/55/35/1045985535.db2.gz IJDFKGSMQHHDQS-UHFFFAOYSA-N 0 3 341.474 4.277 20 10 EICDHN CN(C)c1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1F ZINC000770293930 1046174074 /nfs/dbraw/zinc/17/40/74/1046174074.db2.gz ZTJNSLLOBPSKEQ-CRAIPNDOSA-N 0 3 348.487 4.041 20 10 EICDHN COc1ccc(C[NH2+][C@@H](C)CCc2ccc(Cl)s2)c([O-])c1 ZINC000793386749 1046229005 /nfs/dbraw/zinc/22/90/05/1046229005.db2.gz YVHZZYGXALFGQN-NSHDSACASA-N 0 3 325.861 4.227 20 10 EICDHN COc1ccc(CNCc2ccc(F)c(Cl)c2Cl)c(O)c1 ZINC000793388049 1046229065 /nfs/dbraw/zinc/22/90/65/1046229065.db2.gz JJMJHUOFKBFEDV-UHFFFAOYSA-N 0 3 330.186 4.137 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000310997585 1046268785 /nfs/dbraw/zinc/26/87/85/1046268785.db2.gz WYAMBZBMPNYQSO-UHFFFAOYSA-N 0 3 337.394 4.400 20 10 EICDHN Cc1cc(Cl)cc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1O ZINC000793613263 1046312016 /nfs/dbraw/zinc/31/20/16/1046312016.db2.gz LSOOLVIPIGRXHV-OCCSQVGLSA-N 0 3 334.674 4.370 20 10 EICDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1[O-] ZINC000793613263 1046312031 /nfs/dbraw/zinc/31/20/31/1046312031.db2.gz LSOOLVIPIGRXHV-OCCSQVGLSA-N 0 3 334.674 4.370 20 10 EICDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1[O-] ZINC000793613263 1046312040 /nfs/dbraw/zinc/31/20/40/1046312040.db2.gz LSOOLVIPIGRXHV-OCCSQVGLSA-N 0 3 334.674 4.370 20 10 EICDHN [O-]c1ccccc1C[NH2+]CCc1cc(Cl)ccc1Br ZINC000771981909 1046542048 /nfs/dbraw/zinc/54/20/48/1046542048.db2.gz VWKAZWYWZMEVMX-UHFFFAOYSA-N 0 3 340.648 4.140 20 10 EICDHN CC(C)[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccnn1C ZINC000788076989 1047103518 /nfs/dbraw/zinc/10/35/18/1047103518.db2.gz RAWCFWUKYHOBHV-HXUWFJFHSA-N 0 3 349.478 4.322 20 10 EICDHN CCC(O)(CC)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000788261886 1047145246 /nfs/dbraw/zinc/14/52/46/1047145246.db2.gz LQNHTZIPFZAVQV-GFCCVEGCSA-N 0 3 344.293 4.055 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCSC2)c1[O-] ZINC000806178095 1047186592 /nfs/dbraw/zinc/18/65/92/1047186592.db2.gz OSJYIXMMBHAQJQ-NEPJUHHUSA-N 0 3 344.318 4.257 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(C)cc1[O-] ZINC000806179779 1047200977 /nfs/dbraw/zinc/20/09/77/1047200977.db2.gz HKCIOBZLMQWBNS-YJBOKZPZSA-N 0 3 333.859 4.171 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(C)cc1[O-] ZINC000806179776 1047201455 /nfs/dbraw/zinc/20/14/55/1047201455.db2.gz HKCIOBZLMQWBNS-CRAIPNDOSA-N 0 3 333.859 4.171 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000788563021 1047225865 /nfs/dbraw/zinc/22/58/65/1047225865.db2.gz JEKRNSSUFZRFIK-SJORKVTESA-N 0 3 342.458 4.325 20 10 EICDHN CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H](O)c1ccccc1 ZINC000788622589 1047253267 /nfs/dbraw/zinc/25/32/67/1047253267.db2.gz SBJAQJDBKNTZGE-JTVBXEMZSA-N 0 3 343.442 4.427 20 10 EICDHN CC(C)[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H](O)c1ccccc1 ZINC000788622588 1047254064 /nfs/dbraw/zinc/25/40/64/1047254064.db2.gz SBJAQJDBKNTZGE-JKDHXBHNSA-N 0 3 343.442 4.427 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000789769231 1047470032 /nfs/dbraw/zinc/47/00/32/1047470032.db2.gz NVCCHGLGRLKZFT-OAQYLSRUSA-N 0 3 346.430 4.108 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000789769231 1047470040 /nfs/dbraw/zinc/47/00/40/1047470040.db2.gz NVCCHGLGRLKZFT-OAQYLSRUSA-N 0 3 346.430 4.108 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CSc3ccccc32)c1[O-] ZINC000824482657 1047874438 /nfs/dbraw/zinc/87/44/38/1047874438.db2.gz BLXSLCHDSFJMPI-GFCCVEGCSA-N 0 3 335.856 4.033 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000808451266 1047915593 /nfs/dbraw/zinc/91/55/93/1047915593.db2.gz KKBFRTIIGGSLHL-IBGZPJMESA-N 0 3 331.415 4.325 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824751589 1047939501 /nfs/dbraw/zinc/93/95/01/1047939501.db2.gz ZWKXVHSTSBLCFJ-QGZVFWFLSA-N 0 3 337.463 4.498 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c1[O-] ZINC000808680131 1048034461 /nfs/dbraw/zinc/03/44/61/1048034461.db2.gz CQRYAAYWZZHBAN-ZIAGYGMSSA-N 0 3 331.843 4.256 20 10 EICDHN COc1ccccc1OCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808673026 1048045342 /nfs/dbraw/zinc/04/53/42/1048045342.db2.gz VVFITDNYTPCJKK-CYBMUJFWSA-N 0 3 335.831 4.092 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1[O-] ZINC000808672839 1048046747 /nfs/dbraw/zinc/04/67/47/1048046747.db2.gz SGUBORPCOWSAIY-DOMZBBRYSA-N 0 3 338.904 4.369 20 10 EICDHN COCCOc1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808678380 1048048447 /nfs/dbraw/zinc/04/84/47/1048048447.db2.gz OXBZJYLEGHCBMA-CQSZACIVSA-N 0 3 349.858 4.230 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1[O-] ZINC000808679419 1048049538 /nfs/dbraw/zinc/04/95/38/1048049538.db2.gz ONYJHSRXMMFTAK-CZUORRHYSA-N 0 3 335.879 4.316 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000808706276 1048052625 /nfs/dbraw/zinc/05/26/25/1048052625.db2.gz GKLPHZBMRYCJJM-ZQIUZPCESA-N 0 3 325.880 4.336 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c1[O-] ZINC000808708918 1048056725 /nfs/dbraw/zinc/05/67/25/1048056725.db2.gz RVZGJEBZXWWCMW-SCLBCKFNSA-N 0 3 330.859 4.191 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000808715399 1048064137 /nfs/dbraw/zinc/06/41/37/1048064137.db2.gz CTFRDQMDZHAWJJ-BBRMVZONSA-N 0 3 347.890 4.340 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c1[O-] ZINC000808718301 1048066630 /nfs/dbraw/zinc/06/66/30/1048066630.db2.gz SOZZFANWWYJTDM-JTQLQIEISA-N 0 3 342.773 4.201 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1[O-] ZINC000808694873 1048076997 /nfs/dbraw/zinc/07/69/97/1048076997.db2.gz GVYRBDGNJAGMGH-VXGBXAGGSA-N 0 3 347.846 4.256 20 10 EICDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H]2c2ccccn2)c1 ZINC000919954920 1048339044 /nfs/dbraw/zinc/33/90/44/1048339044.db2.gz UIKKIXYFCPGUIF-KRWDZBQOSA-N 0 3 326.440 4.127 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2occc2c1)C[C@H]1CCCO1 ZINC000809538869 1048398383 /nfs/dbraw/zinc/39/83/83/1048398383.db2.gz UNBJDHBEDIRYNU-LJQANCHMSA-N 0 3 337.419 4.320 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc2occc2c1)C[C@H]1CCCO1 ZINC000809538869 1048398392 /nfs/dbraw/zinc/39/83/92/1048398392.db2.gz UNBJDHBEDIRYNU-LJQANCHMSA-N 0 3 337.419 4.320 20 10 EICDHN CCN1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815553517 1048504675 /nfs/dbraw/zinc/50/46/75/1048504675.db2.gz BUXHRHWAJBJOIY-NRFANRHFSA-N 0 3 338.495 4.140 20 10 EICDHN CC[C@H](C)[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579270 1048518577 /nfs/dbraw/zinc/51/85/77/1048518577.db2.gz JBGDYCWVCNQISE-SCWSEQNSSA-N 0 3 327.468 4.063 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@@H](CC)c2ccccc2OC)c([O-])c1 ZINC000809781324 1048531051 /nfs/dbraw/zinc/53/10/51/1048531051.db2.gz QHDVJNGAJLMHNJ-SFHVURJKSA-N 0 3 329.440 4.383 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@@H](CC)c2ccccc2OC)c([O-])c1 ZINC000809781324 1048531057 /nfs/dbraw/zinc/53/10/57/1048531057.db2.gz QHDVJNGAJLMHNJ-SFHVURJKSA-N 0 3 329.440 4.383 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c([O-])c1 ZINC000815598663 1048531618 /nfs/dbraw/zinc/53/16/18/1048531618.db2.gz ZTMWVFLZCRLCRL-IEBWSBKVSA-N 0 3 341.495 4.462 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOC(F)(F)F ZINC000815619166 1048544224 /nfs/dbraw/zinc/54/42/24/1048544224.db2.gz FLDISOOOWGBPIG-INIZCTEOSA-N 0 3 339.357 4.192 20 10 EICDHN CO[C@](C)(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815627770 1048554087 /nfs/dbraw/zinc/55/40/87/1048554087.db2.gz JAKRGGDTVKXFIH-RBBKRZOGSA-N 0 3 339.479 4.471 20 10 EICDHN CC[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(C)cc1[O-] ZINC000815637189 1048564756 /nfs/dbraw/zinc/56/47/56/1048564756.db2.gz PZBDTBOTACWZQY-OAHLLOKOSA-N 0 3 338.373 4.398 20 10 EICDHN CN(C)c1cc(Cl)cc(Cl)c1CNCc1ccccc1O ZINC000810141736 1048646028 /nfs/dbraw/zinc/64/60/28/1048646028.db2.gz IUUNIPUCDCHTEH-UHFFFAOYSA-N 0 3 325.239 4.055 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209961 1048706387 /nfs/dbraw/zinc/70/63/87/1048706387.db2.gz XSKJYFWJXYFSJN-ARFHVFGLSA-N 0 3 342.405 4.079 20 10 EICDHN Oc1ccccc1CNC1(c2ccccc2Br)CCC1 ZINC000845994568 1048794704 /nfs/dbraw/zinc/79/47/04/1048794704.db2.gz GRCCOIFZDRGPDQ-UHFFFAOYSA-N 0 3 332.241 4.324 20 10 EICDHN COc1cccc([C@@H](C)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1O ZINC000846153229 1048824779 /nfs/dbraw/zinc/82/47/79/1048824779.db2.gz HZQXPSYSJXVBLL-MLGOLLRUSA-N 0 3 345.414 4.493 20 10 EICDHN COc1cccc([C@H](C)NCc2ccccc2OC(F)(F)F)c1O ZINC000846135417 1048829113 /nfs/dbraw/zinc/82/91/13/1048829113.db2.gz DBMNQTYLPIROQA-NSHDSACASA-N 0 3 341.329 4.150 20 10 EICDHN COc1cccc([C@H](C)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1O ZINC000846142522 1048831729 /nfs/dbraw/zinc/83/17/29/1048831729.db2.gz VBSIUHDAQCWNBE-IRWQIABSSA-N 0 3 345.414 4.111 20 10 EICDHN Cc1ccc([C@H](C)N[C@H](Cc2ccccc2)c2nccn2C)c(O)c1C ZINC000846208149 1048832482 /nfs/dbraw/zinc/83/24/82/1048832482.db2.gz WBPFJRGVVGQTCT-FXAWDEMLSA-N 0 3 349.478 4.377 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)N[C@@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846181925 1048835505 /nfs/dbraw/zinc/83/55/05/1048835505.db2.gz FXFDULFRWRPFIT-XWCIJXRUSA-N 0 3 337.822 4.266 20 10 EICDHN C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000846185488 1048836434 /nfs/dbraw/zinc/83/64/34/1048836434.db2.gz AGVDQIDHAMLXIE-LHSJRXKWSA-N 0 3 329.484 4.127 20 10 EICDHN C[C@@H]([NH2+][C@@H]1CCc2ccc(Br)cc2C1)c1ccccc1[O-] ZINC001170855437 1048902637 /nfs/dbraw/zinc/90/26/37/1048902637.db2.gz ZBICCYDIBRYALX-MLGOLLRUSA-N 0 3 346.268 4.363 20 10 EICDHN CC[C@H]([NH2+]C[C@]1(C)CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966638 1049072296 /nfs/dbraw/zinc/07/22/96/1049072296.db2.gz SDTFNNUNRPGVCS-XJKSGUPXSA-N 0 3 331.287 4.129 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2c1c(F)ccc2[O-] ZINC000817977459 1049077690 /nfs/dbraw/zinc/07/76/90/1049077690.db2.gz KRLDAJKMKOYBGW-PXAZEXFGSA-N 0 3 326.415 4.228 20 10 EICDHN COc1ccc(C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)c([O-])c1 ZINC000811499559 1049111689 /nfs/dbraw/zinc/11/16/89/1049111689.db2.gz PQMVIZAQWPKEQU-LCYFTJDESA-N 0 3 349.377 4.195 20 10 EICDHN C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCC1(F)F ZINC000811511510 1049122687 /nfs/dbraw/zinc/12/26/87/1049122687.db2.gz KTCQBWICYKPUBA-HNNXBMFYSA-N 0 3 347.405 4.448 20 10 EICDHN C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCC1(F)F ZINC000811511510 1049122694 /nfs/dbraw/zinc/12/26/94/1049122694.db2.gz KTCQBWICYKPUBA-HNNXBMFYSA-N 0 3 347.405 4.448 20 10 EICDHN CN(Cc1cc2cccnc2o1)Cc1ccc(N2CCCCC2)cc1 ZINC000823372161 1049841539 /nfs/dbraw/zinc/84/15/39/1049841539.db2.gz ZEHXOPWQPOYDIS-UHFFFAOYSA-N 0 3 335.451 4.450 20 10 EICDHN Cc1cc(N(C)C)ccc1CNCc1cc2cc(Cl)cnc2o1 ZINC000823851598 1049881470 /nfs/dbraw/zinc/88/14/70/1049881470.db2.gz QRIKQEMPJGEHSP-UHFFFAOYSA-N 0 3 329.831 4.145 20 10 EICDHN CC[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000180716050 1049932199 /nfs/dbraw/zinc/93/21/99/1049932199.db2.gz FNWYHEWQUQQOLR-RBUKOAKNSA-N 0 3 328.431 4.456 20 10 EICDHN C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1cccc(O)c1[O-] ZINC001172578762 1049951650 /nfs/dbraw/zinc/95/16/50/1049951650.db2.gz RKDONNYARWXRNC-JTQLQIEISA-N 0 3 341.785 4.140 20 10 EICDHN C[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000181325860 1050098492 /nfs/dbraw/zinc/09/84/92/1050098492.db2.gz VRMNMOLDAKYVJV-IFXJQAMLSA-N 0 3 328.431 4.456 20 10 EICDHN Cl/C=C/CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC001179747322 1050770572 /nfs/dbraw/zinc/77/05/72/1050770572.db2.gz KFPAZGVPDOLHHL-QPJJXVBHSA-N 0 3 343.696 4.282 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1cc(F)ccc1N(C)C ZINC001179829330 1050801936 /nfs/dbraw/zinc/80/19/36/1050801936.db2.gz BVWUESFUCFSUBR-AWEZNQCLSA-N 0 3 328.431 4.068 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001180348890 1050961676 /nfs/dbraw/zinc/96/16/76/1050961676.db2.gz FJGHHOBGFROLPT-YJBOKZPZSA-N 0 3 344.886 4.046 20 10 EICDHN CCOc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1OCC ZINC000775363528 1051129844 /nfs/dbraw/zinc/12/98/44/1051129844.db2.gz JEOVVQSDFYBYIZ-MRXNPFEDSA-N 0 3 342.483 4.401 20 10 EICDHN C[C@@H]([NH2+]CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183504348 1051137619 /nfs/dbraw/zinc/13/76/19/1051137619.db2.gz HPLHTCLQQNTFER-CVEARBPZSA-N 0 3 348.487 4.080 20 10 EICDHN CCCC[N@H+](Cc1ccc(N(C)C(C)C)nc1)Cc1ccccc1[O-] ZINC001181185410 1051172991 /nfs/dbraw/zinc/17/29/91/1051172991.db2.gz RECPIDXRCMBLOS-UHFFFAOYSA-N 0 3 341.499 4.434 20 10 EICDHN CCCC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)Cc1ccccc1[O-] ZINC001181185410 1051173000 /nfs/dbraw/zinc/17/30/00/1051173000.db2.gz RECPIDXRCMBLOS-UHFFFAOYSA-N 0 3 341.499 4.434 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CCCOc2cccc(C)c2C)c1[O-] ZINC001181390789 1051224739 /nfs/dbraw/zinc/22/47/39/1051224739.db2.gz KRCUGLLCEONKEC-UHFFFAOYSA-N 0 3 349.858 4.230 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC000775416794 1051293184 /nfs/dbraw/zinc/29/31/84/1051293184.db2.gz XWZXJECCZYKMIC-NVXWUHKLSA-N 0 3 340.250 4.473 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)c1[O-] ZINC001182043160 1051380100 /nfs/dbraw/zinc/38/01/00/1051380100.db2.gz GUGMOJKTSMRTQM-KRWDZBQOSA-N 0 3 331.843 4.338 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(OC(F)F)c(OC)c1)c1ccccc1[O-] ZINC000775485679 1051557773 /nfs/dbraw/zinc/55/77/73/1051557773.db2.gz ZBUYTLBIZQYBOU-AWEZNQCLSA-N 0 3 337.366 4.243 20 10 EICDHN CCCCn1cc(CN[C@H](CC)c2ccc(N(C)C)cc2)c(C)n1 ZINC000774472254 1051603534 /nfs/dbraw/zinc/60/35/34/1051603534.db2.gz NDQUJPTYGSLZMD-HXUWFJFHSA-N 0 3 328.504 4.299 20 10 EICDHN CC[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000775524530 1051709370 /nfs/dbraw/zinc/70/93/70/1051709370.db2.gz BJZMKVSPHWTXMN-FRQCXROJSA-N 0 3 335.394 4.223 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@H]1CCSC1 ZINC001183337328 1051830769 /nfs/dbraw/zinc/83/07/69/1051830769.db2.gz VLEKYCJMFLBHBN-QGZVFWFLSA-N 0 3 343.492 4.204 20 10 EICDHN CC[C@@H](NCc1nc2cccc(Cl)c2n1C)c1ccccc1O ZINC000775557696 1051839090 /nfs/dbraw/zinc/83/90/90/1051839090.db2.gz HIAQSIIAGFEJBG-CQSZACIVSA-N 0 3 329.831 4.173 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2Cc2ccccc2)c1[O-] ZINC001184338514 1051995834 /nfs/dbraw/zinc/99/58/34/1051995834.db2.gz MRZICUCFZZERPD-CABCVRRESA-N 0 3 331.843 4.023 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)c1[O-] ZINC001184389206 1052001886 /nfs/dbraw/zinc/00/18/86/1052001886.db2.gz WJEOLBXNYJPHHB-CZUORRHYSA-N 0 3 338.289 4.379 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]CCCCOCCc2ccccc2)c([O-])c1 ZINC000185072935 1052392081 /nfs/dbraw/zinc/39/20/81/1052392081.db2.gz RJDVMTRGNVYQLW-GOSISDBHSA-N 0 3 327.468 4.391 20 10 EICDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000185157354 1052494622 /nfs/dbraw/zinc/49/46/22/1052494622.db2.gz HFBAULBZGABDHW-KBPBESRZSA-N 0 3 342.414 4.070 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)c([O-])c1 ZINC000185169935 1052508316 /nfs/dbraw/zinc/50/83/16/1052508316.db2.gz KDZDJLYFJLJRMT-OAHLLOKOSA-N 0 3 326.465 4.156 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c([O-])c1 ZINC000185245770 1052549402 /nfs/dbraw/zinc/54/94/02/1052549402.db2.gz GCEKYLBHMQMYCH-IRXDYDNUSA-N 0 3 344.524 4.325 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(-n2cccn2)c1 ZINC000185617195 1052661828 /nfs/dbraw/zinc/66/18/28/1052661828.db2.gz MYYYZXWOKOPIMI-KGLIPLIRSA-N 0 3 325.387 4.129 20 10 EICDHN CC[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1[O-] ZINC000186106130 1052880893 /nfs/dbraw/zinc/88/08/93/1052880893.db2.gz OFPWXFGZDYSOPB-OAQYLSRUSA-N 0 3 338.495 4.140 20 10 EICDHN CN(C)c1ccc(CN[C@@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000764635676 1053242043 /nfs/dbraw/zinc/24/20/43/1053242043.db2.gz LTECYMLOWSNTER-GOSISDBHSA-N 0 3 330.859 4.410 20 10 EICDHN COc1cccc(OC)c1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000850505417 1053266625 /nfs/dbraw/zinc/26/66/25/1053266625.db2.gz RKMVFDBFMQCBHP-CQSZACIVSA-N 0 3 341.451 4.139 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1[O-] ZINC000850557252 1053311703 /nfs/dbraw/zinc/31/17/03/1053311703.db2.gz NOKMBBGUHOINBV-DOTOQJQBSA-N 0 3 340.250 4.473 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1[O-] ZINC000850557259 1053313306 /nfs/dbraw/zinc/31/33/06/1053313306.db2.gz NOKMBBGUHOINBV-WBVHZDCISA-N 0 3 340.250 4.473 20 10 EICDHN N[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@H]1F ZINC000850722836 1053343895 /nfs/dbraw/zinc/34/38/95/1053343895.db2.gz SANRZPHFXYQAID-IAGOWNOFSA-N 0 3 341.390 4.005 20 10 EICDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cnn(-c2ccccc2)c1 ZINC000764900438 1053365134 /nfs/dbraw/zinc/36/51/34/1053365134.db2.gz AXABDUFXRSSUDE-SFHVURJKSA-N 0 3 346.478 4.323 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccc(C)cc1[O-] ZINC000794795016 1053378772 /nfs/dbraw/zinc/37/87/72/1053378772.db2.gz OAWGBVCHZKOGAS-MOPGFXCFSA-N 0 3 330.447 4.183 20 10 EICDHN CC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000794792613 1053386249 /nfs/dbraw/zinc/38/62/49/1053386249.db2.gz GKHSTOMKISLCNQ-OAQYLSRUSA-N 0 3 338.495 4.406 20 10 EICDHN CC[C@H]([NH2+]CCCOCc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794803563 1053394582 /nfs/dbraw/zinc/39/45/82/1053394582.db2.gz ALJIFFYBZYPPII-FQEVSTJZSA-N 0 3 343.467 4.357 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1ccc(C)cc1[O-] ZINC000794804059 1053396656 /nfs/dbraw/zinc/39/66/56/1053396656.db2.gz LVKZEKDURGJFJQ-QAPCUYQASA-N 0 3 344.524 4.250 20 10 EICDHN CC[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000794814429 1053422054 /nfs/dbraw/zinc/42/20/54/1053422054.db2.gz LEPBQVRGDIIJBW-JLJPHGGASA-N 0 3 345.405 4.225 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794811935 1053427516 /nfs/dbraw/zinc/42/75/16/1053427516.db2.gz ALKXUCJUYCKQTC-NBHGPNQESA-N 0 3 326.484 4.433 20 10 EICDHN CC[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(C)cc1[O-] ZINC000794817711 1053431614 /nfs/dbraw/zinc/43/16/14/1053431614.db2.gz VDCSQXMZDVIFKD-MJGOQNOKSA-N 0 3 333.859 4.302 20 10 EICDHN COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000794822823 1053438063 /nfs/dbraw/zinc/43/80/63/1053438063.db2.gz CNRRDABQXYXPKL-PKOBYXMFSA-N 0 3 327.468 4.389 20 10 EICDHN C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000794827577 1053439626 /nfs/dbraw/zinc/43/96/26/1053439626.db2.gz KXMJLTBMFQSIDQ-RDJZCZTQSA-N 0 3 344.886 4.218 20 10 EICDHN C[C@@H](N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000765391429 1053527575 /nfs/dbraw/zinc/52/75/75/1053527575.db2.gz FLVCXQUXGPBNDM-AUUYWEPGSA-N 0 3 328.431 4.456 20 10 EICDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cc2c(ccnc2Cl)o1 ZINC000866218260 1053654308 /nfs/dbraw/zinc/65/43/08/1053654308.db2.gz MULLIELUZCQCIR-LBPRGKRZSA-N 0 3 329.831 4.398 20 10 EICDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cc2c(ccnc2Cl)o1 ZINC000866218257 1053654608 /nfs/dbraw/zinc/65/46/08/1053654608.db2.gz MULLIELUZCQCIR-GFCCVEGCSA-N 0 3 329.831 4.398 20 10 EICDHN CC[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000866408753 1053718387 /nfs/dbraw/zinc/71/83/87/1053718387.db2.gz DEZKNBKDDUKTJP-DLBZAZTESA-N 0 3 337.822 4.349 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)cc1[O-] ZINC000866485453 1053749081 /nfs/dbraw/zinc/74/90/81/1053749081.db2.gz LKXWHBYNIQWECP-SWLSCSKDSA-N 0 3 326.396 4.349 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000866485076 1053750392 /nfs/dbraw/zinc/75/03/92/1053750392.db2.gz LIMAOUDZMAHATL-KBPBESRZSA-N 0 3 339.439 4.401 20 10 EICDHN COc1cc([C@H](C)NCc2ccc3c(c2)CCO3)ccc1SC ZINC000765607896 1053803106 /nfs/dbraw/zinc/80/31/06/1053803106.db2.gz FIXXQXODYSAUMY-ZDUSSCGKSA-N 0 3 329.465 4.203 20 10 EICDHN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000866612316 1053803926 /nfs/dbraw/zinc/80/39/26/1053803926.db2.gz GSCHFNFQVMYGHQ-SJORKVTESA-N 0 3 326.488 4.212 20 10 EICDHN Oc1ccc2ccccc2c1CN1CCO[C@H](c2ccsc2)C1 ZINC000122184029 1053907953 /nfs/dbraw/zinc/90/79/53/1053907953.db2.gz HKINGIKARFYGQS-IBGZPJMESA-N 0 3 325.433 4.180 20 10 EICDHN Cc1ccc([O-])c(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000113327541 1053924746 /nfs/dbraw/zinc/92/47/46/1053924746.db2.gz HSJBVANLSFRLCX-UHFFFAOYSA-N 0 3 345.870 4.192 20 10 EICDHN CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000122437091 1053963237 /nfs/dbraw/zinc/96/32/37/1053963237.db2.gz PEIQRZACXAQLNZ-KRWDZBQOSA-N 0 3 346.446 4.150 20 10 EICDHN Cc1c([C@@H](C)NCc2ccc3c(c2)CCCN3C)cccc1[N+](=O)[O-] ZINC000122933576 1054060696 /nfs/dbraw/zinc/06/06/96/1054060696.db2.gz QAIWTYJZAXGHSP-OAHLLOKOSA-N 0 3 339.439 4.136 20 10 EICDHN CC(C)OC(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775830248 1054102368 /nfs/dbraw/zinc/10/23/68/1054102368.db2.gz FZMYAMVSDRMVBY-MRXNPFEDSA-N 0 3 340.467 4.169 20 10 EICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000857060597 1054169930 /nfs/dbraw/zinc/16/99/30/1054169930.db2.gz VBJLMNONMPSGGV-INIZCTEOSA-N 0 3 333.378 4.106 20 10 EICDHN COc1cc(CNCc2ccc(N(C)C)cc2C)ccc1OC(C)C ZINC000115629382 1054365952 /nfs/dbraw/zinc/36/59/52/1054365952.db2.gz RTCQSAMVSLOLFP-UHFFFAOYSA-N 0 3 342.483 4.147 20 10 EICDHN CCCOc1ccc(CN[C@@H]2CCCc3nc(C)ncc32)cc1C ZINC000873051620 1054481284 /nfs/dbraw/zinc/48/12/84/1054481284.db2.gz FHQMTAYGYPFXOD-GOSISDBHSA-N 0 3 325.456 4.049 20 10 EICDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H]1CCCc2scnc21 ZINC000858425005 1054486896 /nfs/dbraw/zinc/48/68/96/1054486896.db2.gz AWAVCKLBQXIHJW-RHSMWYFYSA-N 0 3 329.513 4.116 20 10 EICDHN C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490688 1054499001 /nfs/dbraw/zinc/49/90/01/1054499001.db2.gz LVGFHFKAJHLFLV-RYUDHWBXSA-N 0 3 331.287 4.082 20 10 EICDHN C[C@@H](NCc1cc(N)cc(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000873287659 1054521800 /nfs/dbraw/zinc/52/18/00/1054521800.db2.gz HLYJZQBSHDZIQJ-CQSZACIVSA-N 0 3 345.437 4.388 20 10 EICDHN CCOC(C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)OCC ZINC000125279271 1054757276 /nfs/dbraw/zinc/75/72/76/1054757276.db2.gz XGMRXSSJQICKSD-QGZVFWFLSA-N 0 3 343.467 4.355 20 10 EICDHN CCOC(C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)OCC ZINC000125279271 1054757293 /nfs/dbraw/zinc/75/72/93/1054757293.db2.gz XGMRXSSJQICKSD-QGZVFWFLSA-N 0 3 343.467 4.355 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]C2(c3ccccc3)CC2)c1[O-] ZINC000776167989 1054799896 /nfs/dbraw/zinc/79/98/96/1054799896.db2.gz ICIDPTGTQLQASS-UHFFFAOYSA-N 0 3 332.241 4.242 20 10 EICDHN CCN(C)c1ccc([C@H](C)NC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000777233765 1055026895 /nfs/dbraw/zinc/02/68/95/1055026895.db2.gz CTYKZYNMBOGJTF-HNNXBMFYSA-N 0 3 338.451 4.211 20 10 EICDHN Cc1ccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877336577 1055043183 /nfs/dbraw/zinc/04/31/83/1055043183.db2.gz KNAGVWVSEADRNA-ICSRJNTNSA-N 0 3 329.415 4.192 20 10 EICDHN Cc1ccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000877336577 1055043195 /nfs/dbraw/zinc/04/31/95/1055043195.db2.gz KNAGVWVSEADRNA-ICSRJNTNSA-N 0 3 329.415 4.192 20 10 EICDHN C[C@@H]([NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000877757873 1055113611 /nfs/dbraw/zinc/11/36/11/1055113611.db2.gz XLQYOWFZQOVCRA-PLMTUMEDSA-N 0 3 336.479 4.411 20 10 EICDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cc(C(F)(F)F)c1 ZINC000877758347 1055118043 /nfs/dbraw/zinc/11/80/43/1055118043.db2.gz USRXZFZGTZLOTN-NSHDSACASA-N 0 3 325.330 4.270 20 10 EICDHN COc1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])ccn1 ZINC000776266610 1055119575 /nfs/dbraw/zinc/11/95/75/1055119575.db2.gz WOWFVKUUFHSYKR-FQEVSTJZSA-N 0 3 348.446 4.260 20 10 EICDHN CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921686754 1055796331 /nfs/dbraw/zinc/79/63/31/1055796331.db2.gz XGGBGCXQPOAQCX-SFHVURJKSA-N 0 3 339.483 4.130 20 10 EICDHN CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000743375468 1058979482 /nfs/dbraw/zinc/97/94/82/1058979482.db2.gz HRMAJRWRBNTORY-HXUWFJFHSA-N 0 3 346.474 4.252 20 10 EICDHN CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000743375468 1058979507 /nfs/dbraw/zinc/97/95/07/1058979507.db2.gz HRMAJRWRBNTORY-HXUWFJFHSA-N 0 3 346.474 4.252 20 10 EICDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000743870497 1059190606 /nfs/dbraw/zinc/19/06/06/1059190606.db2.gz ULBUCZVBMCVUFI-HNNXBMFYSA-N 0 3 344.430 4.079 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCN1Cc1ccccc1 ZINC000379649815 1059748852 /nfs/dbraw/zinc/74/88/52/1059748852.db2.gz PUGPFGWSOHKWKV-WBVHZDCISA-N 0 3 344.886 4.188 20 10 EICDHN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 ZINC000746048885 1059986851 /nfs/dbraw/zinc/98/68/51/1059986851.db2.gz LHMLHUJNZIYTOF-BRWVUGGUSA-N 0 3 342.458 4.290 20 10 EICDHN COC[C@@H](NCc1ccc(N2CCCCC2)c(C)c1)c1ccccc1 ZINC001168811575 1060410964 /nfs/dbraw/zinc/41/09/64/1060410964.db2.gz AIYYCNQTUHOSQV-OAQYLSRUSA-N 0 3 338.495 4.463 20 10 EICDHN Cc1ccc([C@@H](C)NCc2nc3cccc(Cl)c3n2C)c(O)c1 ZINC000274737762 1019091047 /nfs/dbraw/zinc/09/10/47/1019091047.db2.gz DRBKUODLOVLHIX-GFCCVEGCSA-N 0 3 329.831 4.092 20 10 EICDHN CC[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccccc1[O-] ZINC000274898639 1019844279 /nfs/dbraw/zinc/84/42/79/1019844279.db2.gz KTNGXHCSVLPUAJ-MRXNPFEDSA-N 0 3 339.464 4.194 20 10 EICDHN Cc1ncc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])s1 ZINC000275158259 1020222944 /nfs/dbraw/zinc/22/29/44/1020222944.db2.gz AAKHUALJGGCAOA-SECBINFHSA-N 0 3 341.274 4.079 20 10 EICDHN c1ccc2c(c1)CCSC[C@H]2NCc1ccc(N2CCCC2)cc1 ZINC000177975354 1021836148 /nfs/dbraw/zinc/83/61/48/1021836148.db2.gz JWLBPHRKSUAMQS-OAQYLSRUSA-N 0 3 338.520 4.407 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCOc2c(OC)cc(C)cc21)c1ccccc1[O-] ZINC000376325911 1022168392 /nfs/dbraw/zinc/16/83/92/1022168392.db2.gz TYHPKXDQKCGMGX-IAGOWNOFSA-N 0 3 327.424 4.274 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc2ccccc2n1 ZINC000178191944 1022188383 /nfs/dbraw/zinc/18/83/83/1022188383.db2.gz ULVRPEXJYWORKY-INIZCTEOSA-N 0 3 331.463 4.468 20 10 EICDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000376341222 1022230327 /nfs/dbraw/zinc/23/03/27/1022230327.db2.gz YVDVXEPAZTXUDM-IBGZPJMESA-N 0 3 338.451 4.194 20 10 EICDHN Cc1ccc([C@H](C)N[C@@H](c2cnn(C)c2)c2ccccc2)c(O)c1C ZINC000363855262 1022857298 /nfs/dbraw/zinc/85/72/98/1022857298.db2.gz NIAFUAAPEIKGLW-OXJNMPFZSA-N 0 3 335.451 4.183 20 10 EICDHN COc1cc(C)cc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000363855216 1022857616 /nfs/dbraw/zinc/85/76/16/1022857616.db2.gz MWGYJAUREMSFCQ-LRDDRELGSA-N 0 3 331.387 4.023 20 10 EICDHN COc1ccc2c(c1)[C@H](NCc1ccc(N(C)C)cc1)CCCS2 ZINC000187705762 1023903094 /nfs/dbraw/zinc/90/30/94/1023903094.db2.gz JPDLYULZDAZDOE-LJQANCHMSA-N 0 3 342.508 4.478 20 10 EICDHN CCCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2[O-])cc1OC ZINC000236710144 1024055326 /nfs/dbraw/zinc/05/53/26/1024055326.db2.gz GWTNYGULEDSUKA-HNNXBMFYSA-N 0 3 329.440 4.431 20 10 EICDHN CCc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000165197716 1025047078 /nfs/dbraw/zinc/04/70/78/1025047078.db2.gz XVXBMLUVRRXWOU-CQSZACIVSA-N 0 3 348.487 4.137 20 10 EICDHN Cc1nc([C@@H](C)NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n[nH]1 ZINC000894771579 1026413770 /nfs/dbraw/zinc/41/37/70/1026413770.db2.gz NYTULBPTYXDFDK-GFCCVEGCSA-N 0 3 344.503 4.265 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC000156966875 1028883241 /nfs/dbraw/zinc/88/32/41/1028883241.db2.gz DOJVKZDSPJGGHU-WMLDXEAASA-N 0 3 337.423 4.287 20 10 EICDHN Cc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])nc1C ZINC000840783671 1029281586 /nfs/dbraw/zinc/28/15/86/1029281586.db2.gz MDMYDOCCNBLJBV-CYBMUJFWSA-N 0 3 349.272 4.326 20 10 EICDHN Cc1ccc(CN[C@H](C)c2cc(Br)cc(C)c2O)nc1C ZINC000840783671 1029281607 /nfs/dbraw/zinc/28/16/07/1029281607.db2.gz MDMYDOCCNBLJBV-CYBMUJFWSA-N 0 3 349.272 4.326 20 10 EICDHN COc1ccc(CNCc2c(C)c3ccccc3n2C)cc1Cl ZINC000475190219 1029353866 /nfs/dbraw/zinc/35/38/66/1029353866.db2.gz KDWPBKHWDCUZFW-UHFFFAOYSA-N 0 3 328.843 4.439 20 10 EICDHN C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccccc1[O-] ZINC000183590065 1030024464 /nfs/dbraw/zinc/02/44/64/1030024464.db2.gz XTDYOFPTVUKSPL-CYBMUJFWSA-N 0 3 326.371 4.080 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCNC12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000530213516 1030223100 /nfs/dbraw/zinc/22/31/00/1030223100.db2.gz ADDYXVCPOLDJOZ-OLZOCXBDSA-N 0 3 329.271 4.024 20 10 EICDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1-n1cccn1 ZINC000185742717 1030223414 /nfs/dbraw/zinc/22/34/14/1030223414.db2.gz JFXRJWFKLFBXJZ-KBPBESRZSA-N 0 3 325.387 4.129 20 10 EICDHN CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000310051350 1030996592 /nfs/dbraw/zinc/99/65/92/1030996592.db2.gz IZXHHFHKVOZFAN-CABCVRRESA-N 0 3 336.476 4.126 20 10 EICDHN CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000310051351 1030997798 /nfs/dbraw/zinc/99/77/98/1030997798.db2.gz IZXHHFHKVOZFAN-GJZGRUSLSA-N 0 3 336.476 4.126 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000179584453 1031222087 /nfs/dbraw/zinc/22/20/87/1031222087.db2.gz PPUAZBVUGHLAMG-LJQANCHMSA-N 0 3 339.460 4.190 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000179584453 1031222108 /nfs/dbraw/zinc/22/21/08/1031222108.db2.gz PPUAZBVUGHLAMG-LJQANCHMSA-N 0 3 339.460 4.190 20 10 EICDHN COc1cc(C)cc(CN[C@@H](C)c2ccccc2OC(C)C)c1O ZINC000894186158 1034652686 /nfs/dbraw/zinc/65/26/86/1034652686.db2.gz SBMINBHCLKGISJ-HNNXBMFYSA-N 0 3 329.440 4.347 20 10 EICDHN CC[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccc(C)cc1[O-] ZINC000280182443 1035197904 /nfs/dbraw/zinc/19/79/04/1035197904.db2.gz RSAAXFFEYRIBBL-FQEVSTJZSA-N 0 3 335.451 4.186 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2SCCc3ccccc32)c1[O-] ZINC000761208200 1036057466 /nfs/dbraw/zinc/05/74/66/1036057466.db2.gz VWHMGWMHGOUVQY-KRWDZBQOSA-N 0 3 349.883 4.174 20 10 EICDHN CCc1nc2c(s1)[C@@H](N(C)Cc1cc(C)cc(OC)c1O)CCC2 ZINC000164510987 1036163402 /nfs/dbraw/zinc/16/34/02/1036163402.db2.gz JRMDWFVBCYSPGA-HNNXBMFYSA-N 0 3 346.496 4.238 20 10 EICDHN [O-]c1ccccc1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000164476321 1036164532 /nfs/dbraw/zinc/16/45/32/1036164532.db2.gz KHHFGUAXDBKOHR-UHFFFAOYSA-N 0 3 326.621 4.098 20 10 EICDHN C[C@@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)c1ccccc1[O-] ZINC000272810433 1037302539 /nfs/dbraw/zinc/30/25/39/1037302539.db2.gz CZPNEYZOZONNKL-ABAIWWIYSA-N 0 3 348.240 4.329 20 10 EICDHN CCOCCOCc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000273377070 1037442248 /nfs/dbraw/zinc/44/22/48/1037442248.db2.gz HNAHVMOTQUMUEW-QGZVFWFLSA-N 0 3 343.467 4.105 20 10 EICDHN COc1ccc(N2CCC(N[C@@H](C)c3cccnc3Cl)CC2)cc1 ZINC000157389772 1037497552 /nfs/dbraw/zinc/49/75/52/1037497552.db2.gz ZQUOCXZSZVHSPR-AWEZNQCLSA-N 0 3 345.874 4.063 20 10 EICDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000366675740 1041841908 /nfs/dbraw/zinc/84/19/08/1041841908.db2.gz JBZXPVWUVLAJPZ-IBGZPJMESA-N 0 3 344.499 4.004 20 10 EICDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cccc(F)c1 ZINC000163625335 1043252542 /nfs/dbraw/zinc/25/25/42/1043252542.db2.gz AHKPQVBKVZJXMD-HNNXBMFYSA-N 0 3 330.472 4.230 20 10 EICDHN CCN(CC)c1ccc(CNCc2ccc(OC)c(C)c2)cc1F ZINC000731360971 1043741531 /nfs/dbraw/zinc/74/15/31/1043741531.db2.gz RWPXYGHYQCOVRH-UHFFFAOYSA-N 0 3 330.447 4.279 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C1CCCC1 ZINC000732204250 1043888060 /nfs/dbraw/zinc/88/80/60/1043888060.db2.gz GTXIGELLCIUCSS-HXUWFJFHSA-N 0 3 347.405 4.149 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccc(F)cc1F)C1CCCC1 ZINC000732204250 1043888062 /nfs/dbraw/zinc/88/80/62/1043888062.db2.gz GTXIGELLCIUCSS-HXUWFJFHSA-N 0 3 347.405 4.149 20 10 EICDHN Cc1ccccc1[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732821879 1044013594 /nfs/dbraw/zinc/01/35/94/1044013594.db2.gz BOEUICGYJQFQHQ-JOCHJYFZSA-N 0 3 333.431 4.191 20 10 EICDHN CCCCC[C@H](C)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613468 1044268747 /nfs/dbraw/zinc/26/87/47/1044268747.db2.gz XPIPFJADLKIJEJ-KRWDZBQOSA-N 0 3 346.515 4.222 20 10 EICDHN CCCCC[C@H](C)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613468 1044268753 /nfs/dbraw/zinc/26/87/53/1044268753.db2.gz XPIPFJADLKIJEJ-KRWDZBQOSA-N 0 3 346.515 4.222 20 10 EICDHN C[C@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccccc1 ZINC000734004119 1044452319 /nfs/dbraw/zinc/45/23/19/1044452319.db2.gz OSFKBAOPRVVJOS-QFIPXVFZSA-N 0 3 333.431 4.057 20 10 EICDHN C[C@H](NCc1ccnc(OC2CCCC2)c1)c1ccc(N(C)C)cc1 ZINC000153345704 1044745176 /nfs/dbraw/zinc/74/51/76/1044745176.db2.gz VFKQFUYYNGQHEV-INIZCTEOSA-N 0 3 339.483 4.320 20 10 EICDHN CCCN(CCC)c1ccc(C[NH2+]Cc2ccc([O-])c(F)c2)cc1 ZINC000738439280 1045060196 /nfs/dbraw/zinc/06/01/96/1045060196.db2.gz DMOYNCQZPCXVLL-UHFFFAOYSA-N 0 3 330.447 4.448 20 10 EICDHN C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(N2CCCCC2)cc1 ZINC000282412600 1045090118 /nfs/dbraw/zinc/09/01/18/1045090118.db2.gz LFEQJKYGJSHJSM-UZLBHIALSA-N 0 3 338.499 4.139 20 10 EICDHN COc1cc(CN(C)Cc2cccc(F)c2)c(O)c(C(C)(C)C)c1 ZINC000915808051 1045469061 /nfs/dbraw/zinc/46/90/61/1045469061.db2.gz QYTZZMZHFDFBMP-UHFFFAOYSA-N 0 3 331.431 4.469 20 10 EICDHN Cc1c(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cccc1[N+](=O)[O-] ZINC000790696115 1045560980 /nfs/dbraw/zinc/56/09/80/1045560980.db2.gz RLPXITACCRPTNA-YGRLFVJLSA-N 0 3 330.359 4.086 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1coc2ccccc12)C[C@@H]1CCCO1 ZINC000768163292 1045732969 /nfs/dbraw/zinc/73/29/69/1045732969.db2.gz XQNAFARHMRJFRP-SFHVURJKSA-N 0 3 337.419 4.320 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1coc2ccccc12)C[C@@H]1CCCO1 ZINC000768163292 1045732982 /nfs/dbraw/zinc/73/29/82/1045732982.db2.gz XQNAFARHMRJFRP-SFHVURJKSA-N 0 3 337.419 4.320 20 10 EICDHN CC(C)N(Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1F ZINC000768335101 1045790644 /nfs/dbraw/zinc/79/06/44/1045790644.db2.gz VIPIPPQCARGBGJ-UHFFFAOYSA-N 0 3 342.458 4.073 20 10 EICDHN CCOc1ccc(C[N@@H+](CC)[C@H](C)c2cccc(OC)c2)c([O-])c1 ZINC000768519693 1045814343 /nfs/dbraw/zinc/81/43/43/1045814343.db2.gz BNKIXQSCMSIJKS-OAHLLOKOSA-N 0 3 329.440 4.383 20 10 EICDHN CCOc1ccc(C[N@H+](CC)[C@H](C)c2cccc(OC)c2)c([O-])c1 ZINC000768519693 1045814341 /nfs/dbraw/zinc/81/43/41/1045814341.db2.gz BNKIXQSCMSIJKS-OAHLLOKOSA-N 0 3 329.440 4.383 20 10 EICDHN CCCN1CCC([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768921159 1045860532 /nfs/dbraw/zinc/86/05/32/1045860532.db2.gz XDUXMPCWZKLPLV-UHFFFAOYSA-N 0 3 338.495 4.365 20 10 EICDHN CCCN1CCC([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768921159 1045860541 /nfs/dbraw/zinc/86/05/41/1045860541.db2.gz XDUXMPCWZKLPLV-UHFFFAOYSA-N 0 3 338.495 4.365 20 10 EICDHN Cc1ccc(O)c(CN(C)Cc2csc(Br)c2)c1 ZINC000768937453 1045863301 /nfs/dbraw/zinc/86/33/01/1045863301.db2.gz SJCIUGZBIPTNPS-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000769201357 1045893193 /nfs/dbraw/zinc/89/31/93/1045893193.db2.gz SCBNTQSARLPQCB-YFHOEESVSA-N 0 3 326.396 4.226 20 10 EICDHN CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000769201357 1045893200 /nfs/dbraw/zinc/89/32/00/1045893200.db2.gz SCBNTQSARLPQCB-YFHOEESVSA-N 0 3 326.396 4.226 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@H](C)c2sc(CC)nc2C)c([O-])c1 ZINC000769470344 1045984878 /nfs/dbraw/zinc/98/48/78/1045984878.db2.gz LOAFLMSBPBNNRI-CYBMUJFWSA-N 0 3 334.485 4.311 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@H](C)c2sc(CC)nc2C)c([O-])c1 ZINC000769470344 1045984885 /nfs/dbraw/zinc/98/48/85/1045984885.db2.gz LOAFLMSBPBNNRI-CYBMUJFWSA-N 0 3 334.485 4.311 20 10 EICDHN CCOc1ccc(CN(C)[C@H](C)c2sc(CC)nc2C)c(O)c1 ZINC000769470344 1045984897 /nfs/dbraw/zinc/98/48/97/1045984897.db2.gz LOAFLMSBPBNNRI-CYBMUJFWSA-N 0 3 334.485 4.311 20 10 EICDHN CCOc1cccc(C[N@@H+](C)C[C@H](C)Cc2ccc(OC)cc2)c1[O-] ZINC000769519677 1046005996 /nfs/dbraw/zinc/00/59/96/1046005996.db2.gz WPZKEIRUOCWNDX-MRXNPFEDSA-N 0 3 343.467 4.110 20 10 EICDHN CCOc1cccc(C[N@H+](C)C[C@H](C)Cc2ccc(OC)cc2)c1[O-] ZINC000769519677 1046005980 /nfs/dbraw/zinc/00/59/80/1046005980.db2.gz WPZKEIRUOCWNDX-MRXNPFEDSA-N 0 3 343.467 4.110 20 10 EICDHN CCCN(Cc1ccnn1-c1ccc(F)cc1)Cc1ccccc1O ZINC000792799747 1046063845 /nfs/dbraw/zinc/06/38/45/1046063845.db2.gz PPMSAZZIHRGWID-UHFFFAOYSA-N 0 3 339.414 4.129 20 10 EICDHN COc1ccc(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c([O-])c1 