smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000796662751 849354834 /nfs/dbraw/zinc/35/48/34/849354834.db2.gz HNMAJXITHXJTJG-ZWKOTPCHSA-N 2 2 377.529 3.622 20 10 GHCDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765430789 859971891 /nfs/dbraw/zinc/97/18/91/859971891.db2.gz ZYMUFGWASKXJSS-INIZCTEOSA-N 2 2 377.960 3.844 20 10 GHCDLP Oc1ccc(F)cc1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000809753724 887791995 /nfs/dbraw/zinc/79/19/95/887791995.db2.gz YTITXWPGMFLWHT-UHFFFAOYSA-N 2 2 394.244 3.786 20 10 GHCDLP Oc1ccc(F)cc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000809753724 887792011 /nfs/dbraw/zinc/79/20/11/887792011.db2.gz YTITXWPGMFLWHT-UHFFFAOYSA-N 2 2 394.244 3.786 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(SC)s3)CC2)cc1 ZINC000810125749 888189362 /nfs/dbraw/zinc/18/93/62/888189362.db2.gz LNYAXNZFEXXGFE-UHFFFAOYSA-N 2 2 391.606 3.781 20 10 GHCDLP C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763339407 888513324 /nfs/dbraw/zinc/51/33/24/888513324.db2.gz QQUUWOQVQIEJMT-UWJYYQICSA-N 2 2 393.531 3.749 20 10 GHCDLP C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763339407 888513332 /nfs/dbraw/zinc/51/33/32/888513332.db2.gz QQUUWOQVQIEJMT-UWJYYQICSA-N 2 2 393.531 3.749 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000877064712 893465283 /nfs/dbraw/zinc/46/52/83/893465283.db2.gz VNJNYBLDYNLPOR-SFHVURJKSA-N 2 2 376.504 3.684 20 10 GHCDLP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1-c1ccc(F)cc1 ZINC000817940437 895968445 /nfs/dbraw/zinc/96/84/45/895968445.db2.gz GIFAIYYMHIJJTQ-NYHFZMIOSA-N 2 2 381.499 3.736 20 10 GHCDLP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1-c1ccc(F)cc1 ZINC000817940442 895968989 /nfs/dbraw/zinc/96/89/89/895968989.db2.gz GIFAIYYMHIJJTQ-QRQCRPRQSA-N 2 2 381.499 3.736 20 10 GHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Br)ccc1O ZINC000817941065 895970606 /nfs/dbraw/zinc/97/06/06/895970606.db2.gz IKVKNVORLZIUGO-YVEFUNNKSA-N 2 2 378.314 3.571 20 10 GHCDLP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515059 902317507 /nfs/dbraw/zinc/31/75/07/902317507.db2.gz CVLYMLBAZHOCNH-UHFFFAOYSA-N 2 2 376.884 3.553 20 10 GHCDLP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515059 902317521 /nfs/dbraw/zinc/31/75/21/902317521.db2.gz CVLYMLBAZHOCNH-UHFFFAOYSA-N 2 2 376.884 3.553 20 10 GHCDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000925793158 931905510 /nfs/dbraw/zinc/90/55/10/931905510.db2.gz HVKGRVXIWXBPBV-HKUYNNGSSA-N 2 2 375.532 3.625 20 10 GHCDLP COc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc(O)c1O ZINC001204342577 1032783416 /nfs/dbraw/zinc/78/34/16/1032783416.db2.gz NJUDLUJGSYINJV-IPJJNNNSSA-N 2 2 382.504 3.717 20 10 GHCDLP COc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc(O)c1O ZINC001204342577 1032783427 /nfs/dbraw/zinc/78/34/27/1032783427.db2.gz NJUDLUJGSYINJV-IPJJNNNSSA-N 2 2 382.504 3.717 20 10 GHCDLP COc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)cc(O)c1O ZINC001204342577 1032783440 /nfs/dbraw/zinc/78/34/40/1032783440.db2.gz NJUDLUJGSYINJV-IPJJNNNSSA-N 2 2 382.504 3.717 20 10 GHCDLP COc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cc(O)c1O ZINC001204342577 1032783451 /nfs/dbraw/zinc/78/34/51/1032783451.db2.gz NJUDLUJGSYINJV-IPJJNNNSSA-N 2 2 382.504 3.717 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140663766 1022204219 /nfs/dbraw/zinc/20/42/19/1022204219.db2.gz OUJTVXHRFFAKFE-OAQYLSRUSA-N 2 2 397.538 3.616 20 10 GHCDLP C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140663766 1022204240 /nfs/dbraw/zinc/20/42/40/1022204240.db2.gz OUJTVXHRFFAKFE-OAQYLSRUSA-N 2 2 397.538 3.616 20 10 GHCDLP C[NH+](Cc1ccc(N2CCOCC2)cc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001140663766 1022204257 /nfs/dbraw/zinc/20/42/57/1022204257.db2.gz OUJTVXHRFFAKFE-OAQYLSRUSA-N 2 2 397.538 3.616 20 10 GHCDLP C[NH+](Cc1ccc(N2CCOCC2)cc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140663766 1022204269 /nfs/dbraw/zinc/20/42/69/1022204269.db2.gz OUJTVXHRFFAKFE-OAQYLSRUSA-N 2 2 397.538 3.616 20 10 GHCDLP Cc1ccc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(O)c1 ZINC001140950427 1022972975 /nfs/dbraw/zinc/97/29/75/1022972975.db2.gz SSMGDXCQQCXLBL-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1ccc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(O)c1 ZINC001140950427 1022972982 /nfs/dbraw/zinc/97/29/82/1022972982.db2.gz SSMGDXCQQCXLBL-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1ccc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c(O)c1 ZINC001140950427 1022972991 /nfs/dbraw/zinc/97/29/91/1022972991.db2.gz SSMGDXCQQCXLBL-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1ccc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c(O)c1 ZINC001140950427 1022972993 /nfs/dbraw/zinc/97/29/93/1022972993.db2.gz SSMGDXCQQCXLBL-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP CN1CCOc2cc(C[NH+]3CCC([N@@H+]4CCc5ccccc5C4)CC3)ccc21 ZINC001141143730 1023579437 /nfs/dbraw/zinc/57/94/37/1023579437.db2.gz HWCFWZWLOUPRKH-UHFFFAOYSA-N 2 2 377.532 3.538 20 10 GHCDLP CN1CCOc2cc(C[NH+]3CCC([N@H+]4CCc5ccccc5C4)CC3)ccc21 ZINC001141143730 1023579445 /nfs/dbraw/zinc/57/94/45/1023579445.db2.gz HWCFWZWLOUPRKH-UHFFFAOYSA-N 2 2 377.532 3.538 20 10 GHCDLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499419 1024932273 /nfs/dbraw/zinc/93/22/73/1024932273.db2.gz IOZDHTZGDJNSOL-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499419 1024932276 /nfs/dbraw/zinc/93/22/76/1024932276.db2.gz IOZDHTZGDJNSOL-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001461431624 1069547176 /nfs/dbraw/zinc/54/71/76/1069547176.db2.gz MBGOTJOTDPNAFU-BNHFJAFVSA-N 2 2 379.548 3.647 20 10 GHCDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001461431624 1069547181 /nfs/dbraw/zinc/54/71/81/1069547181.db2.gz MBGOTJOTDPNAFU-BNHFJAFVSA-N 2 2 379.548 3.647 20 10 GHCDLP C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@H]1C[NH3+] ZINC001205655370 1033513952 /nfs/dbraw/zinc/51/39/52/1033513952.db2.gz ZRHGTJPGTLIXRL-GHMZBOCLSA-N 2 2 395.263 3.980 20 10 GHCDLP C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@H]1C[NH3+] ZINC001205655370 1033513963 /nfs/dbraw/zinc/51/39/63/1033513963.db2.gz ZRHGTJPGTLIXRL-GHMZBOCLSA-N 2 2 395.263 3.980 20 10 GHCDLP Oc1c(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1C(F)(F)F ZINC001235376346 1040887313 /nfs/dbraw/zinc/88/73/13/1040887313.db2.gz FPAUYTGVNKVBJS-QUCCMNQESA-N 2 2 376.422 3.990 20 10 GHCDLP Oc1c(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1C(F)(F)F ZINC001235376346 1040887336 /nfs/dbraw/zinc/88/73/36/1040887336.db2.gz FPAUYTGVNKVBJS-QUCCMNQESA-N 2 2 376.422 3.990 20 10 GHCDLP C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)CC1=CS[C@@H]([NH3+])N1 ZINC001236103709 1041535686 /nfs/dbraw/zinc/53/56/86/1041535686.db2.gz WRRKKJRVMATOBC-QHCPKHFHSA-N 2 2 377.557 3.959 20 10 GHCDLP C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)CC1=CS[C@@H]([NH3+])N1 ZINC001236103709 1041535708 /nfs/dbraw/zinc/53/57/08/1041535708.db2.gz WRRKKJRVMATOBC-QHCPKHFHSA-N 2 2 377.557 3.959 20 10 GHCDLP COc1ccc(C[N@H+](Cc2cc(F)c(F)cc2O)C2CC[NH2+]CC2)cc1F ZINC001236516461 1041750010 /nfs/dbraw/zinc/75/00/10/1041750010.db2.gz OWMCLBZNWNUIHW-UHFFFAOYSA-N 2 2 380.410 3.572 20 10 GHCDLP COc1ccc(C[N@@H+](Cc2cc(F)c(F)cc2O)C2CC[NH2+]CC2)cc1F ZINC001236516461 1041750015 /nfs/dbraw/zinc/75/00/15/1041750015.db2.gz OWMCLBZNWNUIHW-UHFFFAOYSA-N 2 2 380.410 3.572 20 10 GHCDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc(O)c(Br)cc1O ZINC001236762997 1041877999 /nfs/dbraw/zinc/87/79/99/1041877999.db2.gz UBGXBMKIHTVTHM-UHFFFAOYSA-N 2 2 388.265 3.678 20 10 GHCDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc(O)c(Br)cc1O ZINC001236762997 1041878003 /nfs/dbraw/zinc/87/80/03/1041878003.db2.gz UBGXBMKIHTVTHM-UHFFFAOYSA-N 2 2 388.265 3.678 20 10 GHCDLP C[NH+]1CCC([N@H+](Cc2cc(O)c(Br)cc2O)C2CCCC2)CC1 ZINC001236764128 1041878747 /nfs/dbraw/zinc/87/87/47/1041878747.db2.gz GEMMNQXYYMMRMI-UHFFFAOYSA-N 2 2 383.330 3.699 20 10 GHCDLP C[NH+]1CCC([N@@H+](Cc2cc(O)c(Br)cc2O)C2CCCC2)CC1 ZINC001236764128 1041878753 /nfs/dbraw/zinc/87/87/53/1041878753.db2.gz GEMMNQXYYMMRMI-UHFFFAOYSA-N 2 2 383.330 3.699 20 10 GHCDLP O=[N+]([O-])c1cc(C[NH2+]CCCCNc2cccc[nH+]2)ccc1N1CCCCC1 ZINC000738429769 1043284540 /nfs/dbraw/zinc/28/45/40/1043284540.db2.gz HVWCVAZZEOJQPM-UHFFFAOYSA-N 2 2 383.496 3.962 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c2c1c(F)ccc2O ZINC001320125025 1055664853 /nfs/dbraw/zinc/66/48/53/1055664853.db2.gz PPIYTKDIRQXCMH-UZLBHIALSA-N 2 2 383.511 3.617 20 10 GHCDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001320181280 1055695362 /nfs/dbraw/zinc/69/53/62/1055695362.db2.gz WQXIGDPBBHVTFK-GOSISDBHSA-N 2 2 397.523 3.773 20 10 GHCDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001320181280 1055695366 /nfs/dbraw/zinc/69/53/66/1055695366.db2.gz WQXIGDPBBHVTFK-GOSISDBHSA-N 2 2 397.523 3.773 20 10 GHCDLP Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848929114 1057430106 /nfs/dbraw/zinc/43/01/06/1057430106.db2.gz ASKHEQBORUWZDU-JOCHJYFZSA-N 2 2 396.531 3.658 20 10 GHCDLP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848929114 1057430111 /nfs/dbraw/zinc/43/01/11/1057430111.db2.gz ASKHEQBORUWZDU-JOCHJYFZSA-N 2 2 396.531 3.658 20 10 GHCDLP C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001200253323 1065743987 /nfs/dbraw/zinc/74/39/87/1065743987.db2.gz AADAZGXUMQPXKP-ZDUSSCGKSA-N 2 2 395.881 3.926 20 10 GHCDLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001279106153 835577677 /nfs/dbraw/zinc/57/76/77/835577677.db2.gz HTFXRRPTAIEBOW-UHFFFAOYSA-N 2 2 379.476 3.533 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000768530618 873364457 /nfs/dbraw/zinc/36/44/57/873364457.db2.gz NDQACJDLMGONGA-JOCHJYFZSA-N 2 2 385.939 3.665 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000768530618 873364471 /nfs/dbraw/zinc/36/44/71/873364471.db2.gz NDQACJDLMGONGA-JOCHJYFZSA-N 2 2 385.939 3.665 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)[C@@H](OC)c3ccccc3)CC2)cc1 ZINC000786784375 876936368 /nfs/dbraw/zinc/93/63/68/876936368.db2.gz UEOPUCYJLBMDDR-GBXCKJPGSA-N 2 2 397.563 3.573 20 10 GHCDLP Cc1[nH+]cn(-c2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2)c1C ZINC000812785009 890964831 /nfs/dbraw/zinc/96/48/31/890964831.db2.gz BYXBRXIWHORIIT-UHFFFAOYSA-N 2 2 375.520 3.853 20 10 GHCDLP COc1ccc([C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000817903623 895956344 /nfs/dbraw/zinc/95/63/44/895956344.db2.gz SADYYVFUJIQBKA-DNQXCXABSA-N 2 2 395.547 3.756 20 10 GHCDLP CC[NH+]1CCN(c2ccc(CNC(=O)Nc3c(C)cc(C)[nH+]c3C)cc2F)CC1 ZINC000836629245 1023190398 /nfs/dbraw/zinc/19/03/98/1023190398.db2.gz MKJMIFCQDHHGNS-UHFFFAOYSA-N 2 2 399.514 3.610 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc(C)cc3O)CC2)cc1 ZINC000756361437 1023606349 /nfs/dbraw/zinc/60/63/49/1023606349.db2.gz ZGDHWACRCANXOP-LJQANCHMSA-N 2 2 383.536 3.572 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000756622830 1023741763 /nfs/dbraw/zinc/74/17/63/1023741763.db2.gz ZJMJVBAZFPSVOY-BEFAXECRSA-N 2 2 379.460 3.547 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000841046077 1028068617 /nfs/dbraw/zinc/06/86/17/1028068617.db2.gz VSMWIONYLVEYJR-IOMROCGXSA-N 2 2 382.508 3.662 20 10 GHCDLP COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2OC)C2CC[NH2+]CC2)cc1 ZINC001236445951 1041716169 /nfs/dbraw/zinc/71/61/69/1041716169.db2.gz GQOZEAOCJPIUMP-UHFFFAOYSA-N 2 2 383.536 3.524 20 10 GHCDLP COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2OC)C2CC[NH2+]CC2)cc1 ZINC001236445951 1041716177 /nfs/dbraw/zinc/71/61/77/1041716177.db2.gz GQOZEAOCJPIUMP-UHFFFAOYSA-N 2 2 383.536 3.524 20 10 GHCDLP Clc1ccccc1C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC001236449922 1041717902 /nfs/dbraw/zinc/71/79/02/1041717902.db2.gz PVZIUVMEXYVWJW-UHFFFAOYSA-N 2 2 399.966 3.931 20 10 GHCDLP Clc1ccccc1C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC001236449922 1041717903 /nfs/dbraw/zinc/71/79/03/1041717903.db2.gz PVZIUVMEXYVWJW-UHFFFAOYSA-N 2 2 399.966 3.931 20 10 GHCDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236794148 1041897782 /nfs/dbraw/zinc/89/77/82/1041897782.db2.gz SNWUSWPIZAZYJA-UZLBHIALSA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236794148 1041897788 /nfs/dbraw/zinc/89/77/88/1041897788.db2.gz SNWUSWPIZAZYJA-UZLBHIALSA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236794148 1041897795 /nfs/dbraw/zinc/89/77/95/1041897795.db2.gz SNWUSWPIZAZYJA-UZLBHIALSA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236794148 1041897801 /nfs/dbraw/zinc/89/78/01/1041897801.db2.gz SNWUSWPIZAZYJA-UZLBHIALSA-N 2 2 399.362 3.879 20 10 GHCDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001258903551 1044858237 /nfs/dbraw/zinc/85/82/37/1044858237.db2.gz UABAIZCCGQPISG-JJEOQYAHSA-N 3 2 385.552 3.939 20 10 GHCDLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cc(OC)c(OC)cc1O ZINC001474761937 1056379675 /nfs/dbraw/zinc/37/96/75/1056379675.db2.gz GVKFERRGTXECLY-UHFFFAOYSA-N 2 2 398.507 3.713 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3coc(-c4ccccc4)n3)cc2F)CC1 ZINC001200151199 1065381763 /nfs/dbraw/zinc/38/17/63/1065381763.db2.gz FFPXZADNKSKXDO-UHFFFAOYSA-N 2 2 394.494 3.912 20 10 GHCDLP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000796662743 849350627 /nfs/dbraw/zinc/35/06/27/849350627.db2.gz HNMAJXITHXJTJG-MSOLQXFVSA-N 2 2 377.529 3.622 20 10 GHCDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858463529 883117445 /nfs/dbraw/zinc/11/74/45/883117445.db2.gz RSXSRUBASRJRQJ-FXAWDEMLSA-N 2 2 375.532 3.720 20 10 GHCDLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858463529 883117450 /nfs/dbraw/zinc/11/74/50/883117450.db2.gz RSXSRUBASRJRQJ-FXAWDEMLSA-N 2 2 375.532 3.720 20 10 GHCDLP COc1ccc2c(c1)C[C@H]([NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O)C2 ZINC001168245133 886620980 /nfs/dbraw/zinc/62/09/80/886620980.db2.gz UZLOXROYSFWMNW-UOKFIYJESA-N 2 2 390.483 3.605 20 10 GHCDLP C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000816548443 894916396 /nfs/dbraw/zinc/91/63/96/894916396.db2.gz HWQYIMFCPXVFDV-CYBMUJFWSA-N 2 2 395.881 3.926 20 10 GHCDLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Br)c(F)cc1O ZINC000817939528 895968137 /nfs/dbraw/zinc/96/81/37/895968137.db2.gz DPJKBVDUDRXKLP-GFCCVEGCSA-N 2 2 382.277 3.519 20 10 GHCDLP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Br)ccc1O ZINC000775503949 918459056 /nfs/dbraw/zinc/45/90/56/918459056.db2.gz QUUYGQLRMPLZBX-AEFFLSMTSA-N 2 2 397.357 3.839 20 10 GHCDLP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Br)ccc1O ZINC000775504052 918459912 /nfs/dbraw/zinc/45/99/12/918459912.db2.gz QUUYGQLRMPLZBX-WMZOPIPTSA-N 2 2 397.357 3.839 20 10 GHCDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000827662250 925915064 /nfs/dbraw/zinc/91/50/64/925915064.db2.gz PHBLISBPJJVFBK-REWPJTCUSA-N 2 2 393.575 3.648 20 10 GHCDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000827662250 925915075 /nfs/dbraw/zinc/91/50/75/925915075.db2.gz PHBLISBPJJVFBK-REWPJTCUSA-N 2 2 393.575 3.648 20 10 GHCDLP Cc1csc(C2([NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)CCCC2)n1 ZINC001116049235 933306084 /nfs/dbraw/zinc/30/60/84/933306084.db2.gz MIMJUYACAACUJR-UHFFFAOYSA-N 2 2 388.556 3.902 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)cc2F)CC1 ZINC001117789812 934024631 /nfs/dbraw/zinc/02/46/31/934024631.db2.gz ODNLXCSQLQLKRE-QGZVFWFLSA-N 2 2 393.428 3.772 20 10 GHCDLP Oc1c(C[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236270095 1032593761 /nfs/dbraw/zinc/59/37/61/1032593761.db2.gz LHNXYEPKBCQDIH-JOCHJYFZSA-N 2 2 391.559 3.845 20 10 GHCDLP Oc1c(C[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236270095 1032593766 /nfs/dbraw/zinc/59/37/66/1032593766.db2.gz LHNXYEPKBCQDIH-JOCHJYFZSA-N 2 2 391.559 3.845 20 10 GHCDLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001204327797 1032770293 /nfs/dbraw/zinc/77/02/93/1032770293.db2.gz ISOCOCLMKPAALZ-OAQYLSRUSA-N 2 2 399.579 3.526 20 10 GHCDLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001204327797 1032770309 /nfs/dbraw/zinc/77/03/09/1032770309.db2.gz ISOCOCLMKPAALZ-OAQYLSRUSA-N 2 2 399.579 3.526 20 10 GHCDLP c1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(N5CCCCC5)cc4)C[C@H]3C2)c1 ZINC001138216793 1024384592 /nfs/dbraw/zinc/38/45/92/1024384592.db2.gz LDNZJQNHACRAHI-ZRZAMGCNSA-N 2 2 376.548 3.636 20 10 GHCDLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(N5CCCCC5)cc4)C[C@H]3C2)c1 ZINC001138216793 1024384611 /nfs/dbraw/zinc/38/46/11/1024384611.db2.gz LDNZJQNHACRAHI-ZRZAMGCNSA-N 2 2 376.548 3.636 20 10 GHCDLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(N5CCCCC5)cc4)C[C@H]3C2)c1 ZINC001138216793 1024384630 /nfs/dbraw/zinc/38/46/30/1024384630.db2.gz LDNZJQNHACRAHI-ZRZAMGCNSA-N 2 2 376.548 3.636 20 10 GHCDLP c1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(N5CCCCC5)cc4)C[C@H]3C2)c1 ZINC001138216793 1024384650 /nfs/dbraw/zinc/38/46/50/1024384650.db2.gz LDNZJQNHACRAHI-ZRZAMGCNSA-N 2 2 376.548 3.636 20 10 GHCDLP CCOc1ccc(N2CC[NH+](Cc3ccccc3-n3cc[nH+]c3C)CC2)cc1 ZINC001140027235 1026815751 /nfs/dbraw/zinc/81/57/51/1026815751.db2.gz DDXSFLOWZQCUAH-UHFFFAOYSA-N 2 2 376.504 3.902 20 10 GHCDLP CN(C)c1ccc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)cc1 ZINC001203937687 1027731208 /nfs/dbraw/zinc/73/12/08/1027731208.db2.gz LUFANQVFDXLKOF-UHFFFAOYSA-N 2 2 385.309 3.762 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(Br)c3cccnc23)cc1 ZINC000841045818 1028066576 /nfs/dbraw/zinc/06/65/76/1028066576.db2.gz QUHZKUIXTUYCOC-IBGZPJMESA-N 2 2 399.336 3.853 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)cc2F)CC1 ZINC001253981980 1039934002 /nfs/dbraw/zinc/93/40/02/1039934002.db2.gz WBAVLDAFWJXQTC-UHFFFAOYSA-N 2 2 395.522 3.672 20 10 GHCDLP Oc1cc(Cl)c(F)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001237938517 1042429369 /nfs/dbraw/zinc/42/93/69/1042429369.db2.gz JJSDVQLHWGLXQR-UHFFFAOYSA-N 2 2 394.874 3.645 20 10 GHCDLP Oc1cc(Cl)c(F)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001237938517 1042429371 /nfs/dbraw/zinc/42/93/71/1042429371.db2.gz JJSDVQLHWGLXQR-UHFFFAOYSA-N 2 2 394.874 3.645 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(OC4CC4)c3F)cc2F)CC1 ZINC001330301327 1050996296 /nfs/dbraw/zinc/99/62/96/1050996296.db2.gz LDBSBAKBDKZTLC-UHFFFAOYSA-N 2 2 387.474 3.548 20 10 GHCDLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc4ccccc4c3O)c2)CC1 ZINC001330431075 1051009115 /nfs/dbraw/zinc/00/91/15/1051009115.db2.gz IKUVJGYFKPPLBD-UHFFFAOYSA-N 2 2 375.516 3.583 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccco3)cc2F)CC1 ZINC001334031938 1051889101 /nfs/dbraw/zinc/88/91/01/1051889101.db2.gz OIXNHNJOXALACZ-QFIPXVFZSA-N 2 2 399.510 3.524 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccco3)cc2F)CC1 ZINC001334031938 1051889109 /nfs/dbraw/zinc/88/91/09/1051889109.db2.gz OIXNHNJOXALACZ-QFIPXVFZSA-N 2 2 399.510 3.524 20 10 GHCDLP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001320244286 1055721269 /nfs/dbraw/zinc/72/12/69/1055721269.db2.gz CWIXYXCXSYHGOB-NQIIRXRSSA-N 2 2 396.531 3.750 20 10 GHCDLP OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC001474239288 1074304987 /nfs/dbraw/zinc/30/49/87/1074304987.db2.gz RGSVVSVCJWFERY-DEOSSOPVSA-N 2 2 393.575 3.792 20 10 GHCDLP OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC001474239288 1074304990 /nfs/dbraw/zinc/30/49/90/1074304990.db2.gz RGSVVSVCJWFERY-DEOSSOPVSA-N 2 2 393.575 3.792 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742392535 867258206 /nfs/dbraw/zinc/25/82/06/867258206.db2.gz QGMGJPXDRHBLFX-KRWDZBQOSA-N 2 2 380.467 3.699 20 10 GHCDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142520283 884475768 /nfs/dbraw/zinc/47/57/68/884475768.db2.gz FHFNMNULRZBDAX-UQASEVPWSA-N 2 2 387.474 3.798 20 10 GHCDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142520283 884475779 /nfs/dbraw/zinc/47/57/79/884475779.db2.gz FHFNMNULRZBDAX-UQASEVPWSA-N 2 2 387.474 3.798 20 10 GHCDLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142520283 884475786 /nfs/dbraw/zinc/47/57/86/884475786.db2.gz FHFNMNULRZBDAX-UQASEVPWSA-N 2 2 387.474 3.798 20 10 GHCDLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142520283 884475792 /nfs/dbraw/zinc/47/57/92/884475792.db2.gz FHFNMNULRZBDAX-UQASEVPWSA-N 2 2 387.474 3.798 20 10 GHCDLP CC(=O)c1cc(F)cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1O ZINC000809563342 887542903 /nfs/dbraw/zinc/54/29/03/887542903.db2.gz OUBHMWSCVJMDSI-UHFFFAOYSA-N 2 2 379.435 3.604 20 10 GHCDLP COc1c(O)c(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775034960 914686275 /nfs/dbraw/zinc/68/62/75/914686275.db2.gz VLOHPJVICFSUIX-HOTGVXAUSA-N 2 2 399.491 3.555 20 10 GHCDLP CCOC(=O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)c1ccccc1 ZINC000777441590 908203727 /nfs/dbraw/zinc/20/37/27/908203727.db2.gz VNYFULSWPMSKEC-FQEVSTJZSA-N 2 2 395.547 3.565 20 10 GHCDLP CCOC(=O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)c1ccccc1 ZINC000777441590 908203735 /nfs/dbraw/zinc/20/37/35/908203735.db2.gz VNYFULSWPMSKEC-FQEVSTJZSA-N 2 2 395.547 3.565 20 10 GHCDLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000781456058 930853747 /nfs/dbraw/zinc/85/37/47/930853747.db2.gz RKGYPUGQZKFECF-UHFFFAOYSA-N 2 2 387.515 3.746 20 10 GHCDLP CN(C)c1ccc(/C=C\C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000835028798 1021784752 /nfs/dbraw/zinc/78/47/52/1021784752.db2.gz SHZYPRNSXVZQSK-SREVYHEPSA-N 2 2 378.564 3.800 20 10 GHCDLP CN(C)c1ccc(/C=C\C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000835028798 1021784767 /nfs/dbraw/zinc/78/47/67/1021784767.db2.gz SHZYPRNSXVZQSK-SREVYHEPSA-N 2 2 378.564 3.800 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000756402030 1023629998 /nfs/dbraw/zinc/62/99/98/1023629998.db2.gz KSGYZDKWZANLMW-QGZVFWFLSA-N 2 2 382.504 3.537 20 10 GHCDLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c(O)c1C ZINC000756481312 1023678131 /nfs/dbraw/zinc/67/81/31/1023678131.db2.gz WTOVLHLNABPAHG-LJQANCHMSA-N 2 2 384.520 3.571 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000756504679 1023688630 /nfs/dbraw/zinc/68/86/30/1023688630.db2.gz PQGJNJGRPFMHPY-IEBWSBKVSA-N 2 2 382.504 3.742 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000756504679 1023688636 /nfs/dbraw/zinc/68/86/36/1023688636.db2.gz PQGJNJGRPFMHPY-IEBWSBKVSA-N 2 2 382.504 3.742 20 10 GHCDLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@H](C)O1 ZINC001461013656 1069336582 /nfs/dbraw/zinc/33/65/82/1069336582.db2.gz KYZYBTCVSSALDO-SFTDATJTSA-N 2 2 393.575 3.838 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[N@H+](Cc4ccccc4)C(C)(C)C3)cc2)CC1 ZINC001203491405 1027378531 /nfs/dbraw/zinc/37/85/31/1027378531.db2.gz KEIWAGGVBXZYSD-QHCPKHFHSA-N 3 2 392.591 3.581 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C(C)(C)C3)cc2)CC1 ZINC001203491405 1027378542 /nfs/dbraw/zinc/37/85/42/1027378542.db2.gz KEIWAGGVBXZYSD-QHCPKHFHSA-N 3 2 392.591 3.581 20 10 GHCDLP CCOC(=O)c1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c2ccccc2n1C ZINC001233273684 1039041706 /nfs/dbraw/zinc/04/17/06/1039041706.db2.gz NETNOFORBAUGEQ-QGZVFWFLSA-N 2 2 393.487 3.712 20 10 GHCDLP CCOC(=O)c1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c2ccccc2n1C ZINC001233273684 1039041721 /nfs/dbraw/zinc/04/17/21/1039041721.db2.gz NETNOFORBAUGEQ-QGZVFWFLSA-N 2 2 393.487 3.712 20 10 GHCDLP Oc1c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736574 1039578300 /nfs/dbraw/zinc/57/83/00/1039578300.db2.gz NGQVZWYGCYICEX-GJZGRUSLSA-N 2 2 398.450 3.916 20 10 GHCDLP COc1ccc(C[N@H+](Cc2ccc(Cl)cc2O)C2CC[NH2+]CC2)cc1F ZINC001236515721 1041748781 /nfs/dbraw/zinc/74/87/81/1041748781.db2.gz MRCRGZILIRBONK-UHFFFAOYSA-N 2 2 378.875 3.948 20 10 GHCDLP COc1ccc(C[N@@H+](Cc2ccc(Cl)cc2O)C2CC[NH2+]CC2)cc1F ZINC001236515721 1041748786 /nfs/dbraw/zinc/74/87/86/1041748786.db2.gz MRCRGZILIRBONK-UHFFFAOYSA-N 2 2 378.875 3.948 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c(Cl)c1 ZINC001236795697 1041900432 /nfs/dbraw/zinc/90/04/32/1041900432.db2.gz NOWLYFQTFLINRA-KBPBESRZSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(Br)c1 ZINC001237068091 1042019773 /nfs/dbraw/zinc/01/97/73/1042019773.db2.gz MVNVRZYXJLPLJY-ZDUSSCGKSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1cc(O)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(Br)c1 ZINC001237068091 1042019779 /nfs/dbraw/zinc/01/97/79/1042019779.db2.gz MVNVRZYXJLPLJY-ZDUSSCGKSA-N 2 2 393.281 3.520 20 10 GHCDLP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C2(CC2)C1 ZINC001237094009 1042032998 /nfs/dbraw/zinc/03/29/98/1042032998.db2.gz RQBMLHBVWATFQL-OAHLLOKOSA-N 2 2 378.358 3.575 20 10 GHCDLP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C2(CC2)C1 ZINC001237094009 1042033005 /nfs/dbraw/zinc/03/30/05/1042033005.db2.gz RQBMLHBVWATFQL-OAHLLOKOSA-N 2 2 378.358 3.575 20 10 GHCDLP FC(F)(F)Oc1ccc(N2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)cc1 ZINC001238116378 1042496272 /nfs/dbraw/zinc/49/62/72/1042496272.db2.gz RMKKNKDPSYUQGM-UHFFFAOYSA-N 2 2 376.382 3.555 20 10 GHCDLP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001320244285 1055721081 /nfs/dbraw/zinc/72/10/81/1055721081.db2.gz CWIXYXCXSYHGOB-GHTZIAJQSA-N 2 2 396.531 3.750 20 10 GHCDLP COc1cc(C)cc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1O ZINC000894276241 847837000 /nfs/dbraw/zinc/83/70/00/847837000.db2.gz HVNZAOIHYRJDBY-GOSISDBHSA-N 2 2 384.520 3.699 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2c1c(F)ccc2O ZINC000760020257 851991180 /nfs/dbraw/zinc/99/11/80/851991180.db2.gz UQRDALOKFFOEIN-KPFFTGBYSA-N 2 2 384.495 3.960 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2c1c(F)ccc2O ZINC000760020257 851991186 /nfs/dbraw/zinc/99/11/86/851991186.db2.gz UQRDALOKFFOEIN-KPFFTGBYSA-N 2 2 384.495 3.960 20 10 GHCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCCCC2)cc1 ZINC000764882570 859658662 /nfs/dbraw/zinc/65/86/62/859658662.db2.gz MYKUNAAFFHPTSR-CJFMBICVSA-N 2 2 393.575 3.747 20 10 GHCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(N2CCCCC2)cc1 ZINC000764882570 859658666 /nfs/dbraw/zinc/65/86/66/859658666.db2.gz MYKUNAAFFHPTSR-CJFMBICVSA-N 2 2 393.575 3.747 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccc4cnccc43)CC2)cc1 ZINC000181502784 871110896 /nfs/dbraw/zinc/11/08/96/871110896.db2.gz FDGGEZOZBUWNRB-UHFFFAOYSA-N 2 2 390.531 3.545 20 10 GHCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775644975 872258043 /nfs/dbraw/zinc/25/80/43/872258043.db2.gz UWWCKVQWAKRFOE-UHFFFAOYSA-N 2 2 388.899 3.632 20 10 GHCDLP COc1ccc(N2CCC([NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)CC2)cc1 ZINC000854223847 879641510 /nfs/dbraw/zinc/64/15/10/879641510.db2.gz IFETXMQNXPCFAR-DHIUTWEWSA-N 2 2 383.511 3.538 20 10 GHCDLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000812746651 890927920 /nfs/dbraw/zinc/92/79/20/890927920.db2.gz GKVVDYQBAGEYBP-UHFFFAOYSA-N 2 2 397.563 3.644 20 10 GHCDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000825716263 892046511 /nfs/dbraw/zinc/04/65/11/892046511.db2.gz RDABMKJJXXMMLB-UHFFFAOYSA-N 2 2 377.282 3.902 20 10 GHCDLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939050 895968188 /nfs/dbraw/zinc/96/81/88/895968188.db2.gz YDHUCDNLOVADGV-HTAPYJJXSA-N 2 2 397.567 3.977 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3nc(C)sc3C)cc2F)CC1 ZINC000772879578 899488104 /nfs/dbraw/zinc/48/81/04/899488104.db2.gz JNAPBUKSBNVTSG-AWEZNQCLSA-N 2 2 376.545 3.892 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000781913026 931026673 /nfs/dbraw/zinc/02/66/73/931026673.db2.gz YEHDSZVPOOKJLX-KSSFIOAISA-N 2 2 379.342 3.912 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000781913026 931026686 /nfs/dbraw/zinc/02/66/86/931026686.db2.gz YEHDSZVPOOKJLX-KSSFIOAISA-N 2 2 379.342 3.912 20 10 GHCDLP Cc1cc(Br)c(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000781913026 931026693 /nfs/dbraw/zinc/02/66/93/931026693.db2.gz YEHDSZVPOOKJLX-KSSFIOAISA-N 2 2 379.342 3.912 20 10 GHCDLP Cc1cc(N2CC[NH+](Cc3ccc(N(C)C)c4ccccc34)CC2)nc(C)[nH+]1 ZINC001204240762 1032684968 /nfs/dbraw/zinc/68/49/68/1032684968.db2.gz CSJHKCKRUUHVRS-UHFFFAOYSA-N 2 2 375.520 3.635 20 10 GHCDLP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000756463781 1023666015 /nfs/dbraw/zinc/66/60/15/1023666015.db2.gz DCEVIRSCCRXNHH-QGZVFWFLSA-N 2 2 389.490 3.923 20 10 GHCDLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc(F)cc(F)c1O ZINC000756846627 1023833099 /nfs/dbraw/zinc/83/30/99/1023833099.db2.gz WEIVAQXHFYQNPS-ZDUSSCGKSA-N 2 2 376.451 3.769 20 10 GHCDLP c1cncc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(N5CCCCC5)cc4)C[C@@H]3C2)c1 ZINC001138216791 1024386275 /nfs/dbraw/zinc/38/62/75/1024386275.db2.gz LDNZJQNHACRAHI-DHIUTWEWSA-N 2 2 376.548 3.636 20 10 GHCDLP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001205592725 1033484271 /nfs/dbraw/zinc/48/42/71/1033484271.db2.gz XOZOCEMTKRESOQ-CQSZACIVSA-N 2 2 399.226 3.826 20 10 GHCDLP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001205592725 1033484276 /nfs/dbraw/zinc/48/42/76/1033484276.db2.gz XOZOCEMTKRESOQ-CQSZACIVSA-N 2 2 399.226 3.826 20 10 GHCDLP COc1cc(O)c(C[N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)cc1OC ZINC001236452816 1041718866 /nfs/dbraw/zinc/71/88/66/1041718866.db2.gz NLRXZBUIFXUHHS-UHFFFAOYSA-N 2 2 390.911 3.817 20 10 GHCDLP COc1cc(O)c(C[N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)cc1OC ZINC001236452816 1041718870 /nfs/dbraw/zinc/71/88/70/1041718870.db2.gz NLRXZBUIFXUHHS-UHFFFAOYSA-N 2 2 390.911 3.817 20 10 GHCDLP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(F)cc(F)c3O)CC2)cs1 ZINC001308266456 1049931232 /nfs/dbraw/zinc/93/12/32/1049931232.db2.gz CDXQIRIXJRAXKV-UHFFFAOYSA-N 2 2 381.492 3.691 20 10 GHCDLP Cc1[nH+]cn(-c2ccc(NCc3ccc(N4CC[NH+](C)CC4)c(F)c3)cc2)c1C ZINC001330080932 1050953758 /nfs/dbraw/zinc/95/37/58/1050953758.db2.gz HLXWUNRUDMLYNC-UHFFFAOYSA-N 2 2 393.510 3.992 20 10 GHCDLP Cc1cc(Br)cc(C[NH2+][C@H](CC[NH+](C)C)c2cccnc2)c1O ZINC000896722598 861508285 /nfs/dbraw/zinc/50/82/85/861508285.db2.gz ZGEAXHKLRHBIOB-QGZVFWFLSA-N 2 2 378.314 3.641 20 10 GHCDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163632057 862504500 /nfs/dbraw/zinc/50/45/00/862504500.db2.gz UWRDRKGRTJVZNY-CVDCTZTESA-N 2 2 396.604 3.635 20 10 GHCDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163632057 862504511 /nfs/dbraw/zinc/50/45/11/862504511.db2.gz UWRDRKGRTJVZNY-CVDCTZTESA-N 2 2 396.604 3.635 20 10 GHCDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCCCC2)cc1 ZINC000764882572 859659015 /nfs/dbraw/zinc/65/90/15/859659015.db2.gz MYKUNAAFFHPTSR-NBGIEHNGSA-N 2 2 393.575 3.747 20 10 GHCDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(N2CCCCC2)cc1 ZINC000764882572 859659018 /nfs/dbraw/zinc/65/90/18/859659018.db2.gz MYKUNAAFFHPTSR-NBGIEHNGSA-N 2 2 393.575 3.747 20 10 GHCDLP COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000766008155 860819152 /nfs/dbraw/zinc/81/91/52/860819152.db2.gz DUEOFKFIWIJCIF-QHCPKHFHSA-N 2 2 379.548 3.918 20 10 GHCDLP COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000766008155 860819156 /nfs/dbraw/zinc/81/91/56/860819156.db2.gz DUEOFKFIWIJCIF-QHCPKHFHSA-N 2 2 379.548 3.918 20 10 GHCDLP Cn1c2ccccc2[nH+]c1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768527157 873360207 /nfs/dbraw/zinc/36/02/07/873360207.db2.gz CIAZGVNGHBDUAL-UHFFFAOYSA-N 2 2 375.520 3.717 20 10 GHCDLP COc1ccsc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000769958024 874365090 /nfs/dbraw/zinc/36/50/90/874365090.db2.gz BRCGXUNJTLUJDL-KRWDZBQOSA-N 2 2 389.565 3.628 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCc4ccccc4C3)CC2)cc1 ZINC001199038032 874770082 /nfs/dbraw/zinc/77/00/82/874770082.db2.gz IVVRMVAMLWRVFM-QHCPKHFHSA-N 2 2 393.575 3.745 20 10 GHCDLP COc1ccc(N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)cc1 ZINC000792208687 880987131 /nfs/dbraw/zinc/98/71/31/880987131.db2.gz OZOVRTLCCXLKAT-UHFFFAOYSA-N 2 2 376.504 3.902 20 10 GHCDLP COc1ccc(N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)cc1 ZINC000792208687 880987137 /nfs/dbraw/zinc/98/71/37/880987137.db2.gz OZOVRTLCCXLKAT-UHFFFAOYSA-N 2 2 376.504 3.902 20 10 GHCDLP Cc1cc(Br)cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1O ZINC000779004468 902729257 /nfs/dbraw/zinc/72/92/57/902729257.db2.gz XFDWTXPDMLJQFP-ZDUSSCGKSA-N 2 2 378.314 3.889 20 10 GHCDLP CCCOC1CCC([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001173090750 906150218 /nfs/dbraw/zinc/15/02/18/906150218.db2.gz IRSDRARFRSNDAH-UHFFFAOYSA-N 2 2 389.584 3.535 20 10 GHCDLP [NH3+][C@H](c1ccccc1O)[C@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)c1ccccc1O ZINC001173476774 906475618 /nfs/dbraw/zinc/47/56/18/906475618.db2.gz VALBGPNGSAMGAH-DHIUTWEWSA-N 2 2 396.437 3.874 20 10 GHCDLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C[C@@H]2C1 ZINC001175203929 907411959 /nfs/dbraw/zinc/41/19/59/907411959.db2.gz XXSUANGNYSPWSU-MSOLQXFVSA-N 2 2 377.492 3.924 20 10 GHCDLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C[C@@H]2C1 ZINC001175203929 907411969 /nfs/dbraw/zinc/41/19/69/907411969.db2.gz XXSUANGNYSPWSU-MSOLQXFVSA-N 2 2 377.492 3.924 20 10 GHCDLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C[C@@H]2C1 ZINC001175203929 907411978 /nfs/dbraw/zinc/41/19/78/907411978.db2.gz XXSUANGNYSPWSU-MSOLQXFVSA-N 2 2 377.492 3.924 20 10 GHCDLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C[C@@H]2C1 ZINC001175203929 907411992 /nfs/dbraw/zinc/41/19/92/907411992.db2.gz XXSUANGNYSPWSU-MSOLQXFVSA-N 2 2 377.492 3.924 20 10 GHCDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000925793169 931905431 /nfs/dbraw/zinc/90/54/31/931905431.db2.gz HVKGRVXIWXBPBV-MJGOQNOKSA-N 2 2 375.532 3.625 20 10 GHCDLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4c(O)cccc4F)CC3)C2)cc1 ZINC001137835350 935814689 /nfs/dbraw/zinc/81/46/89/935814689.db2.gz FAVGEBPVNUMCBM-UHFFFAOYSA-N 2 2 384.495 3.707 20 10 GHCDLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4c(O)cccc4F)CC3)C2)cc1 ZINC001137835350 935814692 /nfs/dbraw/zinc/81/46/92/935814692.db2.gz FAVGEBPVNUMCBM-UHFFFAOYSA-N 2 2 384.495 3.707 20 10 GHCDLP CN(C)c1ccc(/C=C\CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000835043179 1021802979 /nfs/dbraw/zinc/80/29/79/1021802979.db2.gz NPBKNNZUEGWJNY-WAYWQWQTSA-N 2 2 379.552 3.803 20 10 GHCDLP C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC001140660131 1022194781 /nfs/dbraw/zinc/19/47/81/1022194781.db2.gz GZXWCAZWWQEHEE-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC001140660131 1022194800 /nfs/dbraw/zinc/19/48/00/1022194800.db2.gz GZXWCAZWWQEHEE-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1CC[NH+](C2CCCCC2)CC1 ZINC001140667291 1022217993 /nfs/dbraw/zinc/21/79/93/1022217993.db2.gz NTXBBXZRGCDAHD-UHFFFAOYSA-N 2 2 389.559 3.891 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C1CC[NH+](C2CCCCC2)CC1 ZINC001140667291 1022218006 /nfs/dbraw/zinc/21/80/06/1022218006.db2.gz NTXBBXZRGCDAHD-UHFFFAOYSA-N 2 2 389.559 3.891 20 10 GHCDLP COc1cc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)[nH+]c2cc1OC ZINC001156657272 1033160948 /nfs/dbraw/zinc/16/09/48/1033160948.db2.gz KWJRVRNWPVFHEN-UHFFFAOYSA-N 2 2 392.503 3.616 20 10 GHCDLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc(F)cc(F)c1O ZINC000756846626 1023832511 /nfs/dbraw/zinc/83/25/11/1023832511.db2.gz WEIVAQXHFYQNPS-CYBMUJFWSA-N 2 2 376.451 3.769 20 10 GHCDLP COc1cc(C[N@H+](C)Cc2ccccc2Br)cc(C[NH+](C)C)c1O ZINC001139252880 1026102639 /nfs/dbraw/zinc/10/26/39/1026102639.db2.gz DCIMKCDAZVHTIK-UHFFFAOYSA-N 2 2 393.325 3.857 20 10 GHCDLP COc1cc(C[N@@H+](C)Cc2ccccc2Br)cc(C[NH+](C)C)c1O ZINC001139252880 1026102651 /nfs/dbraw/zinc/10/26/51/1026102651.db2.gz DCIMKCDAZVHTIK-UHFFFAOYSA-N 2 2 393.325 3.857 20 10 GHCDLP COc1ccc(N2CC[NH+](CCCNc3cc(C)c4[nH]ccc4[nH+]3)CC2)cc1 ZINC001164335360 1026489633 /nfs/dbraw/zinc/48/96/33/1026489633.db2.gz BBVQXVUYPJYKFY-UHFFFAOYSA-N 2 2 379.508 3.504 20 10 GHCDLP Oc1cccc(Br)c1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001140100481 1026880066 /nfs/dbraw/zinc/88/00/66/1026880066.db2.gz QSNCSIPJKNZFIQ-KBPBESRZSA-N 2 2 393.350 3.780 20 10 GHCDLP Nc1cc[nH+]cc1C[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001209732637 1027127573 /nfs/dbraw/zinc/12/75/73/1027127573.db2.gz ARXFUOKIYKVZAN-UHFFFAOYSA-N 2 2 385.471 3.625 20 10 GHCDLP COc1cc(N(C)C)ccc1C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001231857723 1034947114 /nfs/dbraw/zinc/94/71/14/1034947114.db2.gz NZEWEDNTEJYETG-UHFFFAOYSA-N 2 2 385.527 3.997 20 10 GHCDLP COc1cc(N(C)C)ccc1C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001231857723 1034947118 /nfs/dbraw/zinc/94/71/18/1034947118.db2.gz NZEWEDNTEJYETG-UHFFFAOYSA-N 2 2 385.527 3.997 20 10 GHCDLP COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001234535637 1040108399 /nfs/dbraw/zinc/10/83/99/1040108399.db2.gz CRJRCCLAFAQFTP-KDURUIRLSA-N 2 2 389.499 3.513 20 10 GHCDLP COc1ccc2ccc(O)c(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001234535637 1040108408 /nfs/dbraw/zinc/10/84/08/1040108408.db2.gz CRJRCCLAFAQFTP-KDURUIRLSA-N 2 2 389.499 3.513 20 10 GHCDLP COc1ccc2ccc(O)c(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001234535637 1040108416 /nfs/dbraw/zinc/10/84/16/1040108416.db2.gz CRJRCCLAFAQFTP-KDURUIRLSA-N 2 2 389.499 3.513 20 10 GHCDLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)CC1 ZINC001237051635 1042010144 /nfs/dbraw/zinc/01/01/44/1042010144.db2.gz NRXQXTPGORIDJT-UHFFFAOYSA-N 2 2 388.552 3.755 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC001256538154 1043483154 /nfs/dbraw/zinc/48/31/54/1043483154.db2.gz RGOVXXSGNBKMBY-REWPJTCUSA-N 2 2 379.548 3.870 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC001256538154 1043483166 /nfs/dbraw/zinc/48/31/66/1043483166.db2.gz RGOVXXSGNBKMBY-REWPJTCUSA-N 2 2 379.548 3.870 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](c2ccccc2)O1 ZINC001319701370 1055408575 /nfs/dbraw/zinc/40/85/75/1055408575.db2.gz VGLYUBSLBZFELA-WZONZLPQSA-N 2 2 383.511 3.540 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](c2ccccc2)O1 ZINC001319701370 1055408582 /nfs/dbraw/zinc/40/85/82/1055408582.db2.gz VGLYUBSLBZFELA-WZONZLPQSA-N 2 2 383.511 3.540 20 10 GHCDLP CCOc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)cc1 ZINC001459794125 1064220677 /nfs/dbraw/zinc/22/06/77/1064220677.db2.gz BRZFOZGEMBRTPY-UHFFFAOYSA-N 2 2 376.504 3.902 20 10 GHCDLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001473938215 1074211230 /nfs/dbraw/zinc/21/12/30/1074211230.db2.gz BCXCOYKANNTYEW-UHFFFAOYSA-N 3 2 392.591 3.501 20 10 GHCDLP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155125447 836437458 /nfs/dbraw/zinc/43/74/58/836437458.db2.gz BUTBBCZDDZUEEV-SFHVURJKSA-N 2 2 398.389 3.613 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCOc4ccccc43)CC2)cc1 ZINC000764683565 859567322 /nfs/dbraw/zinc/56/73/22/859567322.db2.gz LFLRTUKTDGEEHG-HSZRJFAPSA-N 2 2 395.547 3.711 20 10 GHCDLP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000764683049 859567440 /nfs/dbraw/zinc/56/74/40/859567440.db2.gz KRRAQMGWPJRODA-LJQANCHMSA-N 2 2 383.536 3.567 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)CCc3ccc(O)cc3)CC2)cc1 ZINC000768516560 873377181 /nfs/dbraw/zinc/37/71/81/873377181.db2.gz ZNGXQWJTKDPLGT-FQEVSTJZSA-N 2 2 397.563 3.524 20 10 GHCDLP CCn1nc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c2ccccc21 ZINC000769909719 874335322 /nfs/dbraw/zinc/33/53/22/874335322.db2.gz DQEJNDQOFYMHOE-UHFFFAOYSA-N 2 2 395.526 3.627 20 10 GHCDLP Oc1c(Cl)cccc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000776024568 875194688 /nfs/dbraw/zinc/19/46/88/875194688.db2.gz OUBHQWUPOPPFBE-UHFFFAOYSA-N 2 2 387.955 3.733 20 10 GHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1O ZINC000808697667 886717405 /nfs/dbraw/zinc/71/74/05/886717405.db2.gz QPYTZSAUMSYPKF-YRISNDGFSA-N 2 2 388.939 3.888 20 10 GHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1O ZINC000808697667 886717409 /nfs/dbraw/zinc/71/74/09/886717409.db2.gz QPYTZSAUMSYPKF-YRISNDGFSA-N 2 2 388.939 3.888 20 10 GHCDLP OC1CCN(c2ccc(C[NH2+]C3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)CC1 ZINC000876946820 893399713 /nfs/dbraw/zinc/39/97/13/893399713.db2.gz VUYSYRFAMSDJCA-UHFFFAOYSA-N 2 2 397.538 3.541 20 10 GHCDLP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Br)ccc1O ZINC000817939540 895968762 /nfs/dbraw/zinc/96/87/62/895968762.db2.gz DXRQPIORERTRFF-KRWDZBQOSA-N 2 2 378.314 3.770 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000817940026 895971060 /nfs/dbraw/zinc/97/10/60/895971060.db2.gz DUVFUIWWFNBYSG-YADHBBJMSA-N 2 2 375.520 3.605 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(OC)c1 ZINC001138387676 1024761181 /nfs/dbraw/zinc/76/11/81/1024761181.db2.gz LXRJQBOSCGJPTK-SFTDATJTSA-N 2 2 394.563 3.500 20 10 GHCDLP CCc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc(CC)[nH+]1 ZINC001162832997 1025933647 /nfs/dbraw/zinc/93/36/47/1025933647.db2.gz MDXXJHBVOOLGRK-UHFFFAOYSA-N 2 2 379.552 3.746 20 10 GHCDLP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001163486118 1026210558 /nfs/dbraw/zinc/21/05/58/1026210558.db2.gz DNURDDUYAJDCOA-QFIPXVFZSA-N 2 2 380.536 3.891 20 10 GHCDLP Oc1ccc(Br)cc1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001203640127 1027500204 /nfs/dbraw/zinc/50/02/04/1027500204.db2.gz SPAJPEVKNQSJND-UHFFFAOYSA-N 2 2 379.342 3.995 20 10 GHCDLP CCOc1c(Cl)cc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000841042833 1028063733 /nfs/dbraw/zinc/06/37/33/1028063733.db2.gz LLMKRHZCIUDABQ-SFHVURJKSA-N 2 2 377.916 3.603 20 10 GHCDLP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841045099 1028067042 /nfs/dbraw/zinc/06/70/42/1028067042.db2.gz HSIIYRMDJZKYRC-HTAPYJJXSA-N 2 2 382.552 3.883 20 10 GHCDLP Oc1c(Br)cccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000841072800 1028092137 /nfs/dbraw/zinc/09/21/37/1028092137.db2.gz HZPXZDQFYKEIQX-DOTOQJQBSA-N 2 2 393.300 3.777 20 10 GHCDLP C[C@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@H]1C[NH3+] ZINC001205655372 1033512967 /nfs/dbraw/zinc/51/29/67/1033512967.db2.gz ZRHGTJPGTLIXRL-QWRGUYRKSA-N 2 2 395.263 3.980 20 10 GHCDLP C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@H]1C[NH3+] ZINC001205655372 1033512972 /nfs/dbraw/zinc/51/29/72/1033512972.db2.gz ZRHGTJPGTLIXRL-QWRGUYRKSA-N 2 2 395.263 3.980 20 10 GHCDLP Oc1c(Cl)cccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001231910034 1034984818 /nfs/dbraw/zinc/98/48/18/1034984818.db2.gz KBFAMSFKYGVMTK-UHFFFAOYSA-N 2 2 392.952 3.974 20 10 GHCDLP Oc1c(Cl)cccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001231910034 1034984825 /nfs/dbraw/zinc/98/48/25/1034984825.db2.gz KBFAMSFKYGVMTK-UHFFFAOYSA-N 2 2 392.952 3.974 20 10 GHCDLP C[NH+]1CCC(C2CC[NH+](Cc3c(O)cc(Br)cc3F)CC2)CC1 ZINC001233031818 1038785220 /nfs/dbraw/zinc/78/52/20/1038785220.db2.gz NNTRCCVDOIVXCD-UHFFFAOYSA-N 2 2 385.321 3.848 20 10 GHCDLP CCOc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c(O)c1 ZINC001236503779 1041743436 /nfs/dbraw/zinc/74/34/36/1041743436.db2.gz CLIOLGDHUKZRRL-UHFFFAOYSA-N 2 2 376.447 3.823 20 10 GHCDLP CCOc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c(O)c1 ZINC001236503779 1041743441 /nfs/dbraw/zinc/74/34/41/1041743441.db2.gz CLIOLGDHUKZRRL-UHFFFAOYSA-N 2 2 376.447 3.823 20 10 GHCDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236790720 1041896601 /nfs/dbraw/zinc/89/66/01/1041896601.db2.gz SNWUSWPIZAZYJA-JXFKEZNVSA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236790720 1041896604 /nfs/dbraw/zinc/89/66/04/1041896604.db2.gz SNWUSWPIZAZYJA-JXFKEZNVSA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236790720 1041896607 /nfs/dbraw/zinc/89/66/07/1041896607.db2.gz SNWUSWPIZAZYJA-JXFKEZNVSA-N 2 2 399.362 3.879 20 10 GHCDLP Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237310842 1042139591 /nfs/dbraw/zinc/13/95/91/1042139591.db2.gz NEAYBQIJRRCSKG-UHFFFAOYSA-N 2 2 392.421 3.928 20 10 GHCDLP Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237310842 1042139598 /nfs/dbraw/zinc/13/95/98/1042139598.db2.gz NEAYBQIJRRCSKG-UHFFFAOYSA-N 2 2 392.421 3.928 20 10 GHCDLP Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1O ZINC001237679730 1042320950 /nfs/dbraw/zinc/32/09/50/1042320950.db2.gz LGOLLOUBKVPCTK-UHFFFAOYSA-N 2 2 390.911 3.814 20 10 GHCDLP Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1O ZINC001237679730 1042320959 /nfs/dbraw/zinc/32/09/59/1042320959.db2.gz LGOLLOUBKVPCTK-UHFFFAOYSA-N 2 2 390.911 3.814 20 10 GHCDLP CCOc1ccc(N2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001256610256 1043573831 /nfs/dbraw/zinc/57/38/31/1043573831.db2.gz AHXAHULSAFMXGL-UHFFFAOYSA-N 2 2 379.548 3.872 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cc(F)cc(F)c3O)cc2)C[C@H](C)O1 ZINC001308196167 1049908464 /nfs/dbraw/zinc/90/84/64/1049908464.db2.gz DBDGLAGWDSUAIL-GASCZTMLSA-N 2 2 376.447 3.569 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cc(F)cc(F)c3O)cc2)C[C@H](C)O1 ZINC001308196167 1049908467 /nfs/dbraw/zinc/90/84/67/1049908467.db2.gz DBDGLAGWDSUAIL-GASCZTMLSA-N 2 2 376.447 3.569 20 10 GHCDLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(N4CCCC4)cc3)C2)cc1 ZINC001321106692 1056096331 /nfs/dbraw/zinc/09/63/31/1056096331.db2.gz XSMFHRHMAVPHQZ-DEOSSOPVSA-N 2 2 379.548 3.668 20 10 GHCDLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(N4CCCC4)cc3)C2)cc1 ZINC001321106692 1056096343 /nfs/dbraw/zinc/09/63/43/1056096343.db2.gz XSMFHRHMAVPHQZ-DEOSSOPVSA-N 2 2 379.548 3.668 20 10 GHCDLP COc1cc(Br)cc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1O ZINC000848548667 1057171118 /nfs/dbraw/zinc/17/11/18/1057171118.db2.gz DVAMEPJCWOJHRT-LRVUVFPRSA-N 2 2 383.330 3.831 20 10 GHCDLP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000683443939 837319156 /nfs/dbraw/zinc/31/91/56/837319156.db2.gz MYKSWBDVUCBHQZ-UHFFFAOYSA-N 2 2 387.487 3.694 20 10 GHCDLP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000683443939 837319161 /nfs/dbraw/zinc/31/91/61/837319161.db2.gz MYKSWBDVUCBHQZ-UHFFFAOYSA-N 2 2 387.487 3.694 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163631921 853133530 /nfs/dbraw/zinc/13/35/30/853133530.db2.gz UWRDRKGRTJVZNY-XXBNENTESA-N 2 2 396.604 3.635 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163631921 853133534 /nfs/dbraw/zinc/13/35/34/853133534.db2.gz UWRDRKGRTJVZNY-XXBNENTESA-N 2 2 396.604 3.635 20 10 GHCDLP Oc1cccc(Br)c1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000858124672 882863875 /nfs/dbraw/zinc/86/38/75/882863875.db2.gz YLZRCRFJVCEQDR-KRWDZBQOSA-N 2 2 389.337 3.809 20 10 GHCDLP Oc1cccc(Br)c1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000858124672 882863893 /nfs/dbraw/zinc/86/38/93/882863893.db2.gz YLZRCRFJVCEQDR-KRWDZBQOSA-N 2 2 389.337 3.809 20 10 GHCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cn1 ZINC000181012290 883116661 /nfs/dbraw/zinc/11/66/61/883116661.db2.gz LGFXVDWLPFNNLJ-LBPRGKRZSA-N 2 2 387.281 3.895 20 10 GHCDLP C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)c(F)cc3O)[nH+]c2)CC1 ZINC000816557485 894941542 /nfs/dbraw/zinc/94/15/42/894941542.db2.gz RTUANHIVRHKWIY-UHFFFAOYSA-N 2 2 378.879 3.722 20 10 GHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Br)ccc1O ZINC000817941063 895971136 /nfs/dbraw/zinc/97/11/36/895971136.db2.gz IKVKNVORLZIUGO-SJKOYZFVSA-N 2 2 378.314 3.571 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153679594 904387644 /nfs/dbraw/zinc/38/76/44/904387644.db2.gz OLUWTTNGIYUFFQ-MRXNPFEDSA-N 2 2 398.457 3.838 20 10 GHCDLP [NH3+][C@H](c1ccccc1O)[C@H]([NH2+][C@H]1Cc2cccc(F)c2C1)c1ccccc1O ZINC001171783322 905046437 /nfs/dbraw/zinc/04/64/37/905046437.db2.gz OIFSKRDQPJJYDK-WADWEFIESA-N 2 2 378.447 3.735 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cnn(C(C)C)c3C)CC2)cc1 ZINC000191132903 906668129 /nfs/dbraw/zinc/66/81/29/906668129.db2.gz WFUGINLCQCTEGZ-LJQANCHMSA-N 2 2 399.583 3.644 20 10 GHCDLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(N4CCCC4)cc2)CC3)n1 ZINC001204322069 1032766674 /nfs/dbraw/zinc/76/66/74/1032766674.db2.gz HUWCDYDUGOMUQL-UHFFFAOYSA-N 2 2 393.579 3.651 20 10 GHCDLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccc(N4CCCC4)cc2)CC3)n1 ZINC001204322069 1032766686 /nfs/dbraw/zinc/76/66/86/1032766686.db2.gz HUWCDYDUGOMUQL-UHFFFAOYSA-N 2 2 393.579 3.651 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cc(C)ccc3O)CC2)cc1 ZINC000834887908 1021623421 /nfs/dbraw/zinc/62/34/21/1021623421.db2.gz ZBWNUVOYJSVJKW-QGZVFWFLSA-N 2 2 381.520 3.974 20 10 GHCDLP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1O ZINC000756400435 1023629966 /nfs/dbraw/zinc/62/99/66/1023629966.db2.gz KIGXWYDDNNAAGC-IIBYNOLFSA-N 2 2 389.490 3.700 20 10 GHCDLP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1O ZINC000756400435 1023629971 /nfs/dbraw/zinc/62/99/71/1023629971.db2.gz KIGXWYDDNNAAGC-IIBYNOLFSA-N 2 2 389.490 3.700 20 10 GHCDLP COc1ccc(O)c(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c1 ZINC001203675275 1027525758 /nfs/dbraw/zinc/52/57/58/1027525758.db2.gz RXQYSIBYGIEKQW-UHFFFAOYSA-N 2 2 375.428 3.908 20 10 GHCDLP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001461270575 1069473271 /nfs/dbraw/zinc/47/32/71/1069473271.db2.gz YZPXZYJQVIQSDW-FQEVSTJZSA-N 2 2 375.607 3.911 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)cc1 ZINC000841044296 1028064465 /nfs/dbraw/zinc/06/44/65/1028064465.db2.gz VLCRTSDQVKAAJU-HXUWFJFHSA-N 2 2 389.503 3.689 20 10 GHCDLP CCN(CC)c1cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)nc[nH+]1 ZINC001160619461 1035018561 /nfs/dbraw/zinc/01/85/61/1035018561.db2.gz ZJKFNKKAZRVOGA-FGZHOGPDSA-N 2 2 393.491 3.587 20 10 GHCDLP COc1ccc(N2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(C)c1 ZINC001208951603 1035123891 /nfs/dbraw/zinc/12/38/91/1035123891.db2.gz ACDQCPNFLAVSJF-JOCHJYFZSA-N 2 2 379.548 3.648 20 10 GHCDLP COc1ccc(N2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(C)c1 ZINC001208951603 1035123899 /nfs/dbraw/zinc/12/38/99/1035123899.db2.gz ACDQCPNFLAVSJF-JOCHJYFZSA-N 2 2 379.548 3.648 20 10 GHCDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199507 1035157109 /nfs/dbraw/zinc/15/71/09/1035157109.db2.gz ATSYAJYCZSHXBC-UHFFFAOYSA-N 2 2 396.922 3.994 20 10 GHCDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199507 1035157113 /nfs/dbraw/zinc/15/71/13/1035157113.db2.gz ATSYAJYCZSHXBC-UHFFFAOYSA-N 2 2 396.922 3.994 20 10 GHCDLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001278491254 1038313216 /nfs/dbraw/zinc/31/32/16/1038313216.db2.gz SCASDASPXAIMRE-UHFFFAOYSA-N 2 2 377.941 3.909 20 10 GHCDLP COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1Br ZINC001233143128 1038921746 /nfs/dbraw/zinc/92/17/46/1038921746.db2.gz XOKDJOUEBDGNQC-CQSZACIVSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1Br ZINC001233143128 1038921749 /nfs/dbraw/zinc/92/17/49/1038921749.db2.gz XOKDJOUEBDGNQC-CQSZACIVSA-N 2 2 393.281 3.520 20 10 GHCDLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(F)c3O)C2)ccn1 ZINC001462457719 1070267806 /nfs/dbraw/zinc/26/78/06/1070267806.db2.gz JHDXOXFCMSUICS-SFHVURJKSA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(F)c3O)C2)ccn1 ZINC001462457719 1070267820 /nfs/dbraw/zinc/26/78/20/1070267820.db2.gz JHDXOXFCMSUICS-SFHVURJKSA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)ccn1 ZINC001462457719 1070267832 /nfs/dbraw/zinc/26/78/32/1070267832.db2.gz JHDXOXFCMSUICS-SFHVURJKSA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)ccn1 ZINC001462457719 1070267843 /nfs/dbraw/zinc/26/78/43/1070267843.db2.gz JHDXOXFCMSUICS-SFHVURJKSA-N 2 2 391.462 3.559 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2CCOCC23CC[NH2+]CC3)c(O)c1 