ZINC000793387283 1046228881 /nfs/dbraw/zinc/22/88/81/1046228881.db2.gz BTGMPNOZWAINPB-UHFFFAOYSA-N 0 3 345.748 4.363 20 10 EICDHN CCCCCOc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793388117 1046230517 /nfs/dbraw/zinc/23/05/17/1046230517.db2.gz MIRWQZIZJKCJKT-UHFFFAOYSA-N 0 3 329.440 4.260 20 10 EICDHN Cc1ccc([C@H](C)NCc2ccc(N3CCSCC3)cc2)c(C)n1 ZINC000771382957 1046377753 /nfs/dbraw/zinc/37/77/53/1046377753.db2.gz IXNJOPHWLLQWNK-INIZCTEOSA-N 0 3 341.524 4.102 20 10 EICDHN COc1ccc(N2CCCN([C@H](C)c3ccccc3F)CC2)cc1 ZINC000917088511 1046675101 /nfs/dbraw/zinc/67/51/01/1046675101.db2.gz ZXLWYVDQXLLPNN-MRXNPFEDSA-N 0 3 328.431 4.108 20 10 EICDHN CC1(C)C[C@@H](NCc2ccc3c(c2)CCO3)c2cc([N+](=O)[O-])ccc21 ZINC000788575566 1047235382 /nfs/dbraw/zinc/23/53/82/1047235382.db2.gz BGSCOJLOKDENSG-GOSISDBHSA-N 0 3 338.407 4.042 20 10 EICDHN CCOc1ccc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c([O-])c1 ZINC000897998145 1047525789 /nfs/dbraw/zinc/52/57/89/1047525789.db2.gz PFZSHXBVOPVIID-LJQANCHMSA-N 0 3 328.456 4.371 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1[O-] ZINC000898322652 1047614079 /nfs/dbraw/zinc/61/40/79/1047614079.db2.gz OVDLGBBUCXWKJL-MRXNPFEDSA-N 0 3 347.256 4.099 20 10 EICDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000824522354 1047881514 /nfs/dbraw/zinc/88/15/14/1047881514.db2.gz VICHXAPVZOTLRY-UHFFFAOYSA-N 0 3 341.304 4.209 20 10 EICDHN C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccccc1[O-] ZINC000808384850 1047890515 /nfs/dbraw/zinc/89/05/15/1047890515.db2.gz GNCUGVBGYFGQPK-NSHDSACASA-N 0 3 338.220 4.015 20 10 EICDHN Cc1cc(C[NH2+]Cc2ccccc2[O-])cc(NC(=O)OC(C)(C)C)c1 ZINC000824999852 1048008220 /nfs/dbraw/zinc/00/82/20/1048008220.db2.gz SBVAYMIVYOEORK-UHFFFAOYSA-N 0 3 342.439 4.337 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1[O-] ZINC000808687566 1048038834 /nfs/dbraw/zinc/03/88/34/1048038834.db2.gz SRJVSQKSFKWBOW-LBPRGKRZSA-N 0 3 336.838 4.410 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1[O-] ZINC000808674524 1048045745 /nfs/dbraw/zinc/04/57/45/1048045745.db2.gz UMNRLRXQUPHBQC-WBMJQRKESA-N 0 3 338.904 4.369 20 10 EICDHN CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808678546 1048048841 /nfs/dbraw/zinc/04/88/41/1048048841.db2.gz SWIZBWMEHUMZKU-CQSZACIVSA-N 0 3 347.890 4.446 20 10 EICDHN CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808677004 1048049221 /nfs/dbraw/zinc/04/92/21/1048049221.db2.gz VWZLNMJAPOIZHB-GFCCVEGCSA-N 0 3 332.831 4.163 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000808706273 1048053357 /nfs/dbraw/zinc/05/33/57/1048053357.db2.gz GKLPHZBMRYCJJM-GRDNDAEWSA-N 0 3 325.880 4.336 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000808706644 1048053623 /nfs/dbraw/zinc/05/36/23/1048053623.db2.gz PYFPFUDNDDQSTI-QEORTHHSSA-N 0 3 341.904 4.059 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000808709180 1048054824 /nfs/dbraw/zinc/05/48/24/1048054824.db2.gz VNHJWTSJROCXHQ-SGTLLEGYSA-N 0 3 337.822 4.051 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1[O-] ZINC000808694872 1048078265 /nfs/dbraw/zinc/07/82/65/1048078265.db2.gz GVYRBDGNJAGMGH-RYUDHWBXSA-N 0 3 347.846 4.256 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000808696725 1048078813 /nfs/dbraw/zinc/07/88/13/1048078813.db2.gz SDWIBXNYQXXIDS-PZROIBLQSA-N 0 3 337.822 4.266 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCc3ccc(F)cc3)c2c1 ZINC000919948005 1048330868 /nfs/dbraw/zinc/33/08/68/1048330868.db2.gz FHOZQFYSHSUABK-UHFFFAOYSA-N 0 3 339.410 4.368 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCc3ccc(F)cc3)c2c1 ZINC000919948005 1048330885 /nfs/dbraw/zinc/33/08/85/1048330885.db2.gz FHOZQFYSHSUABK-UHFFFAOYSA-N 0 3 339.410 4.368 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2occc2c1)C[C@@H]1CCCO1 ZINC000809538868 1048399479 /nfs/dbraw/zinc/39/94/79/1048399479.db2.gz UNBJDHBEDIRYNU-IBGZPJMESA-N 0 3 337.419 4.320 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc2occc2c1)C[C@@H]1CCCO1 ZINC000809538868 1048399490 /nfs/dbraw/zinc/39/94/90/1048399490.db2.gz UNBJDHBEDIRYNU-IBGZPJMESA-N 0 3 337.419 4.320 20 10 EICDHN C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809704226 1048488041 /nfs/dbraw/zinc/48/80/41/1048488041.db2.gz WMSDRLNCROIGNQ-UWJYYQICSA-N 0 3 336.479 4.118 20 10 EICDHN C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809704226 1048488059 /nfs/dbraw/zinc/48/80/59/1048488059.db2.gz WMSDRLNCROIGNQ-UWJYYQICSA-N 0 3 336.479 4.118 20 10 EICDHN CN1CCC([N@H+](Cc2ccccc2)Cc2cc(Cl)ccc2[O-])CC1 ZINC000809767065 1048500258 /nfs/dbraw/zinc/50/02/58/1048500258.db2.gz WWXDIKBYGIWMCO-UHFFFAOYSA-N 0 3 344.886 4.142 20 10 EICDHN CN1CCC([N@@H+](Cc2ccccc2)Cc2cc(Cl)ccc2[O-])CC1 ZINC000809767065 1048500274 /nfs/dbraw/zinc/50/02/74/1048500274.db2.gz WWXDIKBYGIWMCO-UHFFFAOYSA-N 0 3 344.886 4.142 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOCC1CC1 ZINC000815578724 1048518404 /nfs/dbraw/zinc/51/84/04/1048518404.db2.gz UTWMTJYVVJZDJW-HXUWFJFHSA-N 0 3 325.452 4.082 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000809756343 1048521450 /nfs/dbraw/zinc/52/14/50/1048521450.db2.gz GLIPENSYBILZAR-SFHVURJKSA-N 0 3 343.471 4.248 20 10 EICDHN CCOc1ccc(C[N@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000809756343 1048521465 /nfs/dbraw/zinc/52/14/65/1048521465.db2.gz GLIPENSYBILZAR-SFHVURJKSA-N 0 3 343.471 4.248 20 10 EICDHN CC[C@H](CCO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815587792 1048524873 /nfs/dbraw/zinc/52/48/73/1048524873.db2.gz TXRKWCSKPPDCHK-XLIONFOSSA-N 0 3 327.468 4.064 20 10 EICDHN CC[C@@H](O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595263 1048529024 /nfs/dbraw/zinc/52/90/24/1048529024.db2.gz MEHNQWUPSHWQHX-UYAOXDASSA-N 0 3 327.468 4.207 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1(CCO)CCC1 ZINC000815597585 1048531803 /nfs/dbraw/zinc/53/18/03/1048531803.db2.gz ZSFHJEGZDVTVHW-HXUWFJFHSA-N 0 3 339.479 4.208 20 10 EICDHN CC(C)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815572234 1048534883 /nfs/dbraw/zinc/53/48/83/1048534883.db2.gz XVVJVFJRVUGURV-AZUAARDMSA-N 0 3 327.468 4.063 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000815618990 1048546487 /nfs/dbraw/zinc/54/64/87/1048546487.db2.gz ZJUWPZOBSITKQK-CEWLAPEOSA-N 0 3 339.479 4.207 20 10 EICDHN CSc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])N(C)C)cc1 ZINC000815660096 1048561066 /nfs/dbraw/zinc/56/10/66/1048561066.db2.gz RHCUQFMQUVJNKN-FZKQIMNGSA-N 0 3 348.487 4.207 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(Br)nc1 ZINC000810219653 1048687591 /nfs/dbraw/zinc/68/75/91/1048687591.db2.gz UTIGHUVSCWSRMD-ZDUSSCGKSA-N 0 3 348.288 4.069 20 10 EICDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000810262137 1048711136 /nfs/dbraw/zinc/71/11/36/1048711136.db2.gz MEFSXUJNDIHAOA-HOTGVXAUSA-N 0 3 338.451 4.321 20 10 EICDHN CN(Cc1cc2cnccc2o1)Cc1ccc(N2CCCCC2)cc1 ZINC000845902270 1048758850 /nfs/dbraw/zinc/75/88/50/1048758850.db2.gz CJUXBLDGHKRDPA-UHFFFAOYSA-N 0 3 335.451 4.450 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2cc(C(F)(F)F)ccc2F)c1 ZINC000845972346 1048772410 /nfs/dbraw/zinc/77/24/10/1048772410.db2.gz NFTSUWFQBVAOEW-SNVBAGLBSA-N 0 3 343.320 4.410 20 10 EICDHN Cc1cc(Br)c(CN[C@H](C)c2ccccc2O)s1 ZINC000845991488 1048776416 /nfs/dbraw/zinc/77/64/16/1048776416.db2.gz UVCAQMJOBLFXEG-SNVBAGLBSA-N 0 3 326.259 4.375 20 10 EICDHN Cc1cc(Br)c(C[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000845991488 1048776438 /nfs/dbraw/zinc/77/64/38/1048776438.db2.gz UVCAQMJOBLFXEG-SNVBAGLBSA-N 0 3 326.259 4.375 20 10 EICDHN Cc1cc(Br)cc(CN2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000846105634 1048822422 /nfs/dbraw/zinc/82/24/22/1048822422.db2.gz XHAKVFJUEXCVOP-CQSZACIVSA-N 0 3 346.215 4.084 20 10 EICDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846105634 1048822423 /nfs/dbraw/zinc/82/24/23/1048822423.db2.gz XHAKVFJUEXCVOP-CQSZACIVSA-N 0 3 346.215 4.084 20 10 EICDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846105634 1048822424 /nfs/dbraw/zinc/82/24/24/1048822424.db2.gz XHAKVFJUEXCVOP-CQSZACIVSA-N 0 3 346.215 4.084 20 10 EICDHN COc1cccc([C@@H](C)NCc2ccccc2OCC(C)C)c1O ZINC000846143175 1048831407 /nfs/dbraw/zinc/83/14/07/1048831407.db2.gz IGPFROVDQKLHJI-OAHLLOKOSA-N 0 3 329.440 4.286 20 10 EICDHN COc1cccc([C@H](C)NCc2ccccc2OCC(C)C)c1O ZINC000846143171 1048831647 /nfs/dbraw/zinc/83/16/47/1048831647.db2.gz IGPFROVDQKLHJI-HNNXBMFYSA-N 0 3 329.440 4.286 20 10 EICDHN C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000846185494 1048837234 /nfs/dbraw/zinc/83/72/34/1048837234.db2.gz AGVDQIDHAMLXIE-SZNDQCEHSA-N 0 3 329.484 4.127 20 10 EICDHN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773118847 1049589895 /nfs/dbraw/zinc/58/98/95/1049589895.db2.gz QMHNOJUQJRXRKQ-RHSMWYFYSA-N 0 3 344.421 4.031 20 10 EICDHN C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037000694 1049654109 /nfs/dbraw/zinc/65/41/09/1049654109.db2.gz BBONWJHEQTWWEB-STQMWFEESA-N 0 3 334.257 4.437 20 10 EICDHN CCOCc1cc(CN[C@@H](CC)c2ccccc2OC)ccc1OC ZINC000747854548 1049764657 /nfs/dbraw/zinc/76/46/57/1049764657.db2.gz NMRZCDGGDFYZNJ-IBGZPJMESA-N 0 3 343.467 4.481 20 10 EICDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H]1OCCc2sccc21 ZINC000813885816 1049831344 /nfs/dbraw/zinc/83/13/44/1049831344.db2.gz XVDJDEOVXVIRIV-CMJSEYCZSA-N 0 3 347.455 4.433 20 10 EICDHN Oc1ccccc1CN(Cc1cc(F)ncc1F)C1CCCCC1 ZINC000823375226 1049842327 /nfs/dbraw/zinc/84/23/27/1049842327.db2.gz DAIHKVOUFCLPTL-UHFFFAOYSA-N 0 3 332.394 4.400 20 10 EICDHN C[C@H](NCc1cc2cc(Cl)cnc2o1)c1ccc(N(C)C)cc1 ZINC000824195685 1049905378 /nfs/dbraw/zinc/90/53/78/1049905378.db2.gz JJPWFSZQSGVEFA-LBPRGKRZSA-N 0 3 329.831 4.398 20 10 EICDHN C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccccc1[O-] ZINC001173083031 1050296320 /nfs/dbraw/zinc/29/63/20/1050296320.db2.gz PQOSMIJWDJJFNK-GFCCVEGCSA-N 0 3 325.330 4.012 20 10 EICDHN C[C@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N1CCCCC1 ZINC001178464370 1050476852 /nfs/dbraw/zinc/47/68/52/1050476852.db2.gz XHVHTDDUVAOPCQ-GFCCVEGCSA-N 0 3 331.287 4.053 20 10 EICDHN C[C@H](CCNCc1cc(Cl)cc(Cl)c1[O-])[NH+]1CCCCC1 ZINC001178464370 1050476858 /nfs/dbraw/zinc/47/68/58/1050476858.db2.gz XHVHTDDUVAOPCQ-GFCCVEGCSA-N 0 3 331.287 4.053 20 10 EICDHN Cc1cc(CNCc2cccc3nccn32)c(C)n1-c1ccccc1 ZINC001203357247 1050532237 /nfs/dbraw/zinc/53/22/37/1050532237.db2.gz ILGYGOCKKPQRDZ-UHFFFAOYSA-N 0 3 330.435 4.032 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CC(F)(F)C2)c1[O-] ZINC000813872645 1050577679 /nfs/dbraw/zinc/57/76/79/1050577679.db2.gz ISIMZIVHLGODKS-SECBINFHSA-N 0 3 334.204 4.159 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2csc(Br)c2)c1 ZINC000182410874 1050648420 /nfs/dbraw/zinc/64/84/20/1050648420.db2.gz DYMSPVKHRWGZIR-SECBINFHSA-N 0 3 342.258 4.076 20 10 EICDHN Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000775206049 1050859933 /nfs/dbraw/zinc/85/99/33/1050859933.db2.gz UGGCKDUBZPQCIQ-IBGZPJMESA-N 0 3 347.462 4.172 20 10 EICDHN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000775206049 1050859945 /nfs/dbraw/zinc/85/99/45/1050859945.db2.gz UGGCKDUBZPQCIQ-IBGZPJMESA-N 0 3 347.462 4.172 20 10 EICDHN Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000775206050 1050860001 /nfs/dbraw/zinc/86/00/01/1050860001.db2.gz UGGCKDUBZPQCIQ-LJQANCHMSA-N 0 3 347.462 4.172 20 10 EICDHN Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000775206050 1050860005 /nfs/dbraw/zinc/86/00/05/1050860005.db2.gz UGGCKDUBZPQCIQ-LJQANCHMSA-N 0 3 347.462 4.172 20 10 EICDHN Cc1ccc([C@@H](C)C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC001180429504 1050986771 /nfs/dbraw/zinc/98/67/71/1050986771.db2.gz BOGQKDNCHNBDFC-RXVVDRJESA-N 0 3 339.479 4.485 20 10 EICDHN Cc1ccc([C@@H](C)C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC001180429504 1050986790 /nfs/dbraw/zinc/98/67/90/1050986790.db2.gz BOGQKDNCHNBDFC-RXVVDRJESA-N 0 3 339.479 4.485 20 10 EICDHN CCCOc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000775365831 1051135336 /nfs/dbraw/zinc/13/53/36/1051135336.db2.gz XYEJZUGVBBDHCO-INIZCTEOSA-N 0 3 342.483 4.401 20 10 EICDHN CCOc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1OC(F)F ZINC000183554510 1051166455 /nfs/dbraw/zinc/16/64/55/1051166455.db2.gz SRGPTRMYAOLIOK-GFCCVEGCSA-N 0 3 337.366 4.243 20 10 EICDHN CCOc1cccc(CN[C@H](C)c2ccccc2O)c1OC(F)F ZINC000183554510 1051166464 /nfs/dbraw/zinc/16/64/64/1051166464.db2.gz SRGPTRMYAOLIOK-GFCCVEGCSA-N 0 3 337.366 4.243 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2sc(C)nc2C(F)(F)F)c1 ZINC000183643527 1051202787 /nfs/dbraw/zinc/20/27/87/1051202787.db2.gz IBYLBAHDABYFMW-QMMMGPOBSA-N 0 3 346.374 4.035 20 10 EICDHN CC[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1Cl)c1ccccc1[O-] ZINC000775411717 1051277121 /nfs/dbraw/zinc/27/71/21/1051277121.db2.gz HVNWHOOQPASVJC-HNNXBMFYSA-N 0 3 332.831 4.033 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@H]1COC2(CCCCC2)O1)C1CCCC1 ZINC001190894671 1051301025 /nfs/dbraw/zinc/30/10/25/1051301025.db2.gz GYDZSCCGCSZBLW-IBGZPJMESA-N 0 3 345.483 4.213 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@H]1COC2(CCCCC2)O1)C1CCCC1 ZINC001190894671 1051301033 /nfs/dbraw/zinc/30/10/33/1051301033.db2.gz GYDZSCCGCSZBLW-IBGZPJMESA-N 0 3 345.483 4.213 20 10 EICDHN CCCN1CC[C@H](C[NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490223 1051583652 /nfs/dbraw/zinc/58/36/52/1051583652.db2.gz AIRBYUJCEYQYKC-IUODEOHRSA-N 0 3 345.314 4.472 20 10 EICDHN Cc1ccc(C)c(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484019 1051610504 /nfs/dbraw/zinc/61/05/04/1051610504.db2.gz RRVGLIVHBSCESX-SJORKVTESA-N 0 3 339.483 4.047 20 10 EICDHN Cc1ccc2c(CN[C@@H](C)c3ccc(N(C)C)cc3)cc(=O)oc2c1 ZINC000774486708 1051614675 /nfs/dbraw/zinc/61/46/75/1051614675.db2.gz XFKAZPVOBFKAKN-HNNXBMFYSA-N 0 3 336.435 4.018 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1[O-] ZINC000775507043 1051646014 /nfs/dbraw/zinc/64/60/14/1051646014.db2.gz GOMCJRQJNLFHGC-DOTOQJQBSA-N 0 3 340.250 4.473 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccccc1[O-] ZINC000775514109 1051662343 /nfs/dbraw/zinc/66/23/43/1051662343.db2.gz WESCPAGUUGXYSF-MSOLQXFVSA-N 0 3 332.875 4.389 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccccc1[O-] ZINC000775531602 1051751214 /nfs/dbraw/zinc/75/12/14/1051751214.db2.gz IKBFGFMPKASVAZ-QAPCUYQASA-N 0 3 330.859 4.365 20 10 EICDHN Cc1cc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])cc1Br ZINC001250120300 1051876281 /nfs/dbraw/zinc/87/62/81/1051876281.db2.gz AWHNQFKGENWYLF-LLVKDONJSA-N 0 3 348.231 4.330 20 10 EICDHN Cc1cc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])cc1Br ZINC001250120300 1051876284 /nfs/dbraw/zinc/87/62/84/1051876284.db2.gz AWHNQFKGENWYLF-LLVKDONJSA-N 0 3 348.231 4.330 20 10 EICDHN CN(C)c1ccc(/C=C\CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798522 1051901794 /nfs/dbraw/zinc/90/17/94/1051901794.db2.gz FPCNPAUOPDCJRG-QGZUEGPWSA-N 0 3 342.380 4.132 20 10 EICDHN Oc1cccc2c1[C@H](NCc1cc(F)ccc1Br)CC2 ZINC000296179829 1052085005 /nfs/dbraw/zinc/08/50/05/1052085005.db2.gz XZPZHJDWJCXYPM-CQSZACIVSA-N 0 3 336.204 4.071 20 10 EICDHN C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000185093607 1052408478 /nfs/dbraw/zinc/40/84/78/1052408478.db2.gz MXCGSTUNWRPGKU-LLVKDONJSA-N 0 3 343.320 4.323 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c([O-])c1 ZINC000185124252 1052446817 /nfs/dbraw/zinc/44/68/17/1052446817.db2.gz YLULHKWNDTXVHU-MRXNPFEDSA-N 0 3 343.442 4.239 20 10 EICDHN C[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185469873 1052610888 /nfs/dbraw/zinc/61/08/88/1052610888.db2.gz LWFQRFOSBXSWAG-HZPDHXFCSA-N 0 3 342.458 4.408 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1cc(F)ccc1[O-] ZINC000185592863 1052651505 /nfs/dbraw/zinc/65/15/05/1052651505.db2.gz HKTIJCOSAMLKSR-ZDUSSCGKSA-N 0 3 345.414 4.337 20 10 EICDHN C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000325250800 1053036367 /nfs/dbraw/zinc/03/63/67/1053036367.db2.gz VDOUIIOBFPJZEF-KXBFYZLASA-N 0 3 328.431 4.019 20 10 EICDHN COc1cc(CN[C@@H](C)c2cnn(C(C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000850134892 1053075580 /nfs/dbraw/zinc/07/55/80/1053075580.db2.gz JKTGTKWTQODJEF-AWEZNQCLSA-N 0 3 345.487 4.327 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2cc3ccccc3c(Cl)n2)c1 ZINC000794563048 1053080688 /nfs/dbraw/zinc/08/06/88/1053080688.db2.gz SSLGIWPDVDRQGP-LBPRGKRZSA-N 0 3 342.826 4.453 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H]2CCc3ccc(O)cc32)cc1F ZINC000850387306 1053158561 /nfs/dbraw/zinc/15/85/61/1053158561.db2.gz QTYBLRQMCTZAGZ-LJQANCHMSA-N 0 3 328.431 4.155 20 10 EICDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCN(c3ccccc3Cl)C1)CC2 ZINC000850484170 1053258038 /nfs/dbraw/zinc/25/80/38/1053258038.db2.gz DJEVWMLIHVIMKF-RHSMWYFYSA-N 0 3 342.870 4.149 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccnc2N2CCCC2)c1[O-] ZINC000850502643 1053263423 /nfs/dbraw/zinc/26/34/23/1053263423.db2.gz YOLFEVGZOLKCGT-CQSZACIVSA-N 0 3 345.874 4.200 20 10 EICDHN C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000850504806 1053265100 /nfs/dbraw/zinc/26/51/00/1053265100.db2.gz FQDDRJJHSXFVAR-BMIGLBTASA-N 0 3 335.341 4.072 20 10 EICDHN COc1ccc(O)c(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000775636993 1053269394 /nfs/dbraw/zinc/26/93/94/1053269394.db2.gz KJELUBYQNRODGR-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN COc1ccc(O)c(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000775636993 1053269421 /nfs/dbraw/zinc/26/94/21/1053269421.db2.gz KJELUBYQNRODGR-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1[O-] ZINC000850537599 1053300499 /nfs/dbraw/zinc/30/04/99/1053300499.db2.gz WESCVOONCDFRFT-RNCFNFMXSA-N 0 3 334.204 4.159 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2c(C3CCC3)cnn2C)c1[O-] ZINC000850549663 1053305789 /nfs/dbraw/zinc/30/57/89/1053305789.db2.gz IRKIZMOLTUFVBX-LBPRGKRZSA-N 0 3 333.863 4.206 20 10 EICDHN CC(C)[C@H](O)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850553936 1053310240 /nfs/dbraw/zinc/31/02/40/1053310240.db2.gz FIYRGNQUKLCFQC-DQLDELGASA-N 0 3 326.484 4.161 20 10 EICDHN CC[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccccc1[O-] ZINC000850569313 1053321291 /nfs/dbraw/zinc/32/12/91/1053321291.db2.gz ACEPEGFOIGKFOW-AWEZNQCLSA-N 0 3 325.330 4.374 20 10 EICDHN CN(C)c1ccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000794797510 1053381316 /nfs/dbraw/zinc/38/13/16/1053381316.db2.gz ZIYHGKHZDHVBGO-OAQYLSRUSA-N 0 3 346.478 4.106 20 10 EICDHN CCC(CC)C(=O)N1CCC([NH2+][C@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000794797721 1053381718 /nfs/dbraw/zinc/38/17/18/1053381718.db2.gz QGGLVZHFELFSOW-LJQANCHMSA-N 0 3 346.515 4.169 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1ccco1)N(CC)CC)c1ccc(C)cc1[O-] ZINC000794802397 1053385478 /nfs/dbraw/zinc/38/54/78/1053385478.db2.gz FCJCSNHAUOIYGV-QZTJIDSGSA-N 0 3 330.472 4.417 20 10 EICDHN CC[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1[O-] ZINC000794804940 1053393005 /nfs/dbraw/zinc/39/30/05/1053393005.db2.gz WJMXPLMASRTDNZ-IAGOWNOFSA-N 0 3 348.487 4.045 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000794807819 1053416328 /nfs/dbraw/zinc/41/63/28/1053416328.db2.gz LVSPPRYKRQFTAM-MAUKXSAKSA-N 0 3 343.467 4.390 20 10 EICDHN Cn1c2ccccc2nc1CN(Cc1ccccc1O)C1CCCC1 ZINC000109797467 1053422731 /nfs/dbraw/zinc/42/27/31/1053422731.db2.gz WPTISCXKDPXLLC-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1[O-] ZINC000794814643 1053424242 /nfs/dbraw/zinc/42/42/42/1053424242.db2.gz HGDVVMLMJCXZMV-SJORKVTESA-N 0 3 348.487 4.045 20 10 EICDHN COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000794824634 1053429444 /nfs/dbraw/zinc/42/94/44/1053429444.db2.gz KTCNGOOSMJLYJW-PKOBYXMFSA-N 0 3 327.468 4.389 20 10 EICDHN CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794817643 1053431910 /nfs/dbraw/zinc/43/19/10/1053431910.db2.gz UNVMKLBZSKFTIT-DYXWJJEUSA-N 0 3 343.442 4.047 20 10 EICDHN COc1ccccc1C1([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000842902104 1053627698 /nfs/dbraw/zinc/62/76/98/1053627698.db2.gz LVWLHBMUAWQVIB-WFASDCNBSA-N 0 3 327.399 4.367 20 10 EICDHN COc1ccccc1C1(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000842902104 1053627704 /nfs/dbraw/zinc/62/77/04/1053627704.db2.gz LVWLHBMUAWQVIB-WFASDCNBSA-N 0 3 327.399 4.367 20 10 EICDHN CSCC[C@@H](C)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000775713827 1053659960 /nfs/dbraw/zinc/65/99/60/1053659960.db2.gz JPGCNEQPTFUWRK-LLVKDONJSA-N 0 3 332.307 4.037 20 10 EICDHN CSCC[C@@H](C)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000775713827 1053659967 /nfs/dbraw/zinc/65/99/67/1053659967.db2.gz JPGCNEQPTFUWRK-LLVKDONJSA-N 0 3 332.307 4.037 20 10 EICDHN C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000866409635 1053719493 /nfs/dbraw/zinc/71/94/93/1053719493.db2.gz PIERJMVODPBNGM-MGPLVRAMSA-N 0 3 341.785 4.098 20 10 EICDHN COc1cc2c(cc1F)C[N@H+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000776779625 1053873482 /nfs/dbraw/zinc/87/34/82/1053873482.db2.gz GSXNXPRWKZNORO-UHFFFAOYSA-N 0 3 337.394 4.251 20 10 EICDHN COc1cc2c(cc1F)C[N@@H+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000776779625 1053873490 /nfs/dbraw/zinc/87/34/90/1053873490.db2.gz GSXNXPRWKZNORO-UHFFFAOYSA-N 0 3 337.394 4.251 20 10 EICDHN COc1ccc([C@@H](NCc2cc(OC)ccc2O)c2ccccc2)cc1 ZINC000775778498 1053940797 /nfs/dbraw/zinc/94/07/97/1053940797.db2.gz TZIOQPTVCZXMTG-QFIPXVFZSA-N 0 3 349.430 4.289 20 10 EICDHN CC(C)OC(=O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775830247 1054101217 /nfs/dbraw/zinc/10/12/17/1054101217.db2.gz FZMYAMVSDRMVBY-INIZCTEOSA-N 0 3 340.467 4.169 20 10 EICDHN Cc1cccc(Cl)c1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775835605 1054114679 /nfs/dbraw/zinc/11/46/79/1054114679.db2.gz VJYWBOAMMUWBKW-CQSZACIVSA-N 0 3 345.874 4.004 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)c1[O-] ZINC000857082449 1054174074 /nfs/dbraw/zinc/17/40/74/1054174074.db2.gz VOGSFTVMRKALOM-UWVGGRQHSA-N 0 3 334.204 4.159 20 10 EICDHN COc1cccc(CNCc2ccc(-c3ccc(F)cc3)o2)c1O ZINC000775961688 1054404657 /nfs/dbraw/zinc/40/46/57/1054404657.db2.gz QYXPQICNEJIUIM-UHFFFAOYSA-N 0 3 327.355 4.090 20 10 EICDHN CCC[N@H+](Cc1ccc(OCC)cc1[O-])[C@@H]1CCCc2cccnc21 ZINC000775995559 1054435664 /nfs/dbraw/zinc/43/56/64/1054435664.db2.gz NQQCOFGJBAEURD-LJQANCHMSA-N 0 3 340.467 4.476 20 10 EICDHN CCC[N@@H+](Cc1ccc(OCC)cc1[O-])[C@@H]1CCCc2cccnc21 ZINC000775995559 1054435667 /nfs/dbraw/zinc/43/56/67/1054435667.db2.gz NQQCOFGJBAEURD-LJQANCHMSA-N 0 3 340.467 4.476 20 10 EICDHN Cc1nccn1CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776010181 1054444080 /nfs/dbraw/zinc/44/40/80/1054444080.db2.gz NAJQZHRKOREDBX-KRWDZBQOSA-N 0 3 335.451 4.161 20 10 EICDHN Cc1nccn1CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776010181 1054444084 /nfs/dbraw/zinc/44/40/84/1054444084.db2.gz NAJQZHRKOREDBX-KRWDZBQOSA-N 0 3 335.451 4.161 20 10 EICDHN CSCCCCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776009819 1054444350 /nfs/dbraw/zinc/44/43/50/1054444350.db2.gz OBMQDUVHJKLLEY-UHFFFAOYSA-N 0 3 332.307 4.086 20 10 EICDHN C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858490687 1054498693 /nfs/dbraw/zinc/49/86/93/1054498693.db2.gz LVGFHFKAJHLFLV-NWDGAFQWSA-N 0 3 331.287 4.082 20 10 EICDHN C[C@H](NCc1ccc[nH]c1=O)c1ccc(N2CCCCCC2)cc1 ZINC000858562734 1054517763 /nfs/dbraw/zinc/51/77/63/1054517763.db2.gz LYRHUKACKMFIMR-INIZCTEOSA-N 0 3 325.456 4.018 20 10 EICDHN COC(=O)CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000859219219 1054645286 /nfs/dbraw/zinc/64/52/86/1054645286.db2.gz SBHZMDKHBGHMHL-QGZVFWFLSA-N 0 3 341.451 4.299 20 10 EICDHN COC(=O)CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000859219219 1054645292 /nfs/dbraw/zinc/64/52/92/1054645292.db2.gz SBHZMDKHBGHMHL-QGZVFWFLSA-N 0 3 341.451 4.299 20 10 EICDHN CCOCc1cc(CN[C@@H]2CCc3c2cccc3OC)ccc1OC ZINC001201132883 1054679106 /nfs/dbraw/zinc/67/91/06/1054679106.db2.gz AXNVKMFBVFCLOG-LJQANCHMSA-N 0 3 341.451 4.017 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000186199878 1054890006 /nfs/dbraw/zinc/89/00/06/1054890006.db2.gz MKRIUGKSKPPENU-YHJVDBJQSA-N 0 3 346.421 4.075 20 10 EICDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC001201742646 1054892897 /nfs/dbraw/zinc/89/28/97/1054892897.db2.gz RUTKYMQSUUJPMQ-PEAOBZDDSA-N 0 3 340.442 4.408 20 10 EICDHN Cc1cccc(O)c1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000876630653 1054940347 /nfs/dbraw/zinc/94/03/47/1054940347.db2.gz HMKRPHHNNZSWRF-QWRGUYRKSA-N 0 3 341.295 4.263 20 10 EICDHN COc1ccc(C[NH2+][C@@H](C)CCc2cncc3ccccc32)c([O-])c1 ZINC000877493233 1055063452 /nfs/dbraw/zinc/06/34/52/1055063452.db2.gz IQWHDNVGAARZAL-HNNXBMFYSA-N 0 3 336.435 4.060 20 10 EICDHN CCCC[N@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1[O-] ZINC000877503070 1055066141 /nfs/dbraw/zinc/06/61/41/1055066141.db2.gz ADWYPVBUGKKKEU-UHFFFAOYSA-N 0 3 326.396 4.041 20 10 EICDHN CCCC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1[O-] ZINC000877503070 1055066154 /nfs/dbraw/zinc/06/61/54/1055066154.db2.gz ADWYPVBUGKKKEU-UHFFFAOYSA-N 0 3 326.396 4.041 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1[O-] ZINC000776248540 1055069686 /nfs/dbraw/zinc/06/96/86/1055069686.db2.gz LHAPVUGLHQJZIF-GFCCVEGCSA-N 0 3 334.204 4.131 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCc1ccccn1 ZINC000776263477 1055096366 /nfs/dbraw/zinc/09/63/66/1055096366.db2.gz CYNVXFNIATZPKY-OAQYLSRUSA-N 0 3 332.447 4.293 20 10 EICDHN COc1c(Br)cccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757420 1055114159 /nfs/dbraw/zinc/11/41/59/1055114159.db2.gz ZWBJWRVKFKCJEF-NSHDSACASA-N 0 3 336.229 4.014 20 10 EICDHN Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000877756287 1055114302 /nfs/dbraw/zinc/11/43/02/1055114302.db2.gz FKJHXJWDQOQBMK-JKSUJKDBSA-N 0 3 326.440 4.077 20 10 EICDHN Cc1cc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000119360670 1055178552 /nfs/dbraw/zinc/17/85/52/1055178552.db2.gz ZSXFNIKVSWUMKY-CVEARBPZSA-N 0 3 328.456 4.145 20 10 EICDHN COc1ccc(-c2ccc(C[NH2+]Cc3c([O-])cccc3OC)cc2)cc1 ZINC000742381417 1058584752 /nfs/dbraw/zinc/58/47/52/1058584752.db2.gz YXDUWLHCOIVBLO-UHFFFAOYSA-N 0 3 349.430 4.366 20 10 EICDHN C[C@@H](NCc1ccnn1CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000766561062 1060567181 /nfs/dbraw/zinc/56/71/81/1060567181.db2.gz QUKBOBANKHTWTF-GOSISDBHSA-N 0 3 348.494 4.043 20 10 EICDHN C[C@@H]([NH2+]C1CCC(OC(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC001169280519 1060731472 /nfs/dbraw/zinc/73/14/72/1060731472.db2.gz QXGZXEUOKWPDCR-FAEJEUNOSA-N 0 3 339.435 4.211 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(Br)s1)c1ccccc1[O-] ZINC000038018536 213190249 /nfs/dbraw/zinc/19/02/49/213190249.db2.gz WKUYMHFLSGJMIU-LBPRGKRZSA-N 0 3 326.259 4.457 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)c2cccs2)c1[O-] ZINC000228674503 1032160143 /nfs/dbraw/zinc/16/01/43/1032160143.db2.gz JOSMLRRZFCAUCC-UHFFFAOYSA-N 0 3 325.861 4.183 20 10 EICDHN Cc1cc(CNCc2scnc2C)c(C)n1-c1cccc(C)c1 ZINC000729685540 1032239907 /nfs/dbraw/zinc/23/99/07/1032239907.db2.gz GYMZZCAWAYBVRL-UHFFFAOYSA-N 0 3 325.481 4.457 20 10 EICDHN CC[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccccc1[O-] ZINC000156134876 1023011173 /nfs/dbraw/zinc/01/11/73/1023011173.db2.gz BEBRSCINOFLEGM-LLVKDONJSA-N 0 3 330.375 4.151 20 10 EICDHN CN(C)c1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000162526611 1023458992 /nfs/dbraw/zinc/45/89/92/1023458992.db2.gz YQMCAKXONMTPKC-UHFFFAOYSA-N 0 3 326.337 4.200 20 10 EICDHN CC[C@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000310942363 1023481956 /nfs/dbraw/zinc/48/19/56/1023481956.db2.gz WOHGNINCJZPJFJ-UNMCSNQZSA-N 0 3 338.495 4.345 20 10 EICDHN CC[C@H]([NH2+]Cc1ccccc1-n1nc(C)cc1C)c1ccccc1[O-] ZINC000156359924 1023625223 /nfs/dbraw/zinc/62/52/23/1023625223.db2.gz LUNUJOXQSDPKRM-IBGZPJMESA-N 0 3 335.451 4.436 20 10 EICDHN Cc1nc(C)c(CNCc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000280773441 1025886988 /nfs/dbraw/zinc/88/69/88/1025886988.db2.gz FHOIMRHGOYKOEY-UHFFFAOYSA-N 0 3 343.418 4.135 20 10 EICDHN CCOc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000168802310 1026211912 /nfs/dbraw/zinc/21/19/12/1026211912.db2.gz GZFVZTSAWUFDLI-HNNXBMFYSA-N 0 3 328.456 4.011 20 10 EICDHN Cc1ccc2nccc(N(C)Cc3ccc(N4CCOCC4)cc3)c2c1 ZINC000302172881 1027244861 /nfs/dbraw/zinc/24/48/61/1027244861.db2.gz VMZJAJVGBVSMAN-UHFFFAOYSA-N 0 3 347.462 4.016 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000184811943 1030094950 /nfs/dbraw/zinc/09/49/50/1030094950.db2.gz GJGGTWXUDHXPNQ-JOCHJYFZSA-N 0 3 331.415 4.177 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000184811943 1030094969 /nfs/dbraw/zinc/09/49/69/1030094969.db2.gz GJGGTWXUDHXPNQ-JOCHJYFZSA-N 0 3 331.415 4.177 20 10 EICDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1-n1cccn1 ZINC000185742776 1030222657 /nfs/dbraw/zinc/22/26/57/1030222657.db2.gz JFXRJWFKLFBXJZ-ZIAGYGMSSA-N 0 3 325.387 4.129 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCNC12CCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000530213519 1030224475 /nfs/dbraw/zinc/22/44/75/1030224475.db2.gz ADDYXVCPOLDJOZ-QWHCGFSZSA-N 0 3 329.271 4.024 20 10 EICDHN COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c(OC)c1 ZINC000527974951 1030984941 /nfs/dbraw/zinc/98/49/41/1030984941.db2.gz WXNYVWVUJFPNHH-BFQNTYOBSA-N 0 3 345.414 4.448 20 10 EICDHN CCC(CC)(C[NH2+][C@@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000310058390 1031007357 /nfs/dbraw/zinc/00/73/57/1031007357.db2.gz TXLHDPABBQAIHP-AWEZNQCLSA-N 0 3 336.476 4.126 20 10 EICDHN COc1ccc([C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)C2CC2)cn1 ZINC000528043648 1031059007 /nfs/dbraw/zinc/05/90/07/1031059007.db2.gz OZTVDKODSXACIJ-CVWILIBFSA-N 0 3 342.414 4.224 20 10 EICDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H]1C ZINC001168243462 1031426990 /nfs/dbraw/zinc/42/69/90/1031426990.db2.gz DZVUYNSMNUHCGL-ZIFCJYIRSA-N 0 3 325.452 4.380 20 10 EICDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H]1C ZINC001168243462 1031426995 /nfs/dbraw/zinc/42/69/95/1031426995.db2.gz DZVUYNSMNUHCGL-ZIFCJYIRSA-N 0 3 325.452 4.380 20 10 EICDHN CC[C@@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000310942359 1031945635 /nfs/dbraw/zinc/94/56/35/1031945635.db2.gz WOHGNINCJZPJFJ-IRLDBZIGSA-N 0 3 338.495 4.345 20 10 EICDHN Cc1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000913169538 1035538146 /nfs/dbraw/zinc/53/81/46/1035538146.db2.gz AFJSDYMDBVBZKO-UHFFFAOYSA-N 0 3 339.439 4.183 20 10 EICDHN [O-]c1ccccc1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227855907 1035912421 /nfs/dbraw/zinc/91/24/21/1035912421.db2.gz PQPYYIDEWURSTM-UHFFFAOYSA-N 0 3 332.650 4.159 20 10 EICDHN COc1cc(Cl)cc(CN2CCC[C@H]2c2ccc(O)cc2)c1O ZINC000761195221 1036020109 /nfs/dbraw/zinc/02/01/09/1036020109.db2.gz JXQGXEAKYGRKBF-INIZCTEOSA-N 0 3 333.815 4.097 20 10 EICDHN CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000761228127 1036285365 /nfs/dbraw/zinc/28/53/65/1036285365.db2.gz HCMDZAYAFXNEFG-LLVKDONJSA-N 0 3 340.183 4.284 20 10 EICDHN COC[C@H](N[C@@H](C)c1ccc(C)c(C)c1O)c1ccc(F)c(F)c1 ZINC000273349419 1037426590 /nfs/dbraw/zinc/42/65/90/1037426590.db2.gz BIHZLTULDDPPIW-UGSOOPFHSA-N 0 3 335.394 4.326 20 10 EICDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273508961 1037491108 /nfs/dbraw/zinc/49/11/08/1037491108.db2.gz QLLPUEWSQUHFFS-HKUYNNGSSA-N 0 3 333.378 4.023 20 10 EICDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273508961 1037491119 /nfs/dbraw/zinc/49/11/19/1037491119.db2.gz QLLPUEWSQUHFFS-HKUYNNGSSA-N 0 3 333.378 4.023 20 10 EICDHN C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc2ccccc2c1[O-] ZINC000760899505 1037651005 /nfs/dbraw/zinc/65/10/05/1037651005.db2.gz ZCQDZFCLKODIQG-INIZCTEOSA-N 0 3 326.484 4.318 20 10 EICDHN Cc1ccc(O)c([C@H](C)NCc2cc(Br)ccc2F)c1 ZINC000041069282 1040621370 /nfs/dbraw/zinc/62/13/70/1040621370.db2.gz BFYUIMJYBWJIGW-NSHDSACASA-N 0 3 338.220 4.453 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 ZINC000152076741 1042626817 /nfs/dbraw/zinc/62/68/17/1042626817.db2.gz GVNJJLGZJOVTMT-MRXNPFEDSA-N 0 3 338.451 4.256 20 10 EICDHN Cc1cc(O)c(CN(C)Cc2cc(Br)cs2)cc1C ZINC000048621229 1042720500 /nfs/dbraw/zinc/72/05/00/1042720500.db2.gz XLYUDSFBFVJNMJ-UHFFFAOYSA-N 0 3 340.286 4.465 20 10 EICDHN COc1ccc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)cc1C ZINC000237220555 1042998523 /nfs/dbraw/zinc/99/85/23/1042998523.db2.gz PDNDXGHVNXRUFF-UHFFFAOYSA-N 0 3 341.451 4.249 20 10 EICDHN CN1CCCc2cc(CN[C@H]3CCCOc4ccc(F)cc43)ccc21 ZINC000727644999 1043255487 /nfs/dbraw/zinc/25/54/87/1043255487.db2.gz UXPJBLPZBWYNEX-IBGZPJMESA-N 0 3 340.442 4.212 20 10 EICDHN Cc1cccc2nc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)cn21 ZINC000732204213 1043887425 /nfs/dbraw/zinc/88/74/25/1043887425.db2.gz FVYSQKAKTXTELW-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN Cc1cccc2nc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)cn21 ZINC000732204213 1043887430 /nfs/dbraw/zinc/88/74/30/1043887430.db2.gz FVYSQKAKTXTELW-UHFFFAOYSA-N 0 3 335.451 4.293 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]CCCCC(=O)OCc2ccccc2)c([O-])c1 ZINC000186520574 1044252171 /nfs/dbraw/zinc/25/21/71/1044252171.db2.gz ZUHNSDZJPUXCGY-KRWDZBQOSA-N 0 3 341.451 4.265 20 10 EICDHN C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000734845860 1044697636 /nfs/dbraw/zinc/69/76/36/1044697636.db2.gz JTEPRPKXWGJXJG-VGSWGCGISA-N 0 3 347.458 4.313 20 10 EICDHN COc1cc(CN[C@H](c2ccccn2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000922582133 1044826115 /nfs/dbraw/zinc/82/61/15/1044826115.db2.gz LVIPQXGIAPCWKL-IBGZPJMESA-N 0 3 340.467 4.334 20 10 EICDHN C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCCCC2)cc1 ZINC000282412588 1045088767 /nfs/dbraw/zinc/08/87/67/1045088767.db2.gz LFEQJKYGJSHJSM-OXJNMPFZSA-N 0 3 338.499 4.139 20 10 EICDHN [O-]c1ccccc1C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000790534176 1045525835 /nfs/dbraw/zinc/52/58/35/1045525835.db2.gz UZVFKMAICLUEFV-UHFFFAOYSA-N 0 3 330.840 4.459 20 10 EICDHN Cc1cc(CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n(C)n1 ZINC000790603227 1045544130 /nfs/dbraw/zinc/54/41/30/1045544130.db2.gz YDQGESWDJBXRSR-UHFFFAOYSA-N 0 3 343.515 4.319 20 10 EICDHN CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1C[C@@H](C)c3c1c([O-])ccc3F)CC2 ZINC000790697147 1045560760 /nfs/dbraw/zinc/56/07/60/1045560760.db2.gz KAQVFWDOWKEXRT-IVMMDQJWSA-N 0 3 343.446 4.004 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccnc2ccccc12)C[C@H]1CCCO1 ZINC000768160912 1045729281 /nfs/dbraw/zinc/72/92/81/1045729281.db2.gz CAMGMGOQKVOZGZ-LJQANCHMSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccnc2ccccc12)C[C@H]1CCCO1 ZINC000768160912 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CTVPCBCISILHMO-UHFFFAOYSA-N 0 3 340.467 4.023 20 10 EICDHN CCOc1ccc(C[N@@H+](C)Cc2ccccc2N2CCCC2)c([O-])c1 ZINC000768205401 1045743874 /nfs/dbraw/zinc/74/38/74/1045743874.db2.gz CTVPCBCISILHMO-UHFFFAOYSA-N 0 3 340.467 4.023 20 10 EICDHN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000769149000 1045885415 /nfs/dbraw/zinc/88/54/15/1045885415.db2.gz WQJYCVKUNHZAFJ-HOTGVXAUSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000769149000 1045885422 /nfs/dbraw/zinc/88/54/22/1045885422.db2.gz WQJYCVKUNHZAFJ-HOTGVXAUSA-N 0 3 336.907 4.132 20 10 EICDHN CCC[N@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccccc1[O-] ZINC000769200968 1045893416 /nfs/dbraw/zinc/89/34/16/1045893416.db2.gz LAZNPMJWJOPDTM-UHFFFAOYSA-N 0 3 339.464 4.323 20 10 EICDHN CCC[N@@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccccc1[O-] ZINC000769200968 1045893420 /nfs/dbraw/zinc/89/34/20/1045893420.db2.gz LAZNPMJWJOPDTM-UHFFFAOYSA-N 0 3 339.464 4.323 20 10 EICDHN CCOc1ccc(O)c(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000769386568 1045944580 /nfs/dbraw/zinc/94/45/80/1045944580.db2.gz BPKAFBITCRYOOL-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN CCOc1ccc(O)c(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000769386568 1045944585 /nfs/dbraw/zinc/94/45/85/1045944585.db2.gz BPKAFBITCRYOOL-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c([O-])c1 ZINC000769403917 1045951312 /nfs/dbraw/zinc/95/13/12/1045951312.db2.gz JUZGIMCGWMAIDQ-MRXNPFEDSA-N 0 3 332.469 4.065 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c([O-])c1 ZINC000769403917 1045951308 /nfs/dbraw/zinc/95/13/08/1045951308.db2.gz JUZGIMCGWMAIDQ-MRXNPFEDSA-N 0 3 332.469 4.065 20 10 EICDHN COc1cccc([O-])c1C[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000769462876 1045983429 /nfs/dbraw/zinc/98/34/29/1045983429.db2.gz LHHVMUFHBALTSW-KUHUBIRLSA-N 0 3 329.465 4.079 20 10 EICDHN COc1cccc([O-])c1C[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000769462876 1045983434 /nfs/dbraw/zinc/98/34/34/1045983434.db2.gz LHHVMUFHBALTSW-KUHUBIRLSA-N 0 3 329.465 4.079 20 10 EICDHN CCN(CC)c1ccc(CN2CCC(OCC3CC3)CC2)cc1F ZINC000769501624 1046001607 /nfs/dbraw/zinc/00/16/07/1046001607.db2.gz JSFNUCXOMZCLEZ-UHFFFAOYSA-N 0 3 334.479 4.063 20 10 EICDHN CCN(CC)c1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000769934706 1046116861 /nfs/dbraw/zinc/11/68/61/1046116861.db2.gz UVBTWTUGLHTQDU-UHFFFAOYSA-N 0 3 338.451 4.040 20 10 EICDHN COCC1(C)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793062648 1046133144 /nfs/dbraw/zinc/13/31/44/1046133144.db2.gz JOGHLIRAEWKKEG-UHFFFAOYSA-N 0 3 344.421 4.020 20 10 EICDHN Cc1cccc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])n1 ZINC000793201911 1046160284 /nfs/dbraw/zinc/16/02/84/1046160284.db2.gz AISRFPAIKGKJOM-UHFFFAOYSA-N 0 3 348.446 4.007 20 10 EICDHN COc1cccc(CN2CCC(=Cc3ccccc3F)CC2)c1O ZINC000770306888 1046176564 /nfs/dbraw/zinc/17/65/64/1046176564.db2.gz SWDWLIBPCDEKOK-UHFFFAOYSA-N 0 3 327.399 4.219 20 10 EICDHN COc1cccc(O)c1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000771926987 1046518266 /nfs/dbraw/zinc/51/82/66/1046518266.db2.gz KQZWTKJNOBRFRY-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN CO[C@H](CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(F)(F)F ZINC000786823890 1046875546 /nfs/dbraw/zinc/87/55/46/1046875546.db2.gz PKCHQLPNRFFBCZ-QGZVFWFLSA-N 0 3 339.357 4.116 20 10 EICDHN Cc1nccn1CCC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000746627001 1046892072 /nfs/dbraw/zinc/89/20/72/1046892072.db2.gz JYMCVBCUUQAPJZ-UHFFFAOYSA-N 0 3 349.434 4.319 20 10 EICDHN Cc1nccn1CCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000746627001 1046892073 /nfs/dbraw/zinc/89/20/73/1046892073.db2.gz JYMCVBCUUQAPJZ-UHFFFAOYSA-N 0 3 349.434 4.319 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000806172211 1047159954 /nfs/dbraw/zinc/15/99/54/1047159954.db2.gz HYBBWNYSGQAUCV-JLZZUVOBSA-N 0 3 346.421 4.111 20 10 EICDHN CC(C)Oc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000806175971 1047163838 /nfs/dbraw/zinc/16/38/38/1047163838.db2.gz GVYLBVGGNAYUJQ-OXJNMPFZSA-N 0 3 342.483 4.133 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000788590975 1047240320 /nfs/dbraw/zinc/24/03/20/1047240320.db2.gz XHMUFNQNJCXAQY-HNNXBMFYSA-N 0 3 348.487 4.059 20 10 EICDHN CCN(CC)c1ccc(CN[C@H](c2ccncc2)C2CC2)cc1F ZINC000898326970 1047618643 /nfs/dbraw/zinc/61/86/43/1047618643.db2.gz YLTIVNQJXHCJQX-FQEVSTJZSA-N 0 3 327.447 4.308 20 10 EICDHN CCSc1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c1 ZINC000814173639 1047866229 /nfs/dbraw/zinc/86/62/29/1047866229.db2.gz UONQGIAWPLMAOR-UHFFFAOYSA-N 0 3 337.872 4.456 20 10 EICDHN CCOC1(C)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000814170512 1047873532 /nfs/dbraw/zinc/87/35/32/1047873532.db2.gz XJYQGSUQADWZHU-UHFFFAOYSA-N 0 3 344.421 4.162 20 10 EICDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171065758 1047933767 /nfs/dbraw/zinc/93/37/67/1047933767.db2.gz AFASZWYDILGENC-ZDUSSCGKSA-N 0 3 338.234 4.052 20 10 EICDHN CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(C(F)(F)F)cc1[O-] ZINC000824988876 1048016115 /nfs/dbraw/zinc/01/61/15/1048016115.db2.gz SUUGXHKIHJHXIF-NQKGRLOXSA-N 0 3 342.405 4.077 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1[O-] ZINC000808676278 1048046586 /nfs/dbraw/zinc/04/65/86/1048046586.db2.gz JXLQQULKSQEUPH-CQSZACIVSA-N 0 3 345.874 4.069 20 10 EICDHN COc1cccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1OC ZINC000808678989 1048047590 /nfs/dbraw/zinc/04/75/90/1048047590.db2.gz ZJFDIZLNXHHHJU-CYBMUJFWSA-N 0 3 349.858 4.265 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c1[O-] ZINC000808705510 1048050110 /nfs/dbraw/zinc/05/01/10/1048050110.db2.gz JBIOUODTZDVJOO-ACJLOTCBSA-N 0 3 331.843 4.319 20 10 EICDHN CCN(C)c1ccc(CN2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000844382754 1048316053 /nfs/dbraw/zinc/31/60/53/1048316053.db2.gz ILTVSWPFXNPQMX-UHFFFAOYSA-N 0 3 330.369 4.009 20 10 EICDHN Cc1cc(CN2CC=C(c3ccc(Cl)nc3)CC2)ccc1N(C)C ZINC000815080132 1048322895 /nfs/dbraw/zinc/32/28/95/1048322895.db2.gz HVUMKQQXKNECTQ-UHFFFAOYSA-N 0 3 341.886 4.399 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccccc1 ZINC000815553553 1048506001 /nfs/dbraw/zinc/50/60/01/1048506001.db2.gz CRPAAOBFVWPDLZ-GGAORHGYSA-N 0 3 347.458 4.389 20 10 EICDHN CCN1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815553518 1048506368 /nfs/dbraw/zinc/50/63/68/1048506368.db2.gz BUXHRHWAJBJOIY-OAQYLSRUSA-N 0 3 338.495 4.140 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCCO1 ZINC000815565843 1048511312 /nfs/dbraw/zinc/51/13/12/1048511312.db2.gz BOOHTNFAGVPBBW-AZUAARDMSA-N 0 3 325.452 4.225 20 10 EICDHN COc1cccc(CNCc2ccc(-c3ccccc3)cc2OC)c1O ZINC000809741826 1048512695 /nfs/dbraw/zinc/51/26/95/1048512695.db2.gz YEFGNENJVQUUJZ-UHFFFAOYSA-N 0 3 349.430 4.366 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCCO1 ZINC000815565846 1048513049 /nfs/dbraw/zinc/51/30/49/1048513049.db2.gz BOOHTNFAGVPBBW-UYAOXDASSA-N 0 3 325.452 4.225 20 10 EICDHN Cc1cc(Cl)cc(C[NH+]2CCC(CCCn3ccnc3)CC2)c1[O-] ZINC000809749365 1048517022 /nfs/dbraw/zinc/51/70/22/1048517022.db2.gz MZTULOKDTTXLPB-UHFFFAOYSA-N 0 3 347.890 4.243 20 10 EICDHN CCC[C@@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579926 1048521372 /nfs/dbraw/zinc/52/13/72/1048521372.db2.gz YPZBODYLXUBQNK-TZIWHRDSSA-N 0 3 327.468 4.207 20 10 EICDHN C[C@@H]1C[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCO1 ZINC000815590531 1048528440 /nfs/dbraw/zinc/52/84/40/1048528440.db2.gz ZBDFGQNTSWSQTA-QFUCXCTJSA-N 0 3 339.479 4.471 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000815597869 1048529307 /nfs/dbraw/zinc/52/93/07/1048529307.db2.gz IAEMDVLUJFQGIA-OXQOHEQNSA-N 0 3 325.452 4.173 20 10 EICDHN C[C@H](O)CC(C)(C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595064 1048529764 /nfs/dbraw/zinc/52/97/64/1048529764.db2.gz GUTKWTAYITWJIS-FXAWDEMLSA-N 0 3 341.495 4.453 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c([O-])c1 ZINC000815598665 1048532796 /nfs/dbraw/zinc/53/27/96/1048532796.db2.gz ZTMWVFLZCRLCRL-PKOBYXMFSA-N 0 3 341.495 4.462 20 10 EICDHN Cc1cc(Br)cc(CN[C@H]2c3ccccc3O[C@H]2C)c1O ZINC000809788514 1048534309 /nfs/dbraw/zinc/53/43/09/1048534309.db2.gz SLMDEUYEMYZRIU-MEDUHNTESA-N 0 3 348.240 4.075 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)c1[O-] ZINC000809788514 1048534319 /nfs/dbraw/zinc/53/43/19/1048534319.db2.gz SLMDEUYEMYZRIU-MEDUHNTESA-N 0 3 348.240 4.075 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000815615716 1048542913 /nfs/dbraw/zinc/54/29/13/1048542913.db2.gz VYSYRZMLTKBXRD-ICSRJNTNSA-N 0 3 325.452 4.082 20 10 EICDHN CO[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815651410 1048575299 /nfs/dbraw/zinc/57/52/99/1048575299.db2.gz SDQFFYMEGTVWKI-PZJWPPBQSA-N 0 3 325.452 4.081 20 10 EICDHN CO[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815651411 1048576216 /nfs/dbraw/zinc/57/62/16/1048576216.db2.gz SDQFFYMEGTVWKI-TZIWHRDSSA-N 0 3 325.452 4.081 20 10 EICDHN COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2ccccc2[O-])cc1 ZINC000810171743 1048654100 /nfs/dbraw/zinc/65/41/00/1048654100.db2.gz SBBUOYIEVKKNSR-NRFANRHFSA-N 0 3 333.431 4.474 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209962 1048707082 /nfs/dbraw/zinc/70/70/82/1048707082.db2.gz XSKJYFWJXYFSJN-HRCADAONSA-N 0 3 342.405 4.079 20 10 EICDHN CCCCOc1ccccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000845972701 1048772452 /nfs/dbraw/zinc/77/24/52/1048772452.db2.gz SSYUQKUHTWHXTE-HNNXBMFYSA-N 0 3 329.440 4.431 20 10 EICDHN CCCCOc1ccccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000845972703 1048773069 /nfs/dbraw/zinc/77/30/69/1048773069.db2.gz SSYUQKUHTWHXTE-OAHLLOKOSA-N 0 3 329.440 4.431 20 10 EICDHN Cn1ncc(CN(Cc2ccccc2O)C2CCCCC2)c1Cl ZINC000816480131 1048811304 /nfs/dbraw/zinc/81/13/04/1048811304.db2.gz DMHFRRWBFNLPOG-UHFFFAOYSA-N 0 3 333.863 4.114 20 10 EICDHN COc1cccc([C@H](C)NCc2ccccc2OC2CCC2)c1O ZINC000846153413 1048824225 /nfs/dbraw/zinc/82/42/25/1048824225.db2.gz YHEVFJSGGLINDA-AWEZNQCLSA-N 0 3 327.424 4.183 20 10 EICDHN COc1cccc([C@H](C)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000846169162 1048828280 /nfs/dbraw/zinc/82/82/80/1048828280.db2.gz PIOYZSGXJYCUPS-TVQRCGJNSA-N 0 3 337.341 4.156 20 10 EICDHN COc1cccc([C@@H](C)NCc2ccccc2OC(F)(F)F)c1O ZINC000846135415 1048829781 /nfs/dbraw/zinc/82/97/81/1048829781.db2.gz DBMNQTYLPIROQA-LLVKDONJSA-N 0 3 341.329 4.150 20 10 EICDHN C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000846185492 1048836808 /nfs/dbraw/zinc/83/68/08/1048836808.db2.gz AGVDQIDHAMLXIE-SPLOXXLWSA-N 0 3 329.484 4.127 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1[O-] ZINC000816631337 1048841006 /nfs/dbraw/zinc/84/10/06/1048841006.db2.gz OEAFUQUWCOVHOR-IBGZPJMESA-N 0 3 345.870 4.348 20 10 EICDHN CC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817966449 1049072531 /nfs/dbraw/zinc/07/25/31/1049072531.db2.gz OBQAIPLVTCPUCN-ZBFHGGJFSA-N 0 3 331.287 4.129 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984819 1049081002 /nfs/dbraw/zinc/08/10/02/1049081002.db2.gz ANNMXHGZXNTRDA-WDEREUQCSA-N 0 3 329.271 4.024 20 10 EICDHN COc1ccc(N2CC[C@@H](CNCc3ccsc3Cl)C2)cc1 ZINC000818222940 1049114905 /nfs/dbraw/zinc/11/49/05/1049114905.db2.gz YRLQQTIBUCVKMA-ZDUSSCGKSA-N 0 3 336.888 4.026 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCOc3c(OC)cccc32)cc1 ZINC000772987460 1049265166 /nfs/dbraw/zinc/26/51/66/1049265166.db2.gz WEUJALBJIMXORP-HNAYVOBHSA-N 0 3 340.467 4.326 20 10 EICDHN C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)c1ccccc1[O-] ZINC000282797398 1049462397 /nfs/dbraw/zinc/46/23/97/1049462397.db2.gz QPKHADOTPFOCHC-NHYWBVRUSA-N 0 3 348.240 4.329 20 10 EICDHN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773050945 1049553945 /nfs/dbraw/zinc/55/39/45/1049553945.db2.gz VWMLSLMQKPJMMH-QFBILLFUSA-N 0 3 344.524 4.431 20 10 EICDHN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773107936 1049585055 /nfs/dbraw/zinc/58/50/55/1049585055.db2.gz RKGLNTKMDZLTRG-HOCLYGCPSA-N 0 3 344.421 4.031 20 10 EICDHN c1csc(SCCCN[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000180574862 1049919426 /nfs/dbraw/zinc/91/94/26/1049919426.db2.gz ZSBTXMXKHMSXMA-KRWDZBQOSA-N 0 3 341.505 4.400 20 10 EICDHN Cc1nc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])sc1C ZINC000763491268 1050068356 /nfs/dbraw/zinc/06/83/56/1050068356.db2.gz XDQQYLANOPEKAY-UHFFFAOYSA-N 0 3 338.476 4.465 20 10 EICDHN CC(=O)Oc1ccc(C2CCC([NH2+]Cc3ccccc3[O-])CC2)cc1 ZINC001173781337 1050569715 /nfs/dbraw/zinc/56/97/15/1050569715.db2.gz ISSCTHGBHGIBLZ-UHFFFAOYSA-N 0 3 339.435 4.134 20 10 EICDHN CCCn1cc(CNCc2cc(C)n(-c3ccccc3)c2C)c(C)n1 ZINC001179339033 1050679881 /nfs/dbraw/zinc/67/98/81/1050679881.db2.gz RGTTZQSULDAOJC-UHFFFAOYSA-N 0 3 336.483 4.299 20 10 EICDHN COc1ccc(CN2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c(O)c1OC ZINC001179962789 1050848363 /nfs/dbraw/zinc/84/83/63/1050848363.db2.gz SJSRDQWUIDMKPD-CJNGLKHVSA-N 0 3 345.439 4.284 20 10 EICDHN Cc1cnccc1Nc1cc(Br)c(C(F)(F)F)cc1O ZINC001174539049 1051031422 /nfs/dbraw/zinc/03/14/22/1051031422.db2.gz ZKDDVGXQCKXADR-UHFFFAOYSA-N 0 3 347.134 4.042 20 10 EICDHN COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000183500149 1051139566 /nfs/dbraw/zinc/13/95/66/1051139566.db2.gz SCKMDOUSGXTYEI-CQSZACIVSA-N 0 3 329.440 4.038 20 10 EICDHN CCCCn1cc(CNCc2ccc(N(CC)CC)cc2)c(C)n1 ZINC000773411282 1051224482 /nfs/dbraw/zinc/22/44/82/1051224482.db2.gz YUOCHFWPAZFVHY-UHFFFAOYSA-N 0 3 328.504 4.128 20 10 EICDHN Cc1c(Cl)cccc1N1CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001181730768 1051288287 /nfs/dbraw/zinc/28/82/87/1051288287.db2.gz UEDTYRCXEZDATN-UHFFFAOYSA-N 0 3 348.849 4.205 20 10 EICDHN Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001181730768 1051288297 /nfs/dbraw/zinc/28/82/97/1051288297.db2.gz UEDTYRCXEZDATN-UHFFFAOYSA-N 0 3 348.849 4.205 20 10 EICDHN C[N@H+](CCc1ccncc1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183759829 1051364308 /nfs/dbraw/zinc/36/43/08/1051364308.db2.gz AMHAVMXXGHMAJO-UHFFFAOYSA-N 0 3 348.446 4.041 20 10 EICDHN C[N@@H+](CCc1ccncc1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183759829 1051364320 /nfs/dbraw/zinc/36/43/20/1051364320.db2.gz AMHAVMXXGHMAJO-UHFFFAOYSA-N 0 3 348.446 4.041 20 10 EICDHN FC[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321001 1051395728 /nfs/dbraw/zinc/39/57/28/1051395728.db2.gz CBQNOQLXNWAOMO-MRXNPFEDSA-N 0 3 330.369 4.011 20 10 EICDHN CCO[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000774499653 1051616146 /nfs/dbraw/zinc/61/61/46/1051616146.db2.gz XRGWMNJBGWUUNA-MZMPZRCHSA-N 0 3 329.415 4.447 20 10 EICDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccccc2OC(F)F)c1 ZINC000273440148 1051621785 /nfs/dbraw/zinc/62/17/85/1051621785.db2.gz YELLKTLTTHUBAV-NWDGAFQWSA-N 0 3 337.366 4.414 20 10 EICDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccccc2OC(F)F)c1 ZINC000273440150 1051622720 /nfs/dbraw/zinc/62/27/20/1051622720.db2.gz YELLKTLTTHUBAV-VXGBXAGGSA-N 0 3 337.366 4.414 20 10 EICDHN COc1ccc(C[C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC001182764272 1051691369 /nfs/dbraw/zinc/69/13/69/1051691369.db2.gz MIUVTLLGACAAIM-SFHVURJKSA-N 0 3 329.415 4.137 20 10 EICDHN COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC001182764272 1051691372 /nfs/dbraw/zinc/69/13/72/1051691372.db2.gz MIUVTLLGACAAIM-SFHVURJKSA-N 0 3 329.415 4.137 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000775526346 1051718456 /nfs/dbraw/zinc/71/84/56/1051718456.db2.gz QWOBOUXHOMPXAK-YJBOKZPZSA-N 0 3 343.467 4.329 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](C)Cc1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000775526343 1051718984 /nfs/dbraw/zinc/71/89/84/1051718984.db2.gz QWOBOUXHOMPXAK-CRAIPNDOSA-N 0 3 343.467 4.329 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl)c1ccccc1[O-] ZINC000775527985 1051719554 /nfs/dbraw/zinc/71/95/54/1051719554.db2.gz WZAOVJXNEHWZPG-GEWABHDNSA-N 0 3 337.822 4.348 20 10 EICDHN C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1[O-] ZINC001183355947 1051828411 /nfs/dbraw/zinc/82/84/11/1051828411.db2.gz ZGDPWBAIYBBYJK-OAGGEKHMSA-N 0 3 348.487 4.078 20 10 EICDHN C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1[O-] ZINC001183355945 1051828592 /nfs/dbraw/zinc/82/85/92/1051828592.db2.gz ZGDPWBAIYBBYJK-ARFHVFGLSA-N 0 3 348.487 4.078 20 10 EICDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183822751 1051909720 /nfs/dbraw/zinc/90/97/20/1051909720.db2.gz LVWJXSDCGWVJSC-DPDLHNOKSA-N 0 3 337.463 4.353 20 10 EICDHN Oc1cccc2c1[C@@H](NCc1cc(Br)ccc1F)CC2 ZINC000295906247 1052082588 /nfs/dbraw/zinc/08/25/88/1052082588.db2.gz IWRGSGYRDJMPEL-AWEZNQCLSA-N 0 3 336.204 4.071 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c([O-])c1 ZINC000184857039 1052266013 /nfs/dbraw/zinc/26/60/13/1052266013.db2.gz COAWETYSVYZKDC-AEFFLSMTSA-N 0 3 328.456 4.171 20 10 EICDHN CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000184896600 1052296271 /nfs/dbraw/zinc/29/62/71/1052296271.db2.gz RNJFXPJVFXGCOR-RNODOKPDSA-N 0 3 345.414 4.350 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cc(F)ccc1[O-] ZINC000185047788 1052378032 /nfs/dbraw/zinc/37/80/32/1052378032.db2.gz FQLVEHWSVJEVOE-HNNXBMFYSA-N 0 3 343.446 4.013 20 10 EICDHN C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1cc(F)ccc1[O-] ZINC000185721727 1052685668 /nfs/dbraw/zinc/68/56/68/1052685668.db2.gz VMPZDBZBJWEGEC-BDJLRTHQSA-N 0 3 331.412 4.130 20 10 EICDHN CC[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1[O-] ZINC000186106102 1052880925 /nfs/dbraw/zinc/88/09/25/1052880925.db2.gz OFPWXFGZDYSOPB-NRFANRHFSA-N 0 3 338.495 4.140 20 10 EICDHN C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1[O-] ZINC000325250798 1053036315 /nfs/dbraw/zinc/03/63/15/1053036315.db2.gz VDOUIIOBFPJZEF-DNVCBOLYSA-N 0 3 328.431 4.019 20 10 EICDHN CCN(C)c1ccc([C@H](C)N[C@@H](COC)c2cccc(OC)c2)cc1 ZINC000850515008 1053273863 /nfs/dbraw/zinc/27/38/63/1053273863.db2.gz TUWYZCCWJUYRPC-KKSFZXQISA-N 0 3 342.483 4.190 20 10 EICDHN CC[C@H](N[C@@H](COC)c1cccc(OC)c1)c1ccc(N(C)C)cc1 ZINC000850515282 1053275127 /nfs/dbraw/zinc/27/51/27/1053275127.db2.gz VKHMTQJIIPLIIS-SFTDATJTSA-N 0 3 342.483 4.190 20 10 EICDHN COC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)c1cccc(OC)c1 ZINC000850514198 1053275220 /nfs/dbraw/zinc/27/52/20/1053275220.db2.gz LJWVANSQHQVQII-ZLIFDBKOSA-N 0 3 345.414 4.066 20 10 EICDHN CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C)c1ccc(C)cc1[O-] ZINC000850557347 1053313473 /nfs/dbraw/zinc/31/34/73/1053313473.db2.gz WPWAURKMGFUKBW-TYPHKJRUSA-N 0 3 327.468 4.500 20 10 EICDHN COc1cc(Br)cc([C@H](C)[NH2+]C2CC(C)(C)C2)c1[O-] ZINC000850575591 1053328695 /nfs/dbraw/zinc/32/86/95/1053328695.db2.gz ADUJAJAETZGLNI-VIFPVBQESA-N 0 3 328.250 4.003 20 10 EICDHN CC[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(C)cc1[O-] ZINC000794802847 1053387442 /nfs/dbraw/zinc/38/74/42/1053387442.db2.gz GUTMCBRZSJTEOP-HXUWFJFHSA-N 0 3 335.451 4.170 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccc(C)cc1[O-] ZINC000794804964 1053391329 /nfs/dbraw/zinc/39/13/29/1053391329.db2.gz OKCRUJWUEQDBAN-SFHVURJKSA-N 0 3 326.440 4.125 20 10 EICDHN CC[C@@H]([NH2+]CCc1ccc(OC)cc1OC)c1ccc(C)cc1[O-] ZINC000794804515 1053395681 /nfs/dbraw/zinc/39/56/81/1053395681.db2.gz NKGQOJPLLISHPC-GOSISDBHSA-N 0 3 329.440 4.001 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC(C)C)c1)c1ccc(C)cc1[O-] ZINC000794803658 1053398734 /nfs/dbraw/zinc/39/87/34/1053398734.db2.gz RFGIVNIRWWDCPX-PZJWPPBQSA-N 0 3 343.467 4.262 20 10 EICDHN CC[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794805668 1053408444 /nfs/dbraw/zinc/40/84/44/1053408444.db2.gz YKBSQEXBELIKPA-VQTJNVASSA-N 0 3 349.478 4.459 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000794807818 1053414935 /nfs/dbraw/zinc/41/49/35/1053414935.db2.gz LVSPPRYKRQFTAM-CRAIPNDOSA-N 0 3 343.467 4.390 20 10 EICDHN CC[C@H]([NH2+][C@H](CCC(=O)OC)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794811411 1053416419 /nfs/dbraw/zinc/41/64/19/1053416419.db2.gz QZASKXFBCOGZEV-RBUKOAKNSA-N 0 3 341.451 4.436 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccc(C)cc1[O-] ZINC000794807804 1053416525 /nfs/dbraw/zinc/41/65/25/1053416525.db2.gz LSZIZVQMCRHNPB-ZWKOTPCHSA-N 0 3 348.437 4.322 20 10 EICDHN CC[C@H]([NH2+]CCc1c[nH]c2cccc(OC)c12)c1ccc(C)cc1[O-] ZINC000794813533 1053420445 /nfs/dbraw/zinc/42/04/45/1053420445.db2.gz AGKLSZFCNPESMZ-KRWDZBQOSA-N 0 3 338.451 4.474 20 10 EICDHN C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccccc1[O-] ZINC000109769996 1053422458 /nfs/dbraw/zinc/42/24/58/1053422458.db2.gz UQTRWLCTTXLFGJ-UHFFFAOYSA-N 0 3 346.430 4.277 20 10 EICDHN C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccccc1[O-] ZINC000109769996 1053422464 /nfs/dbraw/zinc/42/24/64/1053422464.db2.gz UQTRWLCTTXLFGJ-UHFFFAOYSA-N 0 3 346.430 4.277 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1[O-] ZINC000794814635 1053423708 /nfs/dbraw/zinc/42/37/08/1053423708.db2.gz HGDVVMLMJCXZMV-DLBZAZTESA-N 0 3 348.487 4.045 20 10 EICDHN CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794811937 1053428367 /nfs/dbraw/zinc/42/83/67/1053428367.db2.gz ALKXUCJUYCKQTC-PBEJRMEISA-N 0 3 326.484 4.433 20 10 EICDHN CCC(=O)Nc1cccc(CN[C@H](C)c2ccc(N(C)CC)cc2)c1 ZINC000765049706 1053430308 /nfs/dbraw/zinc/43/03/08/1053430308.db2.gz RHOAMDUSMWBOJS-MRXNPFEDSA-N 0 3 339.483 4.342 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(C)cc1[O-] ZINC000794828980 1053439255 /nfs/dbraw/zinc/43/92/55/1053439255.db2.gz QCOSDNPEYOAHEQ-SJLPKXTDSA-N 0 3 337.822 4.267 20 10 EICDHN Cc1cccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1O ZINC000775665909 1053441314 /nfs/dbraw/zinc/44/13/14/1053441314.db2.gz NKYPFFMWLPFECP-IBGZPJMESA-N 0 3 329.415 4.021 20 10 EICDHN CC[C@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](CC)CO1 ZINC001195862481 1053510418 /nfs/dbraw/zinc/51/04/18/1053510418.db2.gz MCNAKODYHJMAGU-PMACEKPBSA-N 0 3 330.516 4.375 20 10 EICDHN Cc1c(Cl)cccc1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000765371122 1053519120 /nfs/dbraw/zinc/51/91/20/1053519120.db2.gz NWQRJWUYILROJB-AWEZNQCLSA-N 0 3 345.874 4.004 20 10 EICDHN C[C@H](N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000765435042 1053545764 /nfs/dbraw/zinc/54/57/64/1053545764.db2.gz AHXIEDFTBDOQQG-ONGXBYRLSA-N 0 3 342.458 4.463 20 10 EICDHN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(N(C)C)c(F)c1 ZINC000765476585 1053562395 /nfs/dbraw/zinc/56/23/95/1053562395.db2.gz XYQCXXSBGQPGHG-GOSISDBHSA-N 0 3 328.431 4.204 20 10 EICDHN CCOc1ccc(O)c(CN[C@@H](CC)c2cccc(OC)c2OC)c1 ZINC000865759450 1053585299 /nfs/dbraw/zinc/58/52/99/1053585299.db2.gz WJMYXSOYCNATBJ-KRWDZBQOSA-N 0 3 345.439 4.049 20 10 EICDHN C[C@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000853239987 1053655655 /nfs/dbraw/zinc/65/56/55/1053655655.db2.gz FDDRXGIEXVMCBE-TVQRCGJNSA-N 0 3 340.320 4.283 20 10 EICDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCc3ccccc3-n3ccnc32)c1 ZINC000853242354 1053657491 /nfs/dbraw/zinc/65/74/91/1053657491.db2.gz PMUKZNYNYWAPIT-QAPCUYQASA-N 0 3 333.435 4.224 20 10 EICDHN Cc1ccc([C@@H](C)N[C@@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000853240515 1053658277 /nfs/dbraw/zinc/65/82/77/1053658277.db2.gz HNPRCAABKFDQTD-CRAIPNDOSA-N 0 3 333.435 4.224 20 10 EICDHN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(N2CCCCC2)c(F)c1 ZINC000866633356 1053812728 /nfs/dbraw/zinc/81/27/28/1053812728.db2.gz UFQUTADXFICDCB-CRAIPNDOSA-N 0 3 342.462 4.198 20 10 EICDHN C[C@@H](N[C@H](C)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000112536834 1053837279 /nfs/dbraw/zinc/83/72/79/1053837279.db2.gz MWKYGIGVLJBVAG-HZPDHXFCSA-N 0 3 328.431 4.074 20 10 EICDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000112536833 1053837329 /nfs/dbraw/zinc/83/73/29/1053837329.db2.gz MWKYGIGVLJBVAG-JKSUJKDBSA-N 0 3 328.431 4.074 20 10 EICDHN CCOc1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c([O-])c1 ZINC000776817919 1053945519 /nfs/dbraw/zinc/94/55/19/1053945519.db2.gz ZLEKMZOUQRYVNV-MRXNPFEDSA-N 0 3 339.357 4.227 20 10 EICDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000122727109 1054028210 /nfs/dbraw/zinc/02/82/10/1054028210.db2.gz BMUJOXRTYRCZDG-HNNXBMFYSA-N 0 3 327.428 4.128 20 10 EICDHN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000775837862 1054118242 /nfs/dbraw/zinc/11/82/42/1054118242.db2.gz UWIUTOYKMGYYHS-AWEZNQCLSA-N 0 3 345.874 4.004 20 10 EICDHN COc1ccc(O)c(CNCc2ccc(-c3ccc(F)cc3C)o2)c1 ZINC000115618530 1054365335 /nfs/dbraw/zinc/36/53/35/1054365335.db2.gz DLYPHYMDQMJKJZ-UHFFFAOYSA-N 0 3 341.382 4.398 20 10 EICDHN CCCOc1ccc(CNCc2ccc(N(C)C)cc2C)cc1OC ZINC000115629177 1054366686 /nfs/dbraw/zinc/36/66/86/1054366686.db2.gz CMOLFMDXMILQTO-UHFFFAOYSA-N 0 3 342.483 4.148 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000872131190 1054406564 /nfs/dbraw/zinc/40/65/64/1054406564.db2.gz XINWHILDBLPXIT-ZJUUUORDSA-N 0 3 328.309 4.357 20 10 EICDHN CC(C)C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCc2cccnc21 ZINC000775993895 1054433344 /nfs/dbraw/zinc/43/33/44/1054433344.db2.gz HICPVVKCQYSABY-SFHVURJKSA-N 0 3 328.431 4.462 20 10 EICDHN CC(C)C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCc2cccnc21 ZINC000775993895 1054433353 /nfs/dbraw/zinc/43/33/53/1054433353.db2.gz HICPVVKCQYSABY-SFHVURJKSA-N 0 3 328.431 4.462 20 10 EICDHN Cc1ccc(O)c(CNCc2cc(C)c(F)cc2Br)c1 ZINC000858239107 1054445523 /nfs/dbraw/zinc/44/55/23/1054445523.db2.gz JGPZFJJJMAFQMP-UHFFFAOYSA-N 0 3 338.220 4.200 20 10 EICDHN COc1cccc(O)c1CNCc1cccc(OCc2ccccc2)c1 ZINC000776015726 1054449171 /nfs/dbraw/zinc/44/91/71/1054449171.db2.gz NTULYKWCKGTLAU-UHFFFAOYSA-N 0 3 349.430 4.270 20 10 EICDHN COc1cccc([O-])c1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000776015726 1054449174 /nfs/dbraw/zinc/44/91/74/1054449174.db2.gz NTULYKWCKGTLAU-UHFFFAOYSA-N 0 3 349.430 4.270 20 10 EICDHN CCCOc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000873098383 1054487156 /nfs/dbraw/zinc/48/71/56/1054487156.db2.gz PIUKYNYFWJCDAL-UPCLLVRISA-N 0 3 345.508 4.372 20 10 EICDHN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCCc2scnc21 ZINC000858425007 1054487486 /nfs/dbraw/zinc/48/74/86/1054487486.db2.gz AWAVCKLBQXIHJW-WMLDXEAASA-N 0 3 329.513 4.116 20 10 EICDHN Cc1ccc(C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)c([O-])c1 ZINC000876921814 1054984026 /nfs/dbraw/zinc/98/40/26/1054984026.db2.gz SRISCDRQZFXWNW-UHFFFAOYSA-N 0 3 339.357 4.069 20 10 EICDHN C[C@@H](NCc1ccc2ccc(F)c(F)c2n1)c1ccc(N(C)C)cc1 ZINC000877418812 1055048065 /nfs/dbraw/zinc/04/80/65/1055048065.db2.gz HJKFZGUODGVNNK-CYBMUJFWSA-N 0 3 341.405 4.430 20 10 EICDHN C[C@H](NCc1c(Cl)cccc1N1CCCC1)c1ccccc1O ZINC000877757417 1055114769 /nfs/dbraw/zinc/11/47/69/1055114769.db2.gz ZRAIMIGFTCOKFK-AWEZNQCLSA-N 0 3 330.859 4.497 20 10 EICDHN COc1ccc(CN[C@@H](C)c2ccccc2O)c(Br)c1 ZINC000877758367 1055116925 /nfs/dbraw/zinc/11/69/25/1055116925.db2.gz WKBBXOCSLHNYJA-NSHDSACASA-N 0 3 336.229 4.014 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001203556569 1055199380 /nfs/dbraw/zinc/19/93/80/1055199380.db2.gz UMAOEUNJCTWKTK-AWEZNQCLSA-N 0 3 332.241 4.144 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001203556569 1055199387 /nfs/dbraw/zinc/19/93/87/1055199387.db2.gz UMAOEUNJCTWKTK-AWEZNQCLSA-N 0 3 332.241 4.144 20 10 EICDHN Cc1ccc(O)c([C@@H](C)Nc2cccc(CN3CCSCC3)c2)c1 ZINC000186342886 1055370965 /nfs/dbraw/zinc/37/09/65/1055370965.db2.gz TYDURJQILOAWGR-MRXNPFEDSA-N 0 3 342.508 4.423 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)c2c1c(F)ccc2[O-] ZINC000765819720 1055644009 /nfs/dbraw/zinc/64/40/09/1055644009.db2.gz WNNGFLAMBKPJJP-VWCVUJCZSA-N 0 3 349.833 4.230 20 10 EICDHN C[C@H](NCCCSc1nccs1)c1nc2c(s1)CCCC2 ZINC000091726498 1056751415 /nfs/dbraw/zinc/75/14/15/1056751415.db2.gz JQVDQRZNFMQDOU-NSHDSACASA-N 0 3 339.555 4.311 20 10 EICDHN Cc1ccccc1[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000742163581 1058527081 /nfs/dbraw/zinc/52/70/81/1058527081.db2.gz SPBGYVWAMGTCQY-QFIPXVFZSA-N 0 3 333.431 4.427 20 10 EICDHN Cc1ccccc1[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000742163581 1058527095 /nfs/dbraw/zinc/52/70/95/1058527095.db2.gz SPBGYVWAMGTCQY-QFIPXVFZSA-N 0 3 333.431 4.427 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCc3cccs3)c2c1 ZINC000743382762 1058963007 /nfs/dbraw/zinc/96/30/07/1058963007.db2.gz SYRSCWKTGSEVQX-UHFFFAOYSA-N 0 3 327.449 4.290 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCc3cccs3)c2c1 ZINC000743382762 1058963034 /nfs/dbraw/zinc/96/30/34/1058963034.db2.gz SYRSCWKTGSEVQX-UHFFFAOYSA-N 0 3 327.449 4.290 20 10 EICDHN CN(C)c1ccccc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000743839416 1059140521 /nfs/dbraw/zinc/14/05/21/1059140521.db2.gz WAJPRYUQDAVFBY-UHFFFAOYSA-N 0 3 337.511 4.375 20 10 EICDHN C[C@H]([NH2+]C1CCC(OC(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC001169280520 1060735170 /nfs/dbraw/zinc/73/51/70/1060735170.db2.gz QXGZXEUOKWPDCR-ZLPCBKJTSA-N 0 3 339.435 4.211 20 10 EICDHN CCCCN(CC(=O)N(C(C)C)C1CCCC1)Cc1ccccc1O ZINC001169754337 1060942737 /nfs/dbraw/zinc/94/27/37/1060942737.db2.gz KKGNFPVRBSPJBY-UHFFFAOYSA-N 0 3 346.515 4.174 20 10 EICDHN Cn1ccnc1-c1cccc(C[NH2+]Cc2c([O-])ccc3ccccc32)c1 ZINC000360056470 1032238031 /nfs/dbraw/zinc/23/80/31/1032238031.db2.gz IWIXBJYLZKLAFP-UHFFFAOYSA-N 0 3 343.430 4.236 20 10 EICDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000179884942 1032576558 /nfs/dbraw/zinc/57/65/58/1032576558.db2.gz IKBJCPMQPGUKOF-UHFFFAOYSA-N 0 3 326.371 4.052 20 10 EICDHN Cc1nc2ccc(Nc3ccccc3C(=O)c3ccncc3)cc2[nH]1 ZINC001213077416 1032776961 /nfs/dbraw/zinc/77/69/61/1032776961.db2.gz WJHPPMQSZUUOOH-UHFFFAOYSA-N 0 3 328.375 4.241 20 10 EICDHN COc1cc([C@H](C)[NH2+]Cc2ccccc2[O-])ccc1OCC(C)C ZINC000237279332 1032855203 /nfs/dbraw/zinc/85/52/03/1032855203.db2.gz DRMOXTOGBQINKL-HNNXBMFYSA-N 0 3 329.440 4.286 20 10 EICDHN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)c2ccccc2[O-])c1 ZINC000155194644 1020336939 /nfs/dbraw/zinc/33/69/39/1020336939.db2.gz YCYYUSJREFYLOG-BEFAXECRSA-N 0 3 340.467 4.161 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)c1ccccc1[O-] ZINC000155304522 1020459430 /nfs/dbraw/zinc/45/94/30/1020459430.db2.gz FNKHJMJYBFFMMO-GOSISDBHSA-N 0 3 339.414 4.266 20 10 EICDHN CCC(CC)[N@H+](CCOC)Cc1cc(Br)cc(C)c1[O-] ZINC000167138018 1021761601 /nfs/dbraw/zinc/76/16/01/1021761601.db2.gz ZIXPIKARQGOGCR-UHFFFAOYSA-N 0 3 344.293 4.100 20 10 EICDHN CCC(CC)[N@@H+](CCOC)Cc1cc(Br)cc(C)c1[O-] ZINC000167138018 1021761612 /nfs/dbraw/zinc/76/16/12/1021761612.db2.gz ZIXPIKARQGOGCR-UHFFFAOYSA-N 0 3 344.293 4.100 20 10 EICDHN COC(=O)CC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000180670448 1022778093 /nfs/dbraw/zinc/77/80/93/1022778093.db2.gz LYLJWQOJMKUNNS-UZLBHIALSA-N 0 3 340.467 4.098 20 10 EICDHN Cc1ccccc1CN1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185053337 1023000241 /nfs/dbraw/zinc/00/02/41/1023000241.db2.gz WZALVANMABCBGX-MRXNPFEDSA-N 0 3 342.458 4.155 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1)c1ccccc1[O-] ZINC000156345534 1023583336 /nfs/dbraw/zinc/58/33/36/1023583336.db2.gz NBVUNGDCINQORV-IEBWSBKVSA-N 0 3 341.451 4.109 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1)c1ccccc1[O-] ZINC000156345653 1023583409 /nfs/dbraw/zinc/58/34/09/1023583409.db2.gz NBVUNGDCINQORV-HKUYNNGSSA-N 0 3 341.451 4.109 20 10 EICDHN CC[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccccc1[O-] ZINC000156429519 1023852706 /nfs/dbraw/zinc/85/27/06/1023852706.db2.gz IXXDLHIPZJHHJJ-SFHVURJKSA-N 0 3 340.398 4.470 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178229065 1023853776 /nfs/dbraw/zinc/85/37/76/1023853776.db2.gz UPJMLVGOFGMGQB-HNNXBMFYSA-N 0 3 327.428 4.292 20 10 EICDHN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)n[nH]1 ZINC000277070932 1025020694 /nfs/dbraw/zinc/02/06/94/1025020694.db2.gz DVNGDOSOFXLMCQ-MJBXVCDLSA-N 0 3 342.487 4.314 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000157045549 1025786235 /nfs/dbraw/zinc/78/62/35/1025786235.db2.gz QEVFMYKJUMGJJV-ZIFCJYIRSA-N 0 3 333.378 4.241 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(C)cc1[O-] ZINC000375659465 1025897831 /nfs/dbraw/zinc/89/78/31/1025897831.db2.gz WNAFVRVPRSPLHD-HXUWFJFHSA-N 0 3 335.451 4.342 20 10 EICDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(Cl)nc1 ZINC000179107995 1027791337 /nfs/dbraw/zinc/79/13/37/1027791337.db2.gz APJXIQRBBSFLNA-AWEZNQCLSA-N 0 3 347.915 4.139 20 10 EICDHN COc1ccc(CN(C)Cc2cc(C(C)(C)C)cc(O)c2O)cc1C ZINC000728559748 1028424638 /nfs/dbraw/zinc/42/46/38/1028424638.db2.gz HTUMRWGGARJKFD-UHFFFAOYSA-N 0 3 343.467 4.344 20 10 EICDHN CCOc1ccc(CNCc2c(C)c3ccccc3n2C)cc1OC ZINC000475189123 1029353054 /nfs/dbraw/zinc/35/30/54/1029353054.db2.gz FBGNVAYVOPUTGE-UHFFFAOYSA-N 0 3 338.451 4.184 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000184811964 1030093349 /nfs/dbraw/zinc/09/33/49/1030093349.db2.gz GJGGTWXUDHXPNQ-QFIPXVFZSA-N 0 3 331.415 4.177 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000184811964 1030093367 /nfs/dbraw/zinc/09/33/67/1030093367.db2.gz GJGGTWXUDHXPNQ-QFIPXVFZSA-N 0 3 331.415 4.177 20 10 EICDHN Cc1cccc(N2CCC([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])CC2)n1 ZINC000185477579 1030157428 /nfs/dbraw/zinc/15/74/28/1030157428.db2.gz ZJOMMGIMRLAAGV-AWEZNQCLSA-N 0 3 345.874 4.069 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1-n1cccn1 ZINC000185742740 1030220752 /nfs/dbraw/zinc/22/07/52/1030220752.db2.gz JFXRJWFKLFBXJZ-KGLIPLIRSA-N 0 3 325.387 4.129 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c1[O-] ZINC000527962009 1031003373 /nfs/dbraw/zinc/00/33/73/1031003373.db2.gz LPPUHXNMFLERSN-GFCCVEGCSA-N 0 3 329.831 4.092 20 10 EICDHN C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000310905351 1031095196 /nfs/dbraw/zinc/09/51/96/1031095196.db2.gz BUFPZXDHOOSJSS-BQFCYCMXSA-N 0 3 342.458 4.093 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C)cc1[O-] ZINC000280038333 1035135686 /nfs/dbraw/zinc/13/56/86/1035135686.db2.gz IQLJEVGABRYGLN-BEFAXECRSA-N 0 3 336.439 4.083 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(C)cc1[O-] ZINC000280142172 1035177039 /nfs/dbraw/zinc/17/70/39/1035177039.db2.gz PRKSYMKLEHCCBM-SFHVURJKSA-N 0 3 339.414 4.266 20 10 EICDHN CCOc1cc(CN[C@H](C)c2ccc(N(C)CC)cc2)ccc1OC ZINC000168796786 1035746057 /nfs/dbraw/zinc/74/60/57/1035746057.db2.gz YNJSGCNSYGLADP-MRXNPFEDSA-N 0 3 342.483 4.401 20 10 EICDHN CCC[N@H+](Cc1ccccc1O)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761195217 1036021024 /nfs/dbraw/zinc/02/10/24/1036021024.db2.gz JOYQNSXEPHECAG-UHFFFAOYSA-N 0 3 335.831 4.172 20 10 EICDHN CCC[N@@H+](Cc1ccccc1O)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761195217 1036021043 /nfs/dbraw/zinc/02/10/43/1036021043.db2.gz JOYQNSXEPHECAG-UHFFFAOYSA-N 0 3 335.831 4.172 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000761202800 1036027684 /nfs/dbraw/zinc/02/76/84/1036027684.db2.gz MLLLYZNVUIWAJW-QGZVFWFLSA-N 0 3 346.858 4.131 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000761202800 1036027704 /nfs/dbraw/zinc/02/77/04/1036027704.db2.gz MLLLYZNVUIWAJW-QGZVFWFLSA-N 0 3 346.858 4.131 20 10 EICDHN COc1cc(Cl)cc(CN2CCC[C@@H](Nc3ccccc3)C2)c1O ZINC000761202800 1036027719 /nfs/dbraw/zinc/02/77/19/1036027719.db2.gz MLLLYZNVUIWAJW-QGZVFWFLSA-N 0 3 346.858 4.131 20 10 EICDHN COc1ccccc1CC(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761206686 1036034360 /nfs/dbraw/zinc/03/43/60/1036034360.db2.gz NKZFBWJUUKTUAX-UHFFFAOYSA-N 0 3 349.858 4.174 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c1[O-] ZINC000761207579 1036048629 /nfs/dbraw/zinc/04/86/29/1036048629.db2.gz PZWLPINNLLUPOM-UHFFFAOYSA-N 0 3 338.234 4.487 20 10 EICDHN COc1cc(Cl)cc(CNC2(c3ccc(Cl)cc3)CC2)c1O ZINC000761207579 1036048650 /nfs/dbraw/zinc/04/86/50/1036048650.db2.gz PZWLPINNLLUPOM-UHFFFAOYSA-N 0 3 338.234 4.487 20 10 EICDHN Cc1cc(C)c(O)c(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000164344036 1036069679 /nfs/dbraw/zinc/06/96/79/1036069679.db2.gz KQYRWJLMQZAAKQ-UHFFFAOYSA-N 0 3 341.295 4.326 20 10 EICDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CC1(Cl)Cl ZINC000838528315 1036846919 /nfs/dbraw/zinc/84/69/19/1036846919.db2.gz CUWCWGSGDYPXOP-HNNXBMFYSA-N 0 3 327.299 4.303 20 10 EICDHN C[C@H](NC1(c2ccccc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271962865 1037065139 /nfs/dbraw/zinc/06/51/39/1037065139.db2.gz GQCSVXVEXHSKHV-INIZCTEOSA-N 0 3 340.442 4.002 20 10 EICDHN C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc2ccccc2c1[O-] ZINC000760899507 1037650534 /nfs/dbraw/zinc/65/05/34/1037650534.db2.gz ZCQDZFCLKODIQG-MRXNPFEDSA-N 0 3 326.484 4.318 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc(Br)s2)c([O-])c1 ZINC000230659469 1038224692 /nfs/dbraw/zinc/22/46/92/1038224692.db2.gz LTEFXRHVTDWFQK-LLVKDONJSA-N 0 3 340.286 4.418 20 10 EICDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC(C(F)(F)F)CC2)c1 ZINC000173418227 1038322624 /nfs/dbraw/zinc/32/26/24/1038322624.db2.gz IMLWCTOQGHSIRH-UHFFFAOYSA-N 0 3 331.378 4.170 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000185517526 1043089048 /nfs/dbraw/zinc/08/90/48/1043089048.db2.gz CPHZFHZGYDUMAV-QQFBHYJXSA-N 0 3 348.487 4.187 20 10 EICDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922002965 1043292237 /nfs/dbraw/zinc/29/22/37/1043292237.db2.gz WQOQXWUVLHXEQF-CQSZACIVSA-N 0 3 327.472 4.122 20 10 EICDHN CC[C@H]([NH2+]C[C@](C)(COCc1ccccc1)OC)c1ccccc1[O-] ZINC000702796021 1044004206 /nfs/dbraw/zinc/00/42/06/1044004206.db2.gz MBQWKQIDGAWTKV-PZJWPPBQSA-N 0 3 343.467 4.055 20 10 EICDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(CCOCc3ccccc3)CC1)CC2 ZINC000702912072 1044038776 /nfs/dbraw/zinc/03/87/76/1044038776.db2.gz BFOZKHVUEWXKAT-IBGZPJMESA-N 0 3 337.463 4.356 20 10 EICDHN Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000734851493 1044702907 /nfs/dbraw/zinc/70/29/07/1044702907.db2.gz BQUMXIISXROZQU-HXUWFJFHSA-N 0 3 345.446 4.325 20 10 EICDHN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000186698924 1045138273 /nfs/dbraw/zinc/13/82/73/1045138273.db2.gz FFTOARCTLBNDRO-YWZLYKJASA-N 0 3 340.467 4.326 20 10 EICDHN CCCN(Cc1ccc(Oc2ccccc2)nn1)Cc1ccccc1O ZINC000766251534 1045196159 /nfs/dbraw/zinc/19/61/59/1045196159.db2.gz