ZINC001235128963 1040619854 /nfs/dbraw/zinc/61/98/54/1040619854.db2.gz JZDCILNSEGRPBL-UHFFFAOYSA-N 2 2 389.584 3.753 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@H+]2CCOCC23CC[NH2+]CC3)c(O)c1 ZINC001235128963 1040619874 /nfs/dbraw/zinc/61/98/74/1040619874.db2.gz JZDCILNSEGRPBL-UHFFFAOYSA-N 2 2 389.584 3.753 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(F)c(Cl)cc3F)cc2F)CC1 ZINC001256194415 1041640799 /nfs/dbraw/zinc/64/07/99/1041640799.db2.gz NYNRUPCUTNFRGI-UHFFFAOYSA-N 2 2 383.845 3.799 20 10 GHCDLP COCC[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CCC[NH2+]C1 ZINC001236333686 1041675790 /nfs/dbraw/zinc/67/57/90/1041675790.db2.gz YISKSVNBKCFESF-INIZCTEOSA-N 2 2 393.325 3.508 20 10 GHCDLP COCC[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CCC[NH2+]C1 ZINC001236333686 1041675794 /nfs/dbraw/zinc/67/57/94/1041675794.db2.gz YISKSVNBKCFESF-INIZCTEOSA-N 2 2 393.325 3.508 20 10 GHCDLP CN1CCOc2cc(C[N@H+](Cc3ccc(F)c(F)c3)C3CC[NH2+]CC3)ccc21 ZINC001236505420 1041743987 /nfs/dbraw/zinc/74/39/87/1041743987.db2.gz PYLFEVUSMHBISV-UHFFFAOYSA-N 2 2 387.474 3.548 20 10 GHCDLP CN1CCOc2cc(C[N@@H+](Cc3ccc(F)c(F)c3)C3CC[NH2+]CC3)ccc21 ZINC001236505420 1041743994 /nfs/dbraw/zinc/74/39/94/1041743994.db2.gz PYLFEVUSMHBISV-UHFFFAOYSA-N 2 2 387.474 3.548 20 10 GHCDLP COc1cc(O)c(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1OC ZINC001236751018 1041872044 /nfs/dbraw/zinc/87/20/44/1041872044.db2.gz BEELHORGRCHONV-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP COc1cc(O)c(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1OC ZINC001236751018 1041872047 /nfs/dbraw/zinc/87/20/47/1041872047.db2.gz BEELHORGRCHONV-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP CN1CCC([N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C2CC[NH2+]CC2)CC1 ZINC001237038427 1041999076 /nfs/dbraw/zinc/99/90/76/1041999076.db2.gz FNBISBQTDNOLIQ-UHFFFAOYSA-N 2 2 394.003 3.991 20 10 GHCDLP CN1CCC([N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C2CC[NH2+]CC2)CC1 ZINC001237038427 1041999078 /nfs/dbraw/zinc/99/90/78/1041999078.db2.gz FNBISBQTDNOLIQ-UHFFFAOYSA-N 2 2 394.003 3.991 20 10 GHCDLP Cc1cccc(N2CCC[N@H+](Cc3c(O)cccc3OC(F)(F)F)CC2)[nH+]1 ZINC001237113769 1042045237 /nfs/dbraw/zinc/04/52/37/1042045237.db2.gz DDTVTHJNWNRXJY-UHFFFAOYSA-N 2 2 381.398 3.707 20 10 GHCDLP Cc1cccc(N2CCC[N@@H+](Cc3c(O)cccc3OC(F)(F)F)CC2)[nH+]1 ZINC001237113769 1042045246 /nfs/dbraw/zinc/04/52/46/1042045246.db2.gz DDTVTHJNWNRXJY-UHFFFAOYSA-N 2 2 381.398 3.707 20 10 GHCDLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(O)cc1O ZINC001279572327 1047842265 /nfs/dbraw/zinc/84/22/65/1047842265.db2.gz JDTGTGZVYPTLND-GOOCMWNKSA-N 2 2 393.940 3.801 20 10 GHCDLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001279572327 1047842273 /nfs/dbraw/zinc/84/22/73/1047842273.db2.gz JDTGTGZVYPTLND-GOOCMWNKSA-N 2 2 393.940 3.801 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3nccs3)c3ccccc3)cc2)CC1 ZINC001308235561 1049921860 /nfs/dbraw/zinc/92/18/60/1049921860.db2.gz CWLZCRBRMXFQHY-OAQYLSRUSA-N 2 2 378.545 3.774 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cc(F)c(F)cc3O)cc2)C[C@H](C)O1 ZINC001308916744 1050166181 /nfs/dbraw/zinc/16/61/81/1050166181.db2.gz ZZRQRUXFPOJUJM-IYBDPMFKSA-N 2 2 390.474 3.912 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cc(F)c(F)cc3O)cc2)C[C@H](C)O1 ZINC001308916744 1050166194 /nfs/dbraw/zinc/16/61/94/1050166194.db2.gz ZZRQRUXFPOJUJM-IYBDPMFKSA-N 2 2 390.474 3.912 20 10 GHCDLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cc(F)c(F)cc3O)cc2)C[C@H](C)O1 ZINC001308916744 1050166206 /nfs/dbraw/zinc/16/62/06/1050166206.db2.gz ZZRQRUXFPOJUJM-IYBDPMFKSA-N 2 2 390.474 3.912 20 10 GHCDLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cc(F)c(F)cc3O)cc2)C[C@H](C)O1 ZINC001308916744 1050166216 /nfs/dbraw/zinc/16/62/16/1050166216.db2.gz ZZRQRUXFPOJUJM-IYBDPMFKSA-N 2 2 390.474 3.912 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)c3cccnc3)cc2F)CC1 ZINC001200076701 1065143652 /nfs/dbraw/zinc/14/36/52/1065143652.db2.gz JUYHGWRCKRMRIW-XMMPIXPASA-N 2 2 390.506 3.852 20 10 GHCDLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000764828190 859620951 /nfs/dbraw/zinc/62/09/51/859620951.db2.gz QFNIGAVKWDPVAR-KRWDZBQOSA-N 2 2 379.976 3.948 20 10 GHCDLP CN1CCCc2cc(C[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)ccc21 ZINC000765482810 859996500 /nfs/dbraw/zinc/99/65/00/859996500.db2.gz VERRXGBCZMEMOZ-UHFFFAOYSA-N 2 2 378.564 3.894 20 10 GHCDLP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(O)c(C(C)(C)C)c1 ZINC000850034851 876619022 /nfs/dbraw/zinc/61/90/22/876619022.db2.gz RWFWUMATVDTAIB-UHFFFAOYSA-N 2 2 398.547 3.820 20 10 GHCDLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000918699167 884185452 /nfs/dbraw/zinc/18/54/52/884185452.db2.gz AEVGOKWRQJQSSB-UHFFFAOYSA-N 2 2 396.579 3.501 20 10 GHCDLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000918699167 884185460 /nfs/dbraw/zinc/18/54/60/884185460.db2.gz AEVGOKWRQJQSSB-UHFFFAOYSA-N 2 2 396.579 3.501 20 10 GHCDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142520281 884475498 /nfs/dbraw/zinc/47/54/98/884475498.db2.gz FHFNMNULRZBDAX-RRMPHLOHSA-N 2 2 387.474 3.798 20 10 GHCDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142520281 884475507 /nfs/dbraw/zinc/47/55/07/884475507.db2.gz FHFNMNULRZBDAX-RRMPHLOHSA-N 2 2 387.474 3.798 20 10 GHCDLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142520281 884475521 /nfs/dbraw/zinc/47/55/21/884475521.db2.gz FHFNMNULRZBDAX-RRMPHLOHSA-N 2 2 387.474 3.798 20 10 GHCDLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142520281 884475526 /nfs/dbraw/zinc/47/55/26/884475526.db2.gz FHFNMNULRZBDAX-RRMPHLOHSA-N 2 2 387.474 3.798 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646210 887259402 /nfs/dbraw/zinc/25/94/02/887259402.db2.gz QRAUWTLZPNPMLS-OCCSQVGLSA-N 2 2 383.380 3.731 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646210 887259422 /nfs/dbraw/zinc/25/94/22/887259422.db2.gz QRAUWTLZPNPMLS-OCCSQVGLSA-N 2 2 383.380 3.731 20 10 GHCDLP Oc1cc2c(cc1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1)OCO2 ZINC000809752775 887794017 /nfs/dbraw/zinc/79/40/17/887794017.db2.gz IKOOMTUQCCWOBZ-UHFFFAOYSA-N 2 2 385.851 3.673 20 10 GHCDLP Oc1cc2c(cc1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1)OCO2 ZINC000809752775 887794025 /nfs/dbraw/zinc/79/40/25/887794025.db2.gz IKOOMTUQCCWOBZ-UHFFFAOYSA-N 2 2 385.851 3.673 20 10 GHCDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877532620 893670294 /nfs/dbraw/zinc/67/02/94/893670294.db2.gz YNHUIKBWLGWXQF-UHFFFAOYSA-N 2 2 393.575 3.744 20 10 GHCDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877532620 893670302 /nfs/dbraw/zinc/67/03/02/893670302.db2.gz YNHUIKBWLGWXQF-UHFFFAOYSA-N 2 2 393.575 3.744 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCc3sc(Br)cc32)cc1 ZINC000817941864 895970826 /nfs/dbraw/zinc/97/08/26/895970826.db2.gz LHQRICIRPPOYRY-CABCVRRESA-N 2 2 380.355 3.854 20 10 GHCDLP Oc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192932410 908022885 /nfs/dbraw/zinc/02/28/85/908022885.db2.gz BJIWDVDZJAIFEJ-INIZCTEOSA-N 2 2 375.310 3.766 20 10 GHCDLP Oc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192932410 908022898 /nfs/dbraw/zinc/02/28/98/908022898.db2.gz BJIWDVDZJAIFEJ-INIZCTEOSA-N 2 2 375.310 3.766 20 10 GHCDLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1cc(Br)ccc1O ZINC000903381881 922978543 /nfs/dbraw/zinc/97/85/43/922978543.db2.gz ZJWLDTPIZFYXEI-CXAGYDPISA-N 2 2 378.314 3.893 20 10 GHCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(C(F)(F)F)c1O ZINC000798181301 932554176 /nfs/dbraw/zinc/55/41/76/932554176.db2.gz IHZZGTMVTXRPQP-KKXDTOCCSA-N 2 2 386.458 3.830 20 10 GHCDLP CCOc1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1OC(F)F ZINC000841043488 1028063247 /nfs/dbraw/zinc/06/32/47/1028063247.db2.gz OUPDCGUXANHBAU-QGZVFWFLSA-N 2 2 379.451 3.542 20 10 GHCDLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000841044976 1028064132 /nfs/dbraw/zinc/06/41/32/1028064132.db2.gz HEGUHRYACIDFPB-FOIQADDNSA-N 2 2 388.943 3.721 20 10 GHCDLP COc1cc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c(O)cc1O ZINC001231637042 1034795171 /nfs/dbraw/zinc/79/51/71/1034795171.db2.gz YQLZBZUECNXCTE-UHFFFAOYSA-N 2 2 391.427 3.614 20 10 GHCDLP Cc1cc(O)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1Cl ZINC001231867529 1034953805 /nfs/dbraw/zinc/95/38/05/1034953805.db2.gz OAPCZPOKWGSOEB-UHFFFAOYSA-N 2 2 390.911 3.814 20 10 GHCDLP Cc1cc(O)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1Cl ZINC001231867529 1034953813 /nfs/dbraw/zinc/95/38/13/1034953813.db2.gz OAPCZPOKWGSOEB-UHFFFAOYSA-N 2 2 390.911 3.814 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246520863 1037455151 /nfs/dbraw/zinc/45/51/51/1037455151.db2.gz KXOGRRHZHZQMLB-REWPJTCUSA-N 2 2 383.511 3.758 20 10 GHCDLP CC[NH+]1CCN(c2ccc(O[C@@H]3CCCN(c4ccc(C)c[nH+]4)C3)cc2)CC1 ZINC001234661164 1040195611 /nfs/dbraw/zinc/19/56/11/1040195611.db2.gz QQBRBVALKVPBPM-JOCHJYFZSA-N 2 2 380.536 3.580 20 10 GHCDLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236757104 1041875883 /nfs/dbraw/zinc/87/58/83/1041875883.db2.gz ZSKJVOOBRWTTSL-UHFFFAOYSA-N 2 2 384.520 3.896 20 10 GHCDLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236757104 1041875893 /nfs/dbraw/zinc/87/58/93/1041875893.db2.gz ZSKJVOOBRWTTSL-UHFFFAOYSA-N 2 2 384.520 3.896 20 10 GHCDLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(O)c(Br)cc1O ZINC001236770093 1041882048 /nfs/dbraw/zinc/88/20/48/1041882048.db2.gz CYMZXPAFINEPEQ-GJZGRUSLSA-N 2 2 383.330 3.699 20 10 GHCDLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(O)c(Br)cc1O ZINC001236770093 1041882053 /nfs/dbraw/zinc/88/20/53/1041882053.db2.gz CYMZXPAFINEPEQ-GJZGRUSLSA-N 2 2 383.330 3.699 20 10 GHCDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236770093 1041882058 /nfs/dbraw/zinc/88/20/58/1041882058.db2.gz CYMZXPAFINEPEQ-GJZGRUSLSA-N 2 2 383.330 3.699 20 10 GHCDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(O)c(Br)cc1O ZINC001236770093 1041882061 /nfs/dbraw/zinc/88/20/61/1041882061.db2.gz CYMZXPAFINEPEQ-GJZGRUSLSA-N 2 2 383.330 3.699 20 10 GHCDLP COc1cc(O)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(Cl)c1 ZINC001236795486 1041899194 /nfs/dbraw/zinc/89/91/94/1041899194.db2.gz MTFFLFLLCDZGLG-HDICACEKSA-N 