UPZHDHDFYHHGOD-UHFFFAOYSA-N 0 3 349.434 4.387 20 10 EICDHN Cc1cc(CN[C@@H]2CCCc3c2cnn3C)c(C)n1-c1cccc(C)c1 ZINC000915229777 1045202499 /nfs/dbraw/zinc/20/24/99/1045202499.db2.gz QIJXOCOEXRJQFO-OAQYLSRUSA-N 0 3 348.494 4.303 20 10 EICDHN Cc1c(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cccc1[N+](=O)[O-] ZINC000790696111 1045560719 /nfs/dbraw/zinc/56/07/19/1045560719.db2.gz RLPXITACCRPTNA-IINYFYTJSA-N 0 3 330.359 4.086 20 10 EICDHN CN(C)c1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)s1 ZINC000768134309 1045723257 /nfs/dbraw/zinc/72/32/57/1045723257.db2.gz SAWNGLGMFSVVRL-UHFFFAOYSA-N 0 3 345.512 4.250 20 10 EICDHN CN(C)c1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)s1 ZINC000768134309 1045723246 /nfs/dbraw/zinc/72/32/46/1045723246.db2.gz SAWNGLGMFSVVRL-UHFFFAOYSA-N 0 3 345.512 4.250 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cnn2ccccc12)C1CCCCC1 ZINC000768134787 1045724642 /nfs/dbraw/zinc/72/46/42/1045724642.db2.gz UUETVCGCOMFFBT-UHFFFAOYSA-N 0 3 335.451 4.375 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cnn2ccccc12)C1CCCCC1 ZINC000768134787 1045724628 /nfs/dbraw/zinc/72/46/28/1045724628.db2.gz UUETVCGCOMFFBT-UHFFFAOYSA-N 0 3 335.451 4.375 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@H]1C[C@H]1c1ccccc1)C[C@@H]1CCCO1 ZINC000768162528 1045728264 /nfs/dbraw/zinc/72/82/64/1045728264.db2.gz NXEMXSXSBBPKFP-HKBOAZHASA-N 0 3 337.463 4.177 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C[C@@H]1CCCO1 ZINC000768162528 1045728279 /nfs/dbraw/zinc/72/82/79/1045728279.db2.gz NXEMXSXSBBPKFP-HKBOAZHASA-N 0 3 337.463 4.177 20 10 EICDHN CC(C)N1CCC([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768231602 1045758854 /nfs/dbraw/zinc/75/88/54/1045758854.db2.gz UZJASKAPXLWVAA-UHFFFAOYSA-N 0 3 338.495 4.364 20 10 EICDHN CC(C)N1CCC([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768231602 1045758871 /nfs/dbraw/zinc/75/88/71/1045758871.db2.gz UZJASKAPXLWVAA-UHFFFAOYSA-N 0 3 338.495 4.364 20 10 EICDHN COc1cc(O)c(CN2CCC[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000768440896 1045807865 /nfs/dbraw/zinc/80/78/65/1045807865.db2.gz HMDOAKXQJABUKJ-MRXNPFEDSA-N 0 3 347.842 4.400 20 10 EICDHN COc1cc(Br)cc(CN2C3CCCC2CCC3)c1O ZINC000769499179 1045995997 /nfs/dbraw/zinc/99/59/97/1045995997.db2.gz OKXTZVJCEYIPMN-UHFFFAOYSA-N 0 3 340.261 4.070 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769519339 1046006038 /nfs/dbraw/zinc/00/60/38/1046006038.db2.gz REXADKGOQJKASF-FQEVSTJZSA-N 0 3 337.463 4.308 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769519339 1046006050 /nfs/dbraw/zinc/00/60/50/1046006050.db2.gz REXADKGOQJKASF-FQEVSTJZSA-N 0 3 337.463 4.308 20 10 EICDHN CCOc1cccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c1O ZINC000769532686 1046010799 /nfs/dbraw/zinc/01/07/99/1046010799.db2.gz JZUCXMYQNGXZEL-OAHLLOKOSA-N 0 3 347.842 4.098 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccccc2N(C)C)cc1 ZINC000769683440 1046037268 /nfs/dbraw/zinc/03/72/68/1046037268.db2.gz DWWHZYDXLNUJHD-KRWDZBQOSA-N 0 3 325.500 4.450 20 10 EICDHN COc1cccc(C=C2CCN(Cc3c(O)cccc3OC)CC2)c1 ZINC000770353970 1046190354 /nfs/dbraw/zinc/19/03/54/1046190354.db2.gz ORIJNJABCQXZNZ-UHFFFAOYSA-N 0 3 339.435 4.089 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)c([O-])c1 ZINC000793386497 1046229932 /nfs/dbraw/zinc/22/99/32/1046229932.db2.gz UBRIXSZOMPWXKK-UHFFFAOYSA-N 0 3 345.748 4.363 20 10 EICDHN COc1ccc(CNCc2ccc(-c3c(F)cccc3F)o2)c(O)c1 ZINC000793389490 1046231896 /nfs/dbraw/zinc/23/18/96/1046231896.db2.gz ZOLYUSVOWFJQEA-UHFFFAOYSA-N 0 3 345.345 4.229 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)c([O-])c1 ZINC000793389490 1046231913 /nfs/dbraw/zinc/23/19/13/1046231913.db2.gz ZOLYUSVOWFJQEA-UHFFFAOYSA-N 0 3 345.345 4.229 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1C)N(C)C)c1ccccc1[O-] ZINC000785571935 1046722441 /nfs/dbraw/zinc/72/24/41/1046722441.db2.gz CSXCOYISSYOBLK-LRQRDZAKSA-N 0 3 326.484 4.433 20 10 EICDHN Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-])N(C)C ZINC000785574121 1046722653 /nfs/dbraw/zinc/72/26/53/1046722653.db2.gz YJGMFWIRPOIEHL-SIFCLUCFSA-N 0 3 330.447 4.182 20 10 EICDHN Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-])N(C)C ZINC000785574122 1046723232 /nfs/dbraw/zinc/72/32/32/1046723232.db2.gz YJGMFWIRPOIEHL-SXGZJXTBSA-N 0 3 330.447 4.182 20 10 EICDHN Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000786164061 1046814170 /nfs/dbraw/zinc/81/41/70/1046814170.db2.gz RTKYKTZFEQQBFT-JOCHJYFZSA-N 0 3 347.458 4.061 20 10 EICDHN COC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000786915991 1046881299 /nfs/dbraw/zinc/88/12/99/1046881299.db2.gz GJHWHLJIMSASIR-AUUYWEPGSA-N 0 3 332.875 4.444 20 10 EICDHN Oc1ccccc1CN(Cc1cc(Cl)cs1)C[C@@H]1CCCO1 ZINC000787047596 1046899798 /nfs/dbraw/zinc/89/97/98/1046899798.db2.gz AMSNRFJUPAMMOA-HNNXBMFYSA-N 0 3 337.872 4.288 20 10 EICDHN CCOc1ccc(C[N@@H+](C)[C@H](COC)c2ccc(Cl)cc2)c([O-])c1 ZINC000787331462 1046981070 /nfs/dbraw/zinc/98/10/70/1046981070.db2.gz JZBLVGKDILOWBC-GOSISDBHSA-N 0 3 349.858 4.264 20 10 EICDHN CCOc1ccc(C[N@H+](C)[C@H](COC)c2ccc(Cl)cc2)c([O-])c1 ZINC000787331462 1046981046 /nfs/dbraw/zinc/98/10/46/1046981046.db2.gz JZBLVGKDILOWBC-GOSISDBHSA-N 0 3 349.858 4.264 20 10 EICDHN CCOc1ccc(CN(C)[C@H](COC)c2ccc(Cl)cc2)c(O)c1 ZINC000787331462 1046981100 /nfs/dbraw/zinc/98/11/00/1046981100.db2.gz JZBLVGKDILOWBC-GOSISDBHSA-N 0 3 349.858 4.264 20 10 EICDHN CCN(CC)c1ccc(CN[C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806130686 1047154690 /nfs/dbraw/zinc/15/46/90/1047154690.db2.gz CQKILKSZVSBHOU-KRWDZBQOSA-N 0 3 329.875 4.358 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806130687 1047155461 /nfs/dbraw/zinc/15/54/61/1047155461.db2.gz CQKILKSZVSBHOU-QGZVFWFLSA-N 0 3 329.875 4.358 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCSC(C)(C)CC3)c2c1 ZINC000788376263 1047179843 /nfs/dbraw/zinc/17/98/43/1047179843.db2.gz IIHNPVFJRJZFHI-UHFFFAOYSA-N 0 3 331.481 4.272 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCSC(C)(C)CC3)c2c1 ZINC000788376263 1047179854 /nfs/dbraw/zinc/17/98/54/1047179854.db2.gz IIHNPVFJRJZFHI-UHFFFAOYSA-N 0 3 331.481 4.272 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000806181564 1047192916 /nfs/dbraw/zinc/19/29/16/1047192916.db2.gz YBRYFVVKFDIHLT-AXAPSJFSSA-N 0 3 349.833 4.099 20 10 EICDHN COc1ccc(CCC[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])cc1OC ZINC000788563012 1047225398 /nfs/dbraw/zinc/22/53/98/1047225398.db2.gz IYAKESRTFHEOFF-MRXNPFEDSA-N 0 3 343.467 4.310 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1[O-] ZINC000814177763 1047867279 /nfs/dbraw/zinc/86/72/79/1047867279.db2.gz OISKXGAHRIXVOF-GTNSWQLSSA-N 0 3 337.872 4.208 20 10 EICDHN COc1cc(Br)cc(C[NH2+]C(C)(C)C(C)(C)C)c1[O-] ZINC000814301435 1047971305 /nfs/dbraw/zinc/97/13/05/1047971305.db2.gz ZTICAOJHDSKOBW-UHFFFAOYSA-N 0 3 330.266 4.078 20 10 EICDHN COCC[C@H]([NH2+]Cc1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000824959172 1048004876 /nfs/dbraw/zinc/00/48/76/1048004876.db2.gz BYLHGSOGKCYCCV-INIZCTEOSA-N 0 3 339.357 4.278 20 10 EICDHN COc1ccc(OC)c(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808673336 1048045112 /nfs/dbraw/zinc/04/51/12/1048045112.db2.gz NSQCDUGUWJDORY-LBPRGKRZSA-N 0 3 335.831 4.222 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c1[O-] ZINC000808707758 1048052585 /nfs/dbraw/zinc/05/25/85/1048052585.db2.gz XZJGIXWVGHCUDG-DEYYWGMASA-N 0 3 333.859 4.169 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1[O-] ZINC000808715513 1048060967 /nfs/dbraw/zinc/06/09/67/1048060967.db2.gz VBOZYUWSQVTJHW-ZDUSSCGKSA-N 0 3 333.859 4.432 20 10 EICDHN Oc1ccccc1CN(CC[C@H](O)c1ccccc1)Cc1ccco1 ZINC000808736653 1048096975 /nfs/dbraw/zinc/09/69/75/1048096975.db2.gz XTQMETAJBRSAIA-NRFANRHFSA-N 0 3 337.419 4.111 20 10 EICDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)C(C)(C)C ZINC000808742337 1048100066 /nfs/dbraw/zinc/10/00/66/1048100066.db2.gz PVSWWFDWRLOLAK-UZLBHIALSA-N 0 3 327.468 4.362 20 10 EICDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)C(C)(C)C ZINC000808742337 1048100074 /nfs/dbraw/zinc/10/00/74/1048100074.db2.gz PVSWWFDWRLOLAK-UZLBHIALSA-N 0 3 327.468 4.362 20 10 EICDHN COc1c(F)cc(CN(C)Cc2ccc(N(C)C)cc2)cc1Cl ZINC001143854277 1048248448 /nfs/dbraw/zinc/24/84/48/1048248448.db2.gz SAQKNMXLQAOJPZ-UHFFFAOYSA-N 0 3 336.838 4.186 20 10 EICDHN Cc1n[nH]cc1CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815557680 1048508008 /nfs/dbraw/zinc/50/80/08/1048508008.db2.gz AFJRHVPCCTYIMY-OAQYLSRUSA-N 0 3 349.478 4.320 20 10 EICDHN CC(C)(CO)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815582966 1048521039 /nfs/dbraw/zinc/52/10/39/1048521039.db2.gz UDWMBWINRCAUEU-FQEVSTJZSA-N 0 3 341.495 4.454 20 10 EICDHN CC[C@@H](CCO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815587791 1048525293 /nfs/dbraw/zinc/52/52/93/1048525293.db2.gz TXRKWCSKPPDCHK-PXNSSMCTSA-N 0 3 327.468 4.064 20 10 EICDHN CN(C)C1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCC1 ZINC000815618510 1048543815 /nfs/dbraw/zinc/54/38/15/1048543815.db2.gz NGHQVRVFXIZYFY-HXUWFJFHSA-N 0 3 338.495 4.140 20 10 EICDHN CC(C)(C)OCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815604573 1048556168 /nfs/dbraw/zinc/55/61/68/1048556168.db2.gz TXDYBIDVJQALKO-IBGZPJMESA-N 0 3 327.468 4.471 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOC1CCC1 ZINC000815606872 1048557118 /nfs/dbraw/zinc/55/71/18/1048557118.db2.gz JLBCRSPFZYZBIS-HXUWFJFHSA-N 0 3 325.452 4.225 20 10 EICDHN CSc1ccc([C@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])N(C)C)cc1 ZINC000815660095 1048561614 /nfs/dbraw/zinc/56/16/14/1048561614.db2.gz RHCUQFMQUVJNKN-ACJLOTCBSA-N 0 3 348.487 4.207 20 10 EICDHN CN1CCCc2cc(CNCc3cscc3C(F)(F)F)ccc21 ZINC000810138986 1048642359 /nfs/dbraw/zinc/64/23/59/1048642359.db2.gz YTDICBUNNJDCOH-UHFFFAOYSA-N 0 3 340.414 4.439 20 10 EICDHN CCCN1CCC([NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000810208247 1048706183 /nfs/dbraw/zinc/70/61/83/1048706183.db2.gz VIOXQDVXIDFCPS-MRXNPFEDSA-N 0 3 344.421 4.326 20 10 EICDHN CCC[C@H](Cc1ccccc1)[N@H+](CCC)Cc1c([O-])cc(O)cc1O ZINC001144516204 1048710961 /nfs/dbraw/zinc/71/09/61/1048710961.db2.gz SYVCDJSUQHGGTP-QGZVFWFLSA-N 0 3 343.467 4.427 20 10 EICDHN CCC[C@H](Cc1ccccc1)[N@@H+](CCC)Cc1c([O-])cc(O)cc1O ZINC001144516204 1048710972 /nfs/dbraw/zinc/71/09/72/1048710972.db2.gz SYVCDJSUQHGGTP-QGZVFWFLSA-N 0 3 343.467 4.427 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)OCCc3sccc32)c2c1c(F)ccc2[O-] ZINC000810252789 1048729571 /nfs/dbraw/zinc/72/95/71/1048729571.db2.gz JGBQVMCONUEACJ-FRGNPEFRSA-N 0 3 347.455 4.219 20 10 EICDHN COc1ccc(O)c([C@H](C)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846051602 1048806893 /nfs/dbraw/zinc/80/68/93/1048806893.db2.gz HBJCACMIKWFTFK-SJCJKPOMSA-N 0 3 345.414 4.493 20 10 EICDHN CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])c2ccccc21 ZINC000846084200 1048810926 /nfs/dbraw/zinc/81/09/26/1048810926.db2.gz VOZNTPBBWXHNIX-ROUUACIJSA-N 0 3 339.435 4.052 20 10 EICDHN Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513119 1048822723 /nfs/dbraw/zinc/82/27/23/1048822723.db2.gz HHVKVYHUXCOAPR-NRFANRHFSA-N 0 3 333.431 4.427 20 10 EICDHN Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513119 1048822730 /nfs/dbraw/zinc/82/27/30/1048822730.db2.gz HHVKVYHUXCOAPR-NRFANRHFSA-N 0 3 333.431 4.427 20 10 EICDHN [O-]c1c(C[NH2+]Cc2ccccc2Cn2ccnc2)ccc2ccccc21 ZINC000816534117 1048825369 /nfs/dbraw/zinc/82/53/69/1048825369.db2.gz XGEANPFWBDCEKZ-UHFFFAOYSA-N 0 3 343.430 4.080 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCC1(CO)CCC1 ZINC000846209919 1048834374 /nfs/dbraw/zinc/83/43/74/1048834374.db2.gz IVMWGDODOGYZHN-FQEVSTJZSA-N 0 3 339.479 4.208 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816657407 1048848752 /nfs/dbraw/zinc/84/87/52/1048848752.db2.gz RBNMQDACWQXYIE-JOCHJYFZSA-N 0 3 349.474 4.450 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816657407 1048848759 /nfs/dbraw/zinc/84/87/59/1048848759.db2.gz RBNMQDACWQXYIE-JOCHJYFZSA-N 0 3 349.474 4.450 20 10 EICDHN Cc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cc(C)n1 ZINC000817590117 1049019651 /nfs/dbraw/zinc/01/96/51/1049019651.db2.gz TYUMSCLLICPUBG-ZDUSSCGKSA-N 0 3 349.272 4.326 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)c2c1c(F)ccc2[O-] ZINC000817968110 1049071704 /nfs/dbraw/zinc/07/17/04/1049071704.db2.gz PDCCCJVTRBPQAN-SSKCKEOISA-N 0 3 326.415 4.329 20 10 EICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c([O-])c1 ZINC000817975085 1049075354 /nfs/dbraw/zinc/07/53/54/1049075354.db2.gz IIZJCPDIGIMAHY-SUMWQHHRSA-N 0 3 326.440 4.236 20 10 EICDHN C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817984816 1049077433 /nfs/dbraw/zinc/07/74/33/1049077433.db2.gz ANNMXHGZXNTRDA-GHMZBOCLSA-N 0 3 329.271 4.024 20 10 EICDHN CCN(CC)c1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000811519457 1049108484 /nfs/dbraw/zinc/10/84/84/1049108484.db2.gz XWTNQVGETYERRW-WOJBJXKFSA-N 0 3 328.500 4.066 20 10 EICDHN COc1cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000811781163 1049264142 /nfs/dbraw/zinc/26/41/42/1049264142.db2.gz ZFQIASWOEGPDNC-IEBWSBKVSA-N 0 3 347.499 4.088 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@H]1CCCO1 ZINC000812829845 1049601723 /nfs/dbraw/zinc/60/17/23/1049601723.db2.gz NXEMXSXSBBPKFP-HBMCJLEFSA-N 0 3 337.463 4.177 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@H]1CCCO1 ZINC000812829845 1049601735 /nfs/dbraw/zinc/60/17/35/1049601735.db2.gz NXEMXSXSBBPKFP-HBMCJLEFSA-N 0 3 337.463 4.177 20 10 EICDHN C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC000179901997 1049787517 /nfs/dbraw/zinc/78/75/17/1049787517.db2.gz ZTAFPDQQAJRLFR-QFYYESIMSA-N 0 3 326.223 4.083 20 10 EICDHN C[C@H](N[C@H]1CCCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000181325907 1050098863 /nfs/dbraw/zinc/09/88/63/1050098863.db2.gz VRMNMOLDAKYVJV-LIRRHRJNSA-N 0 3 328.431 4.456 20 10 EICDHN CC(C)[C@@H](CNCc1cc(F)c(N(C)C)cc1F)Nc1ccccc1 ZINC001177186475 1050166978 /nfs/dbraw/zinc/16/69/78/1050166978.db2.gz QYRFUEWCGYOECE-LJQANCHMSA-N 0 3 347.453 4.257 20 10 EICDHN CN(C)c1ccc(/C=C\CN[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC001177483281 1050222258 /nfs/dbraw/zinc/22/22/58/1050222258.db2.gz LJOWZHASXHETTM-BOYDRYHPSA-N 0 3 340.442 4.408 20 10 EICDHN CN(C)C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC001178566309 1050508184 /nfs/dbraw/zinc/50/81/84/1050508184.db2.gz XGTLNXKBSLLCEP-LJQANCHMSA-N 0 3 344.886 4.058 20 10 EICDHN C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000775130571 1050576759 /nfs/dbraw/zinc/57/67/59/1050576759.db2.gz MCEUSIHWVBNTMV-LBPRGKRZSA-N 0 3 325.330 4.141 20 10 EICDHN COc1ccc(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)c([O-])c1OC ZINC001179892365 1050804670 /nfs/dbraw/zinc/80/46/70/1050804670.db2.gz DVHZGSOWSNSGIQ-GOSISDBHSA-N 0 3 329.440 4.239 20 10 EICDHN COc1ccc(C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)c([O-])c1OC ZINC001179892365 1050804682 /nfs/dbraw/zinc/80/46/82/1050804682.db2.gz DVHZGSOWSNSGIQ-GOSISDBHSA-N 0 3 329.440 4.239 20 10 EICDHN CCCOc1ccc2c(c1)CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001179980965 1050840154 /nfs/dbraw/zinc/84/01/54/1050840154.db2.gz VJAOCTVKFKUMEE-UHFFFAOYSA-N 0 3 333.378 4.018 20 10 EICDHN CCCOc1ccc2c(c1)CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001179980965 1050840162 /nfs/dbraw/zinc/84/01/62/1050840162.db2.gz VJAOCTVKFKUMEE-UHFFFAOYSA-N 0 3 333.378 4.018 20 10 EICDHN CCCOc1ccc2c(c1)CC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001179980965 1050840165 /nfs/dbraw/zinc/84/01/65/1050840165.db2.gz VJAOCTVKFKUMEE-UHFFFAOYSA-N 0 3 333.378 4.018 20 10 EICDHN COc1ccc(O)c(CN2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC001179963295 1050849780 /nfs/dbraw/zinc/84/97/80/1050849780.db2.gz YOOPGFJURSRRRC-UHFFFAOYSA-N 0 3 335.403 4.219 20 10 EICDHN Cc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c([O-])c1 ZINC001180189713 1050922846 /nfs/dbraw/zinc/92/28/46/1050922846.db2.gz UYNOOJCEUGSRTE-UHFFFAOYSA-N 0 3 349.434 4.130 20 10 EICDHN Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cnn1-c1ccc(F)cc1 ZINC000183466599 1051130910 /nfs/dbraw/zinc/13/09/10/1051130910.db2.gz LLOVQAHOFLFRLS-UONOGXRCSA-N 0 3 339.414 4.437 20 10 EICDHN C[C@H]([NH2+]CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183504334 1051137121 /nfs/dbraw/zinc/13/71/21/1051137121.db2.gz HPLHTCLQQNTFER-HOTGVXAUSA-N 0 3 348.487 4.080 20 10 EICDHN CCN1CC[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773431209 1051257338 /nfs/dbraw/zinc/25/73/38/1051257338.db2.gz MHKKZFPQDHOPAM-HKUYNNGSSA-N 0 3 348.849 4.110 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC000775416792 1051292424 /nfs/dbraw/zinc/29/24/24/1051292424.db2.gz XWZXJECCZYKMIC-DOTOQJQBSA-N 0 3 340.250 4.473 20 10 EICDHN Cc1ccc([C@@H]2CSCCN2Cc2ccc(N(C)C)cc2)cc1 ZINC001190954628 1051322435 /nfs/dbraw/zinc/32/24/35/1051322435.db2.gz KIUQQQSIIFGNMS-FQEVSTJZSA-N 0 3 326.509 4.351 20 10 EICDHN CC[C@H]([NH2+][C@H](C)CCc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000775496226 1051598937 /nfs/dbraw/zinc/59/89/37/1051598937.db2.gz IABWOCJOMMTNQV-PBHICJAKSA-N 0 3 327.424 4.183 20 10 EICDHN CCOc1c(OC)cc(C[NH2+][C@H](CC)c2ccccc2[O-])cc1OC ZINC000775499649 1051623677 /nfs/dbraw/zinc/62/36/77/1051623677.db2.gz LMQSQRURFBLUCJ-MRXNPFEDSA-N 0 3 345.439 4.049 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccccc1[O-] ZINC000775509144 1051648626 /nfs/dbraw/zinc/64/86/26/1051648626.db2.gz ZSXGZZJKYBTIDY-UYAOXDASSA-N 0 3 327.468 4.464 20 10 EICDHN COc1ccc(C[C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC001182764271 1051691046 /nfs/dbraw/zinc/69/10/46/1051691046.db2.gz MIUVTLLGACAAIM-GOSISDBHSA-N 0 3 329.415 4.137 20 10 EICDHN COc1ccc(C[C@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])cc1 ZINC001182764271 1051691047 /nfs/dbraw/zinc/69/10/47/1051691047.db2.gz MIUVTLLGACAAIM-GOSISDBHSA-N 0 3 329.415 4.137 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCCc1ccccc1)C[C@@H]1CCCO1 ZINC000071809386 1051699353 /nfs/dbraw/zinc/69/93/53/1051699353.db2.gz DTPZJTBYRFDKKF-FQEVSTJZSA-N 0 3 325.452 4.006 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCCc1ccccc1)C[C@@H]1CCCO1 ZINC000071809386 1051699360 /nfs/dbraw/zinc/69/93/60/1051699360.db2.gz DTPZJTBYRFDKKF-FQEVSTJZSA-N 0 3 325.452 4.006 20 10 EICDHN CC[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])[C@H](O)c1c(F)cccc1F ZINC000775524529 1051709620 /nfs/dbraw/zinc/70/96/20/1051709620.db2.gz BJZMKVSPHWTXMN-FCEWJHQRSA-N 0 3 335.394 4.223 20 10 EICDHN CC[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccccc1[O-] ZINC000775555494 1051839570 /nfs/dbraw/zinc/83/95/70/1051839570.db2.gz XBYDFBAINMDYDM-GOSISDBHSA-N 0 3 326.415 4.306 20 10 EICDHN Cc1cc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])cc1Br ZINC001250120301 1051877964 /nfs/dbraw/zinc/87/79/64/1051877964.db2.gz AWHNQFKGENWYLF-NSHDSACASA-N 0 3 348.231 4.330 20 10 EICDHN Cc1cc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])cc1Br ZINC001250120301 1051877966 /nfs/dbraw/zinc/87/79/66/1051877966.db2.gz AWHNQFKGENWYLF-NSHDSACASA-N 0 3 348.231 4.330 20 10 EICDHN CN(C)c1ccc(/C=C/CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798521 1051901118 /nfs/dbraw/zinc/90/11/18/1051901118.db2.gz FPCNPAUOPDCJRG-QDLOVBKTSA-N 0 3 342.380 4.132 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)c1[O-] ZINC001184389202 1052001157 /nfs/dbraw/zinc/00/11/57/1052001157.db2.gz WJEOLBXNYJPHHB-BBRMVZONSA-N 0 3 338.289 4.379 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)c1[O-] ZINC001184389204 1052002018 /nfs/dbraw/zinc/00/20/18/1052002018.db2.gz WJEOLBXNYJPHHB-CJNGLKHVSA-N 0 3 338.289 4.379 20 10 EICDHN Cc1ccc([C@H](C)NCc2cccnc2OC2CCCC2)c(O)c1 ZINC000185010442 1052360134 /nfs/dbraw/zinc/36/01/34/1052360134.db2.gz ARELVVIBPWHIHF-HNNXBMFYSA-N 0 3 326.440 4.268 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000185128881 1052449355 /nfs/dbraw/zinc/44/93/55/1052449355.db2.gz RCRLSYUOCSHIIH-CVEARBPZSA-N 0 3 328.431 4.017 20 10 EICDHN COc1ccc(CCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000185147521 1052478471 /nfs/dbraw/zinc/47/84/71/1052478471.db2.gz VNFVRVNBDZRFMJ-HNNXBMFYSA-N 0 3 329.440 4.001 20 10 EICDHN Cc1cccc2nc(CN[C@H](C)c3cc4c(cc3O)CCCC4)cn21 ZINC000185412618 1052598139 /nfs/dbraw/zinc/59/81/39/1052598139.db2.gz YVMIMVCHNCJLHP-OAHLLOKOSA-N 0 3 335.451 4.078 20 10 EICDHN COCC[C@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccco1 ZINC000850241141 1053096990 /nfs/dbraw/zinc/09/69/90/1053096990.db2.gz UNOOGKLSNAITNL-KRWDZBQOSA-N 0 3 347.455 4.159 20 10 EICDHN Cc1c(Br)cncc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000850251765 1053100114 /nfs/dbraw/zinc/10/01/14/1053100114.db2.gz FTUHGNIUCPYBKI-CYBMUJFWSA-N 0 3 348.288 4.069 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)c2c1 ZINC000794654575 1053253218 /nfs/dbraw/zinc/25/32/18/1053253218.db2.gz DHGQHVFIPKOXPZ-BDJLRTHQSA-N 0 3 339.357 4.327 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)c2c1 ZINC000794654575 1053253236 /nfs/dbraw/zinc/25/32/36/1053253236.db2.gz DHGQHVFIPKOXPZ-BDJLRTHQSA-N 0 3 339.357 4.327 20 10 EICDHN COC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])c1cccc(OC)c1 ZINC000850513009 1053271219 /nfs/dbraw/zinc/27/12/19/1053271219.db2.gz CFBLQAVSAGRIRJ-UGSOOPFHSA-N 0 3 349.858 4.401 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cccc2nccn21)C1CCCCC1 ZINC000775637527 1053274220 /nfs/dbraw/zinc/27/42/20/1053274220.db2.gz PZNQEZYPORBJFB-UHFFFAOYSA-N 0 3 335.451 4.375 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cccc2nccn21)C1CCCCC1 ZINC000775637527 1053274241 /nfs/dbraw/zinc/27/42/41/1053274241.db2.gz PZNQEZYPORBJFB-UHFFFAOYSA-N 0 3 335.451 4.375 20 10 EICDHN COCc1csc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000850532922 1053297298 /nfs/dbraw/zinc/29/72/98/1053297298.db2.gz PCPBCMCLSSRFJV-NSHDSACASA-N 0 3 325.861 4.413 20 10 EICDHN Cc1ccc(O)c([C@H](C)NCc2cc(F)ccc2OC(F)F)c1 ZINC000850569569 1053322934 /nfs/dbraw/zinc/32/29/34/1053322934.db2.gz JFUUVZDFLGMLJO-NSHDSACASA-N 0 3 325.330 4.292 20 10 EICDHN CC(C)N(Cc1cn(C)nc1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000775651262 1053379367 /nfs/dbraw/zinc/37/93/67/1053379367.db2.gz LELBWEZJPNCZJI-UHFFFAOYSA-N 0 3 342.531 4.194 20 10 EICDHN CC[C@@H]([NH2+]Cc1cc(OC)nc2ccccc12)c1ccc(C)cc1[O-] ZINC000794800983 1053385446 /nfs/dbraw/zinc/38/54/46/1053385446.db2.gz HHBNAYGNQLSDKH-GOSISDBHSA-N 0 3 336.435 4.498 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c([O-])c1 ZINC000776499317 1053385359 /nfs/dbraw/zinc/38/53/59/1053385359.db2.gz ULUFHLUPKPGJAR-QGZVFWFLSA-N 0 3 347.842 4.448 20 10 EICDHN CC[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794805665 1053408637 /nfs/dbraw/zinc/40/86/37/1053408637.db2.gz YKBSQEXBELIKPA-PMACEKPBSA-N 0 3 349.478 4.459 20 10 EICDHN CC[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(C)cc1[O-] ZINC000794809651 1053416360 /nfs/dbraw/zinc/41/63/60/1053416360.db2.gz HGQQPTZCOMOWHW-MRXNPFEDSA-N 0 3 341.430 4.010 20 10 EICDHN CC[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(C)cc1[O-] ZINC000794813988 1053421819 /nfs/dbraw/zinc/42/18/19/1053421819.db2.gz GFYKFGAOCLMJME-KRWDZBQOSA-N 0 3 337.423 4.034 20 10 EICDHN CN(Cc1cccc(C(=O)Nc2ccccc2)c1)Cc1ccccc1O ZINC000109773234 1053422857 /nfs/dbraw/zinc/42/28/57/1053422857.db2.gz VEDYHGRXQYYIED-UHFFFAOYSA-N 0 3 346.430 4.277 20 10 EICDHN CC[C@@H](N[C@@H](COC)c1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794816568 1053423874 /nfs/dbraw/zinc/42/38/74/1053423874.db2.gz LOURPKNANSQJQD-MSOLQXFVSA-N 0 3 335.394 4.407 20 10 EICDHN Cc1cccc(CN2CCCC[C@H]2c2nc3ccccc3n2C)c1O ZINC000775664108 1053436262 /nfs/dbraw/zinc/43/62/62/1053436262.db2.gz SHGCOOUVAAHHHO-IBGZPJMESA-N 0 3 335.451 4.315 20 10 EICDHN CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O)c1ccc(C)cc1[O-] ZINC000794818690 1053436317 /nfs/dbraw/zinc/43/63/17/1053436317.db2.gz XYENWXGSYNFEAG-XJABCFGWSA-N 0 3 341.495 4.371 20 10 EICDHN CC[C@@H]([NH2+][C@@H](CCCOC)Cc1ccccc1)c1ccccc1[O-] ZINC000794822224 1053437706 /nfs/dbraw/zinc/43/77/06/1053437706.db2.gz AZMDOIJSCZRASH-AZUAARDMSA-N 0 3 327.468 4.471 20 10 EICDHN C[C@H](N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000765435041 1053546102 /nfs/dbraw/zinc/54/61/02/1053546102.db2.gz AHXIEDFTBDOQQG-JHVJFLLYSA-N 0 3 342.458 4.463 20 10 EICDHN CCOc1ccc(O)c(CNCc2ccsc2C(F)(F)F)c1 ZINC000865653592 1053566239 /nfs/dbraw/zinc/56/62/39/1053566239.db2.gz RQLZANJBPVXGGJ-UHFFFAOYSA-N 0 3 331.359 4.161 20 10 EICDHN CCOCc1cc(CNCc2ccc3cccnc3c2)ccc1OC ZINC000865681444 1053572682 /nfs/dbraw/zinc/57/26/82/1053572682.db2.gz XPXLQXCWXUOCFE-UHFFFAOYSA-N 0 3 336.435 4.070 20 10 EICDHN COc1cc(O)c(CN2CC[C@H](C)C[C@@H]2c2ccc(C)o2)cc1OC ZINC000775735502 1053716072 /nfs/dbraw/zinc/71/60/72/1053716072.db2.gz QFPVAIQYKAQIFD-XJKSGUPXSA-N 0 3 345.439 4.284 20 10 EICDHN CC[C@@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000866407911 1053717572 /nfs/dbraw/zinc/71/75/72/1053717572.db2.gz YTSZGKLZRAEDIN-CVEARBPZSA-N 0 3 339.357 4.185 20 10 EICDHN CC[C@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000866407916 1053717609 /nfs/dbraw/zinc/71/76/09/1053717609.db2.gz YTSZGKLZRAEDIN-JKSUJKDBSA-N 0 3 339.357 4.185 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc3c2CCOC3)c1[O-] ZINC000866479616 1053747062 /nfs/dbraw/zinc/74/70/62/1053747062.db2.gz WAEYHHQVQZNHJP-CYBMUJFWSA-N 0 3 331.843 4.278 20 10 EICDHN CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000121082863 1053752400 /nfs/dbraw/zinc/75/24/00/1053752400.db2.gz RKGCSNFRYBRNMG-WBVHZDCISA-N 0 3 348.487 4.080 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1cc(F)ccc1[O-] ZINC000866542071 1053777546 /nfs/dbraw/zinc/77/75/46/1053777546.db2.gz WFYORXZGOYAQRR-SECBINFHSA-N 0 3 329.293 4.123 20 10 EICDHN C[C@H](N[C@@H]1CCCn2nccc21)c1ccc(N2CCCCC2)c(F)c1 ZINC000866633361 1053812995 /nfs/dbraw/zinc/81/29/95/1053812995.db2.gz UFQUTADXFICDCB-MAUKXSAKSA-N 0 3 342.462 4.198 20 10 EICDHN CC[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000186182765 1054377653 /nfs/dbraw/zinc/37/76/53/1054377653.db2.gz RHXVGCBTUPCRIZ-DOTOQJQBSA-N 0 3 348.487 4.080 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1cc(F)ccc1[O-] ZINC000872131574 1054408649 /nfs/dbraw/zinc/40/86/49/1054408649.db2.gz XINWHILDBLPXIT-VHSXEESVSA-N 0 3 328.309 4.357 20 10 EICDHN COC(=O)/C(C)=C/CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776012069 1054445708 /nfs/dbraw/zinc/44/57/08/1054445708.db2.gz XUPRCAOSUFBHGT-MAUBAPBLSA-N 0 3 339.435 4.075 20 10 EICDHN Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c([O-])ccc3ccccc32)no1 ZINC000872742996 1054461195 /nfs/dbraw/zinc/46/11/95/1054461195.db2.gz AUYUDWFSWXTRRR-ALOPSCKCSA-N 0 3 349.434 4.147 20 10 EICDHN Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c([O-])ccc3ccccc32)no1 ZINC000872742996 1054461201 /nfs/dbraw/zinc/46/12/01/1054461201.db2.gz AUYUDWFSWXTRRR-ALOPSCKCSA-N 0 3 349.434 4.147 20 10 EICDHN COc1cccc([C@@H](C)NCc2csc(C(F)(F)F)c2)c1O ZINC000858564910 1054518240 /nfs/dbraw/zinc/51/82/40/1054518240.db2.gz XYOAZQZAFJVZBK-SECBINFHSA-N 0 3 331.359 4.332 20 10 EICDHN C[C@H]1CCCCN1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020553191 1054714438 /nfs/dbraw/zinc/71/44/38/1054714438.db2.gz LIIBCHMQMJVUNW-LBPRGKRZSA-N 0 3 331.287 4.053 20 10 EICDHN C[C@H]1CCCC[N@@H+]1CCCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000020553191 1054714449 /nfs/dbraw/zinc/71/44/49/1054714449.db2.gz LIIBCHMQMJVUNW-LBPRGKRZSA-N 0 3 331.287 4.053 20 10 EICDHN C[C@H]1CCCC[N@H+]1CCCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000020553191 1054714460 /nfs/dbraw/zinc/71/44/60/1054714460.db2.gz LIIBCHMQMJVUNW-LBPRGKRZSA-N 0 3 331.287 4.053 20 10 EICDHN COc1ccc(CNCc2ccc(C)c(Br)c2)cc1C ZINC000776153613 1054749493 /nfs/dbraw/zinc/74/94/93/1054749493.db2.gz AIUZPLNFLFGMMB-UHFFFAOYSA-N 0 3 334.257 4.364 20 10 EICDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC001201742407 1054892952 /nfs/dbraw/zinc/89/29/52/1054892952.db2.gz NTQZMQSHRXWGSU-MNKBLEIRSA-N 0 3 340.442 4.408 20 10 EICDHN Cc1cccc(O)c1CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000876630652 1054938894 /nfs/dbraw/zinc/93/88/94/1054938894.db2.gz HMKRPHHNNZSWRF-PHIMTYICSA-N 0 3 341.295 4.263 20 10 EICDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCOc3ccc(F)cc32)cc1 ZINC001202010799 1054977954 /nfs/dbraw/zinc/97/79/54/1054977954.db2.gz QKHGXTJZCHWZIV-ZRHASKPBSA-N 0 3 326.415 4.018 20 10 EICDHN COc1cc(Cl)cc(C[NH+]2CCC(c3ccsc3)CC2)c1[O-] ZINC000777220578 1054993242 /nfs/dbraw/zinc/99/32/42/1054993242.db2.gz JDMIPBXVHOHARV-UHFFFAOYSA-N 0 3 337.872 4.495 20 10 EICDHN COc1cc(Cl)cc(CN2CCC(c3ccsc3)CC2)c1O ZINC000777220578 1054993258 /nfs/dbraw/zinc/99/32/58/1054993258.db2.gz JDMIPBXVHOHARV-UHFFFAOYSA-N 0 3 337.872 4.495 20 10 EICDHN C[C@@H](NCc1c(Cl)cccc1N1CCCC1)c1ccccc1O ZINC000877756626 1055114854 /nfs/dbraw/zinc/11/48/54/1055114854.db2.gz ZRAIMIGFTCOKFK-CQSZACIVSA-N 0 3 330.859 4.497 20 10 EICDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757371 1055115253 /nfs/dbraw/zinc/11/52/53/1055115253.db2.gz UVCORPBBCSDBSK-INIZCTEOSA-N 0 3 349.478 4.413 20 10 EICDHN Cc1sc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1Br ZINC000877758009 1055116184 /nfs/dbraw/zinc/11/61/84/1055116184.db2.gz CSLRNXJCKHOFAQ-VIFPVBQESA-N 0 3 326.259 4.375 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)c2c1 ZINC000863295576 1055183142 /nfs/dbraw/zinc/18/31/42/1055183142.db2.gz ZGBUXXDEJNWMQV-CVEARBPZSA-N 0 3 329.465 4.024 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)c2c1 ZINC000863295576 1055183148 /nfs/dbraw/zinc/18/31/48/1055183148.db2.gz ZGBUXXDEJNWMQV-CVEARBPZSA-N 0 3 329.465 4.024 20 10 EICDHN COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])OC(C)C ZINC000186381475 1055417361 /nfs/dbraw/zinc/41/73/61/1055417361.db2.gz ASVMNQGXJZTGLB-VBKZILBWSA-N 0 3 347.430 4.357 20 10 EICDHN CCCOc1ccc(CN[C@@H](CC)c2ccc(N(C)C)cc2)cn1 ZINC000765861865 1056023319 /nfs/dbraw/zinc/02/33/19/1056023319.db2.gz SSSGJLSFFNCDMD-IBGZPJMESA-N 0 3 327.472 4.177 20 10 EICDHN CCOc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c([O-])c1 ZINC000742381053 1058580434 /nfs/dbraw/zinc/58/04/34/1058580434.db2.gz VOIDTZQVUNOHLZ-UHFFFAOYSA-N 0 3 344.842 4.258 20 10 EICDHN COc1cc(Br)cc(C[NH2+][C@H](C)C2CCCCC2)c1[O-] ZINC000742373034 1058600040 /nfs/dbraw/zinc/60/00/40/1058600040.db2.gz DOGBDTJYICETPY-LLVKDONJSA-N 0 3 342.277 4.222 20 10 EICDHN CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@H]2CCCO[C@H]21 ZINC000742376787 1058601850 /nfs/dbraw/zinc/60/18/50/1058601850.db2.gz HGZULDOFIGCISK-HMXCVIKNSA-N 0 3 337.463 4.352 20 10 EICDHN CCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000744450408 1059526423 /nfs/dbraw/zinc/52/64/23/1059526423.db2.gz TUGIWUDIQVDPDY-UHFFFAOYSA-N 0 3 325.452 4.356 20 10 EICDHN CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490459 522719666 /nfs/dbraw/zinc/71/96/66/522719666.db2.gz OPWBUPHLMFLMAJ-WWGRRREGSA-N 0 3 343.298 4.367 20 10 EICDHN CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490459 522719673 /nfs/dbraw/zinc/71/96/73/522719673.db2.gz OPWBUPHLMFLMAJ-WWGRRREGSA-N 0 3 343.298 4.367 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490459 522719675 /nfs/dbraw/zinc/71/96/75/522719675.db2.gz OPWBUPHLMFLMAJ-WWGRRREGSA-N 0 3 343.298 4.367 20 10 EICDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Br)cc2)c1 ZINC000042352316 524761855 /nfs/dbraw/zinc/76/18/55/524761855.db2.gz SWLNXIAVVXZBSZ-LLVKDONJSA-N 0 3 336.229 4.014 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2ccc(Br)cc2)c1 ZINC000042352316 524761867 /nfs/dbraw/zinc/76/18/67/524761867.db2.gz SWLNXIAVVXZBSZ-LLVKDONJSA-N 0 3 336.229 4.014 20 10 EICDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(Br)cc2)c1 ZINC000042352314 524771213 /nfs/dbraw/zinc/77/12/13/524771213.db2.gz SWLNXIAVVXZBSZ-NSHDSACASA-N 0 3 336.229 4.014 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2ccc(Br)cc2)c1 ZINC000042352314 524771229 /nfs/dbraw/zinc/77/12/29/524771229.db2.gz SWLNXIAVVXZBSZ-NSHDSACASA-N 0 3 336.229 4.014 20 10 EICDHN C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729681942 1032130199 /nfs/dbraw/zinc/13/01/99/1032130199.db2.gz BQBQAOQTSZGTCB-MRXNPFEDSA-N 0 3 333.431 4.486 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1[O-] ZINC000155335865 1020499628 /nfs/dbraw/zinc/49/96/28/1020499628.db2.gz CNIGKCPZUYYSRA-KDOFPFPSSA-N 0 3 340.423 4.151 20 10 EICDHN C[C@H]([NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000310647532 1021384922 /nfs/dbraw/zinc/38/49/22/1021384922.db2.gz NWXWZZGPMYMXER-MGPUTAFESA-N 0 3 348.487 4.080 20 10 EICDHN C[C@H](O)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000725846849 1021386093 /nfs/dbraw/zinc/38/60/93/1021386093.db2.gz VFYTUPZNNVSDFX-INIZCTEOSA-N 0 3 333.431 4.402 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000376168583 1021651733 /nfs/dbraw/zinc/65/17/33/1021651733.db2.gz XKRCLJBHOSJWEZ-CQSZACIVSA-N 0 3 326.371 4.052 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000376168583 1021651743 /nfs/dbraw/zinc/65/17/43/1021651743.db2.gz XKRCLJBHOSJWEZ-CQSZACIVSA-N 0 3 326.371 4.052 20 10 EICDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000177975248 1021836524 /nfs/dbraw/zinc/83/65/24/1021836524.db2.gz LYKWMRBRLBSVKZ-INIZCTEOSA-N 0 3 341.474 4.343 20 10 EICDHN COc1cc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])ccc1OCC(C)C ZINC000180427805 1022490184 /nfs/dbraw/zinc/49/01/84/1022490184.db2.gz KKHFETZQSXNQFZ-CQSZACIVSA-N 0 3 347.430 4.426 20 10 EICDHN CC[C@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000180716216 1022804239 /nfs/dbraw/zinc/80/42/39/1022804239.db2.gz FNWYHEWQUQQOLR-OALUTQOASA-N 0 3 328.431 4.456 20 10 EICDHN CCN1CCN(c2ccccc2N[C@H](C)c2cc(C)ccc2O)CC1 ZINC000186361396 1023121872 /nfs/dbraw/zinc/12/18/72/1023121872.db2.gz BVYHJZGSWFGETN-QGZVFWFLSA-N 0 3 339.483 4.016 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccc(OC)cc1C(F)(F)F ZINC001143485183 1023342166 /nfs/dbraw/zinc/34/21/66/1023342166.db2.gz XMOFYVNLAAEKJJ-UHFFFAOYSA-N 0 3 339.357 4.442 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccc(OC)cc1C(F)(F)F ZINC001143485183 1023342176 /nfs/dbraw/zinc/34/21/76/1023342176.db2.gz XMOFYVNLAAEKJJ-UHFFFAOYSA-N 0 3 339.357 4.442 20 10 EICDHN CC[C@H]([NH2+][C@H](Cc1nc(C)no1)c1ccccc1)c1ccccc1[O-] ZINC000277197674 1025323325 /nfs/dbraw/zinc/32/33/25/1025323325.db2.gz VKFRMXJPGCWTOP-ZWKOTPCHSA-N 0 3 337.423 4.108 20 10 EICDHN CC[C@H]([NH2+]Cc1cccc(OCCCOC)c1)c1ccccc1[O-] ZINC000156856662 1025679948 /nfs/dbraw/zinc/67/99/48/1025679948.db2.gz XNLBKLGMSLGIML-IBGZPJMESA-N 0 3 329.440 4.048 20 10 EICDHN Cc1cc(O)c(CN[C@@H](C)c2ccc(Br)cn2)cc1C ZINC000279617085 1026547929 /nfs/dbraw/zinc/54/79/29/1026547929.db2.gz AIUJOWNGFBBKAT-LBPRGKRZSA-N 0 3 335.245 4.017 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1ccnn1-c1ccc(F)cc1 ZINC000475189273 1029351170 /nfs/dbraw/zinc/35/11/70/1029351170.db2.gz FTVKXTMVQCDHTP-UHFFFAOYSA-N 0 3 348.425 4.101 20 10 EICDHN COc1ccc(O)c([C@@H](C)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000185152539 1030120487 /nfs/dbraw/zinc/12/04/87/1030120487.db2.gz LEBYOCSQHNDDOS-QVKFZJNVSA-N 0 3 334.419 4.236 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c([O-])c1 ZINC000186192591 1030255349 /nfs/dbraw/zinc/25/53/49/1030255349.db2.gz ISWRJLVSKYSLEO-CABCVRRESA-N 0 3 337.423 4.205 20 10 EICDHN CCC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)Cc1ccccc1[O-] ZINC000170779110 1030806959 /nfs/dbraw/zinc/80/69/59/1030806959.db2.gz DXGCNLZRQVBZNJ-UHFFFAOYSA-N 0 3 338.455 4.130 20 10 EICDHN CCC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)Cc1ccccc1[O-] ZINC000170779110 1030806964 /nfs/dbraw/zinc/80/69/64/1030806964.db2.gz DXGCNLZRQVBZNJ-UHFFFAOYSA-N 0 3 338.455 4.130 20 10 EICDHN Cc1cnn(-c2ccc([C@@H](C)[NH2+][C@@H](C)c3ccccc3[O-])cc2F)c1 ZINC000359998245 1031906181 /nfs/dbraw/zinc/90/61/81/1031906181.db2.gz WQCANTISKVZIHK-CABCVRRESA-N 0 3 339.414 4.437 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178684603 1033559730 /nfs/dbraw/zinc/55/97/30/1033559730.db2.gz MGCXCLWRRFMGSE-CABCVRRESA-N 0 3 327.428 4.463 20 10 EICDHN CCN(C)c1ccc([C@H](C)NCc2ccc(F)c(COC)c2)cc1 ZINC000151185334 1035569591 /nfs/dbraw/zinc/56/95/91/1035569591.db2.gz QMIONCRSCXPKSF-HNNXBMFYSA-N 0 3 330.447 4.279 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccccc1[O-] ZINC000156342254 1035891730 /nfs/dbraw/zinc/89/17/30/1035891730.db2.gz OLEVVDHZMUEWQL-DOTOQJQBSA-N 0 3 327.449 4.381 20 10 EICDHN COc1ccc([C@H]2CCCN2Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761184771 1035898768 /nfs/dbraw/zinc/89/87/68/1035898768.db2.gz PHPQIXBTWVRHRS-QGZVFWFLSA-N 0 3 347.842 4.400 20 10 EICDHN COCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H](C)c1ccccc1 ZINC000761191772 1036011513 /nfs/dbraw/zinc/01/15/13/1036011513.db2.gz BMUNIGZRMCNOLC-CQSZACIVSA-N 0 3 349.858 4.264 20 10 EICDHN COCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H](C)c1ccccc1 ZINC000761191772 1036011533 /nfs/dbraw/zinc/01/15/33/1036011533.db2.gz BMUNIGZRMCNOLC-CQSZACIVSA-N 0 3 349.858 4.264 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000761198753 1036014642 /nfs/dbraw/zinc/01/46/42/1036014642.db2.gz LPXDBGHWWONENU-ZDUSSCGKSA-N 0 3 335.806 4.183 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000761198753 1036014664 /nfs/dbraw/zinc/01/46/64/1036014664.db2.gz LPXDBGHWWONENU-ZDUSSCGKSA-N 0 3 335.806 4.183 20 10 EICDHN COc1cc(Cl)cc(C[NH+]2CCC(n3c(C)ccc3C)CC2)c1[O-] ZINC000761195215 1036018722 /nfs/dbraw/zinc/01/87/22/1036018722.db2.gz JDMPEFPYUAWHES-UHFFFAOYSA-N 0 3 348.874 4.310 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCCc3ccccc32)c1[O-] ZINC000761207589 1036040006 /nfs/dbraw/zinc/04/00/06/1036040006.db2.gz QICKXIIEQAKCGI-IBGZPJMESA-N 0 3 331.843 4.396 20 10 EICDHN COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc(OC)c1OC ZINC000273385112 1037446127 /nfs/dbraw/zinc/44/61/27/1037446127.db2.gz JIZQDRCWDDYYJC-ZIAGYGMSSA-N 0 3 345.439 4.138 20 10 EICDHN Oc1ccccc1CNCc1cc(Br)ccc1Cl ZINC000225269551 1037527335 /nfs/dbraw/zinc/52/73/35/1037527335.db2.gz RARVVQOQXZJQGV-UHFFFAOYSA-N 0 3 326.621 4.098 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1[O-] ZINC000273719876 1037562052 /nfs/dbraw/zinc/56/20/52/1037562052.db2.gz HWXFKLXWALFGPZ-OAHLLOKOSA-N 0 3 339.863 4.026 20 10 EICDHN C[C@@H](NCc1nn(C)c2ccccc12)c1cc2c(cc1O)CCCC2 ZINC000760896068 1037647488 /nfs/dbraw/zinc/64/74/88/1037647488.db2.gz CWHVMVRUQLTKIY-CQSZACIVSA-N 0 3 335.451 4.009 20 10 EICDHN CCOc1ccc(N2CCN(CCc3ccccc3CC)CC2)cc1 ZINC001168331683 1038998528 /nfs/dbraw/zinc/99/85/28/1038998528.db2.gz OHROAPQBOXIJBU-UHFFFAOYSA-N 0 3 338.495 4.012 20 10 EICDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000366675741 1041842262 /nfs/dbraw/zinc/84/22/62/1041842262.db2.gz JBZXPVWUVLAJPZ-LJQANCHMSA-N 0 3 344.499 4.004 20 10 EICDHN C[C@H](NCc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 ZINC000152076665 1042625493 /nfs/dbraw/zinc/62/54/93/1042625493.db2.gz GVNJJLGZJOVTMT-INIZCTEOSA-N 0 3 338.451 4.256 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CSCCc2ccccc21 ZINC000766031025 1043076796 /nfs/dbraw/zinc/07/67/96/1043076796.db2.gz YSPMYQCLVNLGIX-HXUWFJFHSA-N 0 3 326.509 4.181 20 10 EICDHN COc1ccc2c(c1)CN(Cc1cccc(C(C)(C)C)c1O)CC2 ZINC001143103375 1043367544 /nfs/dbraw/zinc/36/75/44/1043367544.db2.gz BBQHRLMGOCHSRL-UHFFFAOYSA-N 0 3 325.452 4.257 20 10 EICDHN COC(=O)c1coc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000733198925 1044127865 /nfs/dbraw/zinc/12/78/65/1044127865.db2.gz KWKJNPMQCQHMPP-UHFFFAOYSA-N 0 3 343.423 4.107 20 10 EICDHN COC(=O)c1coc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000733198925 1044127882 /nfs/dbraw/zinc/12/78/82/1044127882.db2.gz KWKJNPMQCQHMPP-UHFFFAOYSA-N 0 3 343.423 4.107 20 10 EICDHN COc1ccc(OC)c(CN(Cc2cc(C)c(C)cc2O)C2CC2)c1 ZINC000914570197 1044512245 /nfs/dbraw/zinc/51/22/45/1044512245.db2.gz QVZZCEBXKONXEY-UHFFFAOYSA-N 0 3 341.451 4.191 20 10 EICDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(C(F)(F)F)nc1 ZINC000922328045 1044548593 /nfs/dbraw/zinc/54/85/93/1044548593.db2.gz NCBUGNQXTVXHBJ-LBPRGKRZSA-N 0 3 336.357 4.276 20 10 EICDHN C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000734845857 1044698709 /nfs/dbraw/zinc/69/87/09/1044698709.db2.gz JTEPRPKXWGJXJG-HTAPYJJXSA-N 0 3 347.458 4.313 20 10 EICDHN C[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC000735079030 1044738797 /nfs/dbraw/zinc/73/87/97/1044738797.db2.gz ZNNNHILZRXHCBD-XLIONFOSSA-N 0 3 325.452 4.177 20 10 EICDHN C[C@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC000735079030 1044738810 /nfs/dbraw/zinc/73/88/10/1044738810.db2.gz ZNNNHILZRXHCBD-XLIONFOSSA-N 0 3 325.452 4.177 20 10 EICDHN Cc1ccc(O)c(CN(C)Cc2ccc(Br)s2)c1 ZINC000768193762 1045752379 /nfs/dbraw/zinc/75/23/79/1045752379.db2.gz PCXVLYXDOFSDLE-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN CC(C)N(Cc1cnc(C2CC2)s1)Cc1ccc(N(C)C)cc1 ZINC000768357880 1045799252 /nfs/dbraw/zinc/79/92/52/1045799252.db2.gz PGJWSVMEWMQLIP-UHFFFAOYSA-N 0 3 329.513 4.497 20 10 EICDHN COCc1ccc([C@H]2CCCN2Cc2cc(Cl)cc(C)c2O)o1 ZINC000768541729 1045818074 /nfs/dbraw/zinc/81/80/74/1045818074.db2.gz QSZLYYRBUKLIAV-MRXNPFEDSA-N 0 3 335.831 4.431 20 10 EICDHN CCOc1ccc(C[N@H+](CCOC)[C@H](C)c2ccccc2)c([O-])c1 ZINC000768597289 1045825152 /nfs/dbraw/zinc/82/51/52/1045825152.db2.gz REHZRBKFSWWSMM-MRXNPFEDSA-N 0 3 329.440 4.001 20 10 EICDHN CCOc1ccc(C[N@@H+](CCOC)[C@H](C)c2ccccc2)c([O-])c1 ZINC000768597289 1045825157 /nfs/dbraw/zinc/82/51/57/1045825157.db2.gz REHZRBKFSWWSMM-MRXNPFEDSA-N 0 3 329.440 4.001 20 10 EICDHN Cc1ccc(O)c(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000768990496 1045868147 /nfs/dbraw/zinc/86/81/47/1045868147.db2.gz GBBYDKLIOWKXPE-TXEJJXNPSA-N 0 3 341.295 4.263 20 10 EICDHN COc1ccc(CNCc2cc(Cl)c(OC)cc2Cl)c(O)c1 ZINC000793387571 1046229216 /nfs/dbraw/zinc/22/92/16/1046229216.db2.gz HRFQIPGYNUOBTH-UHFFFAOYSA-N 0 3 342.222 4.006 20 10 EICDHN COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)c([O-])c1 ZINC000793386401 1046229422 /nfs/dbraw/zinc/22/94/22/1046229422.db2.gz PAIWKKXWEVFPCV-UHFFFAOYSA-N 0 3 349.430 4.366 20 10 EICDHN COc1ccc(C[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)c([O-])c1 ZINC000793385386 1046230704 /nfs/dbraw/zinc/23/07/04/1046230704.db2.gz AWAFBAMNGFCWIY-UHFFFAOYSA-N 0 3 340.448 4.123 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000322069786 1046260496 /nfs/dbraw/zinc/26/04/96/1046260496.db2.gz CYXUFCIEXDHVCA-BFYDXBDKSA-N 0 3 348.487 4.269 20 10 EICDHN CCN(CC)c1ccc(CN2CCC(c3c[nH]nc3C)CC2)cc1F ZINC000793610837 1046308615 /nfs/dbraw/zinc/30/86/15/1046308615.db2.gz YUWZTVVOTWYMMO-UHFFFAOYSA-N 0 3 344.478 4.083 20 10 EICDHN Cc1cc(CCN[C@H](C)c2nccs2)c(C)n1-c1ccccc1 ZINC000772441179 1046636415 /nfs/dbraw/zinc/63/64/15/1046636415.db2.gz JRPLZKHRBYXZBD-OAHLLOKOSA-N 0 3 325.481 4.444 20 10 EICDHN CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131120 1047155401 /nfs/dbraw/zinc/15/54/01/1047155401.db2.gz GOGRYKFUGFLXFD-ABAIWWIYSA-N 0 3 331.287 4.082 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000788590990 1047241393 /nfs/dbraw/zinc/24/13/93/1047241393.db2.gz XHMUFNQNJCXAQY-OAHLLOKOSA-N 0 3 348.487 4.059 20 10 EICDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](O)Cc1ccccc1 ZINC000746762054 1047291787 /nfs/dbraw/zinc/29/17/87/1047291787.db2.gz UJNMUDNTJLJSBZ-HXOBKFHXSA-N 0 3 347.458 4.141 20 10 EICDHN [NH3+]C1(c2ccc(NCc3cc(Cl)c4cccnc4c3[O-])cc2)CC1 ZINC001168523589 1047389252 /nfs/dbraw/zinc/38/92/52/1047389252.db2.gz PVGCLTYGKBKMQV-UHFFFAOYSA-N 0 3 339.826 4.154 20 10 EICDHN CN(C)c1ccc(CN[C@@H](c2ccncc2)C2CC2)c(C(F)(F)F)c1 ZINC000898322663 1047614891 /nfs/dbraw/zinc/61/48/91/1047614891.db2.gz PDRYEFYURNOINM-GOSISDBHSA-N 0 3 349.400 4.407 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@H](c2ccncc2)C2CC2)c1[O-] ZINC000898322651 1047615175 /nfs/dbraw/zinc/61/51/75/1047615175.db2.gz OVDLGBBUCXWKJL-INIZCTEOSA-N 0 3 347.256 4.099 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)c1ccccc1[O-] ZINC000155022430 1047884893 /nfs/dbraw/zinc/88/48/93/1047884893.db2.gz LCPPZCLBCQJACQ-AWEZNQCLSA-N 0 3 337.366 4.243 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1[O-] ZINC000808681406 1048034274 /nfs/dbraw/zinc/03/42/74/1048034274.db2.gz ALGBJAWKNJUVEI-AWEZNQCLSA-N 0 3 341.842 4.391 20 10 EICDHN CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808690298 1048039154 /nfs/dbraw/zinc/03/91/54/1048039154.db2.gz CUIKQIINMCBSLX-CYBMUJFWSA-N 0 3 346.858 4.206 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000808692306 1048039570 /nfs/dbraw/zinc/03/95/70/1048039570.db2.gz QSXIAQYJTKDWAM-LBPRGKRZSA-N 0 3 334.803 4.156 20 10 EICDHN CCCN(CCC)c1ccc(CN[C@@H](C)c2cnn(CC)c2)cc1 ZINC000825130086 1048040786 /nfs/dbraw/zinc/04/07/86/1048040786.db2.gz MFSOBXVEHHDRLR-KRWDZBQOSA-N 0 3 328.504 4.380 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1[O-] ZINC000808675193 1048045925 /nfs/dbraw/zinc/04/59/25/1048045925.db2.gz YZOGXWSEHSWVPQ-VXGBXAGGSA-N 0 3 333.815 4.495 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c1[O-] ZINC000808672700 1048046511 /nfs/dbraw/zinc/04/65/11/1048046511.db2.gz RKCVKWMZBFMJIH-WMLDXEAASA-N 0 3 348.874 4.435 20 10 EICDHN COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808703863 1048051107 /nfs/dbraw/zinc/05/11/07/1048051107.db2.gz YPGHTUCPEAWZAV-FZKQIMNGSA-N 0 3 349.858 4.137 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOc2ncccc2Cl)c1[O-] ZINC000808705999 1048054363 /nfs/dbraw/zinc/05/43/63/1048054363.db2.gz BUEZQGZXLGGCKH-NSHDSACASA-N 0 3 341.238 4.132 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)c1[O-] ZINC000808707299 1048054622 /nfs/dbraw/zinc/05/46/22/1048054622.db2.gz KMAHLTZGOQPATJ-ZBEGNZNMSA-N 0 3 340.250 4.392 20 10 EICDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1C(F)(F)F ZINC001143646263 1048134574 /nfs/dbraw/zinc/13/45/74/1048134574.db2.gz LOHTVIGBWRYZPT-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1C(F)(F)F ZINC001143646263 1048134578 /nfs/dbraw/zinc/13/45/78/1048134578.db2.gz LOHTVIGBWRYZPT-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN Cc1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccc1N(C)C ZINC000815114062 1048329349 /nfs/dbraw/zinc/32/93/49/1048329349.db2.gz NMTCAHMMILDCKW-CVEARBPZSA-N 0 3 327.299 4.077 20 10 EICDHN COc1cccc([O-])c1C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000809689948 1048455828 /nfs/dbraw/zinc/45/58/28/1048455828.db2.gz FQORCDQJTBGPPX-HXUWFJFHSA-N 0 3 347.405 4.463 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)c1[O-] ZINC000809737656 1048507731 /nfs/dbraw/zinc/50/77/31/1048507731.db2.gz INEFXDYLJXGGRN-UHFFFAOYSA-N 0 3 347.842 4.172 20 10 EICDHN COc1cc(Cl)cc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)c1[O-] ZINC000809737656 1048507747 /nfs/dbraw/zinc/50/77/47/1048507747.db2.gz INEFXDYLJXGGRN-UHFFFAOYSA-N 0 3 347.842 4.172 20 10 EICDHN Cc1nccn1CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815561189 1048509528 /nfs/dbraw/zinc/50/95/28/1048509528.db2.gz AMLVQKDHTGFFEU-NRFANRHFSA-N 0 3 349.478 4.251 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCCn1ccnc1 ZINC000815562942 1048509653 /nfs/dbraw/zinc/50/96/53/1048509653.db2.gz QBMIHVUSDVYCAH-NRFANRHFSA-N 0 3 349.478 4.333 20 10 EICDHN C[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])N(C)C1CC1 ZINC000815576143 1048515672 /nfs/dbraw/zinc/51/56/72/1048515672.db2.gz KNHFIUYWPAAXNK-UTKZUKDTSA-N 0 3 338.495 4.138 20 10 EICDHN C[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])N(C)C1CC1 ZINC000815576141 1048517267 /nfs/dbraw/zinc/51/72/67/1048517267.db2.gz KNHFIUYWPAAXNK-DYESRHJHSA-N 0 3 338.495 4.138 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOCC1CC1 ZINC000815578723 1048518601 /nfs/dbraw/zinc/51/86/01/1048518601.db2.gz UTWMTJYVVJZDJW-FQEVSTJZSA-N 0 3 325.452 4.082 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCNc1ccccn1 ZINC000815582485 1048520230 /nfs/dbraw/zinc/52/02/30/1048520230.db2.gz HSTXQVHQLWAOBC-HXUWFJFHSA-N 0 3 347.462 4.163 20 10 EICDHN C[C@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCCO1 ZINC000815587734 1048524504 /nfs/dbraw/zinc/52/45/04/1048524504.db2.gz RTNYUSLNUVNKDY-PZJWPPBQSA-N 0 3 325.452 4.225 20 10 EICDHN CC[C@H](c1ccccc1OC)N(C)Cc1cc(OC)c(OC)cc1O ZINC000809781153 1048530124 /nfs/dbraw/zinc/53/01/24/1048530124.db2.gz PGOBBXSHIWCEPT-MRXNPFEDSA-N 0 3 345.439 4.001 20 10 EICDHN CCC(O)(CC)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815572316 1048535099 /nfs/dbraw/zinc/53/50/99/1048535099.db2.gz ZXNYKDGSPIZJBQ-LJQANCHMSA-N 0 3 327.468 4.207 20 10 EICDHN COC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCC1 ZINC000815613951 1048539912 /nfs/dbraw/zinc/53/99/12/1048539912.db2.gz BJJCIPBADOIDRQ-IBGZPJMESA-N 0 3 325.452 4.225 20 10 EICDHN C[C@@H]1COCC[C@@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815626001 1048551280 /nfs/dbraw/zinc/55/12/80/1048551280.db2.gz RVPNYOKKMFCFCT-QFUCXCTJSA-N 0 3 339.479 4.328 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815643858 1048569708 /nfs/dbraw/zinc/56/97/08/1048569708.db2.gz MZHMHZMYSHMBAB-KGLIPLIRSA-N 0 3 325.387 4.129 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2cscc2C(F)(F)F)c1 ZINC000845971364 1048769563 /nfs/dbraw/zinc/76/95/63/1048769563.db2.gz JEVIFJJNYRWLCS-SECBINFHSA-N 0 3 331.359 4.332 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cnn(CC(F)F)c1)C1CCCCC1 ZINC000816480316 1048810414 /nfs/dbraw/zinc/81/04/14/1048810414.db2.gz JSQIWPCLLQDBMX-UHFFFAOYSA-N 0 3 349.425 4.189 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cnn(CC(F)F)c1)C1CCCCC1 ZINC000816480316 1048810422 /nfs/dbraw/zinc/81/04/22/1048810422.db2.gz JSQIWPCLLQDBMX-UHFFFAOYSA-N 0 3 349.425 4.189 20 10 EICDHN COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])c(OC)c1 ZINC000816481634 1048813048 /nfs/dbraw/zinc/81/30/48/1048813048.db2.gz CNBWISAKJVNJKS-UHFFFAOYSA-N 0 3 337.419 4.195 20 10 EICDHN COc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])c(OC)c1 ZINC000816481634 1048813053 /nfs/dbraw/zinc/81/30/53/1048813053.db2.gz CNBWISAKJVNJKS-UHFFFAOYSA-N 0 3 337.419 4.195 20 10 EICDHN COc1cccc([C@H](C)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1O ZINC000846153224 1048824630 /nfs/dbraw/zinc/82/46/30/1048824630.db2.gz HZQXPSYSJXVBLL-BLLLJJGKSA-N 0 3 345.414 4.493 20 10 EICDHN COc1cccc([C@H](C)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1O ZINC000846145854 1048833557 /nfs/dbraw/zinc/83/35/57/1048833557.db2.gz QPFUJRAWQQNJMZ-UGSOOPFHSA-N 0 3 339.439 4.325 20 10 EICDHN Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc3ccccc3c1[O-])n2C ZINC000816570971 1048839082 /nfs/dbraw/zinc/83/90/82/1048839082.db2.gz NIMPDGRJXRLKSL-UHFFFAOYSA-N 0 3 331.419 4.030 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1[O-] ZINC000817976434 1049074098 /nfs/dbraw/zinc/07/40/98/1049074098.db2.gz XVADVCAAQKEOIO-SJORKVTESA-N 0 3 326.440 4.318 20 10 EICDHN C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)ccc1[O-] ZINC000817975662 1049074785 /nfs/dbraw/zinc/07/47/85/1049074785.db2.gz PRIQVTGHRGYUFJ-BDJLRTHQSA-N 0 3 330.403 4.067 20 10 EICDHN C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CCCN3)c2c1c(F)ccc2[O-] ZINC000817974911 1049076000 /nfs/dbraw/zinc/07/60/00/1049076000.db2.gz HKMGPBCVEJFTAQ-SJCJKPOMSA-N 0 3 326.415 4.228 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984801 1049076522 /nfs/dbraw/zinc/07/65/22/1049076522.db2.gz AFZXUDOJUNIDAW-FZMZJTMJSA-N 0 3 343.298 4.414 20 10 EICDHN CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000811510865 1049124118 /nfs/dbraw/zinc/12/41/18/1049124118.db2.gz QJFAFQZYLUKZDF-PMACEKPBSA-N 0 3 328.500 4.066 20 10 EICDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000811512505 1049125943 /nfs/dbraw/zinc/12/59/43/1049125943.db2.gz MZGNFIKZOKKXHH-UHFFFAOYSA-N 0 3 344.361 4.191 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000812735920 1049557839 /nfs/dbraw/zinc/55/78/39/1049557839.db2.gz IEKANSBYKOVYMV-HOTGVXAUSA-N 0 3 328.431 4.017 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)c1[O-] ZINC000812735137 1049557869 /nfs/dbraw/zinc/55/78/69/1049557869.db2.gz PLSAEVALKGJIRB-GFCCVEGCSA-N 0 3 329.831 4.092 20 10 EICDHN [O-]c1ccccc1C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000812773921 1049572412 /nfs/dbraw/zinc/57/24/12/1049572412.db2.gz ZXHCHPNTUITDBB-KOMQPUFPSA-N 0 3 332.241 4.191 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2cnc(C3CCCC3)s2)c1 ZINC000813330730 1049753490 /nfs/dbraw/zinc/75/34/90/1049753490.db2.gz FSBIRMVXXFDLRB-LBPRGKRZSA-N 0 3 332.469 4.366 20 10 EICDHN CC(=O)Nc1ccc(CNCc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000822344982 1049756774 /nfs/dbraw/zinc/75/67/74/1049756774.db2.gz SZOHTWNZFBPFBL-UHFFFAOYSA-N 0 3 347.462 4.342 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)c2c1c(F)ccc2[O-] ZINC000813883499 1049831355 /nfs/dbraw/zinc/83/13/55/1049831355.db2.gz OEEGXYSDPAMCIK-DVOMOZLQSA-N 0 3 344.405 4.087 20 10 EICDHN Cc1ccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC001180194879 1050926768 /nfs/dbraw/zinc/92/67/68/1050926768.db2.gz NAAUCZFYXRLMOE-CTNGQTDRSA-N 0 3 325.452 4.300 20 10 EICDHN Cc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC001180194879 1050926790 /nfs/dbraw/zinc/92/67/90/1050926790.db2.gz NAAUCZFYXRLMOE-CTNGQTDRSA-N 0 3 325.452 4.300 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1[O-] ZINC000183454937 1051126676 /nfs/dbraw/zinc/12/66/76/1051126676.db2.gz URQDDVOFBQTDRA-AWEZNQCLSA-N 0 3 336.391 4.088 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2sc(C)nc2C(F)(F)F)c1 ZINC000183643542 1051202044 /nfs/dbraw/zinc/20/20/44/1051202044.db2.gz IBYLBAHDABYFMW-MRVPVSSYSA-N 0 3 346.374 4.035 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774213503 1051497262 /nfs/dbraw/zinc/49/72/62/1051497262.db2.gz OAKARJXDXSKEBH-QJPTWQEYSA-N 0 3 331.287 4.222 20 10 EICDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc2ccccc2c1 ZINC001175419126 1051580064 /nfs/dbraw/zinc/58/00/64/1051580064.db2.gz RZJWHNLIDMJOJE-HUUCEWRRSA-N 0 3 334.419 4.223 20 10 EICDHN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000774484079 1051610167 /nfs/dbraw/zinc/61/01/67/1051610167.db2.gz OBPCFLGWYJBMSM-IRXDYDNUSA-N 0 3 339.483 4.047 20 10 EICDHN Cc1ccc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484018 1051612210 /nfs/dbraw/zinc/61/22/10/1051612210.db2.gz RRVGLIVHBSCESX-IRXDYDNUSA-N 0 3 339.483 4.047 20 10 EICDHN CC[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccccc1[O-] ZINC000775502346 1051643594 /nfs/dbraw/zinc/64/35/94/1051643594.db2.gz VHELPYBKJJEFEK-OAHLLOKOSA-N 0 3 330.497 4.401 20 10 EICDHN CC[C@@H](OCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-])c1ccccc1 ZINC001182734610 1051691813 /nfs/dbraw/zinc/69/18/13/1051691813.db2.gz XKBIWUFSGWPZDL-QGZVFWFLSA-N 0 3 349.858 4.312 20 10 EICDHN COc1cc(C)cc(CN2CCc3ccc(C(C)C)cc3C2)c1O ZINC001182780948 1051712280 /nfs/dbraw/zinc/71/22/80/1051712280.db2.gz GDQZIHRFDVVWLZ-UHFFFAOYSA-N 0 3 325.452 4.391 20 10 EICDHN CC[C@@H](Nc1ccc(N2CCN(CC)CC2)cc1)c1ccccc1O ZINC000775532114 1051746917 /nfs/dbraw/zinc/74/69/17/1051746917.db2.gz MGHGDYKPOXAIAC-HXUWFJFHSA-N 0 3 339.483 4.097 20 10 EICDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)c2c1c(F)ccc2[O-] ZINC000775568466 1051863431 /nfs/dbraw/zinc/86/34/31/1051863431.db2.gz LHWGEPIMVFJWDF-LRDDRELGSA-N 0 3 329.415 4.097 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000185073673 1052394063 /nfs/dbraw/zinc/39/40/63/1052394063.db2.gz CGOBFYBUQCBQPF-MRXNPFEDSA-N 0 3 342.458 4.155 20 10 EICDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(-n2cccn2)c1 ZINC000185617179 1052662475 /nfs/dbraw/zinc/66/24/75/1052662475.db2.gz MYYYZXWOKOPIMI-KBPBESRZSA-N 0 3 325.387 4.129 20 10 EICDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1[O-] ZINC000850558586 1053315346 /nfs/dbraw/zinc/31/53/46/1053315346.db2.gz UDNGEKFLZOCXKA-QLJPJBMISA-N 0 3 326.223 4.083 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1SCCS1 ZINC000850562063 1053316931 /nfs/dbraw/zinc/31/69/31/1053316931.db2.gz SQAQCLBTUUETFR-QGZVFWFLSA-N 0 3 345.533 4.462 20 10 EICDHN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000764859660 1053343867 /nfs/dbraw/zinc/34/38/67/1053343867.db2.gz LABOIYVHBPQGIA-INIZCTEOSA-N 0 3 342.483 4.399 20 10 EICDHN CC[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc(C)cc1[O-] ZINC000794799008 1053383850 /nfs/dbraw/zinc/38/38/50/1053383850.db2.gz ZYGDCHPBFFLFJK-IBGZPJMESA-N 0 3 339.483 4.327 20 10 EICDHN CC[C@@H]([NH2+]CCCOc1ccccc1OC)c1ccc(C)cc1[O-] ZINC000794804363 1053395996 /nfs/dbraw/zinc/39/59/96/1053395996.db2.gz DPGUBPHEZNCEDF-QGZVFWFLSA-N 0 3 329.440 4.219 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000794803703 1053397638 /nfs/dbraw/zinc/39/76/38/1053397638.db2.gz SAFKBADXSBPQBQ-DNVCBOLYSA-N 0 3 329.440 4.217 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)c1ccc(C)cc1[O-] ZINC000794812811 1053421602 /nfs/dbraw/zinc/42/16/02/1053421602.db2.gz ZFNVOVILNVYWME-WMZOPIPTSA-N 0 3 340.467 4.029 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)c1ccc(C)cc1[O-] ZINC000794812809 1053422345 /nfs/dbraw/zinc/42/23/45/1053422345.db2.gz ZFNVOVILNVYWME-FUHWJXTLSA-N 0 3 340.467 4.029 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)c1ccc(C)cc1[O-] ZINC000794812810 1053422407 /nfs/dbraw/zinc/42/24/07/1053422407.db2.gz ZFNVOVILNVYWME-SJLPKXTDSA-N 0 3 340.467 4.029 20 10 EICDHN CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccc(C)cc1[O-] ZINC000794812419 1053428122 /nfs/dbraw/zinc/42/81/22/1053428122.db2.gz CNUZVZHSMLJPOJ-IEBWSBKVSA-N 0 3 333.859 4.302 20 10 EICDHN CC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794817647 1053431433 /nfs/dbraw/zinc/43/14/33/1053431433.db2.gz UNVMKLBZSKFTIT-IRFCIJBXSA-N 0 3 343.442 4.047 20 10 EICDHN C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000794827576 1053440091 /nfs/dbraw/zinc/44/00/91/1053440091.db2.gz KXMJLTBMFQSIDQ-NVXWUHKLSA-N 0 3 344.886 4.218 20 10 EICDHN Cc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCCN3C)CCCO2 ZINC000765478921 1053561797 /nfs/dbraw/zinc/56/17/97/1053561797.db2.gz GUFDJBXJYFQAHY-FQEVSTJZSA-N 0 3 336.479 4.381 20 10 EICDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cc(F)c(F)c(F)c1 ZINC000765481809 1053567419 /nfs/dbraw/zinc/56/74/19/1053567419.db2.gz RDMKBIFFPGLTOD-GFCCVEGCSA-N 0 3 334.385 4.337 20 10 EICDHN COc1ccccc1C1([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000842902097 1053627485 /nfs/dbraw/zinc/62/74/85/1053627485.db2.gz LVWLHBMUAWQVIB-SWLSCSKDSA-N 0 3 327.399 4.367 20 10 EICDHN COc1ccccc1C1(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000842902097 1053627494 /nfs/dbraw/zinc/62/74/94/1053627494.db2.gz LVWLHBMUAWQVIB-SWLSCSKDSA-N 0 3 327.399 4.367 20 10 EICDHN CC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cccc(Cl)c1[O-] ZINC000853240306 1053655994 /nfs/dbraw/zinc/65/59/94/1053655994.db2.gz OSPZUWUCLMNJKX-QAPCUYQASA-N 0 3 336.907 4.208 20 10 EICDHN CC[C@@H](N[C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853242820 1053659984 /nfs/dbraw/zinc/65/99/84/1053659984.db2.gz SSJMCUUCDWIUHC-QZTJIDSGSA-N 0 3 333.435 4.306 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1[O-] ZINC000853242820 1053659990 /nfs/dbraw/zinc/65/99/90/1053659990.db2.gz SSJMCUUCDWIUHC-QZTJIDSGSA-N 0 3 333.435 4.306 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1[O-] ZINC000866540731 1053775390 /nfs/dbraw/zinc/77/53/90/1053775390.db2.gz BXRYHJNHRKZUDO-OAHLLOKOSA-N 0 3 325.330 4.374 20 10 EICDHN CC[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000866548907 1053781531 /nfs/dbraw/zinc/78/15/31/1053781531.db2.gz VRFDDIHESIZZTQ-HLLBOEOZSA-N 0 3 348.487 4.045 20 10 EICDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000160962085 1054322812 /nfs/dbraw/zinc/32/28/12/1054322812.db2.gz VVSQRKRRCHLKEA-XHDPSFHLSA-N 0 3 326.278 4.474 20 10 EICDHN Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000160962085 1054322825 /nfs/dbraw/zinc/32/28/25/1054322825.db2.gz VVSQRKRRCHLKEA-XHDPSFHLSA-N 0 3 326.278 4.474 20 10 EICDHN Cc1cc(N(C)C)ccc1CNCc1csc(C(F)(F)F)c1 ZINC000858139798 1054423331 /nfs/dbraw/zinc/42/33/31/1054423331.db2.gz ZPWPLEYLQPNODH-UHFFFAOYSA-N 0 3 328.403 4.431 20 10 EICDHN CCCOc1ccc(CNCc2ccc(NC(C)=O)cc2)cc1C ZINC000873008185 1054476409 /nfs/dbraw/zinc/47/64/09/1054476409.db2.gz GUGBBGVSXHSJSU-UHFFFAOYSA-N 0 3 326.440 4.032 20 10 EICDHN CN(C)c1ccc(CNCc2ccc(CC(F)(F)F)cc2)cc1F ZINC001199863723 1054480856 /nfs/dbraw/zinc/48/08/56/1054480856.db2.gz FIACNKYUWJHVTR-UHFFFAOYSA-N 0 3 340.364 4.286 20 10 EICDHN CCCOc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000873098385 1054486580 /nfs/dbraw/zinc/48/65/80/1054486580.db2.gz PIUKYNYFWJCDAL-VOIUYBSRSA-N 0 3 345.508 4.372 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCC(F)(F)C2)c1[O-] ZINC000776248556 1055070416 /nfs/dbraw/zinc/07/04/16/1055070416.db2.gz LHAPVUGLHQJZIF-LBPRGKRZSA-N 0 3 334.204 4.131 20 10 EICDHN CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756289 1055113962 /nfs/dbraw/zinc/11/39/62/1055113962.db2.gz FKLMHGCDHVXTQY-LSDHHAIUSA-N 0 3 326.440 4.023 20 10 EICDHN Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757352 1055113986 /nfs/dbraw/zinc/11/39/86/1055113986.db2.gz SJOWMKUSPTZAQM-ZDUSSCGKSA-N 0 3 339.414 4.185 20 10 EICDHN Cc1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000119360558 1055178693 /nfs/dbraw/zinc/17/86/93/1055178693.db2.gz ZSXFNIKVSWUMKY-HZPDHXFCSA-N 0 3 328.456 4.145 20 10 EICDHN C[C@H](Nc1cccc(CN2CCSCC2)c1)c1ccc(F)cc1O ZINC000186342928 1055369924 /nfs/dbraw/zinc/36/99/24/1055369924.db2.gz UKZFBDBYEPQBKO-AWEZNQCLSA-N 0 3 346.471 4.253 20 10 EICDHN C[C@@H](Nc1cccc(CN2CCSCC2)c1)c1ccc(F)cc1O ZINC000186342944 1055370823 /nfs/dbraw/zinc/37/08/23/1055370823.db2.gz UKZFBDBYEPQBKO-CQSZACIVSA-N 0 3 346.471 4.253 20 10 EICDHN Cc1cc(O)c(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1C ZINC000742165268 1058524269 /nfs/dbraw/zinc/52/42/69/1058524269.db2.gz JEJQHBXMIRSBRP-UWJYYQICSA-N 0 3 325.452 4.279 20 10 EICDHN Cc1cc(O)c(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1C ZINC000742162879 1058541698 /nfs/dbraw/zinc/54/16/98/1058541698.db2.gz ODKZCDPDQCJIDQ-YWZLYKJASA-N 0 3 329.415 4.110 20 10 EICDHN CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]2CCCO[C@H]21 ZINC000742376786 1058603021 /nfs/dbraw/zinc/60/30/21/1058603021.db2.gz HGZULDOFIGCISK-CEWLAPEOSA-N 0 3 337.463 4.352 20 10 EICDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000743870093 1059187558 /nfs/dbraw/zinc/18/75/58/1059187558.db2.gz HDVBKHRZICMTFF-KRWDZBQOSA-N 0 3 340.467 4.248 20 10 EICDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000743870178 1059193311 /nfs/dbraw/zinc/19/33/11/1059193311.db2.gz KJJBMVCBOONZAG-CQSZACIVSA-N 0 3 346.858 4.285 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179582521 1032563743 /nfs/dbraw/zinc/56/37/43/1032563743.db2.gz NAPYVZXWIWCHFW-LBPRGKRZSA-N 0 3 342.386 4.247 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179582521 1032563749 /nfs/dbraw/zinc/56/37/49/1032563749.db2.gz NAPYVZXWIWCHFW-LBPRGKRZSA-N 0 3 342.386 4.247 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1[O-] ZINC000274725271 1019059959 /nfs/dbraw/zinc/05/99/59/1019059959.db2.gz ANKXWTFMMXSHPU-XKGZKEIXSA-N 0 3 329.415 4.492 20 10 EICDHN Cc1ccc(O)c([C@H](C)NCc2nc3cccc(Cl)c3n2C)c1 ZINC000274812010 1019743185 /nfs/dbraw/zinc/74/31/85/1019743185.db2.gz YABCUBOGCWIOAR-LBPRGKRZSA-N 0 3 329.831 4.092 20 10 EICDHN C[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C[C@H](C)O ZINC000275066238 1020073104 /nfs/dbraw/zinc/07/31/04/1020073104.db2.gz XVZUUAVCASLNCC-UWVAXJGDSA-N 0 3 327.468 4.063 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)c1ccccc1[O-] ZINC000154977988 1020163407 /nfs/dbraw/zinc/16/34/07/1020163407.db2.gz SKJJXMNKAKQKMS-SFHVURJKSA-N 0 3 326.440 4.228 20 10 EICDHN CCCC(=O)Nc1ccc(C[NH2+][C@H](CC)c2ccccc2[O-])cc1 ZINC000155179678 1020322314 /nfs/dbraw/zinc/32/23/14/1020322314.db2.gz LNZCCUXMKOOEFN-GOSISDBHSA-N 0 3 326.440 4.372 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1[O-] ZINC000155334733 1020499968 /nfs/dbraw/zinc/49/99/68/1020499968.db2.gz CJUBYAATFYJYQA-DNVCBOLYSA-N 0 3 338.451 4.321 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000725848436 1021542269 /nfs/dbraw/zinc/54/22/69/1021542269.db2.gz SJXBLUCSULOTKO-OAQYLSRUSA-N 0 3 337.394 4.022 20 10 EICDHN CC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1[O-] ZINC000155839000 1022517621 /nfs/dbraw/zinc/51/76/21/1022517621.db2.gz GTNZANAZAMEABR-WBMJQRKESA-N 0 3 333.403 4.350 20 10 EICDHN C[C@@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)c1ccccc1[O-] ZINC000183475134 1022866356 /nfs/dbraw/zinc/86/63/56/1022866356.db2.gz ZGRTWBQUKJNDFI-OAHLLOKOSA-N 0 3 326.440 4.350 20 10 EICDHN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000310108600 1024350324 /nfs/dbraw/zinc/35/03/24/1024350324.db2.gz DQWQGWCIMOVFTQ-YJBOKZPZSA-N 0 3 344.886 4.046 20 10 EICDHN CCc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000165197830 1025045057 /nfs/dbraw/zinc/04/50/57/1025045057.db2.gz XVXBMLUVRRXWOU-AWEZNQCLSA-N 0 3 348.487 4.137 20 10 EICDHN CC[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccc(C)cc1[O-] ZINC000375648319 1025232546 /nfs/dbraw/zinc/23/25/46/1025232546.db2.gz JQCCYMCLKYNPIX-FQEVSTJZSA-N 0 3 335.451 4.342 20 10 EICDHN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cncc(F)c1 ZINC000157515370 1025874407 /nfs/dbraw/zinc/87/44/07/1025874407.db2.gz IQHIVYVCWHVJPJ-INIZCTEOSA-N 0 3 327.447 4.308 20 10 EICDHN CC[C@H]([NH2+][C@@H]1C[C@@H](C(=O)OC)c2ccccc21)c1ccc(C)cc1[O-] ZINC000375663285 1025979717 /nfs/dbraw/zinc/97/97/17/1025979717.db2.gz JKDPKUKXLDFVSS-CEXWTWQISA-N 0 3 339.435 4.143 20 10 EICDHN CC[C@H](c1ccccc1OC)N(C)Cc1ccc(OC)c(OC)c1O ZINC000894514737 1026109170 /nfs/dbraw/zinc/10/91/70/1026109170.db2.gz BRVRYHIZLMXXQO-MRXNPFEDSA-N 0 3 345.439 4.001 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)c([O-])c1 ZINC000186192611 1030254689 /nfs/dbraw/zinc/25/46/89/1030254689.db2.gz ISWRJLVSKYSLEO-LSDHHAIUSA-N 0 3 337.423 4.205 20 10 EICDHN C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])c1nc(-c2ccccc2)no1 ZINC000186192791 1030255128 /nfs/dbraw/zinc/25/51/28/1030255128.db2.gz LMZHNKUPTMKSHJ-CHWSQXEVSA-N 0 3 341.386 4.036 20 10 EICDHN COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c(OC)c1 ZINC000527974954 1030987424 /nfs/dbraw/zinc/98/74/24/1030987424.db2.gz WXNYVWVUJFPNHH-WQGACYEGSA-N 0 3 345.414 4.448 20 10 EICDHN CC[C@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccc(C)cc1[O-] ZINC000528042779 1031056128 /nfs/dbraw/zinc/05/61/28/1031056128.db2.gz ISGQOMOWAKRSIO-PXNSSMCTSA-N 0 3 326.440 4.296 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1[O-] ZINC000280045990 1035144714 /nfs/dbraw/zinc/14/47/14/1035144714.db2.gz JFPWVITWVGGWHN-IBGZPJMESA-N 0 3 338.451 4.068 20 10 EICDHN CC[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccc(C)cc1[O-] ZINC000280044437 1035144766 /nfs/dbraw/zinc/14/47/66/1035144766.db2.gz JFBJDNWGVNAATQ-FQEVSTJZSA-N 0 3 335.451 4.186 20 10 EICDHN CC[C@@H]([NH2+]Cc1cccc(OCCCOC)c1)c1ccc(C)cc1[O-] ZINC000280158860 1035188633 /nfs/dbraw/zinc/18/86/33/1035188633.db2.gz QOMXRVKXQSYXPJ-HXUWFJFHSA-N 0 3 343.467 4.357 20 10 EICDHN CC(C)(C)OC(=O)NCCCCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000698162957 1035897271 /nfs/dbraw/zinc/89/72/71/1035897271.db2.gz LHXYXFQYUICFMT-INIZCTEOSA-N 0 3 348.487 4.054 20 10 EICDHN COCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@@H](C)c1ccccc1 ZINC000761191771 1036010943 /nfs/dbraw/zinc/01/09/43/1036010943.db2.gz BMUNIGZRMCNOLC-AWEZNQCLSA-N 0 3 349.858 4.264 20 10 EICDHN COCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@@H](C)c1ccccc1 ZINC000761191771 1036010963 /nfs/dbraw/zinc/01/09/63/1036010963.db2.gz BMUNIGZRMCNOLC-AWEZNQCLSA-N 0 3 349.858 4.264 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C2(c3ccc(F)cc3)CCC2)c1[O-] ZINC000761198177 1036014051 /nfs/dbraw/zinc/01/40/51/1036014051.db2.gz ONVGAPAJILDDOO-UHFFFAOYSA-N 0 3 335.806 4.362 20 10 EICDHN COc1cc(Cl)cc(CN2CCS[C@@H](c3ccccc3)C2)c1O ZINC000761203384 1036039210 /nfs/dbraw/zinc/03/92/10/1036039210.db2.gz QWGBWIOAEHMYHZ-QGZVFWFLSA-N 0 3 349.883 4.344 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c1[O-] ZINC000761203391 1036040624 /nfs/dbraw/zinc/04/06/24/1036040624.db2.gz RCVUPGNHSZSREB-ZDUSSCGKSA-N 0 3 347.842 4.052 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c1[O-] ZINC000761203391 1036040645 /nfs/dbraw/zinc/04/06/45/1036040645.db2.gz RCVUPGNHSZSREB-ZDUSSCGKSA-N 0 3 347.842 4.052 20 10 EICDHN C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)c1ccccc1[O-] ZINC000272810440 1037303358 /nfs/dbraw/zinc/30/33/58/1037303358.db2.gz CZPNEYZOZONNKL-IAQYHMDHSA-N 0 3 348.240 4.329 20 10 EICDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273508965 1037490394 /nfs/dbraw/zinc/49/03/94/1037490394.db2.gz QLLPUEWSQUHFFS-MJGOQNOKSA-N 0 3 333.378 4.023 20 10 EICDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273508965 1037490408 /nfs/dbraw/zinc/49/04/08/1037490408.db2.gz QLLPUEWSQUHFFS-MJGOQNOKSA-N 0 3 333.378 4.023 20 10 EICDHN CC(C)COc1ccccc1CNCc1ccc2c(c1)CCCN2C ZINC000727645223 1043255081 /nfs/dbraw/zinc/25/50/81/1043255081.db2.gz UPYNDRJMFQRGFX-UHFFFAOYSA-N 0 3 338.495 4.394 20 10 EICDHN CC1CCN(c2ccc(CNCc3n[nH]c4ccccc43)cc2)CC1 ZINC000731041473 1043681470 /nfs/dbraw/zinc/68/14/70/1043681470.db2.gz ASSVETSXPMHQFP-UHFFFAOYSA-N 0 3 334.467 4.089 20 10 EICDHN CC1CCN(c2ccc(CNCc3[nH]nc4ccccc43)cc2)CC1 ZINC000731041473 1043681476 /nfs/dbraw/zinc/68/14/76/1043681476.db2.gz ASSVETSXPMHQFP-UHFFFAOYSA-N 0 3 334.467 4.089 20 10 EICDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC000732204759 1043887384 /nfs/dbraw/zinc/88/73/84/1043887384.db2.gz CLWNUWJXYCPQQD-HXUWFJFHSA-N 0 3 347.405 4.149 20 10 EICDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC000732204759 1043887385 /nfs/dbraw/zinc/88/73/85/1043887385.db2.gz CLWNUWJXYCPQQD-HXUWFJFHSA-N 0 3 347.405 4.149 20 10 EICDHN CC[C@@H]([NH2+]C[C@@](C)(COCc1ccccc1)OC)c1ccccc1[O-] ZINC000702796015 1044005162 /nfs/dbraw/zinc/00/51/62/1044005162.db2.gz MBQWKQIDGAWTKV-CTNGQTDRSA-N 0 3 343.467 4.055 20 10 EICDHN C[C@@H](N[C@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766140399 1044335348 /nfs/dbraw/zinc/33/53/48/1044335348.db2.gz WIBKTBBZBFWMPW-DYESRHJHSA-N 0 3 334.467 4.041 20 10 EICDHN C[C@@](CO)([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccccc1 ZINC000734844506 1044697930 /nfs/dbraw/zinc/69/79/30/1044697930.db2.gz ZWMQMKPWICKMTJ-QFIPXVFZSA-N 0 3 333.431 4.057 20 10 EICDHN CCc1cc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)n[nH]1 ZINC000765991683 1044775298 /nfs/dbraw/zinc/77/52/98/1044775298.db2.gz FTTRBLNVXHJQHO-INIZCTEOSA-N 0 3 326.488 4.203 20 10 EICDHN CCc1cc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)[nH]n1 ZINC000765991683 1044775321 /nfs/dbraw/zinc/77/53/21/1044775321.db2.gz FTTRBLNVXHJQHO-INIZCTEOSA-N 0 3 326.488 4.203 20 10 EICDHN C[C@](O)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1cccs1 ZINC000740016303 1045180332 /nfs/dbraw/zinc/18/03/32/1045180332.db2.gz MXUTZLHDWLQDAG-FQEVSTJZSA-N 0 3 339.460 4.118 20 10 EICDHN CCOc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)cc1C)CCO2 ZINC000766028789 1045256061 /nfs/dbraw/zinc/25/60/61/1045256061.db2.gz GBNKOZYTUIHWEZ-FQEVSTJZSA-N 0 3 340.467 4.073 20 10 EICDHN [O-]c1ccc2ccccc2c1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000238152615 1045402892 /nfs/dbraw/zinc/40/28/92/1045402892.db2.gz HLADSBGEHKGRGM-UHFFFAOYSA-N 0 3 329.403 4.021 20 10 EICDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(N(C)C)cc1 ZINC000790696614 1045560947 /nfs/dbraw/zinc/56/09/47/1045560947.db2.gz UTBMUXBQEZTAFX-GOSISDBHSA-N 0 3 327.428 4.210 20 10 EICDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)cc1O ZINC000768134241 1045723354 /nfs/dbraw/zinc/72/33/54/1045723354.db2.gz QOKAZHNVMQFDQI-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)cc1O ZINC000768134241 1045723367 /nfs/dbraw/zinc/72/33/67/1045723367.db2.gz QOKAZHNVMQFDQI-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN Oc1ccccc1CN(Cc1cnc2ccccc2c1)C[C@@H]1CCCO1 ZINC000768163438 1045729717 /nfs/dbraw/zinc/72/97/17/1045729717.db2.gz YXTSTXLPAMESJQ-FQEVSTJZSA-N 0 3 348.446 4.122 20 10 EICDHN Cc1cc(O)c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000768335585 1045789204 /nfs/dbraw/zinc/78/92/04/1045789204.db2.gz YEZIYTIFWRFXOV-UHFFFAOYSA-N 0 3 326.396 4.082 20 10 EICDHN Oc1cc2c(cc1CNC1(c3nccs3)CCCC1)CCCC2 ZINC000768465715 1045810798 /nfs/dbraw/zinc/81/07/98/1045810798.db2.gz QTMIKIUEYACRJP-UHFFFAOYSA-N 0 3 328.481 4.287 20 10 EICDHN COc1cccc(CN(C)Cc2cc(Cl)cc(Cl)c2)c1O ZINC000768870608 1045850062 /nfs/dbraw/zinc/85/00/62/1045850062.db2.gz FQOXABOUFYWARY-UHFFFAOYSA-N 0 3 326.223 4.340 20 10 EICDHN C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1ccccc1[O-] ZINC000248385396 1045867837 /nfs/dbraw/zinc/86/78/37/1045867837.db2.gz IGKXQFPAQINUBS-YZVOILCLSA-N 0 3 330.497 4.187 20 10 EICDHN CCC[N@H+](Cc1ccc(N(C)C(C)C)nc1)Cc1ccccc1[O-] ZINC000792164493 1045871037 /nfs/dbraw/zinc/87/10/37/1045871037.db2.gz JCDSDZUVBVCKFW-UHFFFAOYSA-N 0 3 327.472 4.044 20 10 EICDHN CCC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)Cc1ccccc1[O-] ZINC000792164493 