2 2 386.923 3.926 20 10 GHCDLP COc1cc(O)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(Cl)c1 ZINC001236795486 1041899203 /nfs/dbraw/zinc/89/92/03/1041899203.db2.gz MTFFLFLLCDZGLG-HDICACEKSA-N 2 2 386.923 3.926 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)c(Cl)c1 ZINC001236795486 1041899212 /nfs/dbraw/zinc/89/92/12/1041899212.db2.gz MTFFLFLLCDZGLG-HDICACEKSA-N 2 2 386.923 3.926 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)c(Cl)c1 ZINC001236795486 1041899223 /nfs/dbraw/zinc/89/92/23/1041899223.db2.gz MTFFLFLLCDZGLG-HDICACEKSA-N 2 2 386.923 3.926 20 10 GHCDLP COc1cc(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c(O)c(OC)c1 ZINC001237683730 1042325171 /nfs/dbraw/zinc/32/51/71/1042325171.db2.gz JPXYBZMOTCQXJY-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP COc1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c(O)c(OC)c1 ZINC001237683730 1042325178 /nfs/dbraw/zinc/32/51/78/1042325178.db2.gz JPXYBZMOTCQXJY-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC001257222763 1043941329 /nfs/dbraw/zinc/94/13/29/1043941329.db2.gz FMDJKUNIDYTILW-UHFFFAOYSA-N 2 2 394.563 3.655 20 10 GHCDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(N4CCCC4)cc3)CC2)c1 ZINC001322601109 1056765539 /nfs/dbraw/zinc/76/55/39/1056765539.db2.gz QIQHULAQDQWUFT-UHFFFAOYSA-N 2 2 392.591 3.897 20 10 GHCDLP COc1cc(Br)cc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c1O ZINC000848530830 1057152659 /nfs/dbraw/zinc/15/26/59/1057152659.db2.gz HHMGBYIUVXUGNO-GFCCVEGCSA-N 2 2 380.286 3.711 20 10 GHCDLP COc1cc(Br)cc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c1O ZINC000848530831 1057152815 /nfs/dbraw/zinc/15/28/15/1057152815.db2.gz HHMGBYIUVXUGNO-LBPRGKRZSA-N 2 2 380.286 3.711 20 10 GHCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cc1cc(F)c(F)c(F)c1 ZINC001324967138 1057255303 /nfs/dbraw/zinc/25/53/03/1057255303.db2.gz KXQZUPQEVVRAPT-UHFFFAOYSA-N 2 2 381.417 3.627 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cc1cc(F)c(F)c(F)c1 ZINC001324967138 1057255306 /nfs/dbraw/zinc/25/53/06/1057255306.db2.gz KXQZUPQEVVRAPT-UHFFFAOYSA-N 2 2 381.417 3.627 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C/C=C/c3ccccc3OC)CC2)cc1 ZINC000237270339 861965754 /nfs/dbraw/zinc/96/57/54/861965754.db2.gz YODPVYIXHOXHJV-VMPITWQZSA-N 2 2 395.547 3.519 20 10 GHCDLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000764683046 859567162 /nfs/dbraw/zinc/56/71/62/859567162.db2.gz KRRAQMGWPJRODA-IBGZPJMESA-N 2 2 383.536 3.567 20 10 GHCDLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000764828192 859620886 /nfs/dbraw/zinc/62/08/86/859620886.db2.gz QFNIGAVKWDPVAR-QGZVFWFLSA-N 2 2 379.976 3.948 20 10 GHCDLP CCC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)Cc1ccccc1O ZINC000743869804 868466220 /nfs/dbraw/zinc/46/62/20/868466220.db2.gz ARUTWYYYGRGHAP-HXUWFJFHSA-N 2 2 395.547 3.510 20 10 GHCDLP CCC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)Cc1ccccc1O ZINC000743869804 868466228 /nfs/dbraw/zinc/46/62/28/868466228.db2.gz ARUTWYYYGRGHAP-HXUWFJFHSA-N 2 2 395.547 3.510 20 10 GHCDLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000742387647 872909693 /nfs/dbraw/zinc/90/96/93/872909693.db2.gz IRTSMXMHFXSKFT-QGZVFWFLSA-N 2 2 386.293 3.962 20 10 GHCDLP Oc1c(Cl)cccc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000776252326 876031936 /nfs/dbraw/zinc/03/19/36/876031936.db2.gz QOYLZPHJVTVIAN-UHFFFAOYSA-N 2 2 385.939 3.867 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850565609 877031844 /nfs/dbraw/zinc/03/18/44/877031844.db2.gz GWPIKVDIVXRHNO-GOSISDBHSA-N 2 2 376.504 3.684 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)Cc3cccc(F)c3)CC2)cc1 ZINC001168456844 879259962 /nfs/dbraw/zinc/25/99/62/879259962.db2.gz XINDPZLQKNONMB-IBGZPJMESA-N 2 2 385.527 3.567 20 10 GHCDLP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c(O)ccc(Cl)c3F)CC2)oc1C ZINC000191010586 884145361 /nfs/dbraw/zinc/14/53/61/884145361.db2.gz COFJTCNHAYFXNB-UHFFFAOYSA-N 2 2 381.879 3.791 20 10 GHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1O ZINC000808697666 886716494 /nfs/dbraw/zinc/71/64/94/886716494.db2.gz QPYTZSAUMSYPKF-MDKPJZGXSA-N 2 2 388.939 3.888 20 10 GHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1O ZINC000808697666 886716508 /nfs/dbraw/zinc/71/65/08/886716508.db2.gz QPYTZSAUMSYPKF-MDKPJZGXSA-N 2 2 388.939 3.888 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646203 887259476 /nfs/dbraw/zinc/25/94/76/887259476.db2.gz QRAUWTLZPNPMLS-GXTWGEPZSA-N 2 2 383.380 3.731 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646203 887259494 /nfs/dbraw/zinc/25/94/94/887259494.db2.gz QRAUWTLZPNPMLS-GXTWGEPZSA-N 2 2 383.380 3.731 20 10 GHCDLP C[N@H+](Cc1ccc2ccccc2c1O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000816575366 894953050 /nfs/dbraw/zinc/95/30/50/894953050.db2.gz KVFIVWYOERKRAY-DEOSSOPVSA-N 2 2 376.500 3.614 20 10 GHCDLP C[N@@H+](Cc1ccc2ccccc2c1O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000816575366 894953072 /nfs/dbraw/zinc/95/30/72/894953072.db2.gz KVFIVWYOERKRAY-DEOSSOPVSA-N 2 2 376.500 3.614 20 10 GHCDLP C[NH+](Cc1ccc2ccccc2c1O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000816575366 894953082 /nfs/dbraw/zinc/95/30/82/894953082.db2.gz KVFIVWYOERKRAY-DEOSSOPVSA-N 2 2 376.500 3.614 20 10 GHCDLP C[NH+](Cc1ccc2ccccc2c1O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000816575366 894953092 /nfs/dbraw/zinc/95/30/92/894953092.db2.gz KVFIVWYOERKRAY-DEOSSOPVSA-N 2 2 376.500 3.614 20 10 GHCDLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939199 895968962 /nfs/dbraw/zinc/96/89/62/895968962.db2.gz AIXJBRRIFGIGHX-RPWUZVMVSA-N 2 2 390.531 3.730 20 10 GHCDLP CCOc1ccc(O)c(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000824904104 899870263 /nfs/dbraw/zinc/87/02/63/899870263.db2.gz URHBBANNOFOSTD-UHFFFAOYSA-N 2 2 397.519 3.504 20 10 GHCDLP CCC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)Cc1ccccc1O ZINC001180189700 910027304 /nfs/dbraw/zinc/02/73/04/910027304.db2.gz UTIWBRCXYDEGGR-UHFFFAOYSA-N 2 2 384.520 3.515 20 10 GHCDLP CCC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)Cc1ccccc1O ZINC001180189700 910027320 /nfs/dbraw/zinc/02/73/20/910027320.db2.gz UTIWBRCXYDEGGR-UHFFFAOYSA-N 2 2 384.520 3.515 20 10 GHCDLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1cc(Br)ccc1O ZINC000903381887 922978949 /nfs/dbraw/zinc/97/89/49/922978949.db2.gz ZJWLDTPIZFYXEI-GUYCJALGSA-N 2 2 378.314 3.893 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000782518114 931251865 /nfs/dbraw/zinc/25/18/65/931251865.db2.gz DEPRRUKESWIMBM-ZWKOTPCHSA-N 2 2 399.501 3.918 20 10 GHCDLP Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001140661602 1022198706 /nfs/dbraw/zinc/19/87/06/1022198706.db2.gz LBXKHUDWOMHFBH-FQEVSTJZSA-N 2 2 375.532 3.503 20 10 GHCDLP Fc1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001140661602 1022198733 /nfs/dbraw/zinc/19/87/33/1022198733.db2.gz LBXKHUDWOMHFBH-FQEVSTJZSA-N 2 2 375.532 3.503 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000756596982 1023728356 /nfs/dbraw/zinc/72/83/56/1023728356.db2.gz IMPHQEKOFJYABC-NBQZKYEYSA-N 2 2 388.533 3.974 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000756596982 1023728361 /nfs/dbraw/zinc/72/83/61/1023728361.db2.gz IMPHQEKOFJYABC-NBQZKYEYSA-N 2 2 388.533 3.974 20 10 GHCDLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCCC5)cc4)C[C@H]3C2)nc1 ZINC001138217129 1024387879 /nfs/dbraw/zinc/38/78/79/1024387879.db2.gz XSDAIJWOQNCAKI-VXKWHMMOSA-N 2 2 376.548 3.636 20 10 GHCDLP C[N@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499450 1024932035 /nfs/dbraw/zinc/93/20/35/1024932035.db2.gz KMZBENXHHWZJHM-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499450 1024932036 /nfs/dbraw/zinc/93/20/36/1024932036.db2.gz KMZBENXHHWZJHM-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP COc1ccc(N2CC[NH+](Cc3ccccc3-n3cc[nH+]c3C)CC2)c(OC)c1 ZINC001140027233 1026814789 /nfs/dbraw/zinc/81/47/89/1026814789.db2.gz CZTWOFXIPFHWMN-UHFFFAOYSA-N 2 2 392.503 3.520 20 10 GHCDLP Cc1ccc(C[N@H+](Cc2cc(Cl)c(O)cc2O)C2CC[NH2+]CC2)c(F)c1 ZINC001236490690 1041737734 /nfs/dbraw/zinc/73/77/34/1041737734.db2.gz QDQTWWWWWLWQNJ-UHFFFAOYSA-N 2 2 378.875 3.953 20 10 GHCDLP Cc1ccc(C[N@@H+](Cc2cc(Cl)c(O)cc2O)C2CC[NH2+]CC2)c(F)c1 ZINC001236490690 1041737738 /nfs/dbraw/zinc/73/77/38/1041737738.db2.gz QDQTWWWWWLWQNJ-UHFFFAOYSA-N 2 2 378.875 3.953 20 10 GHCDLP [NH3+][C@@H]1CCC12CC[NH+](Cc1cc(Br)cc(C(F)(F)F)c1O)CC2 ZINC001237359447 1042168234 /nfs/dbraw/zinc/16/82/34/1042168234.db2.gz OMUVPYZMALEPJU-CYBMUJFWSA-N 2 2 393.247 3.877 20 10 GHCDLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676860 1042318661 /nfs/dbraw/zinc/31/86/61/1042318661.db2.gz ROUKGAOUCYFZDH-UHFFFAOYSA-N 2 2 384.520 3.896 20 10 GHCDLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676860 1042318668 /nfs/dbraw/zinc/31/86/68/1042318668.db2.gz ROUKGAOUCYFZDH-UHFFFAOYSA-N 2 2 384.520 3.896 20 10 GHCDLP C[NH+](C)CC1CC[NH+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001237780298 1042365331 /nfs/dbraw/zinc/36/53/31/1042365331.db2.gz AXRNAUJYJMEPGO-UHFFFAOYSA-N 2 2 395.263 3.947 20 10 GHCDLP CC[N@@H+](Cc1cc(OC)c(OC)cc1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160321422 858809674 /nfs/dbraw/zinc/80/96/74/858809674.db2.gz HZGBIVMGLZMWGW-UHFFFAOYSA-N 2 2 385.508 3.543 20 10 GHCDLP CC[N@H+](Cc1cc(OC)c(OC)cc1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160321422 858809682 /nfs/dbraw/zinc/80/96/82/858809682.db2.gz HZGBIVMGLZMWGW-UHFFFAOYSA-N 2 2 385.508 3.543 20 10 GHCDLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000185360551 866015889 /nfs/dbraw/zinc/01/58/89/866015889.db2.gz HKUREXHISGACRQ-CABCVRRESA-N 2 2 375.463 3.834 20 10 GHCDLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000841031431 869331702 /nfs/dbraw/zinc/33/17/02/869331702.db2.gz RXUDKPHEDBAQRL-ZANVPECISA-N 2 2 392.135 3.524 20 10 GHCDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769148787 873847395 /nfs/dbraw/zinc/84/73/95/873847395.db2.gz RZDAPEFRXHZPDO-FPOVZHCZSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769148787 873847406 /nfs/dbraw/zinc/84/74/06/873847406.db2.gz RZDAPEFRXHZPDO-FPOVZHCZSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769148787 873847419 /nfs/dbraw/zinc/84/74/19/873847419.db2.gz