1045871040 /nfs/dbraw/zinc/87/10/40/1045871040.db2.gz JCDSDZUVBVCKFW-UHFFFAOYSA-N 0 3 327.472 4.044 20 10 EICDHN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000769086465 1045881221 /nfs/dbraw/zinc/88/12/21/1045881221.db2.gz LYIHKHAYGBZHFL-NRFANRHFSA-N 0 3 336.479 4.106 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769309739 1045914427 /nfs/dbraw/zinc/91/44/27/1045914427.db2.gz FYANRGIPAGIVLH-HXUWFJFHSA-N 0 3 333.435 4.093 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769309739 1045914421 /nfs/dbraw/zinc/91/44/21/1045914421.db2.gz FYANRGIPAGIVLH-HXUWFJFHSA-N 0 3 333.435 4.093 20 10 EICDHN CCN(CC)c1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000769482079 1045968113 /nfs/dbraw/zinc/96/81/13/1045968113.db2.gz YIAFTNBIFOCOSB-UHFFFAOYSA-N 0 3 334.467 4.009 20 10 EICDHN CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1C ZINC000769469625 1045986697 /nfs/dbraw/zinc/98/66/97/1045986697.db2.gz BRJMWTDZIACZDY-UWJYYQICSA-N 0 3 338.495 4.364 20 10 EICDHN CCN1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H]1C ZINC000769469625 1045986674 /nfs/dbraw/zinc/98/66/74/1045986674.db2.gz BRJMWTDZIACZDY-UWJYYQICSA-N 0 3 338.495 4.364 20 10 EICDHN COc1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000792890072 1046094763 /nfs/dbraw/zinc/09/47/63/1046094763.db2.gz KJHMVRWCUWIROA-UHFFFAOYSA-N 0 3 338.373 4.070 20 10 EICDHN CN(C)c1ccc(CNCc2cccc(F)c2)c(C(F)(F)F)c1 ZINC000792895952 1046095755 /nfs/dbraw/zinc/09/57/55/1046095755.db2.gz ZQRMPSJOSGWAOR-UHFFFAOYSA-N 0 3 326.337 4.200 20 10 EICDHN CCN(Cc1ccc(Cl)s1)Cc1cc(C)cc(OC)c1O ZINC000916567670 1046096681 /nfs/dbraw/zinc/09/66/81/1046096681.db2.gz GAHCCGRAAGEOIU-UHFFFAOYSA-N 0 3 325.861 4.446 20 10 EICDHN CCN(CC)c1ccc(CNCc2ccnn2-c2ccccc2C)cc1 ZINC000792921546 1046107079 /nfs/dbraw/zinc/10/70/79/1046107079.db2.gz PMBYQGHPIFSZES-UHFFFAOYSA-N 0 3 348.494 4.317 20 10 EICDHN COc1ccsc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000769962747 1046110098 /nfs/dbraw/zinc/11/00/98/1046110098.db2.gz QGAVIEGABCSCKU-CABCVRRESA-N 0 3 346.496 4.005 20 10 EICDHN Cc1ccncc1[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000793043238 1046129220 /nfs/dbraw/zinc/12/92/20/1046129220.db2.gz WEZRDZJRHYSPET-CYBMUJFWSA-N 0 3 337.389 4.326 20 10 EICDHN CN(C)c1ccc(CN2CCC[C@H]2C[C@H](O)c2cccs2)cc1F ZINC000770293936 1046174768 /nfs/dbraw/zinc/17/47/68/1046174768.db2.gz ZTJNSLLOBPSKEQ-YJBOKZPZSA-N 0 3 348.487 4.041 20 10 EICDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000793270470 1046194423 /nfs/dbraw/zinc/19/44/23/1046194423.db2.gz SGMAMVIBGCHCTG-CRAIPNDOSA-N 0 3 329.415 4.356 20 10 EICDHN COc1ccc(CNCc2cc(C(F)(F)F)ccc2Cl)c(O)c1 ZINC000793389464 1046231610 /nfs/dbraw/zinc/23/16/10/1046231610.db2.gz YWTKBXUNIRIBAZ-UHFFFAOYSA-N 0 3 345.748 4.363 20 10 EICDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000771933453 1046525611 /nfs/dbraw/zinc/52/56/11/1046525611.db2.gz JGQMUWJQKWRWJX-UHFFFAOYSA-N 0 3 342.483 4.180 20 10 EICDHN COc1cccc([O-])c1C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000785560269 1046711939 /nfs/dbraw/zinc/71/19/39/1046711939.db2.gz QIOQHSUJFCZUQP-LBPRGKRZSA-N 0 3 339.357 4.313 20 10 EICDHN CCC(O)(CC)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000788274716 1047154711 /nfs/dbraw/zinc/15/47/11/1047154711.db2.gz RKPIYEKOKMOFAI-UHFFFAOYSA-N 0 3 343.467 4.002 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000806172496 1047157178 /nfs/dbraw/zinc/15/71/78/1047157178.db2.gz NENUJVPLMXZOBG-IIBYNOLFSA-N 0 3 343.490 4.235 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000806175148 1047160538 /nfs/dbraw/zinc/16/05/38/1047160538.db2.gz VUQGLNORIMOELC-YVEFUNNKSA-N 0 3 339.357 4.104 20 10 EICDHN CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000788593640 1047242192 /nfs/dbraw/zinc/24/21/92/1047242192.db2.gz HEVWHMDXGMMTQI-UONOGXRCSA-N 0 3 344.421 4.182 20 10 EICDHN CSC1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000788607605 1047246328 /nfs/dbraw/zinc/24/63/28/1047246328.db2.gz VYGLGPJDVPOFKV-JTQLQIEISA-N 0 3 330.291 4.009 20 10 EICDHN [O-]c1ccccc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788972791 1047337504 /nfs/dbraw/zinc/33/75/04/1047337504.db2.gz GHABPIYQBUPSDF-AWEZNQCLSA-N 0 3 337.250 4.068 20 10 EICDHN CCOC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(C)C ZINC000789589366 1047442755 /nfs/dbraw/zinc/44/27/55/1047442755.db2.gz PCBMZNGRGGOOCT-FQEVSTJZSA-N 0 3 343.467 4.122 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)c1[O-] ZINC000789778127 1047474457 /nfs/dbraw/zinc/47/44/57/1047474457.db2.gz DMTJAAASSXFXPM-PKOBYXMFSA-N 0 3 333.859 4.202 20 10 EICDHN Cc1csc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])c1 ZINC000824751060 1047939310 /nfs/dbraw/zinc/93/93/10/1047939310.db2.gz RFNQNDNTMDSROQ-UHFFFAOYSA-N 0 3 326.259 4.123 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2Cc3ccccc3C2)c1[O-] ZINC000808682000 1048036513 /nfs/dbraw/zinc/03/65/13/1048036513.db2.gz LHLWJFYUWYWYCP-AWEZNQCLSA-N 0 3 330.859 4.020 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1[O-] ZINC000808687558 1048040010 /nfs/dbraw/zinc/04/00/10/1048040010.db2.gz SRJVSQKSFKWBOW-GFCCVEGCSA-N 0 3 336.838 4.410 20 10 EICDHN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1OC ZINC000808673009 1048045679 /nfs/dbraw/zinc/04/56/79/1048045679.db2.gz VOTSDIYSRPQBRA-GFCCVEGCSA-N 0 3 335.831 4.222 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)c1[O-] ZINC000808672699 1048046049 /nfs/dbraw/zinc/04/60/49/1048046049.db2.gz RKCVKWMZBFMJIH-RHSMWYFYSA-N 0 3 348.874 4.435 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000808715402 1048061915 /nfs/dbraw/zinc/06/19/15/1048061915.db2.gz CTFRDQMDZHAWJJ-XJKSGUPXSA-N 0 3 347.890 4.340 20 10 EICDHN COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712917 1048062472 /nfs/dbraw/zinc/06/24/72/1048062472.db2.gz JGNBNKYTNKLFPT-HIFRSBDPSA-N 0 3 337.847 4.245 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)c1[O-] ZINC000808718180 1048066420 /nfs/dbraw/zinc/06/64/20/1048066420.db2.gz QCVYTKATPUTABC-LBPRGKRZSA-N 0 3 329.831 4.124 20 10 EICDHN COc1cc(CN(C)[C@@H](C)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000825451225 1048095105 /nfs/dbraw/zinc/09/51/05/1048095105.db2.gz RKGSHBFQAMWJBH-AWEZNQCLSA-N 0 3 328.456 4.286 20 10 EICDHN COc1cc(CN(C)[C@H](C)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000825500910 1048104550 /nfs/dbraw/zinc/10/45/50/1048104550.db2.gz JVMQDULMTPMVKL-CQSZACIVSA-N 0 3 328.456 4.286 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccccc1[O-] ZINC000155110676 1048162394 /nfs/dbraw/zinc/16/23/94/1048162394.db2.gz DTQAPROBIRYQJE-GOSISDBHSA-N 0 3 326.440 4.350 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c1[O-] ZINC000809655181 1048456896 /nfs/dbraw/zinc/45/68/96/1048456896.db2.gz CVUJXEWZQOFZOT-SFHVURJKSA-N 0 3 333.859 4.203 20 10 EICDHN COc1cccc([O-])c1C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000809689947 1048457325 /nfs/dbraw/zinc/45/73/25/1048457325.db2.gz FQORCDQJTBGPPX-FQEVSTJZSA-N 0 3 347.405 4.463 20 10 EICDHN COc1ccc(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)nc1 ZINC000844711564 1048475165 /nfs/dbraw/zinc/47/51/65/1048475165.db2.gz IBZKTSXISRUOON-UHFFFAOYSA-N 0 3 348.446 4.329 20 10 EICDHN COc1ccc(O)c(CN2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000809736480 1048488658 /nfs/dbraw/zinc/48/86/58/1048488658.db2.gz XAUOCSYZWWKSQV-UHFFFAOYSA-N 0 3 327.399 4.219 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCc1cccnc1 ZINC000815557966 1048507582 /nfs/dbraw/zinc/50/75/82/1048507582.db2.gz LSWUUOMKTJUODN-NRFANRHFSA-N 0 3 332.447 4.293 20 10 EICDHN CC(C)[C@@](C)(O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579548 1048519346 /nfs/dbraw/zinc/51/93/46/1048519346.db2.gz PHAUHQCXJPWIRF-FPOVZHCZSA-N 0 3 327.468 4.063 20 10 EICDHN CCc1cc(CN[C@@H](CCc2ccccc2)c2ccccc2O)on1 ZINC000815582529 1048520190 /nfs/dbraw/zinc/52/01/90/1048520190.db2.gz IXIZXIQJRGNVNQ-FQEVSTJZSA-N 0 3 336.435 4.406 20 10 EICDHN C[C@@H]1C[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCO1 ZINC000815590530 1048527464 /nfs/dbraw/zinc/52/74/64/1048527464.db2.gz ZBDFGQNTSWSQTA-LMNJBCLMSA-N 0 3 339.479 4.471 20 10 EICDHN CC[C@H](O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595260 1048529682 /nfs/dbraw/zinc/52/96/82/1048529682.db2.gz MEHNQWUPSHWQHX-AZUAARDMSA-N 0 3 327.468 4.207 20 10 EICDHN COc1ccccc1C1(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815572930 1048537048 /nfs/dbraw/zinc/53/70/48/1048537048.db2.gz SGGYFDKSLWKSBP-MRXNPFEDSA-N 0 3 325.452 4.400 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCSC1 ZINC000815622299 1048547332 /nfs/dbraw/zinc/54/73/32/1048547332.db2.gz RDAPQYFAANRENR-MJGOQNOKSA-N 0 3 327.493 4.409 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000815627485 1048550037 /nfs/dbraw/zinc/55/00/37/1048550037.db2.gz BWULJVCHTVOYAM-SJORKVTESA-N 0 3 342.458 4.325 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209964 1048705631 /nfs/dbraw/zinc/70/56/31/1048705631.db2.gz XSKJYFWJXYFSJN-XHSDSOJGSA-N 0 3 342.405 4.079 20 10 EICDHN COc1ccc(O)c([C@@H](C)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846051601 1048807223 /nfs/dbraw/zinc/80/72/23/1048807223.db2.gz HBJCACMIKWFTFK-PXAZEXFGSA-N 0 3 345.414 4.493 20 10 EICDHN CCOc1cccc(CN[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846051620 1048807282 /nfs/dbraw/zinc/80/72/82/1048807282.db2.gz HMMIYQLSEUAFSU-MRXNPFEDSA-N 0 3 345.414 4.322 20 10 EICDHN COc1ccc(O)c(CNC2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000846114080 1048815078 /nfs/dbraw/zinc/81/50/78/1048815078.db2.gz GOXYEKNWJYRBED-UHFFFAOYSA-N 0 3 337.341 4.199 20 10 EICDHN COc1cccc([C@H](C)NCc2ccc(C)cc2OCC2CC2)c1O ZINC000846151222 1048825237 /nfs/dbraw/zinc/82/52/37/1048825237.db2.gz VRGHFLPBYRRASH-HNNXBMFYSA-N 0 3 341.451 4.349 20 10 EICDHN COC[C@H](N[C@H](C)c1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000846170392 1048828255 /nfs/dbraw/zinc/82/82/55/1048828255.db2.gz KDHLJHZARYQKBM-WBMJQRKESA-N 0 3 335.831 4.093 20 10 EICDHN COc1cccc([C@@H](C)N[C@@H](C)c2ccccc2OC(F)F)c1O ZINC000846135370 1048829696 /nfs/dbraw/zinc/82/96/96/1048829696.db2.gz CHSCGRXJACOPJM-NWDGAFQWSA-N 0 3 337.366 4.414 20 10 EICDHN COc1cccc([C@@H](C)N[C@@H]2CCOc3c(Cl)cccc32)c1O ZINC000846141205 1048830464 /nfs/dbraw/zinc/83/04/64/1048830464.db2.gz FYVSGTXJNUZMRT-IAQYHMDHSA-N 0 3 333.815 4.229 20 10 EICDHN COc1cccc([C@H](C)NCc2csc(Br)c2)c1O ZINC000846139714 1048830674 /nfs/dbraw/zinc/83/06/74/1048830674.db2.gz SIAWAOVBAUERND-VIFPVBQESA-N 0 3 342.258 4.076 20 10 EICDHN COc1cccc([C@H](C)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1O ZINC000846142525 1048831710 /nfs/dbraw/zinc/83/17/10/1048831710.db2.gz VBSIUHDAQCWNBE-SOVGHPHASA-N 0 3 345.414 4.111 20 10 EICDHN COc1cccc([C@H](C)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846204372 1048833241 /nfs/dbraw/zinc/83/32/41/1048833241.db2.gz ZSOGLYXLTOEMQE-BLLLJJGKSA-N 0 3 345.414 4.493 20 10 EICDHN [O-]c1cc(F)c(Cl)cc1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000816555918 1048834430 /nfs/dbraw/zinc/83/44/30/1048834430.db2.gz UHAFDAOKSOCKNJ-UHFFFAOYSA-N 0 3 340.870 4.071 20 10 EICDHN c1cc(N2CCCCC2)ccc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518410 1049101321 /nfs/dbraw/zinc/10/13/21/1049101321.db2.gz JPAHZSBVCAAWGC-LEWJYISDSA-N 0 3 340.511 4.210 20 10 EICDHN Cc1cc(O)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1C(C)C ZINC000811800752 1049269645 /nfs/dbraw/zinc/26/96/45/1049269645.db2.gz BHYFBKJDMXMNPL-MRXNPFEDSA-N 0 3 333.863 4.121 20 10 EICDHN CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000812735370 1049554802 /nfs/dbraw/zinc/55/48/02/1049554802.db2.gz CISBSNUUCXOCIF-QAPCUYQASA-N 0 3 328.431 4.099 20 10 EICDHN CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1[O-] ZINC000812735371 1049555411 /nfs/dbraw/zinc/55/54/11/1049555411.db2.gz CISBSNUUCXOCIF-YJBOKZPZSA-N 0 3 328.431 4.099 20 10 EICDHN CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccccc1[O-] ZINC000763461824 1049565204 /nfs/dbraw/zinc/56/52/04/1049565204.db2.gz FCLURNMFHFZSSF-UHFFFAOYSA-N 0 3 349.478 4.224 20 10 EICDHN Cn1ncc2ccc(C[NH2+]Cc3cc(-c4ccccc4)ccc3[O-])cc21 ZINC000812771529 1049569527 /nfs/dbraw/zinc/56/95/27/1049569527.db2.gz YAJBXTIRUVVTLA-UHFFFAOYSA-N 0 3 343.430 4.236 20 10 EICDHN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773107937 1049583780 /nfs/dbraw/zinc/58/37/80/1049583780.db2.gz RKGLNTKMDZLTRG-ZBFHGGJFSA-N 0 3 344.421 4.031 20 10 EICDHN CCCCCn1cc(CN[C@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000773141011 1049605335 /nfs/dbraw/zinc/60/53/35/1049605335.db2.gz YTJWEGOUDDLJMP-MRXNPFEDSA-N 0 3 328.504 4.299 20 10 EICDHN CCCCCn1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000773141006 1049605619 /nfs/dbraw/zinc/60/56/19/1049605619.db2.gz YTJWEGOUDDLJMP-INIZCTEOSA-N 0 3 328.504 4.299 20 10 EICDHN [O-]c1ccccc1C[NH2+]C1(Cc2ccccc2Br)CC1 ZINC000813792528 1049817449 /nfs/dbraw/zinc/81/74/49/1049817449.db2.gz QWHPCHKNPZOYBT-UHFFFAOYSA-N 0 3 332.241 4.020 20 10 EICDHN CC(C)c1ccc(OCCNCc2cc(F)c(N(C)C)cc2F)cc1 ZINC001177411543 1050207836 /nfs/dbraw/zinc/20/78/36/1050207836.db2.gz HDUVSPPBFNHYNO-UHFFFAOYSA-N 0 3 348.437 4.323 20 10 EICDHN CCCN(CCC)c1ccc(CN[C@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC001178369659 1050446523 /nfs/dbraw/zinc/44/65/23/1050446523.db2.gz MWRLOQHFAVUXJD-IAGOWNOFSA-N 0 3 346.437 4.104 20 10 EICDHN CCSc1cc(CNCc2c(C)c3ccccc3n2C)ccn1 ZINC001178546516 1050498236 /nfs/dbraw/zinc/49/82/36/1050498236.db2.gz UPDOEFCNEMGHEN-UHFFFAOYSA-N 0 3 325.481 4.284 20 10 EICDHN C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccccc1[O-] ZINC000775128443 1050563828 /nfs/dbraw/zinc/56/38/28/1050563828.db2.gz CKLCCRLOYTVOGE-GFCCVEGCSA-N 0 3 325.330 4.184 20 10 EICDHN C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccccc1[O-] ZINC000775129965 1050576845 /nfs/dbraw/zinc/57/68/45/1050576845.db2.gz JDKPDRBTZXCBFC-MRXNPFEDSA-N 0 3 334.419 4.217 20 10 EICDHN Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC001179937840 1050823446 /nfs/dbraw/zinc/82/34/46/1050823446.db2.gz PNRDHGDWWVXOFK-INIZCTEOSA-N 0 3 345.874 4.134 20 10 EICDHN Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC001179937840 1050823448 /nfs/dbraw/zinc/82/34/48/1050823448.db2.gz PNRDHGDWWVXOFK-INIZCTEOSA-N 0 3 345.874 4.134 20 10 EICDHN C[C@@H](NCc1cc(Br)cs1)c1ccc(N(C)C)cc1 ZINC000071307872 1051124905 /nfs/dbraw/zinc/12/49/05/1051124905.db2.gz DRDRFEVFBNQGPA-LLVKDONJSA-N 0 3 339.302 4.427 20 10 EICDHN C[C@@H]([NH2+]CCc1ccc(Br)s1)c1ccccc1[O-] ZINC000183447679 1051126570 /nfs/dbraw/zinc/12/65/70/1051126570.db2.gz SMGIFXRZQINPES-SNVBAGLBSA-N 0 3 326.259 4.110 20 10 EICDHN COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183595167 1051176565 /nfs/dbraw/zinc/17/65/65/1051176565.db2.gz AGVLLJFKRPIZSF-HUUCEWRRSA-N 0 3 331.481 4.480 20 10 EICDHN CCc1cnccc1[C@H](C)NCc1ccc(N(CC)CC)c(F)c1 ZINC000773430317 1051259367 /nfs/dbraw/zinc/25/93/67/1051259367.db2.gz XUULWSDYYDFNKJ-HNNXBMFYSA-N 0 3 329.463 4.480 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775410595 1051275392 /nfs/dbraw/zinc/27/53/92/1051275392.db2.gz AWAVEFMEXPNYFF-DOTOQJQBSA-N 0 3 339.357 4.185 20 10 EICDHN CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1[O-] ZINC000775413088 1051277223 /nfs/dbraw/zinc/27/72/23/1051277223.db2.gz VVTQEZYTBLBLSW-MRXNPFEDSA-N 0 3 347.842 4.448 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@H](c2ccccc2)C2CC2)c1[O-] ZINC001182043161 1051379029 /nfs/dbraw/zinc/37/90/29/1051379029.db2.gz GUGMOJKTSMRTQM-QGZVFWFLSA-N 0 3 331.843 4.338 20 10 EICDHN CCCN1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490226 1051573475 /nfs/dbraw/zinc/57/34/75/1051573475.db2.gz AIRBYUJCEYQYKC-WFASDCNBSA-N 0 3 345.314 4.472 20 10 EICDHN C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H](C)[C@H]1C ZINC001182452507 1051578822 /nfs/dbraw/zinc/57/88/22/1051578822.db2.gz OFYYEMKTNZJHGQ-IKGGRYGDSA-N 0 3 325.452 4.448 20 10 EICDHN C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H](C)[C@H]1C ZINC001182452507 1051578835 /nfs/dbraw/zinc/57/88/35/1051578835.db2.gz OFYYEMKTNZJHGQ-IKGGRYGDSA-N 0 3 325.452 4.448 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000775496229 1051600231 /nfs/dbraw/zinc/60/02/31/1051600231.db2.gz IABWOCJOMMTNQV-YOEHRIQHSA-N 0 3 327.424 4.183 20 10 EICDHN Cc1cc(C)cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774478215 1051608002 /nfs/dbraw/zinc/60/80/02/1051608002.db2.gz BQSPUAWRFZRWIU-IRXDYDNUSA-N 0 3 339.483 4.047 20 10 EICDHN [O-]c1ccccc1C[N@H+](CCCc1cccc(F)c1)C[C@H]1CCCO1 ZINC001192011431 1051612690 /nfs/dbraw/zinc/61/26/90/1051612690.db2.gz CASXMLPIFCJBSE-HXUWFJFHSA-N 0 3 343.442 4.145 20 10 EICDHN [O-]c1ccccc1C[N@@H+](CCCc1cccc(F)c1)C[C@H]1CCCO1 ZINC001192011431 1051612706 /nfs/dbraw/zinc/61/27/06/1051612706.db2.gz CASXMLPIFCJBSE-HXUWFJFHSA-N 0 3 343.442 4.145 20 10 EICDHN CC[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1ccccc1[O-] ZINC000775520353 1051696995 /nfs/dbraw/zinc/69/69/95/1051696995.db2.gz CLJFTOCEWCEINL-GOSISDBHSA-N 0 3 336.435 4.450 20 10 EICDHN CC[C@H]([NH2+]CCCOc1cccc2cccnc21)c1ccccc1[O-] ZINC000775520354 1051697255 /nfs/dbraw/zinc/69/72/55/1051697255.db2.gz CLJFTOCEWCEINL-SFHVURJKSA-N 0 3 336.435 4.450 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)[C@H](OC)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000775526330 1051712057 /nfs/dbraw/zinc/71/20/57/1051712057.db2.gz QSBMUJODRTXUDX-DCPHZVHLSA-N 0 3 329.440 4.218 20 10 EICDHN CN(C)c1ccc(CN2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC001192444687 1051733842 /nfs/dbraw/zinc/73/38/42/1051733842.db2.gz YJBXLMGOPUQMRG-KRWDZBQOSA-N 0 3 330.859 4.059 20 10 EICDHN COc1cc(CN2CC(C)(c3ccccc3)C2)c(O)c(C(C)(C)C)c1 ZINC001183013109 1051763653 /nfs/dbraw/zinc/76/36/53/1051763653.db2.gz YOEZUWVCGHHQSB-UHFFFAOYSA-N 0 3 339.479 4.472 20 10 EICDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775580492 1051885716 /nfs/dbraw/zinc/88/57/16/1051885716.db2.gz CHIOZNQTSOEEIH-HUUCEWRRSA-N 0 3 327.428 4.381 20 10 EICDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)c1[O-] ZINC001184389207 1052002455 /nfs/dbraw/zinc/00/24/55/1052002455.db2.gz WJEOLBXNYJPHHB-XJKSGUPXSA-N 0 3 338.289 4.379 20 10 EICDHN COc1cc(O)c(CN2CCc3cc(C(C)C)ccc3C2)cc1OC ZINC001184418367 1052009168 /nfs/dbraw/zinc/00/91/68/1052009168.db2.gz NDJDGXZIJPHRTC-UHFFFAOYSA-N 0 3 341.451 4.091 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)c([O-])c1 ZINC000184835940 1052246433 /nfs/dbraw/zinc/24/64/33/1052246433.db2.gz ZLKLXXZAGMTFOY-WBVHZDCISA-N 0 3 330.497 4.250 20 10 EICDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1OC(F)F ZINC000184950255 1052330738 /nfs/dbraw/zinc/33/07/38/1052330738.db2.gz ZXRGXIPZMNHBKK-LBPRGKRZSA-N 0 3 337.366 4.161 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c([O-])c1 ZINC000185007847 1052360516 /nfs/dbraw/zinc/36/05/16/1052360516.db2.gz MJIRZPIUHPRFIA-KRWDZBQOSA-N 0 3 325.452 4.100 20 10 EICDHN COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2)cc1 ZINC000185312048 1052577263 /nfs/dbraw/zinc/57/72/63/1052577263.db2.gz SVKYDGGPZURYKR-INIZCTEOSA-N 0 3 340.467 4.029 20 10 EICDHN C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1cc(F)ccc1[O-] ZINC000185406976 1052595993 /nfs/dbraw/zinc/59/59/93/1052595993.db2.gz GFEWKQUMFINDER-RBZFPXEDSA-N 0 3 325.383 4.069 20 10 EICDHN COc1cc(CNCc2cc(F)ccc2OC)c(O)c(C(C)(C)C)c1 ZINC000850254568 1053100476 /nfs/dbraw/zinc/10/04/76/1053100476.db2.gz IKXFQTLTWPZIER-UHFFFAOYSA-N 0 3 347.430 4.136 20 10 EICDHN COC1CC(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000850480640 1053251425 /nfs/dbraw/zinc/25/14/25/1053251425.db2.gz AYSRBTUVPAIZOU-GRERDSQWSA-N 0 3 339.479 4.471 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000850520710 1053277003 /nfs/dbraw/zinc/27/70/03/1053277003.db2.gz GOPAKSKUPQAWDU-PKOBYXMFSA-N 0 3 347.405 4.080 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1[O-] ZINC000850537626 1053301577 /nfs/dbraw/zinc/30/15/77/1053301577.db2.gz WESCVOONCDFRFT-ZANVPECISA-N 0 3 334.204 4.159 20 10 EICDHN CC(C)[C@@H](O)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850553943 1053308995 /nfs/dbraw/zinc/30/89/95/1053308995.db2.gz FIYRGNQUKLCFQC-ORYQWCPZSA-N 0 3 326.484 4.161 20 10 EICDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850554949 1053309456 /nfs/dbraw/zinc/30/94/56/1053309456.db2.gz IQDASXJEOKVVGX-GOEBONIOSA-N 0 3 338.234 4.010 20 10 EICDHN CCCNC(=O)c1cccc(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])c1 ZINC000794796428 1053379459 /nfs/dbraw/zinc/37/94/59/1053379459.db2.gz KMROFSASWWXJGG-IBGZPJMESA-N 0 3 340.467 4.081 20 10 EICDHN CC[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(C)cc1[O-] ZINC000794795164 1053380264 /nfs/dbraw/zinc/38/02/64/1053380264.db2.gz HDAPFABTORLUCS-HXUWFJFHSA-N 0 3 339.479 4.490 20 10 EICDHN CC[C@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccc(C)cc1[O-] ZINC000794798682 1053385123 /nfs/dbraw/zinc/38/51/23/1053385123.db2.gz YOPGTOVMFCJEMX-SFHVURJKSA-N 0 3 327.472 4.183 20 10 EICDHN CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000794791924 1053386645 /nfs/dbraw/zinc/38/66/45/1053386645.db2.gz COQGXZUBASGBRS-KRWDZBQOSA-N 0 3 329.440 4.001 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794794387 1053387761 /nfs/dbraw/zinc/38/77/61/1053387761.db2.gz MXHLITCALIKGGI-YOEHRIQHSA-N 0 3 327.424 4.274 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN(c2cccc(OC)c2)C1)c1ccc(C)cc1[O-] ZINC000794807021 1053401531 /nfs/dbraw/zinc/40/15/31/1053401531.db2.gz JFEVQCHOQPFVJY-JXFKEZNVSA-N 0 3 340.467 4.029 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccc(C)cc1[O-] ZINC000794807801 1053414989 /nfs/dbraw/zinc/41/49/89/1053414989.db2.gz LSZIZVQMCRHNPB-QZTJIDSGSA-N 0 3 348.437 4.322 20 10 EICDHN CC[C@@H]([NH2+][C@@H](CCC(=O)OC)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794811409 1053415808 /nfs/dbraw/zinc/41/58/08/1053415808.db2.gz QZASKXFBCOGZEV-MOPGFXCFSA-N 0 3 341.451 4.436 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(C)cc1[O-] ZINC000794815270 1053422334 /nfs/dbraw/zinc/42/23/34/1053422334.db2.gz JPQRSLNPLUXAOW-FUHWJXTLSA-N 0 3 337.822 4.267 20 10 EICDHN CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794812350 1053428243 /nfs/dbraw/zinc/42/82/43/1053428243.db2.gz WCOIGSOCNZFLIC-MDASCCDHSA-N 0 3 331.431 4.393 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C)cc1[O-] ZINC000794816985 1053429992 /nfs/dbraw/zinc/42/99/92/1053429992.db2.gz SGXCOFMXQBDNIF-MOPGFXCFSA-N 0 3 344.499 4.065 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccc(C)cc1[O-] ZINC000794820222 1053435514 /nfs/dbraw/zinc/43/55/14/1053435514.db2.gz ZFUFMIXCZDVWMP-RDJZCZTQSA-N 0 3 337.822 4.267 20 10 EICDHN CC[C@H]([NH2+][C@H](C(C)C)[C@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794829731 1053441849 /nfs/dbraw/zinc/44/18/49/1053441849.db2.gz WOLPSNATBWOYTN-CEWLAPEOSA-N 0 3 327.468 4.500 20 10 EICDHN CN(C)c1ccc(CN[C@H]2CSCCc3ccccc32)cc1F ZINC000765473127 1053562135 /nfs/dbraw/zinc/56/21/35/1053562135.db2.gz CEXKULGIHRMTOC-SFHVURJKSA-N 0 3 330.472 4.012 20 10 EICDHN Cc1ccc([C@H](C)N[C@@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000853240516 1053658010 /nfs/dbraw/zinc/65/80/10/1053658010.db2.gz HNPRCAABKFDQTD-MAUKXSAKSA-N 0 3 333.435 4.224 20 10 EICDHN C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000866409634 1053720084 /nfs/dbraw/zinc/72/00/84/1053720084.db2.gz PIERJMVODPBNGM-HWPZZCPQSA-N 0 3 341.785 4.098 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(OC)c1OC ZINC000866506977 1053755029 /nfs/dbraw/zinc/75/50/29/1053755029.db2.gz AFXZZVQBBVEHLP-HZPDHXFCSA-N 0 3 327.424 4.138 20 10 EICDHN CCOc1cccc(CN(C)Cc2ccccc2N2CCCC2)c1O ZINC000121233499 1053824681 /nfs/dbraw/zinc/82/46/81/1053824681.db2.gz XUQSHCNDMZFQJD-UHFFFAOYSA-N 0 3 340.467 4.023 20 10 EICDHN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000765641340 1053827736 /nfs/dbraw/zinc/82/77/36/1053827736.db2.gz GABHUKMFTFOOTO-ZDUSSCGKSA-N 0 3 348.874 4.274 20 10 EICDHN COc1ccc(N2CCN(CC[C@H]3CCC[C@@H](C)C3)CC2)c(OC)c1 ZINC001197104600 1053837165 /nfs/dbraw/zinc/83/71/65/1053837165.db2.gz ILQIPXGCUBUALG-QZTJIDSGSA-N 0 3 346.515 4.042 20 10 EICDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000122745472 1054027992 /nfs/dbraw/zinc/02/79/92/1054027992.db2.gz CTFNKJCEQRDFKW-OAHLLOKOSA-N 0 3 328.504 4.172 20 10 EICDHN CCc1nc(C)c([C@@H](C)NCc2ccc3c(c2)CCCN3C)s1 ZINC000122916748 1054059545 /nfs/dbraw/zinc/05/95/45/1054059545.db2.gz VVOMIOIIHOCEHC-CYBMUJFWSA-N 0 3 329.513 4.247 20 10 EICDHN CCOc1cncc(CNCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000856769147 1054105276 /nfs/dbraw/zinc/10/52/76/1054105276.db2.gz IEHRUJDAKFCVNC-UHFFFAOYSA-N 0 3 339.483 4.006 20 10 EICDHN C[C@@H](NCC(=O)Nc1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000775835079 1054114905 /nfs/dbraw/zinc/11/49/05/1054114905.db2.gz DVUVVDZGXOCINQ-MRXNPFEDSA-N 0 3 347.462 4.195 20 10 EICDHN Cc1noc(C)c1C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265650798 1054217892 /nfs/dbraw/zinc/21/78/92/1054217892.db2.gz NCUPBKJSYBDMPQ-AWEZNQCLSA-N 0 3 336.435 4.385 20 10 EICDHN Oc1cccc2c1[C@@H](NCc1cc(C(F)(F)F)cc(Cl)n1)CC2 ZINC000872117758 1054398717 /nfs/dbraw/zinc/39/87/17/1054398717.db2.gz VEMVLARYYPGNMC-LBPRGKRZSA-N 0 3 342.748 4.237 20 10 EICDHN CCN(CC)c1ccc(CNCc2cn(C)nc2C2CCCC2)cc1 ZINC001199403675 1054406762 /nfs/dbraw/zinc/40/67/62/1054406762.db2.gz YNNIHGGGDUZXRS-UHFFFAOYSA-N 0 3 340.515 4.214 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@H]1CCCOC1 ZINC000858445541 1054492836 /nfs/dbraw/zinc/49/28/36/1054492836.db2.gz MQHDNBIDEHISNZ-TZIWHRDSSA-N 0 3 339.479 4.472 20 10 EICDHN Cc1ncccc1CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000858519322 1054507259 /nfs/dbraw/zinc/50/72/59/1054507259.db2.gz ZOCIGLWXJGOCMT-HNNXBMFYSA-N 0 3 327.447 4.370 20 10 EICDHN C[C@@H]([NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccccc1[O-] ZINC000858574438 1054522810 /nfs/dbraw/zinc/52/28/10/1054522810.db2.gz KRVWZXIGDAFGFJ-BDJLRTHQSA-N 0 3 340.250 4.473 20 10 EICDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000126365176 1055028784 /nfs/dbraw/zinc/02/87/84/1055028784.db2.gz QVDSNQFSARAKST-HNNXBMFYSA-N 0 3 343.446 4.070 20 10 EICDHN Cc1c(CNCc2ccc(N3CCC(C)CC3)cc2)ccnc1F ZINC000862277405 1055044144 /nfs/dbraw/zinc/04/41/44/1055044144.db2.gz YOUQGVKZHPSHKW-UHFFFAOYSA-N 0 3 327.447 4.055 20 10 EICDHN Cc1cccc([O-])c1C[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336612 1055044359 /nfs/dbraw/zinc/04/43/59/1055044359.db2.gz LCBOETKVNHNHCW-YLJYHZDGSA-N 0 3 329.415 4.192 20 10 EICDHN Cc1cccc([O-])c1C[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877336612 1055044374 /nfs/dbraw/zinc/04/43/74/1055044374.db2.gz LCBOETKVNHNHCW-YLJYHZDGSA-N 0 3 329.415 4.192 20 10 EICDHN CC[C@@H](NCc1ccc(OC)cc1OC)c1ccc(N(C)C)cc1 ZINC000118960667 1055084933 /nfs/dbraw/zinc/08/49/33/1055084933.db2.gz HGOXFXZXARFYDC-LJQANCHMSA-N 0 3 328.456 4.011 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001203555812 1055099039 /nfs/dbraw/zinc/09/90/39/1055099039.db2.gz GRNKNRGZNAPWEA-RBBKRZOGSA-N 0 3 337.463 4.004 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001203555812 1055099053 /nfs/dbraw/zinc/09/90/53/1055099053.db2.gz GRNKNRGZNAPWEA-RBBKRZOGSA-N 0 3 337.463 4.004 20 10 EICDHN COc1ccc(CN[C@H](C)c2ccccc2O)c(Br)c1 ZINC000877755982 1055114808 /nfs/dbraw/zinc/11/48/08/1055114808.db2.gz WKBBXOCSLHNYJA-LLVKDONJSA-N 0 3 336.229 4.014 20 10 EICDHN COc1ccccc1[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])OC(C)C ZINC000186381457 1055417870 /nfs/dbraw/zinc/41/78/70/1055417870.db2.gz ASVMNQGXJZTGLB-XOBRGWDASA-N 0 3 347.430 4.357 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1Cc1ccccc1 ZINC000379641502 1059709129 /nfs/dbraw/zinc/70/91/29/1059709129.db2.gz DABPEDHBYNHZSV-NSISKUIASA-N 0 3 336.479 4.022 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCN1Cc1ccccc1 ZINC000379649813 1059746750 /nfs/dbraw/zinc/74/67/50/1059746750.db2.gz PUGPFGWSOHKWKV-NVXWUHKLSA-N 0 3 344.886 4.188 20 10 EICDHN Cc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766401594 1060328918 /nfs/dbraw/zinc/32/89/18/1060328918.db2.gz SVEVOCAFTOYRQM-AVRDEDQJSA-N 0 3 338.495 4.370 20 10 EICDHN COC[C@H](NCc1ccc(N2CCCCC2)c(C)c1)c1ccccc1 ZINC001168811574 1060413462 /nfs/dbraw/zinc/41/34/62/1060413462.db2.gz AIYYCNQTUHOSQV-NRFANRHFSA-N 0 3 338.495 4.463 20 10 EICDHN Cc1ccc(C)n1-c1ccc(N2CCCc3ccc(CN)nc32)cc1 ZINC001169592320 1060865349 /nfs/dbraw/zinc/86/53/49/1060865349.db2.gz MSTLKEUWKFGYFR-UHFFFAOYSA-N 0 3 332.451 4.032 20 10 EICDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(Br)s2)c1 ZINC000038018369 213189674 /nfs/dbraw/zinc/18/96/74/213189674.db2.gz KPAVHTANRLPDLG-JTQLQIEISA-N 0 3 326.259 4.375 20 10 EICDHN Cc1ccc(O)c([C@H](C)NCc2ccc(Br)s2)c1 ZINC000038018369 213189676 /nfs/dbraw/zinc/18/96/76/213189676.db2.gz KPAVHTANRLPDLG-JTQLQIEISA-N 0 3 326.259 4.375 20 10 EICDHN C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729680991 1032139474 /nfs/dbraw/zinc/13/94/74/1032139474.db2.gz LTEXRFFXWZWXDW-INIZCTEOSA-N 0 3 333.431 4.486 20 10 EICDHN CC[C@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1C)c1ccccc1[O-] ZINC000154966376 1020147741 /nfs/dbraw/zinc/14/77/41/1020147741.db2.gz ANQQTVJZISTUDP-NRFANRHFSA-N 0 3 349.478 4.495 20 10 EICDHN CC[C@@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)c1ccccc1[O-] ZINC000154978084 1020163551 /nfs/dbraw/zinc/16/35/51/1020163551.db2.gz SKJJXMNKAKQKMS-GOSISDBHSA-N 0 3 326.440 4.228 20 10 EICDHN Cc1ccc([C@@H](C)NCc2nc3cc(Cl)ccc3n2C)c(O)c1C ZINC000275322070 1020419055 /nfs/dbraw/zinc/41/90/55/1020419055.db2.gz LFDRVDLQBDYIQP-CYBMUJFWSA-N 0 3 343.858 4.400 20 10 EICDHN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000163895746 1022420539 /nfs/dbraw/zinc/42/05/39/1022420539.db2.gz OBEOXUMCFHFGLW-SJORKVTESA-N 0 3 326.488 4.212 20 10 EICDHN Cc1ccc([C@H](C)N[C@H](c2cnn(C)c2)c2ccccc2)c(O)c1C ZINC000363855260 1022857033 /nfs/dbraw/zinc/85/70/33/1022857033.db2.gz NIAFUAAPEIKGLW-JXFKEZNVSA-N 0 3 335.451 4.183 20 10 EICDHN C[C@H]([NH2+]CCc1ccc(Br)s1)c1ccccc1[O-] ZINC000183447659 1022864447 /nfs/dbraw/zinc/86/44/47/1022864447.db2.gz SMGIFXRZQINPES-JTQLQIEISA-N 0 3 326.259 4.110 20 10 EICDHN C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208056 1023001408 /nfs/dbraw/zinc/00/14/08/1023001408.db2.gz NSJWNWNQGQRNPL-FUHWJXTLSA-N 0 3 342.458 4.094 20 10 EICDHN C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000311222994 1023007935 /nfs/dbraw/zinc/00/79/35/1023007935.db2.gz VSSLZPKTRBHDSV-WMZOPIPTSA-N 0 3 342.458 4.094 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c([O-])c1 ZINC000185318532 1023033268 /nfs/dbraw/zinc/03/32/68/1023033268.db2.gz XUIWMRNRCHZWJS-CQSZACIVSA-N 0 3 330.497 4.319 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)Cc1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC000364348816 1023657883 /nfs/dbraw/zinc/65/78/83/1023657883.db2.gz VAXLWORGQMGNES-WMLDXEAASA-N 0 3 337.423 4.114 20 10 EICDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000377706340 1023699438 /nfs/dbraw/zinc/69/94/38/1023699438.db2.gz YVCDKXHHWBDNGP-CYBMUJFWSA-N 0 3 337.370 4.044 20 10 EICDHN CC[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccccc1[O-] ZINC000156634345 1025359669 /nfs/dbraw/zinc/35/96/69/1025359669.db2.gz WTKHHMOKUWCINO-HNNXBMFYSA-N 0 3 339.464 4.194 20 10 EICDHN C[C@@H]([NH2+]Cc1cc(Br)cs1)c1cc(F)ccc1[O-] ZINC000094618282 1026023691 /nfs/dbraw/zinc/02/36/91/1026023691.db2.gz ZVTDPSWUOBTYGY-MRVPVSSYSA-N 0 3 330.222 4.206 20 10 EICDHN COc1ccc(CN2CC3(CCC3)[C@H]2c2ccccc2)c(O)c1OC ZINC000894611723 1026256506 /nfs/dbraw/zinc/25/65/06/1026256506.db2.gz YXKUUUDERDMRSL-HXUWFJFHSA-N 0 3 339.435 4.137 20 10 EICDHN CCN(CC)c1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924810 1027766510 /nfs/dbraw/zinc/76/65/10/1027766510.db2.gz VVSNFGWXXSBZSV-MRXNPFEDSA-N 0 3 339.483 4.342 20 10 EICDHN Cc1c2ccccc2n(C)c1CNCc1c[nH]nc1-c1ccccc1 ZINC000475191455 1029368938 /nfs/dbraw/zinc/36/89/38/1029368938.db2.gz DCNZRNHBTOYLPD-UHFFFAOYSA-N 0 3 330.435 4.167 20 10 EICDHN CCn1nccc1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000278719274 1029730954 /nfs/dbraw/zinc/73/09/54/1029730954.db2.gz KQEBPQIPPJZRPS-UHFFFAOYSA-N 0 3 335.451 4.141 20 10 EICDHN COc1ccc(O)c([C@H](C)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000185152487 1030122800 /nfs/dbraw/zinc/12/28/00/1030122800.db2.gz LEBYOCSQHNDDOS-BTYIYWSLSA-N 0 3 334.419 4.236 20 10 EICDHN COc1cc([C@@H](C)NCc2c(C)c3ccccc3n2C)ccc1F ZINC000530360366 1030337287 /nfs/dbraw/zinc/33/72/87/1030337287.db2.gz RIVPRFBOKKRTAO-CQSZACIVSA-N 0 3 326.415 4.485 20 10 EICDHN C[S@@](=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000093319355 1031861837 /nfs/dbraw/zinc/86/18/37/1031861837.db2.gz FIBUAKGCFPTDFP-DEOSSOPVSA-N 0 3 343.492 4.074 20 10 EICDHN C[S@@](=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000093319355 1031861840 /nfs/dbraw/zinc/86/18/40/1031861840.db2.gz FIBUAKGCFPTDFP-DEOSSOPVSA-N 0 3 343.492 4.074 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C2CC(C)(c3ccccc3)C2)c1[O-] ZINC000761208353 1036056643 /nfs/dbraw/zinc/05/66/43/1036056643.db2.gz ZMDORTHLGWZZAZ-UHFFFAOYSA-N 0 3 331.843 4.264 20 10 EICDHN CCc1nc2c(s1)[C@H](N(C)Cc1cc(C)cc(OC)c1O)CCC2 ZINC000164510868 1036164832 /nfs/dbraw/zinc/16/48/32/1036164832.db2.gz JRMDWFVBCYSPGA-OAHLLOKOSA-N 0 3 346.496 4.238 20 10 EICDHN Cc1ccc(C(C)(C)[NH2+]Cc2cc(Br)cc(C)c2[O-])cn1 ZINC000761224819 1036263341 /nfs/dbraw/zinc/26/33/41/1036263341.db2.gz ATSAXNGYMGEVJP-UHFFFAOYSA-N 0 3 349.272 4.191 20 10 EICDHN CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000761228128 1036283241 /nfs/dbraw/zinc/28/32/41/1036283241.db2.gz HCMDZAYAFXNEFG-NSHDSACASA-N 0 3 340.183 4.284 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1[O-] ZINC000761227878 1036292440 /nfs/dbraw/zinc/29/24/40/1036292440.db2.gz CWEULFJJIDCRGT-UHFFFAOYSA-N 0 3 345.870 4.274 20 10 EICDHN Cc1cccc([C@H]2CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)n1 ZINC000164874238 1036425682 /nfs/dbraw/zinc/42/56/82/1036425682.db2.gz MJGPESYAAKJZOS-GOSISDBHSA-N 0 3 340.467 4.436 20 10 EICDHN Cc1sc(C[N@@H+](C)Cc2ccccc2[O-])cc1Br ZINC001232295955 1036941470 /nfs/dbraw/zinc/94/14/70/1036941470.db2.gz PUQLVWOMKXTVLH-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN Cc1sc(C[N@H+](C)Cc2ccccc2[O-])cc1Br ZINC001232295955 1036941491 /nfs/dbraw/zinc/94/14/91/1036941491.db2.gz PUQLVWOMKXTVLH-UHFFFAOYSA-N 0 3 326.259 4.157 20 10 EICDHN COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc(OC)c1OC ZINC000273385097 1037446972 /nfs/dbraw/zinc/44/69/72/1037446972.db2.gz JIZQDRCWDDYYJC-KBPBESRZSA-N 0 3 345.439 4.138 20 10 EICDHN CCCOc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000151069153 1038629865 /nfs/dbraw/zinc/62/98/65/1038629865.db2.gz NDGRYCFKKKAUSY-INIZCTEOSA-N 0 3 342.483 4.401 20 10 EICDHN COc1cccc(-c2cc(CN[C@@H](C)c3ccc(C)cc3O)on2)c1 ZINC000903291854 1041003089 /nfs/dbraw/zinc/00/30/89/1041003089.db2.gz LJWBYFWLGGINGI-AWEZNQCLSA-N 0 3 338.407 4.215 20 10 EICDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(Nc2nc(C)cs2)CC1 ZINC000366674575 1041837010 /nfs/dbraw/zinc/83/70/10/1041837010.db2.gz BZWRJHHLTAIOPA-INIZCTEOSA-N 0 3 331.485 4.185 20 10 EICDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(Br)cc1 ZINC000313263181 1042748957 /nfs/dbraw/zinc/74/89/57/1042748957.db2.gz ZDYNYFBAPAAKGS-ABAIWWIYSA-N 0 3 332.241 4.493 20 10 EICDHN CCC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@@H]1CCCCO1 ZINC000730255942 1043486696 /nfs/dbraw/zinc/48/66/96/1043486696.db2.gz NXMCPNOMCWSMRK-SFHVURJKSA-N 0 3 343.467 4.335 20 10 EICDHN CCC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C[C@@H]1CCCCO1 ZINC000730255942 1043486702 /nfs/dbraw/zinc/48/67/02/1043486702.db2.gz NXMCPNOMCWSMRK-SFHVURJKSA-N 0 3 343.467 4.335 20 10 EICDHN Oc1ccccc1CN(Cc1nnc(-c2ccccc2)o1)C1CCCC1 ZINC000731845492 1043833752 /nfs/dbraw/zinc/83/37/52/1043833752.db2.gz AZNHUQJRUZMJKL-UHFFFAOYSA-N 0 3 349.434 4.387 20 10 EICDHN C[N@H+](CCOc1c(Cl)cccc1Cl)Cc1ccccc1[O-] ZINC000731843791 1043834228 /nfs/dbraw/zinc/83/42/28/1043834228.db2.gz WPYNALIKDZTAGH-UHFFFAOYSA-N 0 3 326.223 4.210 20 10 EICDHN C[N@@H+](CCOc1c(Cl)cccc1Cl)Cc1ccccc1[O-] ZINC000731843791 1043834229 /nfs/dbraw/zinc/83/42/29/1043834229.db2.gz WPYNALIKDZTAGH-UHFFFAOYSA-N 0 3 326.223 4.210 20 10 EICDHN CCOc1ccc(CNC2(c3nc(C)cs3)CCCC2)c(O)c1 ZINC000732986049 1044059617 /nfs/dbraw/zinc/05/96/17/1044059617.db2.gz VISCLRFRIUZRDT-UHFFFAOYSA-N 0 3 332.469 4.115 20 10 EICDHN CCN(C)c1ccc([C@@H](C)N[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000766136014 1044324098 /nfs/dbraw/zinc/32/40/98/1044324098.db2.gz GVACKCQUWVHXGO-XMSQKQJNSA-N 0 3 348.494 4.431 20 10 EICDHN C[C@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766140411 1044334972 /nfs/dbraw/zinc/33/49/72/1044334972.db2.gz WIBKTBBZBFWMPW-UWJYYQICSA-N 0 3 334.467 4.041 20 10 EICDHN Cc1cccc(CN[C@@H]2CCOc3c(Br)cccc32)c1O ZINC000282686377 1044378222 /nfs/dbraw/zinc/37/82/22/1044378222.db2.gz IPIDRAZMTZCXRM-OAHLLOKOSA-N 0 3 348.240 4.077 20 10 EICDHN Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000734851492 1044702309 /nfs/dbraw/zinc/70/23/09/1044702309.db2.gz BQUMXIISXROZQU-FQEVSTJZSA-N 0 3 345.446 4.325 20 10 EICDHN COc1cc(CN[C@@H]2CCCc3cccnc32)c(O)c(C(C)(C)C)c1 ZINC000922875050 1045012468 /nfs/dbraw/zinc/01/24/68/1045012468.db2.gz GHLHYFUQWAXDIY-GOSISDBHSA-N 0 3 340.467 4.261 20 10 EICDHN Cc1nccn1CCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000767396203 1045525980 /nfs/dbraw/zinc/52/59/80/1045525980.db2.gz BASWVFWZGGZFRJ-UHFFFAOYSA-N 0 3 327.472 4.122 20 10 EICDHN Cc1nccn1CCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000767396203 1045525991 /nfs/dbraw/zinc/52/59/91/1045525991.db2.gz BASWVFWZGGZFRJ-UHFFFAOYSA-N 0 3 327.472 4.122 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+](CCO)Cc1ccccc1 ZINC000768142744 1045718489 /nfs/dbraw/zinc/71/84/89/1045718489.db2.gz NSGOQNKPNISZCX-UHFFFAOYSA-N 0 3 333.431 4.054 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+](CCO)Cc1ccccc1 ZINC000768142744 1045718500 /nfs/dbraw/zinc/71/85/00/1045718500.db2.gz NSGOQNKPNISZCX-UHFFFAOYSA-N 0 3 333.431 4.054 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1cncc2ccccc21)C[C@@H]1CCCO1 ZINC000768162512 1045732132 /nfs/dbraw/zinc/73/21/32/1045732132.db2.gz NIKMVCWLYIPRCN-FQEVSTJZSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1cncc2ccccc21)C[C@@H]1CCCO1 ZINC000768162512 1045732141 /nfs/dbraw/zinc/73/21/41/1045732141.db2.gz NIKMVCWLYIPRCN-FQEVSTJZSA-N 0 3 348.446 4.122 20 10 EICDHN COCCN(Cc1cccs1)Cc1ccc(N2CCCCC2)cc1 ZINC000768197036 1045752695 /nfs/dbraw/zinc/75/26/95/1045752695.db2.gz HRWFXKYMAHKWPS-UHFFFAOYSA-N 0 3 344.524 4.387 20 10 EICDHN CC[C@@H](N[C@H]1CCOc2ccc(OC)cc21)c1ccc(N(C)C)cc1 ZINC000768285350 1045777829 /nfs/dbraw/zinc/77/78/29/1045777829.db2.gz LGVNSKDBTXLWJI-UXHICEINSA-N 0 3 340.467 4.326 20 10 EICDHN COc1cc(O)c(CN2C[C@@H](C)C[C@H]2c2ccccc2F)cc1OC ZINC000768464833 1045810978 /nfs/dbraw/zinc/81/09/78/1045810978.db2.gz BCLSYIHIOJFAIW-GUYCJALGSA-N 0 3 345.414 4.132 20 10 EICDHN COCc1ccc([C@@H]2CCCN2Cc2cc(Cl)cc(C)c2O)o1 ZINC000768541725 1045818583 /nfs/dbraw/zinc/81/85/83/1045818583.db2.gz QSZLYYRBUKLIAV-INIZCTEOSA-N 0 3 335.831 4.431 20 10 EICDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1[O-] ZINC000792191952 1045876500 /nfs/dbraw/zinc/87/65/00/1045876500.db2.gz GMEHJMQNIKXEPD-OAHLLOKOSA-N 0 3 339.863 4.026 20 10 EICDHN COc1ccc(C[N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])cc1O ZINC000769016837 1045877255 /nfs/dbraw/zinc/87/72/55/1045877255.db2.gz JZOSVXKARFLUFV-UHFFFAOYSA-N 0 3 349.430 4.405 20 10 EICDHN COc1ccc(C[N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])cc1O ZINC000769016837 1045877258 /nfs/dbraw/zinc/87/72/58/1045877258.db2.gz JZOSVXKARFLUFV-UHFFFAOYSA-N 0 3 349.430 4.405 20 10 EICDHN CCC[N@@H+](Cc1ccc(OC)c(OCC)c1)Cc1ccccc1[O-] ZINC000769200670 1045892683 /nfs/dbraw/zinc/89/26/83/1045892683.db2.gz IEZBWIYWRGFIET-UHFFFAOYSA-N 0 3 329.440 4.212 20 10 EICDHN CCC[N@H+](Cc1ccc(OC)c(OCC)c1)Cc1ccccc1[O-] ZINC000769200670 1045892677 /nfs/dbraw/zinc/89/26/77/1045892677.db2.gz IEZBWIYWRGFIET-UHFFFAOYSA-N 0 3 329.440 4.212 20 10 EICDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000769209446 1045894269 /nfs/dbraw/zinc/89/42/69/1045894269.db2.gz BZUXYQURAIZWID-LAUBAEHRSA-N 0 3 341.451 4.001 20 10 EICDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000769209446 1045894276 /nfs/dbraw/zinc/89/42/76/1045894276.db2.gz BZUXYQURAIZWID-LAUBAEHRSA-N 0 3 341.451 4.001 20 10 EICDHN CCOc1ccc(C[NH+]2CCC(c3cccc(OC)c3)CC2)c([O-])c1 ZINC000769225618 1045895544 /nfs/dbraw/zinc/89/55/44/1045895544.db2.gz MTNVLQDTVBCJMB-UHFFFAOYSA-N 0 3 341.451 4.179 20 10 EICDHN CCN1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])[C@H](C)C1 ZINC000769482765 1045971382 /nfs/dbraw/zinc/97/13/82/1045971382.db2.gz DYWYWNIQRSLXSU-UTKZUKDTSA-N 0 3 338.495 4.221 20 10 EICDHN CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2[O-])[C@H](C)C1 ZINC000769482765 1045971390 /nfs/dbraw/zinc/97/13/90/1045971390.db2.gz DYWYWNIQRSLXSU-UTKZUKDTSA-N 0 3 338.495 4.221 20 10 EICDHN C[C@H](Cc1ccccc1Cl)N1CCCc2cc(O)c(O)cc2C1 ZINC001170288902 1045991120 /nfs/dbraw/zinc/99/11/20/1045991120.db2.gz ZAZIMZIZANAHLZ-CYBMUJFWSA-N 0 3 331.843 4.131 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000769493299 1045994769 /nfs/dbraw/zinc/99/47/69/1045994769.db2.gz SMNDVCJAVUOGJX-SFHVURJKSA-N 0 3 339.435 4.028 20 10 EICDHN CCOc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000769493299 1045994788 /nfs/dbraw/zinc/99/47/88/1045994788.db2.gz SMNDVCJAVUOGJX-SFHVURJKSA-N 0 3 339.435 4.028 20 10 EICDHN C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1cccc(O)c1 ZINC000792970311 1046119523 /nfs/dbraw/zinc/11/95/23/1046119523.db2.gz SMTJQWVCWBSGOA-LBPRGKRZSA-N 0 3 338.373 4.328 20 10 EICDHN COc1cc(Cl)cc(CN(C)Cc2ccccc2SC)c1O ZINC000793234244 1046182374 /nfs/dbraw/zinc/18/23/74/1046182374.db2.gz YBXZLTNHLMWFDD-UHFFFAOYSA-N 0 3 337.872 4.408 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000770506134 1046209235 /nfs/dbraw/zinc/20/92/35/1046209235.db2.gz UGMHGANRJBYARS-HNNXBMFYSA-N 0 3 331.843 4.337 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000770506134 1046209252 /nfs/dbraw/zinc/20/92/52/1046209252.db2.gz UGMHGANRJBYARS-HNNXBMFYSA-N 0 3 331.843 4.337 20 10 EICDHN Cc1ccncc1CN(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000793338280 1046211049 /nfs/dbraw/zinc/21/10/49/1046211049.db2.gz DMYRMKQIIZMPQL-UHFFFAOYSA-N 0 3 348.446 4.307 20 10 EICDHN COc1cc(O)c(CN2CC=C(c3cccc(C)c3)CC2)cc1OC ZINC000770661068 1046241800 /nfs/dbraw/zinc/24/18/00/1046241800.db2.gz LYZOTRWJTFYNHU-UHFFFAOYSA-N 0 3 339.435 4.007 20 10 EICDHN CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000771891186 1046522133 /nfs/dbraw/zinc/52/21/33/1046522133.db2.gz ZBTAXGPQAGWCBF-TZIWHRDSSA-N 0 3 325.452 4.352 20 10 EICDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000771934895 1046527832 /nfs/dbraw/zinc/52/78/32/1046527832.db2.gz GKQXOLOCAQXGAD-UHFFFAOYSA-N 0 3 348.874 4.055 20 10 EICDHN COC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000786915995 1046881477 /nfs/dbraw/zinc/88/14/77/1046881477.db2.gz GJHWHLJIMSASIR-LIRRHRJNSA-N 0 3 332.875 4.444 20 10 EICDHN CC(C)[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccnn1C ZINC000788076987 1047103585 /nfs/dbraw/zinc/10/35/85/1047103585.db2.gz RAWCFWUKYHOBHV-FQEVSTJZSA-N 0 3 349.478 4.322 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000788563020 1047225256 /nfs/dbraw/zinc/22/52/56/1047225256.db2.gz JEKRNSSUFZRFIK-IRXDYDNUSA-N 0 3 342.458 4.325 20 10 EICDHN Cc1noc(C2CCC([NH2+][C@H](C)c3c(C)cc(C)cc3[O-])CC2)n1 ZINC000788670573 1047269894 /nfs/dbraw/zinc/26/98/94/1047269894.db2.gz UIRJBUOVRNTRSZ-IUDNXUCKSA-N 0 3 329.444 4.077 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178475 1047869202 /nfs/dbraw/zinc/86/92/02/1047869202.db2.gz QWYQHKIONYIQSD-NRFANRHFSA-N 0 3 337.463 4.308 20 10 EICDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178475 1047869205 /nfs/dbraw/zinc/86/92/05/1047869205.db2.gz QWYQHKIONYIQSD-NRFANRHFSA-N 0 3 337.463 4.308 20 10 EICDHN CCCOc1ncccc1CN[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808680199 1048033854 /nfs/dbraw/zinc/03/38/54/1048033854.db2.gz DRCAJLGXSBCHCC-ZDUSSCGKSA-N 0 3 334.847 4.389 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1[O-] ZINC000808672842 1048045714 /nfs/dbraw/zinc/04/57/14/1048045714.db2.gz SGUBORPCOWSAIY-WFASDCNBSA-N 0 3 338.904 4.369 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000808707067 1048054294 /nfs/dbraw/zinc/05/42/94/1048054294.db2.gz ZPNCDGZDHBMUJR-OAVHHTNSSA-N 0 3 337.822 4.266 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c1[O-] ZINC000808707759 1048054324 /nfs/dbraw/zinc/05/43/24/1048054324.db2.gz XZJGIXWVGHCUDG-GLJUWKHASA-N 0 3 333.859 4.169 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000808709182 1048057262 /nfs/dbraw/zinc/05/72/62/1048057262.db2.gz VNHJWTSJROCXHQ-XIKOKIGWSA-N 0 3 337.822 4.051 20 10 EICDHN COc1cc(CN(C)[C@H](C)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000825451228 1048095481 /nfs/dbraw/zinc/09/54/81/1048095481.db2.gz RKGSHBFQAMWJBH-CQSZACIVSA-N 0 3 328.456 4.286 20 10 EICDHN CC[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1ccccc1[O-] ZINC000155115776 1048183445 /nfs/dbraw/zinc/18/34/45/1048183445.db2.gz NSGOMFNORGJFRD-GOSISDBHSA-N 0 3 326.440 4.350 20 10 EICDHN CC[C@@H](NCc1cccnc1OC1CCCC1)c1ccccc1O ZINC000155115776 1048183451 /nfs/dbraw/zinc/18/34/51/1048183451.db2.gz NSGOMFNORGJFRD-GOSISDBHSA-N 0 3 326.440 4.350 20 10 EICDHN Cc1sccc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000815115763 1048329147 /nfs/dbraw/zinc/32/91/47/1048329147.db2.gz MOEDXYXUFHACBE-ZIAGYGMSSA-N 0 3 348.487 4.099 20 10 EICDHN Cc1sccc1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000815115762 1048330458 /nfs/dbraw/zinc/33/04/58/1048330458.db2.gz MOEDXYXUFHACBE-OKILXGFUSA-N 0 3 348.487 4.099 20 10 EICDHN COc1cccc(O)c1CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000809736523 1048494030 /nfs/dbraw/zinc/49/40/30/1048494030.db2.gz YIPFQLUEZQIQNA-UHFFFAOYSA-N 0 3 327.399 4.219 20 10 EICDHN CC[N@H+](Cc1ccncc1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809726127 1048499233 /nfs/dbraw/zinc/49/92/33/1048499233.db2.gz DDDITRJIPLKZOO-UHFFFAOYSA-N 0 3 348.446 4.388 20 10 EICDHN CC[N@@H+](Cc1ccncc1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809726127 1048499238 /nfs/dbraw/zinc/49/92/38/1048499238.db2.gz DDDITRJIPLKZOO-UHFFFAOYSA-N 0 3 348.446 4.388 20 10 EICDHN CCN(Cc1ccncc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000809726127 1048499244 /nfs/dbraw/zinc/49/92/44/1048499244.db2.gz DDDITRJIPLKZOO-UHFFFAOYSA-N 0 3 348.446 4.388 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1CO ZINC000815564227 1048510933 /nfs/dbraw/zinc/51/09/33/1048510933.db2.gz BXEILRIUQZJUQI-JOCHJYFZSA-N 0 3 347.458 4.348 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1ccc(F)cn1 ZINC000815589174 1048526084 /nfs/dbraw/zinc/52/60/84/1048526084.db2.gz KLYOLXFESHENMC-FQEVSTJZSA-N 0 3 336.410 4.390 20 10 EICDHN CC(C)(CCCO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815590038 1048527380 /nfs/dbraw/zinc/52/73/80/1048527380.db2.gz KDQBBJXQQCVWNN-FQEVSTJZSA-N 0 3 341.495 4.454 20 10 EICDHN CC[C@@H](O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595262 1048530802 /nfs/dbraw/zinc/53/08/02/1048530802.db2.gz MEHNQWUPSHWQHX-QUCCMNQESA-N 0 3 327.468 4.207 20 10 EICDHN COCC(C)(C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815629001 1048552731 /nfs/dbraw/zinc/55/27/31/1048552731.db2.gz PYMYBCMUCCZSFG-IBGZPJMESA-N 0 3 327.468 4.328 20 10 EICDHN COc1ccncc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815629803 1048553908 /nfs/dbraw/zinc/55/39/08/1048553908.db2.gz NOSZMNJBZMKLMY-HXUWFJFHSA-N 0 3 348.446 4.260 20 10 EICDHN COc1ccncc1CN[C@H](CCc1ccccc1)c1ccccc1O ZINC000815629803 1048553922 /nfs/dbraw/zinc/55/39/22/1048553922.db2.gz NOSZMNJBZMKLMY-HXUWFJFHSA-N 0 3 348.446 4.260 20 10 EICDHN CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)c1ccccc1[O-] ZINC000815639295 1048564876 /nfs/dbraw/zinc/56/48/76/1048564876.db2.gz TUMBPDMTRGYWJA-HNNXBMFYSA-N 0 3 349.858 4.346 20 10 EICDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000815648450 1048570622 /nfs/dbraw/zinc/57/06/22/1048570622.db2.gz MZHMHZMYSHMBAB-KBPBESRZSA-N 0 3 325.387 4.129 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(Br)nc1 ZINC000810219650 1048687874 /nfs/dbraw/zinc/68/78/74/1048687874.db2.gz UTIGHUVSCWSRMD-CYBMUJFWSA-N 0 3 348.288 4.069 20 10 EICDHN CC[C@@H]([NH2+]C[C@]1(CC)OCCc2ccccc21)c1ccccc1[O-] ZINC000810243556 1048727673 /nfs/dbraw/zinc/72/76/73/1048727673.db2.gz QDWPQAHOCOQVJO-CTNGQTDRSA-N 0 3 325.452 4.311 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2cc(C(F)(F)F)ccc2F)c1 ZINC000845972344 1048773051 /nfs/dbraw/zinc/77/30/51/1048773051.db2.gz NFTSUWFQBVAOEW-JTQLQIEISA-N 0 3 343.320 4.410 20 10 EICDHN COc1cccc([C@@H](C)NCc2ccc(C)cc2OCC2CC2)c1O ZINC000846151223 1048824641 /nfs/dbraw/zinc/82/46/41/1048824641.db2.gz VRGHFLPBYRRASH-OAHLLOKOSA-N 0 3 341.451 4.349 20 10 EICDHN COC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1cccc(Cl)c1 ZINC000846170390 1048828338 /nfs/dbraw/zinc/82/83/38/1048828338.db2.gz KDHLJHZARYQKBM-LRDDRELGSA-N 0 3 335.831 4.093 20 10 EICDHN COc1cccc([C@H](C)N[C@H]2CCCOc3ccc(F)cc32)c1O ZINC000846141625 1048830190 /nfs/dbraw/zinc/83/01/90/1048830190.db2.gz LAMPGWRNGVRJGD-LRDDRELGSA-N 0 3 331.387 4.104 20 10 EICDHN CC[C@@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1ccc(C)cc1O ZINC000846206702 1048832871 /nfs/dbraw/zinc/83/28/71/1048832871.db2.gz GHSJPOMLHHLCQC-UXHICEINSA-N 0 3 349.478 4.459 20 10 EICDHN COc1cc(O)c(CN2CC3(CCC3)[C@H]2c2ccccc2)cc1OC ZINC000816630832 1048838599 /nfs/dbraw/zinc/83/85/99/1048838599.db2.gz SYJIQFVVWPXIMW-HXUWFJFHSA-N 0 3 339.435 4.137 20 10 EICDHN c1ccc([C@@H]2N(Cc3ccc(N4CCOCC4)cc3)CC23CCC3)cc1 ZINC000816630502 1048840492 /nfs/dbraw/zinc/84/04/92/1048840492.db2.gz GKERGJXPQAQHQV-QFIPXVFZSA-N 0 3 348.490 4.250 20 10 EICDHN COc1ccc([C@H](NCc2ccc(N(C)C)cc2)C2CC2)c(F)c1 ZINC000817576245 1049006509 /nfs/dbraw/zinc/00/65/09/1049006509.db2.gz OLPXJBIWNUBCQZ-HXUWFJFHSA-N 0 3 328.431 4.141 20 10 EICDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(N)ccc32)c2c1c(F)ccc2[O-] ZINC000817968109 1049071507 /nfs/dbraw/zinc/07/15/07/1049071507.db2.gz PDCCCJVTRBPQAN-NVGVWMPQSA-N 0 3 326.415 4.329 20 10 EICDHN CC[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccccc1[O-] ZINC000817976333 1049075397 /nfs/dbraw/zinc/07/53/97/1049075397.db2.gz XVADVCAAQKEOIO-IRXDYDNUSA-N 0 3 326.440 4.318 20 10 EICDHN C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(N(C)C)cc1 ZINC000817974854 1049075843 /nfs/dbraw/zinc/07/58/43/1049075843.db2.gz GRHBIOKLGIQPHP-IFXJQAMLSA-N 0 3 339.483 4.288 20 10 EICDHN C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)c2c1c(F)ccc2[O-] ZINC000817977460 1049076830 /nfs/dbraw/zinc/07/68/30/1049076830.db2.gz KRLDAJKMKOYBGW-SJCJKPOMSA-N 0 3 326.415 4.228 20 10 EICDHN CCN(CC)c1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000811519455 1049105212 /nfs/dbraw/zinc/10/52/12/1049105212.db2.gz XWTNQVGETYERRW-UXHICEINSA-N 0 3 328.500 4.066 20 10 EICDHN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000773118851 1049591185 /nfs/dbraw/zinc/59/11/85/1049591185.db2.gz QMHNOJUQJRXRKQ-WMLDXEAASA-N 0 3 344.421 4.031 20 10 EICDHN C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037000697 1049654491 /nfs/dbraw/zinc/65/44/91/1049654491.db2.gz BBONWJHEQTWWEB-CHWSQXEVSA-N 0 3 334.257 4.437 20 10 EICDHN C[C@@H](N[C@H]1CCCOc2cc(F)ccc21)c1ccc(N(C)C)cc1 ZINC000179963685 1049815583 /nfs/dbraw/zinc/81/55/83/1049815583.db2.gz VHXXNSMFWWZJSV-KUHUBIRLSA-N 0 3 328.431 4.456 20 10 EICDHN COc1cc([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])ccc1OCC(C)C ZINC000180427823 1049897296 /nfs/dbraw/zinc/89/72/96/1049897296.db2.gz KKHFETZQSXNQFZ-AWEZNQCLSA-N 0 3 347.430 4.426 20 10 EICDHN COC(=O)CC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000180670439 1049928014 /nfs/dbraw/zinc/92/80/14/1049928014.db2.gz LYLJWQOJMKUNNS-JXFKEZNVSA-N 0 3 340.467 4.098 20 10 EICDHN CCCN(CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1O ZINC000069009930 1049954526 /nfs/dbraw/zinc/95/45/26/1049954526.db2.gz YKGGUGLBQFZEJF-UHFFFAOYSA-N 0 3 340.467 4.168 20 10 EICDHN [O-]c1c(CNc2cc[nH+]c(C3CC3)c2)cc(Cl)c2cccnc12 ZINC001168525834 1050008769 /nfs/dbraw/zinc/00/87/69/1050008769.db2.gz MKUVPWBGWVZUPD-UHFFFAOYSA-N 0 3 325.799 4.478 20 10 EICDHN C[C@@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000181325886 1050099191 /nfs/dbraw/zinc/09/91/91/1050099191.db2.gz VRMNMOLDAKYVJV-AUUYWEPGSA-N 0 3 328.431 4.456 20 10 EICDHN CCC[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccccc1 ZINC001178634661 1050522779 /nfs/dbraw/zinc/52/27/79/1050522779.db2.gz QDMOQDQKWHGBEL-AZUAARDMSA-N 0 3 348.437 4.023 20 10 EICDHN COc1ccc([C@@H](C)NC/C=C\c2ccc(N(C)C)cc2)c(OC)c1 ZINC001179789004 1050778538 /nfs/dbraw/zinc/77/85/38/1050778538.db2.gz LCKGINCRTYGJFT-MWWKQMNYSA-N 0 3 340.467 4.134 20 10 EICDHN CCc1nc(C)c([C@@H](C)N(C)Cc2cc(C)cc(OC)c2O)s1 ZINC001179906289 1050830685 /nfs/dbraw/zinc/83/06/85/1050830685.db2.gz WRYAEEPCYAKAFX-CYBMUJFWSA-N 0 3 334.485 4.230 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@@H](C)c3nccs3)c2c1 ZINC000182855580 1050853474 /nfs/dbraw/zinc/85/34/74/1050853474.db2.gz YCKBSAXHLJYFLJ-CYBMUJFWSA-N 0 3 342.464 4.246 20 10 EICDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@@H](C)c3nccs3)c2c1 ZINC000182855580 1050853482 /nfs/dbraw/zinc/85/34/82/1050853482.db2.gz YCKBSAXHLJYFLJ-CYBMUJFWSA-N 0 3 342.464 4.246 20 10 EICDHN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180029651 1050857906 /nfs/dbraw/zinc/85/79/06/1050857906.db2.gz DLXYZLCNKWAMSQ-HZPDHXFCSA-N 0 3 336.907 4.132 20 10 EICDHN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180029651 1050857913 /nfs/dbraw/zinc/85/79/13/1050857913.db2.gz DLXYZLCNKWAMSQ-HZPDHXFCSA-N 0 3 336.907 4.132 20 10 EICDHN C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)Cc1ccccc1[O-] ZINC000183287821 1051066718 /nfs/dbraw/zinc/06/67/18/1051066718.db2.gz WGSVSRGIIBCXNV-UHFFFAOYSA-N 0 3 343.320 4.104 20 10 EICDHN C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)Cc1ccccc1[O-] ZINC000183287821 1051066731 /nfs/dbraw/zinc/06/67/31/1051066731.db2.gz WGSVSRGIIBCXNV-UHFFFAOYSA-N 0 3 343.320 4.104 20 10 EICDHN C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1[O-] ZINC001180874406 1051098856 /nfs/dbraw/zinc/09/88/56/1051098856.db2.gz ZQRYQMAIQLNWNQ-UHFFFAOYSA-N 0 3 343.320 4.061 20 10 EICDHN C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1[O-] ZINC001180874406 1051098862 /nfs/dbraw/zinc/09/88/62/1051098862.db2.gz ZQRYQMAIQLNWNQ-UHFFFAOYSA-N 0 3 343.320 4.061 20 10 EICDHN CCOc1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])cc1OCC ZINC000183381166 1051102892 /nfs/dbraw/zinc/10/28/92/1051102892.db2.gz MPUSSRHRUHEMLB-HNNXBMFYSA-N 0 3 329.440 4.083 20 10 EICDHN CCCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000183418298 1051115943 /nfs/dbraw/zinc/11/59/43/1051115943.db2.gz XYNLJEKFDNDZEX-HNNXBMFYSA-N 0 3 329.440 4.431 20 10 EICDHN Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183456304 1051127233 /nfs/dbraw/zinc/12/72/33/1051127233.db2.gz WTSNDUOPWUXOJV-QGZVFWFLSA-N 0 3 335.451 4.170 20 10 EICDHN C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775363865 1051130142 /nfs/dbraw/zinc/13/01/42/1051130142.db2.gz MZHNFQWSVUENCI-GFCCVEGCSA-N 0 3 333.819 4.165 20 10 EICDHN Cc1c([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cnn1-c1ccc(F)cc1 ZINC000183466637 1051130539 /nfs/dbraw/zinc/13/05/39/1051130539.db2.gz LLOVQAHOFLFRLS-ZIAGYGMSSA-N 0 3 339.414 4.437 20 10 EICDHN CCOc1cc(CCC[NH2+][C@H](C)c2ccccc2[O-])ccc1OC ZINC000183520840 1051146092 /nfs/dbraw/zinc/14/60/92/1051146092.db2.gz GUFGRWNZELAEFB-OAHLLOKOSA-N 0 3 329.440 4.083 20 10 EICDHN CC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1[O-] ZINC000775413087 1051276668 /nfs/dbraw/zinc/27/66/68/1051276668.db2.gz VVTQEZYTBLBLSW-INIZCTEOSA-N 0 3 347.842 4.448 20 10 EICDHN Cc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000774484078 1051611520 /nfs/dbraw/zinc/61/15/20/1051611520.db2.gz OBPCFLGWYJBMSM-IAGOWNOFSA-N 0 3 339.483 4.047 20 10 EICDHN CC[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000775497825 1051617025 /nfs/dbraw/zinc/61/70/25/1051617025.db2.gz VWBFPZJERCILSC-INIZCTEOSA-N 0 3 327.424 4.139 20 10 EICDHN CC[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1ccccc1[O-] ZINC000775527645 1051720389 /nfs/dbraw/zinc/72/03/89/1051720389.db2.gz RVAGYKFNIBIHJE-GOEBONIOSA-N 0 3 340.250 4.473 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1ccccc1[O-] ZINC000775527642 1051720545 /nfs/dbraw/zinc/72/05/45/1051720545.db2.gz RVAGYKFNIBIHJE-GDBMZVCRSA-N 0 3 340.250 4.473 20 10 EICDHN CC[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccccc1[O-] ZINC000775531603 1051749546 /nfs/dbraw/zinc/74/95/46/1051749546.db2.gz IKBFGFMPKASVAZ-YJBOKZPZSA-N 0 3 330.859 4.365 20 10 EICDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccccc1[O-] ZINC000775531600 1051750088 /nfs/dbraw/zinc/75/00/88/1051750088.db2.gz IKBFGFMPKASVAZ-CRAIPNDOSA-N 0 3 330.859 4.365 20 10 EICDHN C[C@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccns1 ZINC001183189203 1051802684 /nfs/dbraw/zinc/80/26/84/1051802684.db2.gz RJLHRFNKXYLWJW-AWEZNQCLSA-N 0 3 340.448 4.279 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1ccns1 ZINC001183189203 1051802686 /nfs/dbraw/zinc/80/26/86/1051802686.db2.gz RJLHRFNKXYLWJW-AWEZNQCLSA-N 0 3 340.448 4.279 20 10 EICDHN Cc1cc(Br)cc(C[NH+]2CCC(CCF)CC2)c1[O-] ZINC001183249141 1051816698 /nfs/dbraw/zinc/81/66/98/1051816698.db2.gz VSCYCMWWECMNHA-UHFFFAOYSA-N 0 3 330.241 4.035 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)c([O-])c1 ZINC000185003409 1052356860 /nfs/dbraw/zinc/35/68/60/1052356860.db2.gz YQYFNJUDYIBDDF-SFHVURJKSA-N 0 3 338.495 4.058 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c([O-])c1 ZINC000185245787 1052549538 /nfs/dbraw/zinc/54/95/38/1052549538.db2.gz GCEKYLBHMQMYCH-IAGOWNOFSA-N 0 3 344.524 4.325 20 10 EICDHN Cc1ccc(-c2nc(CC[NH2+][C@H](C)c3cc(F)ccc3[O-])co2)cc1 ZINC000185304476 1052574922 /nfs/dbraw/zinc/57/49/22/1052574922.db2.gz KHRTZTYNHBMKAY-CQSZACIVSA-N 0 3 340.398 4.388 20 10 EICDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000185658799 1052666617 /nfs/dbraw/zinc/66/66/17/1052666617.db2.gz HUFIPQAXUWCIJO-TXPKVOOTSA-N 0 3 342.458 4.235 20 10 EICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc3ccccc3s2)c([O-])c1 ZINC000185721294 1052685937 /nfs/dbraw/zinc/68/59/37/1052685937.db2.gz JPKDHZYTDRGPPD-SUMWQHHRSA-N 0 3 327.449 4.300 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2OC2CCC2)c1 ZINC000186055588 1052862051 /nfs/dbraw/zinc/86/20/51/1052862051.db2.gz AXZDCWWSTRMNFV-CQSZACIVSA-N 0 3 327.424 4.183 20 10 EICDHN COc1cc(CNCc2ccc(F)c(F)c2)c(O)c(C(C)(C)C)c1 ZINC000850078467 1053068236 /nfs/dbraw/zinc/06/82/36/1053068236.db2.gz WXBAVAJYPNXLPY-UHFFFAOYSA-N 0 3 335.394 4.266 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1Cl ZINC000775610306 1053091403 /nfs/dbraw/zinc/09/14/03/1053091403.db2.gz NPMYDRPZODHJIV-GOSISDBHSA-N 0 3 337.822 4.130 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cc1Cl ZINC000775610306 1053091420 /nfs/dbraw/zinc/09/14/20/1053091420.db2.gz NPMYDRPZODHJIV-GOSISDBHSA-N 0 3 337.822 4.130 20 10 EICDHN CN(c1ccc(CN[C@H]2CCCn3nccc32)cc1)C1CCCCC1 ZINC000850429498 1053208112 /nfs/dbraw/zinc/20/81/12/1053208112.db2.gz CZBCPAWXNNKDKR-FQEVSTJZSA-N 0 3 338.499 4.277 20 10 EICDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCN(c3ccccc3Cl)C1)CC2 ZINC000850484172 1053254836 /nfs/dbraw/zinc/25/48/36/1053254836.db2.gz DJEVWMLIHVIMKF-YOEHRIQHSA-N 0 3 342.870 4.149 20 10 EICDHN C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)c1ccccc1[O-] ZINC000850484899 1053256588 /nfs/dbraw/zinc/25/65/88/1053256588.db2.gz UDAJRRDWZQRPID-HUUCEWRRSA-N 0 3 330.859 4.223 20 10 EICDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850523275 1053281920 /nfs/dbraw/zinc/28/19/20/1053281920.db2.gz FCYFXQBBUKGZMX-AZUAARDMSA-N 0 3 337.463 4.367 20 10 EICDHN C[C@H](NCc1c(C2CC2)cnn1C)c1ccc(N2CCCCC2)cc1 ZINC000850535009 1053297033 /nfs/dbraw/zinc/29/70/33/1053297033.db2.gz POLFXDCPHGRKRF-INIZCTEOSA-N 0 3 338.499 4.139 20 10 EICDHN C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1[O-] ZINC000850554583 1053308750 /nfs/dbraw/zinc/30/87/50/1053308750.db2.gz COZGVQVICOPLEG-FVMDXXJSSA-N 0 3 344.213 4.222 20 10 EICDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1[O-] ZINC000850557257 1053312504 /nfs/dbraw/zinc/31/25/04/1053312504.db2.gz NOKMBBGUHOINBV-RDJZCZTQSA-N 0 3 340.250 4.473 20 10 EICDHN CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(C)cc1[O-] ZINC000850557339 1053312889 /nfs/dbraw/zinc/31/28/89/1053312889.db2.gz WPWAURKMGFUKBW-CEWLAPEOSA-N 0 3 327.468 4.500 20 10 EICDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1[O-] ZINC000850558584 1053314766 /nfs/dbraw/zinc/31/47/66/1053314766.db2.gz UDNGEKFLZOCXKA-MGPLVRAMSA-N 0 3 326.223 4.083 20 10 EICDHN COc1ccccc1-c1cc(CN[C@@H](C)c2cc(C)ccc2O)on1 ZINC000850583221 1053335173 /nfs/dbraw/zinc/33/51/73/1053335173.db2.gz JOGDZLMLQUADRP-AWEZNQCLSA-N 0 3 338.407 4.215 20 10 EICDHN Cc1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1[O-] ZINC000775648806 1053359287 /nfs/dbraw/zinc/35/92/87/1053359287.db2.gz XXQAFBGNFDGQKX-FQEVSTJZSA-N 0 3 345.870 4.300 20 10 EICDHN CC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794800229 1053383893 /nfs/dbraw/zinc/38/38/93/1053383893.db2.gz BNERWENPVVABNR-INIZCTEOSA-N 0 3 347.842 4.366 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccc(C)cc1[O-] ZINC000794804212 1053396730 /nfs/dbraw/zinc/39/67/30/1053396730.db2.gz UCRPKGGHDHCLEO-NVXWUHKLSA-N 0 3 329.440 4.217 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(C)cc1[O-] ZINC000794808357 1053403752 /nfs/dbraw/zinc/40/37/52/1053403752.db2.gz AGPXOPQINGMCIY-WMLDXEAASA-N 0 3 345.874 4.069 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(C)cc1[O-] ZINC000794814637 1053423993 /nfs/dbraw/zinc/42/39/93/1053423993.db2.gz HGDVVMLMJCXZMV-IAGOWNOFSA-N 0 3 348.487 4.045 20 10 EICDHN CC[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1ccc(C)cc1[O-] ZINC000794816867 1053431746 /nfs/dbraw/zinc/43/17/46/1053431746.db2.gz KZHIHIILOPKBSO-MRXNPFEDSA-N 0 3 348.487 4.189 20 10 EICDHN CC[C@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)c1ccc(C)cc1[O-] ZINC000794817825 1053431878 /nfs/dbraw/zinc/43/18/78/1053431878.db2.gz RJDBHDWURXOMNI-SFHVURJKSA-N 0 3 342.439 4.162 20 10 EICDHN CC[C@H]([NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794829733 1053441910 /nfs/dbraw/zinc/44/19/10/1053441910.db2.gz WOLPSNATBWOYTN-JBACZVJFSA-N 0 3 327.468 4.500 20 10 EICDHN C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000794836472 1053478433 /nfs/dbraw/zinc/47/84/33/1053478433.db2.gz OMAJOLMOAHAZHC-PNESKVBLSA-N 0 3 343.298 4.367 20 10 EICDHN COc1cc(CN[C@@H](C)c2cnc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000865701125 1053576455 /nfs/dbraw/zinc/57/64/55/1053576455.db2.gz APPNRINXEKFSLP-NSHDSACASA-N 0 3 334.485 4.314 20 10 EICDHN C[C@@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000853239985 1053655587 /nfs/dbraw/zinc/65/55/87/1053655587.db2.gz FDDRXGIEXVMCBE-RNCFNFMXSA-N 0 3 340.320 4.283 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc3c2CCOC3)c1[O-] ZINC000866479618 1053748073 /nfs/dbraw/zinc/74/80/73/1053748073.db2.gz WAEYHHQVQZNHJP-ZDUSSCGKSA-N 0 3 331.843 4.278 20 10 EICDHN CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000121082595 1053752598 /nfs/dbraw/zinc/75/25/98/1053752598.db2.gz RKGCSNFRYBRNMG-RDJZCZTQSA-N 0 3 348.487 4.080 20 10 EICDHN CC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(OC)c1OC ZINC000866506975 1053755450 /nfs/dbraw/zinc/75/54/50/1053755450.db2.gz AFXZZVQBBVEHLP-CVEARBPZSA-N 0 3 327.424 4.138 20 10 EICDHN CC[C@H](NCc1c(C)cc(C)nc1OC)c1ccc(N(C)C)cc1 ZINC000765666872 1053833694 /nfs/dbraw/zinc/83/36/94/1053833694.db2.gz QWVRAJMFARMMJZ-IBGZPJMESA-N 0 3 327.472 4.014 20 10 EICDHN Cc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775833019 1054109664 /nfs/dbraw/zinc/10/96/64/1054109664.db2.gz FSLREQKTZSMHKA-CQSZACIVSA-N 0 3 345.874 4.004 20 10 EICDHN C[C@H](N[C@H](CO)c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000123610372 1054211555 /nfs/dbraw/zinc/21/15/55/1054211555.db2.gz UIDUFMLIPZTGQT-PGRDOPGGSA-N 0 3 338.495 4.451 20 10 EICDHN Brc1cccc(C2(NCc3ccc4c(c3)CCO4)CC2)c1 ZINC000123745089 1054250146 /nfs/dbraw/zinc/25/01/46/1054250146.db2.gz HTDMPKMLNDOMCM-UHFFFAOYSA-N 0 3 344.252 4.163 20 10 EICDHN Cc1cnn(CC[N@H+](Cc2ccccc2[O-])[C@@H](C)c2ccccc2)c1 ZINC000776004668 1054439801 /nfs/dbraw/zinc/43/98/01/1054439801.db2.gz UNXRDJCBHONPQN-SFHVURJKSA-N 0 3 335.451 4.161 20 10 EICDHN Cc1cnn(CC[N@@H+](Cc2ccccc2[O-])[C@@H](C)c2ccccc2)c1 ZINC000776004668 1054439809 /nfs/dbraw/zinc/43/98/09/1054439809.db2.gz UNXRDJCBHONPQN-SFHVURJKSA-N 0 3 335.451 4.161 20 10 EICDHN Cc1cc(CNCc2cn(C(C)C)nc2C)c(C)n1-c1ccccc1 ZINC000858293944 1054456187 /nfs/dbraw/zinc/45/61/87/1054456187.db2.gz RUTCAFVJMPUKSI-UHFFFAOYSA-N 0 3 336.483 4.470 20 10 EICDHN CCN(CC)c1ccc(CN[C@@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858343220 1054468885 /nfs/dbraw/zinc/46/88/85/1054468885.db2.gz ZJSDCSOXJSWDBY-OAQYLSRUSA-N 0 3 339.483 4.177 20 10 EICDHN CN1CCCc2cc(CNCc3csc(C(F)(F)F)c3)ccc21 ZINC001199823375 1054482940 /nfs/dbraw/zinc/48/29/40/1054482940.db2.gz PMVQYACNIDBGQE-UHFFFAOYSA-N 0 3 340.414 4.439 20 10 EICDHN Cc1ccc(O)c(CN[C@H]2CCOc3c(Br)cccc32)c1 ZINC000282175621 1054489546 /nfs/dbraw/zinc/48/95/46/1054489546.db2.gz ZAMTZGVCIDUECA-HNNXBMFYSA-N 0 3 348.240 4.077 20 10 EICDHN CC[C@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000858442785 1054491724 /nfs/dbraw/zinc/49/17/24/1054491724.db2.gz MKJDCKAITQAMCQ-ICSRJNTNSA-N 0 3 329.440 4.138 20 10 EICDHN CCCOc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C ZINC000873148645 1054492204 /nfs/dbraw/zinc/49/22/04/1054492204.db2.gz FYNXOBJBEMINQA-AWEZNQCLSA-N 0 3 340.423 4.481 20 10 EICDHN COc1ccc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)cn1 ZINC000126446318 1055040993 /nfs/dbraw/zinc/04/09/93/1055040993.db2.gz TXYGWOHKRWHOPQ-QGZVFWFLSA-N 0 3 339.483 4.321 20 10 EICDHN COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000776255725 1055087326 /nfs/dbraw/zinc/08/73/26/1055087326.db2.gz HKQPFCVYJWIGSK-DJJJIMSYSA-N 0 3 349.858 4.228 20 10 EICDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCc1ccccn1 ZINC000776263475 1055097159 /nfs/dbraw/zinc/09/71/59/1055097159.db2.gz CYNVXFNIATZPKY-NRFANRHFSA-N 0 3 332.447 4.293 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccccc2O)c1[O-] ZINC000877757383 1055113684 /nfs/dbraw/zinc/11/36/84/1055113684.db2.gz VULNYWIJHPKRAF-NSHDSACASA-N 0 3 336.229 4.020 20 10 EICDHN C[C@H]([NH2+]Cc1ccc(Cl)nc1C(F)(F)F)c1ccccc1[O-] ZINC000877757418 1055114109 /nfs/dbraw/zinc/11/41/09/1055114109.db2.gz ZTUGONPRENBRLT-VIFPVBQESA-N 0 3 330.737 4.310 20 10 EICDHN CC[C@H](C)Oc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OC ZINC000877756624 1055114285 /nfs/dbraw/zinc/11/42/85/1055114285.db2.gz ZLBDMYRQOPJHAT-LSDHHAIUSA-N 0 3 329.440 4.429 20 10 EICDHN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1[O-] ZINC000877755610 1055115440 /nfs/dbraw/zinc/11/54/40/1055115440.db2.gz HXDGGQOUAOSQCE-MJGOQNOKSA-N 0 3 336.479 4.240 20 10 EICDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(N(CC)CC)nc2)cc1 ZINC000126799398 1055153920 /nfs/dbraw/zinc/15/39/20/1055153920.db2.gz JYYLXHDSZVCCCT-QGZVFWFLSA-N 0 3 340.515 4.235 20 10 EICDHN Cc1ccc(O)c([C@H](C)Nc2cccc(CN3CCSCC3)c2)c1 ZINC000186342903 1055369976 /nfs/dbraw/zinc/36/99/76/1055369976.db2.gz TYDURJQILOAWGR-INIZCTEOSA-N 0 3 342.508 4.423 20 10 EICDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1C ZINC000742162878 1058542583 /nfs/dbraw/zinc/54/25/83/1058542583.db2.gz ODKZCDPDQCJIDQ-QRWLVFNGSA-N 0 3 329.415 4.110 20 10 EICDHN Cc1ccccc1[C@H](CO)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000766401595 1060329944 /nfs/dbraw/zinc/32/99/44/1060329944.db2.gz SVEVOCAFTOYRQM-GCJKJVERSA-N 0 3 338.495 4.370 20 10 EICDHN CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490456 522719051 /nfs/dbraw/zinc/71/90/51/522719051.db2.gz OPWBUPHLMFLMAJ-IOASZLSFSA-N 0 3 343.298 4.367 20 10 EICDHN CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490456 522719065 /nfs/dbraw/zinc/71/90/65/522719065.db2.gz OPWBUPHLMFLMAJ-IOASZLSFSA-N 0 3 343.298 4.367 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000367490456 522719076 /nfs/dbraw/zinc/71/90/76/522719076.db2.gz OPWBUPHLMFLMAJ-IOASZLSFSA-N 0 3 343.298 4.367 20 10 EICDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1[O-] ZINC000529664142 1032519823 /nfs/dbraw/zinc/51/98/23/1032519823.db2.gz DWVJZUNLZOLYSO-HNNXBMFYSA-N 0 3 338.234 4.485 20 10 EICDHN Cc1noc(C)c1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000274925005 1019864631 /nfs/dbraw/zinc/86/46/31/1019864631.db2.gz JWIMHHSBVJOIBN-FQEVSTJZSA-N 0 3 336.435 4.461 20 10 EICDHN CC[C@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1[O-] ZINC000154925917 1020115007 /nfs/dbraw/zinc/11/50/07/1020115007.db2.gz WVXFZNYVHJGDKT-FQEVSTJZSA-N 0 3 335.451 4.436 20 10 EICDHN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)c2ccccc2[O-])c1 ZINC000155194758 1020335620 /nfs/dbraw/zinc/33/56/20/1020335620.db2.gz YCYYUSJREFYLOG-KXBFYZLASA-N 0 3 340.467 4.161 20 10 EICDHN COCC(C)(C)NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255881495 1021706299 /nfs/dbraw/zinc/70/62/99/1021706299.db2.gz UYEXAEJXWAXHKB-UHFFFAOYSA-N 0 3 340.427 4.055 20 10 EICDHN CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(C)cc1[O-] ZINC000279947560 1033022096 /nfs/dbraw/zinc/02/20/96/1033022096.db2.gz BNMMPZOIDHGMGX-LJQANCHMSA-N 0 3 335.451 4.342 20 10 EICDHN CC[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccccc1[O-] ZINC000376323447 1022171418 /nfs/dbraw/zinc/17/14/18/1022171418.db2.gz IGNRTDSCROPSQR-GOSISDBHSA-N 0 3 330.497 4.159 20 10 EICDHN Cc1nc(C)c([C@@H](C)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000178204572 1022410858 /nfs/dbraw/zinc/41/08/58/1022410858.db2.gz BEOXOMAPWNCGDY-CYBMUJFWSA-N 0 3 347.553 4.164 20 10 EICDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)c1cnn(C)c1 ZINC000163895964 1022419124 /nfs/dbraw/zinc/41/91/24/1022419124.db2.gz OBEOXUMCFHFGLW-IAGOWNOFSA-N 0 3 326.488 4.212 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000310905353 1022576919 /nfs/dbraw/zinc/57/69/19/1022576919.db2.gz BUFPZXDHOOSJSS-RYRKJORJSA-N 0 3 342.458 4.093 20 10 EICDHN Cc1oc(-c2ccccc2)nc1CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000363858350 1022864200 /nfs/dbraw/zinc/86/42/00/1022864200.db2.gz DNZVSEPXKMYMGD-ZDUSSCGKSA-N 0 3 340.398 4.388 20 10 EICDHN C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000311208058 1023001967 /nfs/dbraw/zinc/00/19/67/1023001967.db2.gz NSJWNWNQGQRNPL-WMZOPIPTSA-N 0 3 342.458 4.094 20 10 EICDHN CC[C@H]([NH2+][C@H](C)Cc1nc(-c2ccccc2)no1)c1ccccc1[O-] ZINC000364348809 1023657585 /nfs/dbraw/zinc/65/75/85/1023657585.db2.gz VAXLWORGQMGNES-PBHICJAKSA-N 0 3 337.423 4.114 20 10 EICDHN COc1ccc(CN[C@@H](C)c2ccc(F)cc2Cl)c(O)c1OC ZINC000893014805 1023668938 /nfs/dbraw/zinc/66/89/38/1023668938.db2.gz ZNKIHYITKLNSLE-JTQLQIEISA-N 0 3 339.794 4.053 20 10 EICDHN Cc1c2ccccc2n(C)c1CN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000519518309 1025864713 /nfs/dbraw/zinc/86/47/13/1025864713.db2.gz ZCJFMEFNEIEOQO-LJQANCHMSA-N 0 3 337.471 4.016 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C)cc1[O-] ZINC000375657187 1025868352 /nfs/dbraw/zinc/86/83/52/1025868352.db2.gz LEJQAHXXRCQHBG-RBUKOAKNSA-N 0 3 338.451 4.239 20 10 EICDHN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000279490424 1026455734 /nfs/dbraw/zinc/45/57/34/1026455734.db2.gz LQEOMWCOCUMHJG-JTQLQIEISA-N 0 3 340.301 4.170 20 10 EICDHN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000112536874 1026726748 /nfs/dbraw/zinc/72/67/48/1026726748.db2.gz PUQHHWBCLJXGDE-CABCVRRESA-N 0 3 346.421 4.213 20 10 EICDHN COc1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000108095810 1026793949 /nfs/dbraw/zinc/79/39/49/1026793949.db2.gz KQUYQTKZGUWPIW-UHFFFAOYSA-N 0 3 330.859 4.061 20 10 EICDHN CN(Cc1ccc(F)c(OC(F)(F)F)c1)Cc1ccccc1O ZINC001143446334 1026981955 /nfs/dbraw/zinc/98/19/55/1026981955.db2.gz DCAXIQBLFOVBRY-UHFFFAOYSA-N 0 3 329.293 4.062 20 10 EICDHN C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)Cc1ccccc1[O-] ZINC001143446334 1026981961 /nfs/dbraw/zinc/98/19/61/1026981961.db2.gz DCAXIQBLFOVBRY-UHFFFAOYSA-N 0 3 329.293 4.062 20 10 EICDHN C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)Cc1ccccc1[O-] ZINC001143446334 1026981969 /nfs/dbraw/zinc/98/19/69/1026981969.db2.gz DCAXIQBLFOVBRY-UHFFFAOYSA-N 0 3 329.293 4.062 20 10 EICDHN COc1ccc(N2CCN(CC[C@H]3CCC[C@@H](C)C3)CC2)cc1F ZINC001168069352 1027540311 /nfs/dbraw/zinc/54/03/11/1027540311.db2.gz VETHRVHSLJAHFX-IAGOWNOFSA-N 0 3 334.479 4.173 20 10 EICDHN Cc1cc(Br)cc(C[NH2+][C@H](c2ccccn2)C2CC2)c1[O-] ZINC000896612273 1027684083 /nfs/dbraw/zinc/68/40/83/1027684083.db2.gz JTMWWLFXGYKADB-INIZCTEOSA-N 0 3 347.256 4.099 20 10 EICDHN Cc1nn(C(C)(C)C)c(C)c1CNCc1c(C)c2ccccc2n1C ZINC000475198306 1029427765 /nfs/dbraw/zinc/42/77/65/1029427765.db2.gz PFZGYSMHNVGDCR-UHFFFAOYSA-N 0 3 338.499 4.345 20 10 EICDHN COc1cccc([C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)OC)c1 ZINC000527923438 1030917206 /nfs/dbraw/zinc/91/72/06/1030917206.db2.gz DBCQCTXPDVVGRG-PUECVXPYSA-N 0 3 345.414 4.066 20 10 EICDHN COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)OC)c1 ZINC000527923436 1030918731 /nfs/dbraw/zinc/91/87/31/1030918731.db2.gz DBCQCTXPDVVGRG-NJAPINKUSA-N 0 3 345.414 4.066 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1[O-] ZINC000527936705 1030977469 /nfs/dbraw/zinc/97/74/69/1030977469.db2.gz XNOBCLRVZHRLMT-GWCFXTLKSA-N 0 3 347.768 4.005 20 10 EICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000179583790 1031224129 /nfs/dbraw/zinc/22/41/29/1031224129.db2.gz ZBQLLBXTWMYRTH-OAHLLOKOSA-N 0 3 328.481 4.107 20 10 EICDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000179583790 1031224140 /nfs/dbraw/zinc/22/41/40/1031224140.db2.gz ZBQLLBXTWMYRTH-OAHLLOKOSA-N 0 3 328.481 4.107 20 10 EICDHN COc1cc(C)cc(CN[C@H](C)c2ccccc2OC(C)C)c1O ZINC000894186159 1034651405 /nfs/dbraw/zinc/65/14/05/1034651405.db2.gz SBMINBHCLKGISJ-OAHLLOKOSA-N 0 3 329.440 4.347 20 10 EICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C)cc1[O-] ZINC000280038348 1035135081 /nfs/dbraw/zinc/13/50/81/1035135081.db2.gz IQLJEVGABRYGLN-HNAYVOBHSA-N 0 3 336.439 4.083 20 10 EICDHN CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280237011 1035211062 /nfs/dbraw/zinc/21/10/62/1035211062.db2.gz VQKMCVQVAHJXLM-KPFFTGBYSA-N 0 3 327.468 4.296 20 10 EICDHN CC[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(C)cc1[O-] ZINC000280284208 1035221523 /nfs/dbraw/zinc/22/15/23/1035221523.db2.gz YSAHHBZVIMFJES-MRXNPFEDSA-N 0 3 344.421 4.016 20 10 EICDHN COc1ccc([C@@H]2CCCN2Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000761184768 1035898802 /nfs/dbraw/zinc/89/88/02/1035898802.db2.gz PHPQIXBTWVRHRS-KRWDZBQOSA-N 0 3 347.842 4.400 20 10 EICDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1[O-] ZINC000761193467 1036005907 /nfs/dbraw/zinc/00/59/07/1036005907.db2.gz FHLZDFRRVYWWON-ZDUSSCGKSA-N 0 3 335.806 4.183 20 10 EICDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1[O-] ZINC000761193467 1036005926 /nfs/dbraw/zinc/00/59/26/1036005926.db2.gz FHLZDFRRVYWWON-ZDUSSCGKSA-N 0 3 335.806 4.183 20 10 EICDHN CCCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000273424160 1037460723 /nfs/dbraw/zinc/46/07/23/1037460723.db2.gz SYHCXJUPFLDRPD-CYBMUJFWSA-N 0 3 333.403 4.180 20 10 EICDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2cncs2)c1[O-] ZINC000903312207 1041014290 /nfs/dbraw/zinc/01/42/90/1041014290.db2.gz UHSOBJRMRYGPEO-UWVGGRQHSA-N 0 3 341.274 4.331 20 10 EICDHN CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1[O-] ZINC000761498754 1042871287 /nfs/dbraw/zinc/87/12/87/1042871287.db2.gz HACMTTIIGVUIJX-AUUYWEPGSA-N 0 3 346.421 4.238 20 10 EICDHN Cc1nc(F)ccc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000785459115 1043112013 /nfs/dbraw/zinc/11/20/13/1043112013.db2.gz NDXNQSQAWAGBAN-UHFFFAOYSA-N 0 3 327.447 4.055 20 10 EICDHN CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000727645429 1043255879 /nfs/dbraw/zinc/25/58/79/1043255879.db2.gz JXXGGEFSNUVJMQ-NRFANRHFSA-N 0 3 349.478 4.460 20 10 EICDHN C[C@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000704004773 1044373719 /nfs/dbraw/zinc/37/37/19/1044373719.db2.gz LUUWGUFMMCVNPH-HNNXBMFYSA-N 0 3 348.487 4.080 20 10 EICDHN C[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)c1ccccc1 ZINC000735079031 1044737336 /nfs/dbraw/zinc/73/73/36/1044737336.db2.gz ZNNNHILZRXHCBD-YLJYHZDGSA-N 0 3 325.452 4.177 20 10 EICDHN C[C@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)c1ccccc1 ZINC000735079031 1044737355 /nfs/dbraw/zinc/73/73/55/1044737355.db2.gz ZNNNHILZRXHCBD-YLJYHZDGSA-N 0 3 325.452 4.177 20 10 EICDHN CCOc1cccc(CN[C@H](CC)c2cc(F)ccc2OC)c1O ZINC000922620321 1044848265 /nfs/dbraw/zinc/84/82/65/1044848265.db2.gz QVJVESCHCDAFDH-MRXNPFEDSA-N 0 3 333.403 4.180 20 10 EICDHN Cn1c2ccccc2nc1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000736310620 1044923002 /nfs/dbraw/zinc/92/30/02/1044923002.db2.gz VGGIERIQQOCCJY-UHFFFAOYSA-N 0 3 349.478 4.266 20 10 EICDHN Cn1c2ccccc2nc1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000736310620 1044923019 /nfs/dbraw/zinc/92/30/19/1044923019.db2.gz VGGIERIQQOCCJY-UHFFFAOYSA-N 0 3 349.478 4.266 20 10 EICDHN CCN(Cc1ccccc1)c1ccc(CNCc2cc(C)[nH]n2)cc1 ZINC000738431750 1045060968 /nfs/dbraw/zinc/06/09/68/1045060968.db2.gz WQIHEOPAHHBLRX-UHFFFAOYSA-N 0 3 334.467 4.034 20 10 EICDHN CCN(CC)c1ccc(CNCc2ccc(C)c(OC)c2)cc1F ZINC000740003907 1045174886 /nfs/dbraw/zinc/17/48/86/1045174886.db2.gz AYCAJFZYKCROOJ-UHFFFAOYSA-N 0 3 330.447 4.279 20 10 EICDHN CCOc1ccc2c(c1)[C@H](NCc1ccc(N(C)C)cc1C)CCO2 ZINC000766028791 1045256948 /nfs/dbraw/zinc/25/69/48/1045256948.db2.gz GBNKOZYTUIHWEZ-HXUWFJFHSA-N 0 3 340.467 4.073 20 10 EICDHN COCc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)o1 ZINC000768134743 1045723750 /nfs/dbraw/zinc/72/37/50/1045723750.db2.gz UEYNRDGJTNTKED-UHFFFAOYSA-N 0 3 329.440 4.467 20 10 EICDHN COCc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)o1 ZINC000768134743 1045723735 /nfs/dbraw/zinc/72/37/35/1045723735.db2.gz UEYNRDGJTNTKED-UHFFFAOYSA-N 0 3 329.440 4.467 20 10 EICDHN COc1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)c1O ZINC000768132692 1045724356 /nfs/dbraw/zinc/72/43/56/1045724356.db2.gz ILGRJEWWPRMIDN-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN COc1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)c1O ZINC000768132692 1045724343 /nfs/dbraw/zinc/72/43/43/1045724343.db2.gz ILGRJEWWPRMIDN-UHFFFAOYSA-N 0 3 341.451 4.441 20 10 EICDHN CCCn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000768132510 1045725060 /nfs/dbraw/zinc/72/50/60/1045725060.db2.gz GKPBBVFMUOBAJA-UHFFFAOYSA-N 0 3 327.472 4.334 20 10 EICDHN CCCn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000768132510 1045725046 /nfs/dbraw/zinc/72/50/46/1045725046.db2.gz GKPBBVFMUOBAJA-UHFFFAOYSA-N 0 3 327.472 4.334 20 10 EICDHN CCOc1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)c([O-])c1 ZINC000768138154 1045726698 /nfs/dbraw/zinc/72/66/98/1045726698.db2.gz PIFXCWPOGHENMN-IBGZPJMESA-N 0 3 326.440 4.303 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c([O-])c1 ZINC000768138154 1045726683 /nfs/dbraw/zinc/72/66/83/1045726683.db2.gz PIFXCWPOGHENMN-IBGZPJMESA-N 0 3 326.440 4.303 20 10 EICDHN CCCN(Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1F ZINC000768486399 1045814392 /nfs/dbraw/zinc/81/43/92/1045814392.db2.gz JFNSTRLBFONOJW-UHFFFAOYSA-N 0 3 342.458 4.075 20 10 EICDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1O ZINC000768872761 1045850633 /nfs/dbraw/zinc/85/06/33/1045850633.db2.gz IJIVDIFANAZJBC-UHFFFAOYSA-N 0 3 338.363 4.192 20 10 EICDHN C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1[O-] ZINC000768872761 1045850642 /nfs/dbraw/zinc/85/06/42/1045850642.db2.gz IJIVDIFANAZJBC-UHFFFAOYSA-N 0 3 338.363 4.192 20 10 EICDHN C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1[O-] ZINC000768872761 1045850646 /nfs/dbraw/zinc/85/06/46/1045850646.db2.gz IJIVDIFANAZJBC-UHFFFAOYSA-N 0 3 338.363 4.192 20 10 EICDHN Cc1ccc(O)c(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000768990492 1045868352 /nfs/dbraw/zinc/86/83/52/1045868352.db2.gz GBBYDKLIOWKXPE-RYUDHWBXSA-N 0 3 341.295 4.263 20 10 EICDHN CCOc1ccc(C[NH+]2CCC(n3c(C)ccc3C)CC2)c([O-])c1 ZINC000769208621 1045893974 /nfs/dbraw/zinc/89/39/74/1045893974.db2.gz MSOCZIDLWUKGND-UHFFFAOYSA-N 0 3 328.456 4.046 20 10 EICDHN CCC[N@H+](Cc1cnc(C)n1-c1ccccc1)Cc1ccccc1[O-] ZINC000769201539 1045894139 /nfs/dbraw/zinc/89/41/39/1045894139.db2.gz WGDGHZRENLQROP-UHFFFAOYSA-N 0 3 335.451 4.299 20 10 EICDHN CCC[N@@H+](Cc1cnc(C)n1-c1ccccc1)Cc1ccccc1[O-] ZINC000769201539 1045894143 /nfs/dbraw/zinc/89/41/43/1045894143.db2.gz WGDGHZRENLQROP-UHFFFAOYSA-N 0 3 335.451 4.299 20 10 EICDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)c([O-])c1 ZINC000769319681 1045921369 /nfs/dbraw/zinc/92/13/69/1045921369.db2.gz WMFYQXYRQCWHPO-GOSISDBHSA-N 0 3 327.424 4.137 20 10 EICDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c([O-])c1 ZINC000769319681 1045921381 /nfs/dbraw/zinc/92/13/81/1045921381.db2.gz WMFYQXYRQCWHPO-GOSISDBHSA-N 0 3 327.424 4.137 20 10 EICDHN Cn1ccc(C[N@H+](Cc2c([O-])ccc3ccccc32)C2CCCC2)n1 ZINC000769383801 1045942694 /nfs/dbraw/zinc/94/26/94/1045942694.db2.gz JZWRXTJSVLAKPJ-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN Cn1ccc(C[N@@H+](Cc2c([O-])ccc3ccccc32)C2CCCC2)n1 ZINC000769383801 1045942702 /nfs/dbraw/zinc/94/27/02/1045942702.db2.gz JZWRXTJSVLAKPJ-UHFFFAOYSA-N 0 3 335.451 4.224 20 10 EICDHN COc1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1OC ZINC000769384978 1045946135 /nfs/dbraw/zinc/94/61/35/1045946135.db2.gz RVFBLSZNRPKSQE-UHFFFAOYSA-N 0 3 341.451 4.354 20 10 EICDHN COc1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1OC ZINC000769384978 1045946125 /nfs/dbraw/zinc/94/61/25/1045946125.db2.gz RVFBLSZNRPKSQE-UHFFFAOYSA-N 0 3 341.451 4.354 20 10 EICDHN COc1cccc([O-])c1C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000769462878 1045983631 /nfs/dbraw/zinc/98/36/31/1045983631.db2.gz LHHVMUFHBALTSW-LIRRHRJNSA-N 0 3 329.465 4.079 20 10 EICDHN COc1cccc([O-])c1C[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000769462878 1045983638 /nfs/dbraw/zinc/98/36/38/1045983638.db2.gz LHHVMUFHBALTSW-LIRRHRJNSA-N 0 3 329.465 4.079 20 10 EICDHN CCOc1ccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c([O-])c1 ZINC000769559701 1046023096 /nfs/dbraw/zinc/02/30/96/1046023096.db2.gz QIXCMLCBAXQHHE-AWEZNQCLSA-N 0 3 333.378 4.059 20 10 EICDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c([O-])c1 ZINC000769559701 1046023080 /nfs/dbraw/zinc/02/30/80/1046023080.db2.gz QIXCMLCBAXQHHE-AWEZNQCLSA-N 0 3 333.378 4.059 20 10 EICDHN Cc1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000792918709 1046106970 /nfs/dbraw/zinc/10/69/70/1046106970.db2.gz CYSUWMGZKRPZCG-UHFFFAOYSA-N 0 3 328.403 4.431 20 10 EICDHN COc1ccc(CNCc2cc(Cl)cc(Cl)c2OC)c(O)c1 ZINC000793387550 1046229459 /nfs/dbraw/zinc/22/94/59/1046229459.db2.gz GNAMEZAFMMHYDB-UHFFFAOYSA-N 0 3 342.222 4.006 20 10 EICDHN COc1ccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)c([O-])c1 ZINC000793388674 1046231759 /nfs/dbraw/zinc/23/17/59/1046231759.db2.gz RGQAQRRZIITVIM-UHFFFAOYSA-N 0 3 348.446 4.459 20 10 EICDHN CC(C)(C)c1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000793580403 1046299766 /nfs/dbraw/zinc/29/97/66/1046299766.db2.gz QEDICFFTPVHVQR-UHFFFAOYSA-N 0 3 339.483 4.425 20 10 EICDHN CC(C)(C)c1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000793580403 1046299781 /nfs/dbraw/zinc/29/97/81/1046299781.db2.gz QEDICFFTPVHVQR-UHFFFAOYSA-N 0 3 339.483 4.425 20 10 EICDHN CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000771891184 1046520768 /nfs/dbraw/zinc/52/07/68/1046520768.db2.gz ZBTAXGPQAGWCBF-PZJWPPBQSA-N 0 3 325.452 4.352 20 10 EICDHN Cc1ccc(-c2n[nH]cc2CN(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000771935372 1046528375 /nfs/dbraw/zinc/52/83/75/1046528375.db2.gz PXMNVBULPFJCPX-UHFFFAOYSA-N 0 3 334.467 4.083 20 10 EICDHN CC(C)(COc1ncc(Cl)cc1Cl)[NH2+]Cc1ccccc1[O-] ZINC000771982929 1046541021 /nfs/dbraw/zinc/54/10/21/1046541021.db2.gz UMCHNCNUDYUEBQ-UHFFFAOYSA-N 0 3 341.238 4.041 20 10 EICDHN Oc1ccccc1CN[C@H]1CSc2ccc(Br)cc21 ZINC000785572044 1046724137 /nfs/dbraw/zinc/72/41/37/1046724137.db2.gz QHENUQIYXMYVCK-ZDUSSCGKSA-N 0 3 336.254 4.091 20 10 EICDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)cc1C)CCS2 ZINC000786576805 1046849064 /nfs/dbraw/zinc/84/90/64/1046849064.db2.gz BVPMCKDWFRNETK-IBGZPJMESA-N 0 3 342.508 4.396 20 10 EICDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2cnccc2c1)C[C@@H]1CCCO1 ZINC000787047607 1046899033 /nfs/dbraw/zinc/89/90/33/1046899033.db2.gz AQWDCBHIAVDXMD-NRFANRHFSA-N 0 3 348.446 4.122 20 10 EICDHN [O-]c1ccccc1C[N@H+](Cc1ccc2cnccc2c1)C[C@@H]1CCCO1 ZINC000787047607 1046899039 /nfs/dbraw/zinc/89/90/39/1046899039.db2.gz AQWDCBHIAVDXMD-NRFANRHFSA-N 0 3 348.446 4.122 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)c2c1c(F)ccc2[O-] ZINC000806176243 1047177790 /nfs/dbraw/zinc/17/77/90/1047177790.db2.gz KESYAIBZVSJFCX-XFBWCDHKSA-N 0 3 349.833 4.446 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c([O-])c1 ZINC000788563018 1047225429 /nfs/dbraw/zinc/22/54/29/1047225429.db2.gz JEKRNSSUFZRFIK-DLBZAZTESA-N 0 3 342.458 4.325 20 10 EICDHN CN(C)c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000788578463 1047236079 /nfs/dbraw/zinc/23/60/79/1047236079.db2.gz VABPLEFBWKBCSN-IBGZPJMESA-N 0 3 339.439 4.173 20 10 EICDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCc2ccc3c(c2)OCCO3)c([O-])c1 ZINC000788670130 1047268858 /nfs/dbraw/zinc/26/88/58/1047268858.db2.gz RUWZOAZVFDJNDQ-MRXNPFEDSA-N 0 3 341.451 4.064 20 10 EICDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](O)Cc1ccccc1 ZINC000746762058 1047290696 /nfs/dbraw/zinc/29/06/96/1047290696.db2.gz UJNMUDNTJLJSBZ-UZUQRXQVSA-N 0 3 347.458 4.141 20 10 EICDHN CCCOc1ccc(C[NH2+]Cc2ccc(OCC)cc2[O-])c(C)c1 ZINC000788970662 1047337366 /nfs/dbraw/zinc/33/73/66/1047337366.db2.gz UXQJEKYFQLTZOQ-UHFFFAOYSA-N 0 3 329.440 4.178 20 10 EICDHN CCOC1CC(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000788971010 1047337985 /nfs/dbraw/zinc/33/79/85/1047337985.db2.gz ZXQIHDYEQIXTEN-UHFFFAOYSA-N 0 3 325.452 4.354 20 10 EICDHN CCOc1cccc(CNCc2ccc(-c3ccco3)cc2F)c1O ZINC000790485054 1047595036 /nfs/dbraw/zinc/59/50/36/1047595036.db2.gz YLAFLQHVERHGHZ-UHFFFAOYSA-N 0 3 341.382 4.480 20 10 EICDHN COc1cc(O)c(CN[C@H](C)c2ccc(F)cc2Cl)cc1OC ZINC000824462592 1047876748 /nfs/dbraw/zinc/87/67/48/1047876748.db2.gz GICRIEJZKPRZRC-SNVBAGLBSA-N 0 3 339.794 4.053 20 10 EICDHN COCc1csc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000824556228 1047884000 /nfs/dbraw/zinc/88/40/00/1047884000.db2.gz MTJXPDCWIPOOTH-UHFFFAOYSA-N 0 3 330.497 4.125 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1[O-] ZINC000808690130 1048039202 /nfs/dbraw/zinc/03/92/02/1048039202.db2.gz JRVKPQOFTZWXSW-GFCCVEGCSA-N 0 3 337.851 4.144 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](Cn2ccnc2)C(C)(C)C)c1[O-] ZINC000808679420 1048048145 /nfs/dbraw/zinc/04/81/45/1048048145.db2.gz ONYJHSRXMMFTAK-XJKSGUPXSA-N 0 3 335.879 4.316 20 10 EICDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000808709178 1048057053 /nfs/dbraw/zinc/05/70/53/1048057053.db2.gz VNHJWTSJROCXHQ-KPZWWZAWSA-N 0 3 337.822 4.051 20 10 EICDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c1[O-] ZINC000808715359 1048060523 /nfs/dbraw/zinc/06/05/23/1048060523.db2.gz KFCUEDOSBSRWIW-AUUYWEPGSA-N 0 3 333.859 4.302 20 10 EICDHN Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808719529 1048066213 /nfs/dbraw/zinc/06/62/13/1048066213.db2.gz VERPWFDRTVPUCG-PJIJBLCYSA-N 0 3 333.859 4.435 20 10 EICDHN COc1cncc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000808727313 1048075134 /nfs/dbraw/zinc/07/51/34/1048075134.db2.gz WXPCVUSPPVEGLE-UHFFFAOYSA-N 0 3 326.440 4.131 20 10 EICDHN COc1cncc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000808727313 1048075151 /nfs/dbraw/zinc/07/51/51/1048075151.db2.gz WXPCVUSPPVEGLE-UHFFFAOYSA-N 0 3 326.440 4.131 20 10 EICDHN CCCC[N@H+](Cc1ccnc(Br)c1)Cc1ccccc1[O-] ZINC000815112597 1048326136 /nfs/dbraw/zinc/32/61/36/1048326136.db2.gz VKXDPBBRCOBJNH-UHFFFAOYSA-N 0 3 349.272 4.352 20 10 EICDHN CCCC[N@@H+](Cc1ccnc(Br)c1)Cc1ccccc1[O-] ZINC000815112597 1048326147 /nfs/dbraw/zinc/32/61/47/1048326147.db2.gz VKXDPBBRCOBJNH-UHFFFAOYSA-N 0 3 349.272 4.352 20 10 EICDHN CCCC(=O)Nc1cccc(C[NH2+][C@H](CC)c2ccccc2[O-])c1 ZINC000155186718 1048465854 /nfs/dbraw/zinc/46/58/54/1048465854.db2.gz FKBWEWCMKRBYDX-GOSISDBHSA-N 0 3 326.440 4.372 20 10 EICDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1[O-] ZINC000809776573 1048506301 /nfs/dbraw/zinc/50/63/01/1048506301.db2.gz JPOHUMDOGITSHP-INIZCTEOSA-N 0 3 340.250 4.221 20 10 EICDHN Cc1n[nH]cc1CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815557679 1048506938 /nfs/dbraw/zinc/50/69/38/1048506938.db2.gz AFJRHVPCCTYIMY-NRFANRHFSA-N 0 3 349.478 4.320 20 10 EICDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c([O-])c1 ZINC000815559097 1048507265 /nfs/dbraw/zinc/50/72/65/1048507265.db2.gz XOHAUONWXPUCKF-SFHVURJKSA-N 0 3 339.479 4.408 20 10 EICDHN COc1cccc(CNCc2ccc(-c3c(F)cccc3F)o2)c1O ZINC000809740223 1048513165 /nfs/dbraw/zinc/51/31/65/1048513165.db2.gz QGKFOCCRAGXOMA-UHFFFAOYSA-N 0 3 345.345 4.229 20 10 EICDHN CCC[C@](C)(O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815579923 1048520212 /nfs/dbraw/zinc/52/02/12/1048520212.db2.gz YPZBODYLXUBQNK-CTNGQTDRSA-N 0 3 327.468 4.207 20 10 EICDHN C[C@@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCCO1 ZINC000815587733 1048524954 /nfs/dbraw/zinc/52/49/54/1048524954.db2.gz RTNYUSLNUVNKDY-FPOVZHCZSA-N 0 3 325.452 4.225 20 10 EICDHN C[C@@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCCO1 ZINC000815587732 1048525538 /nfs/dbraw/zinc/52/55/38/1048525538.db2.gz RTNYUSLNUVNKDY-CTNGQTDRSA-N 0 3 325.452 4.225 20 10 EICDHN C[C@@H]1C[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCO1 ZINC000815590533 1048526933 /nfs/dbraw/zinc/52/69/33/1048526933.db2.gz ZBDFGQNTSWSQTA-YFVAEKQCSA-N 0 3 339.479 4.471 20 10 EICDHN C[C@H](O)CC(C)(C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595065 1048531266 /nfs/dbraw/zinc/53/12/66/1048531266.db2.gz GUTKWTAYITWJIS-PXNSSMCTSA-N 0 3 341.495 4.453 20 10 EICDHN CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815601020 1048532391 /nfs/dbraw/zinc/53/23/91/1048532391.db2.gz LMNNAPRCWZHPFD-SYYKKAFVSA-N 0 3 339.479 4.471 20 10 EICDHN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccccc1[O-] ZINC000815636122 1048564604 /nfs/dbraw/zinc/56/46/04/1048564604.db2.gz PGINBZSHUYWCFO-LSDHHAIUSA-N 0 3 340.423 4.151 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2cscc2C(F)(F)F)c1 ZINC000845971365 1048771287 /nfs/dbraw/zinc/77/12/87/1048771287.db2.gz JEVIFJJNYRWLCS-VIFPVBQESA-N 0 3 331.359 4.332 20 10 EICDHN COc1cccc([C@@H](C)NCc2ccccc2OCC2CC2)c1O ZINC000846144680 1048831388 /nfs/dbraw/zinc/83/13/88/1048831388.db2.gz LQJNCPIJTKTWQE-CQSZACIVSA-N 0 3 327.424 4.040 20 10 EICDHN CN(C)Cc1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])ccc1F ZINC000816552030 1048832101 /nfs/dbraw/zinc/83/21/01/1048832101.db2.gz YVPNKASDQUXFSS-UHFFFAOYSA-N 0 3 338.426 4.036 20 10 EICDHN COc1cccc([C@@H](C)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846204374 1048832647 /nfs/dbraw/zinc/83/26/47/1048832647.db2.gz ZSOGLYXLTOEMQE-MLGOLLRUSA-N 0 3 345.414 4.493 20 10 EICDHN CCN(C)c1ccc(CN2Cc3ccc(OC)cc3C3(CC3)C2)cc1 ZINC001170837098 1048850334 /nfs/dbraw/zinc/85/03/34/1048850334.db2.gz UPSZQFOLZPLIJJ-UHFFFAOYSA-N 0 3 336.479 4.199 20 10 EICDHN C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)ccc1[O-] ZINC000817975668 1049074756 /nfs/dbraw/zinc/07/47/56/1049074756.db2.gz PRIQVTGHRGYUFJ-ZBEGNZNMSA-N 0 3 330.403 4.067 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817985399 1049081258 /nfs/dbraw/zinc/08/12/58/1049081258.db2.gz JUQDYWVUTCYLPZ-DOMZBBRYSA-N 0 3 343.298 4.414 20 10 EICDHN COc1ccc(C[NH2+]C/C(C)=C/c2ccccc2OC(F)F)c([O-])c1 ZINC000811499560 1049113803 /nfs/dbraw/zinc/11/38/03/1049113803.db2.gz PQMVIZAQWPKEQU-UKTHLTGXSA-N 0 3 349.377 4.195 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512381 1049124291 /nfs/dbraw/zinc/12/42/91/1049124291.db2.gz CJTPUNOUVIZNSD-IBGZPJMESA-N 0 3 344.458 4.182 20 10 EICDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512381 1049124304 /nfs/dbraw/zinc/12/43/04/1049124304.db2.gz CJTPUNOUVIZNSD-IBGZPJMESA-N 0 3 344.458 4.182 20 10 EICDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000237573274 1049627482 /nfs/dbraw/zinc/62/74/82/1049627482.db2.gz CMWYPMFIINLKTD-BEFAXECRSA-N 0 3 344.886 4.188 20 10 EICDHN COc1cc(CN2CC=C(c3ccc(Cl)nc3)CC2)c(O)cc1C ZINC000773252170 1049673095 /nfs/dbraw/zinc/67/30/95/1049673095.db2.gz OBRUSDVDWZBREM-UHFFFAOYSA-N 0 3 344.842 4.047 20 10 EICDHN CC(C)[C@H](CNCc1cc(F)c(N(C)C)cc1F)Nc1ccccc1 ZINC001177186474 1050166603 /nfs/dbraw/zinc/16/66/03/1050166603.db2.gz QYRFUEWCGYOECE-IBGZPJMESA-N 0 3 347.453 4.257 20 10 EICDHN COc1cc(C)c([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1OC ZINC001177823162 1050297779 /nfs/dbraw/zinc/29/77/79/1050297779.db2.gz QWISNRRNXUBXLZ-CQSZACIVSA-N 0 3 346.446 4.068 20 10 EICDHN CCN(C)c1ccc(CN(C)[C@H]2CCCc3nc(C)sc32)cc1 ZINC000773770908 1050555993 /nfs/dbraw/zinc/55/59/93/1050555993.db2.gz FLVBKXGEEJNRFQ-SFHVURJKSA-N 0 3 329.513 4.417 20 10 EICDHN CCCOc1ccc(CNCc2ccc3c(c2)OC(F)(F)O3)cc1C ZINC001179011676 1050610462 /nfs/dbraw/zinc/61/04/62/1050610462.db2.gz OJQYVYMJMYVMFW-UHFFFAOYSA-N 0 3 349.377 4.395 20 10 EICDHN COc1ccc(O)c([C@H](C)NCc2csc(Br)c2)c1 ZINC000182410851 1050650378 /nfs/dbraw/zinc/65/03/78/1050650378.db2.gz DYMSPVKHRWGZIR-VIFPVBQESA-N 0 3 342.258 4.076 20 10 EICDHN Cc1cccc([C@H]2CCN(Cc3cc(F)c(N(C)C)cc3F)C2)c1 ZINC001180818485 1051090804 /nfs/dbraw/zinc/09/08/04/1051090804.db2.gz BFMKNZBXTYSASX-INIZCTEOSA-N 0 3 330.422 4.329 20 10 EICDHN CC[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000183326602 1051091740 /nfs/dbraw/zinc/09/17/40/1051091740.db2.gz OBOGRVLNSBHDIG-KRWDZBQOSA-N 0 3 348.487 4.080 20 10 EICDHN Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183456287 1051127018 /nfs/dbraw/zinc/12/70/18/1051127018.db2.gz WTSNDUOPWUXOJV-KRWDZBQOSA-N 0 3 335.451 4.170 20 10 EICDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(C(F)(F)F)c1 ZINC000183482768 1051131866 /nfs/dbraw/zinc/13/18/66/1051131866.db2.gz LVRMUZMAIRCPJM-LLVKDONJSA-N 0 3 325.330 4.270 20 10 EICDHN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])CN1CCCC1 ZINC000774133105 1051477875 /nfs/dbraw/zinc/47/78/75/1051477875.db2.gz WKIFMHNRVYTRSB-NEPJUHHUSA-N 0 3 331.287 4.082 20 10 EICDHN CCCN1CC[C@H](C[NH2+][C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000775490222 1051584828 /nfs/dbraw/zinc/58/48/28/1051584828.db2.gz AIRBYUJCEYQYKC-DOMZBBRYSA-N 0 3 345.314 4.472 20 10 EICDHN CC[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1[O-] ZINC000775495985 1051620713 /nfs/dbraw/zinc/62/07/13/1051620713.db2.gz CTJWJMKZAITZFX-MRXNPFEDSA-N 0 3 347.842 4.100 20 10 EICDHN CC[C@@H]([NH2+]CC(C)(C)c1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000775501946 1051632021 /nfs/dbraw/zinc/63/20/21/1051632021.db2.gz NEIIUMQHDMLIJE-QGZVFWFLSA-N 0 3 343.467 4.428 20 10 EICDHN CC[C@H]([NH2+]C[C@H](C)Cc1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000775526345 1051717942 /nfs/dbraw/zinc/71/79/42/1051717942.db2.gz QWOBOUXHOMPXAK-QAPCUYQASA-N 0 3 343.467 4.329 20 10 EICDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000774639950 1051853498 /nfs/dbraw/zinc/85/34/98/1051853498.db2.gz NRHPHIJRZYYYRE-AWEZNQCLSA-N 0 3 331.412 4.053 20 10 EICDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000774639950 1051853501 /nfs/dbraw/zinc/85/35/01/1051853501.db2.gz NRHPHIJRZYYYRE-AWEZNQCLSA-N 0 3 331.412 4.053 20 10 EICDHN CN(C)c1ccc(/C=C/CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC001183798519 1051901202 /nfs/dbraw/zinc/90/12/02/1051901202.db2.gz FPCNPAUOPDCJRG-CWDCEQMOSA-N 0 3 342.380 4.132 20 10 EICDHN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183822753 1051908384 /nfs/dbraw/zinc/90/83/84/1051908384.db2.gz LVWJXSDCGWVJSC-NXXWWENFSA-N 0 3 337.463 4.353 20 10 EICDHN C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2cccc(Cl)c2[O-])CC1 ZINC001184265622 1051980815 /nfs/dbraw/zinc/98/08/15/1051980815.db2.gz UCLIDKRZJGETFW-KBXCAEBGSA-N 0 3 336.907 4.178 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)c([O-])c1 ZINC000184835974 1052247118 /nfs/dbraw/zinc/24/71/18/1052247118.db2.gz ZLKLXXZAGMTFOY-NVXWUHKLSA-N 0 3 330.497 4.250 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])c1ccc2c(c1)OCCO2 ZINC000185107271 1052434748 /nfs/dbraw/zinc/43/47/48/1052434748.db2.gz YWJBHBJPBQHYBC-YOEHRIQHSA-N 0 3 327.424 4.274 20 10 EICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c([O-])c1 ZINC000185245753 1052550137 /nfs/dbraw/zinc/55/01/37/1052550137.db2.gz GCEKYLBHMQMYCH-SJORKVTESA-N 0 3 344.524 4.325 20 10 EICDHN COCc1csc(CNCc2ccc(N3CCCCC3)cc2)c1 ZINC000850096876 1053073548 /nfs/dbraw/zinc/07/35/48/1053073548.db2.gz YHPOYHPDDQEYGD-UHFFFAOYSA-N 0 3 330.497 4.175 20 10 EICDHN COc1cc(F)cc(CNCc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC000850235390 1053095467 /nfs/dbraw/zinc/09/54/67/1053095467.db2.gz XRICFZFDJSHMND-UHFFFAOYSA-N 0 3 347.430 4.136 20 10 EICDHN COCC[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)c1ccco1 ZINC000850241142 1053096498 /nfs/dbraw/zinc/09/64/98/1053096498.db2.gz UNOOGKLSNAITNL-QGZVFWFLSA-N 0 3 347.455 4.159 20 10 EICDHN Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000850391061 1053158360 /nfs/dbraw/zinc/15/83/60/1053158360.db2.gz CFEDWSIJPRVHDD-UHFFFAOYSA-N 0 3 347.462 4.350 20 10 EICDHN Cn1cc(CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cn1 ZINC000101594366 1053234171 /nfs/dbraw/zinc/23/41/71/1053234171.db2.gz VLOLNRZJBBLVCJ-UHFFFAOYSA-N 0 3 329.488 4.011 20 10 EICDHN CN(C)c1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000764635024 1053241500 /nfs/dbraw/zinc/24/15/00/1053241500.db2.gz KTEBZOUHVHYXLD-GOSISDBHSA-N 0 3 330.859 4.410 20 10 EICDHN CN(C)c1ccc(CN[C@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000764635678 1053243191 /nfs/dbraw/zinc/24/31/91/1053243191.db2.gz LTECYMLOWSNTER-SFHVURJKSA-N 0 3 330.859 4.410 20 10 EICDHN COc1ccc(O)c(CN(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000775633260 1053254158 /nfs/dbraw/zinc/25/41/58/1053254158.db2.gz GVTYSQIGVABYGP-UHFFFAOYSA-N 0 3 325.330 4.052 20 10 EICDHN C[C@H](N[C@@H](CCc1ccccc1)c1ccccc1O)c1nccn1C ZINC000850572469 1053328048 /nfs/dbraw/zinc/32/80/48/1053328048.db2.gz KMGJAIUGGPGUKB-LPHOPBHVSA-N 0 3 335.451 4.150 20 10 EICDHN COc1ccccc1-c1cc(CN[C@@H](C)c2ccc(C)cc2O)on1 ZINC000850585143 1053336450 /nfs/dbraw/zinc/33/64/50/1053336450.db2.gz VWKCOPXOGCAZMU-AWEZNQCLSA-N 0 3 338.407 4.215 20 10 EICDHN CC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(C)cc1[O-] ZINC000794799049 1053383782 /nfs/dbraw/zinc/38/37/82/1053383782.db2.gz YFJXQQFMVBKMRB-HXUWFJFHSA-N 0 3 335.451 4.186 20 10 EICDHN CC[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(C)cc1[O-] ZINC000794802841 1053386433 /nfs/dbraw/zinc/38/64/33/1053386433.db2.gz GUTMCBRZSJTEOP-FQEVSTJZSA-N 0 3 335.451 4.170 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794792902 1053386613 /nfs/dbraw/zinc/38/66/13/1053386613.db2.gz HIZDHKCVTXZYFI-ZWKOTPCHSA-N 0 3 328.456 4.171 20 10 EICDHN CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794794385 1053386843 /nfs/dbraw/zinc/38/68/43/1053386843.db2.gz MXHLITCALIKGGI-RHSMWYFYSA-N 0 3 327.424 4.274 20 10 EICDHN CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000794791925 1053387356 /nfs/dbraw/zinc/38/73/56/1053387356.db2.gz COQGXZUBASGBRS-QGZVFWFLSA-N 0 3 329.440 4.001 20 10 EICDHN CC[C@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)cc1[O-] ZINC000794804989 1053391848 /nfs/dbraw/zinc/39/18/48/1053391848.db2.gz OPICOQQPUCOLFX-RBUKOAKNSA-N 0 3 342.483 4.480 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1[O-] ZINC000794803148 1053395623 /nfs/dbraw/zinc/39/56/23/1053395623.db2.gz QPPKRNHFVCOHLO-TZIWHRDSSA-N 0 3 343.467 4.262 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794803719 1053397012 /nfs/dbraw/zinc/39/70/12/1053397012.db2.gz SMOPEPSUZBLEQG-DNVCBOLYSA-N 0 3 329.440 4.217 20 10 EICDHN CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC(C)C)c1)c1ccc(C)cc1[O-] ZINC000794803656 1053398156 /nfs/dbraw/zinc/39/81/56/1053398156.db2.gz RFGIVNIRWWDCPX-CTNGQTDRSA-N 0 3 343.467 4.262 20 10 EICDHN C[N@H+](Cc1ccc(Cl)c(Br)c1)Cc1ccccc1[O-] ZINC000775655714 1053410944 /nfs/dbraw/zinc/41/09/44/1053410944.db2.gz KGQOFWISNINESF-UHFFFAOYSA-N 0 3 340.648 4.440 20 10 EICDHN C[N@@H+](Cc1ccc(Cl)c(Br)c1)Cc1ccccc1[O-] ZINC000775655714 1053410956 /nfs/dbraw/zinc/41/09/56/1053410956.db2.gz KGQOFWISNINESF-UHFFFAOYSA-N 0 3 340.648 4.440 20 10 EICDHN CC[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(C)cc1[O-] ZINC000794813183 1053420379 /nfs/dbraw/zinc/42/03/79/1053420379.db2.gz NYVRCSBHRWCMKM-MRXNPFEDSA-N 0 3 325.408 4.159 20 10 EICDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(C)cc1[O-] ZINC000794815272 1053421411 /nfs/dbraw/zinc/42/14/11/1053421411.db2.gz JPQRSLNPLUXAOW-SJLPKXTDSA-N 0 3 337.822 4.267 20 10 EICDHN CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794812352 1053427799 /nfs/dbraw/zinc/42/77/99/1053427799.db2.gz WCOIGSOCNZFLIC-ZOCIIQOWSA-N 0 3 331.431 4.393 20 10 EICDHN CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cccc(C)c1O ZINC000775668549 1053459693 /nfs/dbraw/zinc/45/96/93/1053459693.db2.gz FIUDZTIHWNDXJN-IBGZPJMESA-N 0 3 335.451 4.407 20 10 EICDHN CCOc1ccc(O)c(CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000120547426 1053496775 /nfs/dbraw/zinc/49/67/75/1053496775.db2.gz XNCNVYIBTIFTOD-KRWDZBQOSA-N 0 3 347.480 4.034 20 10 EICDHN CC[C@@H](CC(F)F)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851841916 1053523696 /nfs/dbraw/zinc/52/36/96/1053523696.db2.gz ZUMARYQPOJIVDK-GOEBONIOSA-N 0 3 327.415 4.055 20 10 EICDHN CC[C@@H](CC(F)F)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851841916 1053523705 /nfs/dbraw/zinc/52/37/05/1053523705.db2.gz ZUMARYQPOJIVDK-GOEBONIOSA-N 0 3 327.415 4.055 20 10 EICDHN Oc1ccccc1CN(Cc1nc2c(s1)CCC2)C1CCCC1 ZINC000775691262 1053615885 /nfs/dbraw/zinc/61/58/85/1053615885.db2.gz OSXPEKDWVLARGY-UHFFFAOYSA-N 0 3 328.481 4.282 20 10 EICDHN CC[C@H]1C[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000780754116 1053659141 /nfs/dbraw/zinc/65/91/41/1053659141.db2.gz MTSHSUAXACWXNJ-AEFFLSMTSA-N 0 3 329.440 4.193 20 10 EICDHN CC[C@H]1C[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000780754116 1053659157 /nfs/dbraw/zinc/65/91/57/1053659157.db2.gz MTSHSUAXACWXNJ-AEFFLSMTSA-N 0 3 329.440 4.193 20 10 EICDHN CC[C@H](N[C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1O ZINC000853242822 1053659900 /nfs/dbraw/zinc/65/99/00/1053659900.db2.gz SSJMCUUCDWIUHC-ZWKOTPCHSA-N 0 3 333.435 4.306 20 10 EICDHN CC[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1[O-] ZINC000853242822 1053659906 /nfs/dbraw/zinc/65/99/06/1053659906.db2.gz SSJMCUUCDWIUHC-ZWKOTPCHSA-N 0 3 333.435 4.306 20 10 EICDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc2[nH]c(=O)oc2c1 ZINC000866486147 1053750758 /nfs/dbraw/zinc/75/07/58/1053750758.db2.gz ZPDXMLPGVUYMQX-ISTVAULSSA-N 0 3 342.370 4.277 20 10 EICDHN Cc1ccc([C@@H](C)NCc2ccc(Br)cn2)c(O)c1C ZINC000866569175 1053791233 /nfs/dbraw/zinc/79/12/33/1053791233.db2.gz NMZHZZVMMMPCHU-GFCCVEGCSA-N 0 3 335.245 4.017 20 10 EICDHN C[C@@H](NCc1cc(Cl)cs1)c1ccc(N2CCOCC2)cc1 ZINC000785438126 1053849598 /nfs/dbraw/zinc/84/95/98/1053849598.db2.gz CKQKDSHFUSSYHL-CYBMUJFWSA-N 0 3 336.888 4.089 20 10 EICDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000122778506 1054035751 /nfs/dbraw/zinc/03/57/51/1054035751.db2.gz VUEVDRMACJTTLX-SFHVURJKSA-N 0 3 348.494 4.157 20 10 EICDHN CC(C)c1cccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775833155 1054107975 /nfs/dbraw/zinc/10/79/75/1054107975.db2.gz GSSDUQNVJNDFEZ-INIZCTEOSA-N 0 3 339.483 4.165 20 10 EICDHN CC(C)c1ccccc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775835227 1054114326 /nfs/dbraw/zinc/11/43/26/1054114326.db2.gz GDTWDTSOMLVIGZ-MRXNPFEDSA-N 0 3 339.483 4.165 20 10 EICDHN Cc1cc([O-])c(C[NH2+]C2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC001198959274 1054314255 /nfs/dbraw/zinc/31/42/55/1054314255.db2.gz MIJQBMMKNMASIA-UHFFFAOYSA-N 0 3 344.886 4.108 20 10 EICDHN CCCOc1ccc(CNCc2ccc3c(c2)CCCO3)cc1OC ZINC001199179300 1054360356 /nfs/dbraw/zinc/36/03/56/1054360356.db2.gz YCZXDRSNZJHZFH-UHFFFAOYSA-N 0 3 341.451 4.099 20 10 EICDHN Brc1sccc1CNCCCSc1nccs1 ZINC000858141251 1054422816 /nfs/dbraw/zinc/42/28/16/1054422816.db2.gz NCIQDPOOPPBFKJ-UHFFFAOYSA-N 0 3 349.344 4.239 20 10 EICDHN CO[C@H](CN[C@H](C)c1ccc(N2CCCCCC2)cc1)C(F)(F)F ZINC000777006428 1054427362 /nfs/dbraw/zinc/42/73/62/1054427362.db2.gz JHXUIFZRYVEBBA-RHSMWYFYSA-N 0 3 344.421 4.295 20 10 EICDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC000776012353 1054445227 /nfs/dbraw/zinc/44/52/27/1054445227.db2.gz YSIGQOQAOMKUAE-QZTJIDSGSA-N 0 3 325.452 4.382 20 10 EICDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC000776012353 1054445236 /nfs/dbraw/zinc/44/52/36/1054445236.db2.gz YSIGQOQAOMKUAE-QZTJIDSGSA-N 0 3 325.452 4.382 20 10 EICDHN CCN(CC)c1ccc(CN[C@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000858343219 1054468156 /nfs/dbraw/zinc/46/81/56/1054468156.db2.gz ZJSDCSOXJSWDBY-NRFANRHFSA-N 0 3 339.483 4.177 20 10 EICDHN CCCOc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1C ZINC000873050426 1054482660 /nfs/dbraw/zinc/48/26/60/1054482660.db2.gz WCPSFWYNJYGTEW-CQSZACIVSA-N 0 3 339.439 4.217 20 10 EICDHN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H]1CCCc2scnc21 ZINC000858425003 1054487641 /nfs/dbraw/zinc/48/76/41/1054487641.db2.gz AWAVCKLBQXIHJW-PBHICJAKSA-N 0 3 329.513 4.116 20 10 EICDHN CCOc1cccc(CN[C@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000873185117 1054504280 /nfs/dbraw/zinc/50/42/80/1054504280.db2.gz PAGCPDPSFOWGSY-LLVKDONJSA-N 0 3 340.345 4.056 20 10 EICDHN C[C@H]([NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccccc1[O-] ZINC000858574441 1054523737 /nfs/dbraw/zinc/52/37/37/1054523737.db2.gz KRVWZXIGDAFGFJ-ZBEGNZNMSA-N 0 3 340.250 4.473 20 10 EICDHN C[C@@H]([NH2+]Cc1ccccc1CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000858591665 1054528085 /nfs/dbraw/zinc/52/80/85/1054528085.db2.gz XQRQFXKUGRQTFK-LLVKDONJSA-N 0 3 327.321 4.487 20 10 EICDHN Cc1cccc(O)c1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000876630651 1054939638 /nfs/dbraw/zinc/93/96/38/1054939638.db2.gz HMKRPHHNNZSWRF-GHMZBOCLSA-N 0 3 341.295 4.263 20 10 EICDHN COc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000126365382 1055028497 /nfs/dbraw/zinc/02/84/97/1055028497.db2.gz QVDSNQFSARAKST-OAHLLOKOSA-N 0 3 343.446 4.070 20 10 EICDHN Cc1cc(Cl)cc(CNCc2cccc(OC(C)(C)C)n2)c1O ZINC000776253686 1055058413 /nfs/dbraw/zinc/05/84/13/1055058413.db2.gz OBGINZIRPJTZSZ-UHFFFAOYSA-N 0 3 334.847 4.216 20 10 EICDHN C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccccc1[O-] ZINC000877756582 1055113861 /nfs/dbraw/zinc/11/38/61/1055113861.db2.gz VPFPHJSJWHHUBN-CYBMUJFWSA-N 0 3 330.453 4.017 20 10 EICDHN C[C@@H]([NH2+]Cc1cnc(CCc2ccccc2)s1)c1ccccc1[O-] ZINC000877755814 1055114426 /nfs/dbraw/zinc/11/44/26/1055114426.db2.gz NOZLNLWKWCGRKP-OAHLLOKOSA-N 0 3 338.476 4.485 20 10 EICDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])cc(C(F)(F)F)c1 ZINC000877755953 1055114891 /nfs/dbraw/zinc/11/48/91/1055114891.db2.gz USRXZFZGTZLOTN-LLVKDONJSA-N 0 3 325.330 4.270 20 10 EICDHN Cc1cccc(O)c1CNCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000877807457 1055123420 /nfs/dbraw/zinc/12/34/20/1055123420.db2.gz RGKCJGDQMDKKIU-UHFFFAOYSA-N 0 3 330.737 4.058 20 10 EICDHN COc1ccc(O)c([C@@H](C)NCc2oc(-c3ccccc3)nc2C)c1 ZINC000878360634 1055266679 /nfs/dbraw/zinc/26/66/79/1055266679.db2.gz QINIBQUWKBNVIM-CYBMUJFWSA-N 0 3 338.407 4.215 20 10 EICDHN CCN1CCN(c2ccccc2N[C@H](C)c2ccc(C)cc2O)CC1 ZINC000186361562 1055391475 /nfs/dbraw/zinc/39/14/75/1055391475.db2.gz IGFVKBSAGHHOQE-QGZVFWFLSA-N 0 3 339.483 4.016 20 10 EICDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168664430 1056508568 /nfs/dbraw/zinc/50/85/68/1056508568.db2.gz GTBUIIRVUKFWMR-GHTZIAJQSA-N 0 3 341.451 4.143 20 10 EICDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168664430 1056508584 /nfs/dbraw/zinc/50/85/84/1056508584.db2.gz GTBUIIRVUKFWMR-GHTZIAJQSA-N 0 3 341.451 4.143 20 10 EICDHN Cc1cc(O)c(CN2C[C@H](c3ccccc3C)OC[C@H]2C)cc1C ZINC000742165261 1058525313 /nfs/dbraw/zinc/52/53/13/1058525313.db2.gz JEJQHBXMIRSBRP-DYESRHJHSA-N 0 3 325.452 4.279 20 10 EICDHN CC1(C)[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])[C@H]2CCCO[C@@H]21 ZINC000742376788 1058602531 /nfs/dbraw/zinc/60/25/31/1058602531.db2.gz HGZULDOFIGCISK-NRSPTQNISA-N 0 3 337.463 4.352 20 10 EICDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(C)cc(C)c1 ZINC001169753928 1060940706 /nfs/dbraw/zinc/94/07/06/1060940706.db2.gz DNGJXNMOVRMBFP-NRFANRHFSA-N 0 3 327.468 4.345 20 10 EICDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(C)cc(C)c1 ZINC001169753928 1060940724 /nfs/dbraw/zinc/94/07/24/1060940724.db2.gz DNGJXNMOVRMBFP-NRFANRHFSA-N 0 3 327.468 4.345 20 10 EICDHN