RZDAPEFRXHZPDO-FPOVZHCZSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769148787 873847431 /nfs/dbraw/zinc/84/74/31/873847431.db2.gz RZDAPEFRXHZPDO-FPOVZHCZSA-N 2 2 389.559 3.749 20 10 GHCDLP C[NH+]1CCC([N@H+](CCO)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000771939599 875561506 /nfs/dbraw/zinc/56/15/06/875561506.db2.gz RPVCWFUVYKQLKH-UHFFFAOYSA-N 2 2 376.585 3.876 20 10 GHCDLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000771939599 875561515 /nfs/dbraw/zinc/56/15/15/875561515.db2.gz RPVCWFUVYKQLKH-UHFFFAOYSA-N 2 2 376.585 3.876 20 10 GHCDLP CC(=O)c1cc(F)cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000787305285 877331034 /nfs/dbraw/zinc/33/10/34/877331034.db2.gz ZJVCTGVUNZBXDT-HOTGVXAUSA-N 2 2 384.495 3.980 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000180781242 879339380 /nfs/dbraw/zinc/33/93/80/879339380.db2.gz COLXQPMGKCHIJN-DYVFJYSZSA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000180781242 879339396 /nfs/dbraw/zinc/33/93/96/879339396.db2.gz COLXQPMGKCHIJN-DYVFJYSZSA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000180781242 879339403 /nfs/dbraw/zinc/33/94/03/879339403.db2.gz COLXQPMGKCHIJN-DYVFJYSZSA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000180781242 879339417 /nfs/dbraw/zinc/33/94/17/879339417.db2.gz COLXQPMGKCHIJN-DYVFJYSZSA-N 2 2 395.341 3.612 20 10 GHCDLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)cc1O ZINC000185026163 883398828 /nfs/dbraw/zinc/39/88/28/883398828.db2.gz PASKZNZUUARHEF-CYBMUJFWSA-N 2 2 376.298 3.869 20 10 GHCDLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000863327466 887033415 /nfs/dbraw/zinc/03/34/15/887033415.db2.gz KHJZNCTUHBNKGP-UHFFFAOYSA-N 2 2 384.520 3.631 20 10 GHCDLP Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c(O)c1 ZINC000815566004 894003099 /nfs/dbraw/zinc/00/30/99/894003099.db2.gz GHLHNOBSUWMZPW-LJQANCHMSA-N 2 2 384.520 3.571 20 10 GHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Br)ccc1O ZINC000817941059 895970116 /nfs/dbraw/zinc/97/01/16/895970116.db2.gz IKVKNVORLZIUGO-PXAZEXFGSA-N 2 2 378.314 3.571 20 10 GHCDLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000796317149 914510761 /nfs/dbraw/zinc/51/07/61/914510761.db2.gz XQBMQDYFGCJTBA-CQSZACIVSA-N 2 2 396.507 3.565 20 10 GHCDLP CC[N@H+](CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCCCC1 ZINC001179091358 909381542 /nfs/dbraw/zinc/38/15/42/909381542.db2.gz RJIVKPQLLVJWLE-UHFFFAOYSA-N 3 2 390.591 3.712 20 10 GHCDLP CC[N@@H+](CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCCCC1 ZINC001179091358 909381562 /nfs/dbraw/zinc/38/15/62/909381562.db2.gz RJIVKPQLLVJWLE-UHFFFAOYSA-N 3 2 390.591 3.712 20 10 GHCDLP CC[N@H+](CCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCCCC1 ZINC001179091358 909381579 /nfs/dbraw/zinc/38/15/79/909381579.db2.gz RJIVKPQLLVJWLE-UHFFFAOYSA-N 2 2 390.591 3.712 20 10 GHCDLP CC[N@@H+](CCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCCCC1 ZINC001179091358 909381596 /nfs/dbraw/zinc/38/15/96/909381596.db2.gz RJIVKPQLLVJWLE-UHFFFAOYSA-N 2 2 390.591 3.712 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902762999 922480513 /nfs/dbraw/zinc/48/05/13/922480513.db2.gz SWYSTSIURFLLML-LJQANCHMSA-N 2 2 390.531 3.932 20 10 GHCDLP CCN(CC)c1cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc[nH+]1 ZINC001155641053 1032617351 /nfs/dbraw/zinc/61/73/51/1032617351.db2.gz VMQVPASFJKQVPW-DZCCDHAISA-N 2 2 381.568 3.722 20 10 GHCDLP CCN(CC)c1cc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)nc[nH+]1 ZINC001155641053 1032617360 /nfs/dbraw/zinc/61/73/60/1032617360.db2.gz VMQVPASFJKQVPW-DZCCDHAISA-N 2 2 381.568 3.722 20 10 GHCDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092587972 1021085165 /nfs/dbraw/zinc/08/51/65/1021085165.db2.gz RZDAPEFRXHZPDO-PZJWPPBQSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092587972 1021085173 /nfs/dbraw/zinc/08/51/73/1021085173.db2.gz RZDAPEFRXHZPDO-PZJWPPBQSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092587972 1021085186 /nfs/dbraw/zinc/08/51/86/1021085186.db2.gz RZDAPEFRXHZPDO-PZJWPPBQSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092587972 1021085196 /nfs/dbraw/zinc/08/51/96/1021085196.db2.gz RZDAPEFRXHZPDO-PZJWPPBQSA-N 2 2 389.559 3.749 20 10 GHCDLP Cc1ccc(O)c(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001140620610 1022093131 /nfs/dbraw/zinc/09/31/31/1022093131.db2.gz VDMHFOZOWFCJDY-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1ccc(O)c(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001140620610 1022093137 /nfs/dbraw/zinc/09/31/37/1022093137.db2.gz VDMHFOZOWFCJDY-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1ccc(O)c(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1 ZINC001140620610 1022093150 /nfs/dbraw/zinc/09/31/50/1022093150.db2.gz VDMHFOZOWFCJDY-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1ccc(O)c(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1 ZINC001140620610 1022093156 /nfs/dbraw/zinc/09/31/56/1022093156.db2.gz VDMHFOZOWFCJDY-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C1 ZINC001138222016 1024398914 /nfs/dbraw/zinc/39/89/14/1024398914.db2.gz BBTKYLLLQKNCAE-NRFANRHFSA-N 2 2 399.579 3.526 20 10 GHCDLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C1 ZINC001138222016 1024398939 /nfs/dbraw/zinc/39/89/39/1024398939.db2.gz BBTKYLLLQKNCAE-NRFANRHFSA-N 2 2 399.579 3.526 20 10 GHCDLP Brc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1N1CCCCC1 ZINC000839108069 1025608306 /nfs/dbraw/zinc/60/83/06/1025608306.db2.gz XQNXRUDSDNZVQS-HNNXBMFYSA-N 2 2 389.341 3.810 20 10 GHCDLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045738 1028066272 /nfs/dbraw/zinc/06/62/72/1028066272.db2.gz PCDGFMHHBRKWII-DNVCBOLYSA-N 2 2 388.943 3.721 20 10 GHCDLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045740 1028067540 /nfs/dbraw/zinc/06/75/40/1028067540.db2.gz PCDGFMHHBRKWII-KXBFYZLASA-N 2 2 388.943 3.721 20 10 GHCDLP CCCCCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC001150349082 1030500483 /nfs/dbraw/zinc/50/04/83/1030500483.db2.gz WBYSLYDJGQWJNM-IBGZPJMESA-N 2 2 395.975 3.638 20 10 GHCDLP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC001150349082 1030500487 /nfs/dbraw/zinc/50/04/87/1030500487.db2.gz WBYSLYDJGQWJNM-IBGZPJMESA-N 2 2 395.975 3.638 20 10 GHCDLP CCCCCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150349082 1030500496 /nfs/dbraw/zinc/50/04/96/1030500496.db2.gz WBYSLYDJGQWJNM-IBGZPJMESA-N 2 2 395.975 3.638 20 10 GHCDLP CCCCCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150349082 1030500510 /nfs/dbraw/zinc/50/05/10/1030500510.db2.gz WBYSLYDJGQWJNM-IBGZPJMESA-N 2 2 395.975 3.638 20 10 GHCDLP C[C@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@@H]1C[NH3+] ZINC001206024070 1033691886 /nfs/dbraw/zinc/69/18/86/1033691886.db2.gz HEZYCBZCQCMKQO-WDEREUQCSA-N 2 2 395.263 3.980 20 10 GHCDLP C[C@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@@H]1C[NH3+] ZINC001206024070 1033691890 /nfs/dbraw/zinc/69/18/90/1033691890.db2.gz HEZYCBZCQCMKQO-WDEREUQCSA-N 2 2 395.263 3.980 20 10 GHCDLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)C1 ZINC001208614126 1034955623 /nfs/dbraw/zinc/95/56/23/1034955623.db2.gz KBBMWZBBJAFNMU-LJQANCHMSA-N 2 2 390.531 3.959 20 10 GHCDLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)C1 ZINC001208614126 1034955625 /nfs/dbraw/zinc/95/56/25/1034955625.db2.gz KBBMWZBBJAFNMU-LJQANCHMSA-N 2 2 390.531 3.959 20 10 GHCDLP Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1 ZINC001247868279 1038437787 /nfs/dbraw/zinc/43/77/87/1038437787.db2.gz OGMDIWRVCWVHLR-LJQANCHMSA-N 2 2 377.492 3.691 20 10 GHCDLP Cc1nc(C(C)(C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)sc1C ZINC001251983394 1038793009 /nfs/dbraw/zinc/79/30/09/1038793009.db2.gz RZQCJKPZPQCJMR-UHFFFAOYSA-N 2 2 376.545 3.676 20 10 GHCDLP COc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(O)c1Cl ZINC001235385269 1040903848 /nfs/dbraw/zinc/90/38/48/1040903848.db2.gz UNLSIXZGKQIVPC-GCJKJVERSA-N 2 2 386.923 3.807 20 10 GHCDLP COc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(O)c1Cl ZINC001235385269 1040903854 /nfs/dbraw/zinc/90/38/54/1040903854.db2.gz UNLSIXZGKQIVPC-GCJKJVERSA-N 2 2 386.923 3.807 20 10 GHCDLP CC[NH+](CC)CC[C@H](C)[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001255968863 1041447612 /nfs/dbraw/zinc/44/76/12/1041447612.db2.gz LITRFERUUNVJEP-NRFANRHFSA-N 2 2 396.579 3.903 20 10 GHCDLP CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237092589 1042032686 /nfs/dbraw/zinc/03/26/86/1042032686.db2.gz IJKRQJQJIXLPKG-SFHVURJKSA-N 2 2 380.374 3.821 20 10 GHCDLP CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237092589 1042032691 /nfs/dbraw/zinc/03/26/91/1042032691.db2.gz IJKRQJQJIXLPKG-SFHVURJKSA-N 2 2 380.374 3.821 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC4CCC3CC4)cc2Br)CC1 ZINC001237100401 1042035896 /nfs/dbraw/zinc/03/58/96/1042035896.db2.gz VTBGCPNEIMNGPI-UHFFFAOYSA-N 2 2 378.358 3.575 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC4CCC3CC4)cc2Br)CC1 ZINC001237100401 1042035903 /nfs/dbraw/zinc/03/59/03/1042035903.db2.gz VTBGCPNEIMNGPI-UHFFFAOYSA-N 2 2 378.358 3.575 20 10 GHCDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)c1 ZINC001237651007 1042304533 /nfs/dbraw/zinc/30/45/33/1042304533.db2.gz YAPBYNFNUTYVGD-UHFFFAOYSA-N 2 2 393.462 3.924 20 10 GHCDLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)cc(F)c3O)C2)ccn1 ZINC001308876689 1050134922 /nfs/dbraw/zinc/13/49/22/1050134922.db2.gz NRWPQTVCYIHTDK-LJQANCHMSA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)cc(F)c3O)C2)ccn1 ZINC001308876689 1050134925 /nfs/dbraw/zinc/13/49/25/1050134925.db2.gz NRWPQTVCYIHTDK-LJQANCHMSA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C2)ccn1 ZINC001308876689 1050134929 /nfs/dbraw/zinc/13/49/29/1050134929.db2.gz NRWPQTVCYIHTDK-LJQANCHMSA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)ccn1 ZINC001308876689 1050134934 /nfs/dbraw/zinc/13/49/34/1050134934.db2.gz NRWPQTVCYIHTDK-LJQANCHMSA-N 2 2 391.462 3.559 20 10 GHCDLP CN(C)c1cc(F)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001308944234 1050204163 /nfs/dbraw/zinc/20/41/63/1050204163.db2.gz IKGXJSDWKYYHTJ-QUCCMNQESA-N 2 2 385.502 3.985 20 10 GHCDLP CN(C)c1cc(F)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001308944234 1050204175 /nfs/dbraw/zinc/20/41/75/1050204175.db2.gz IKGXJSDWKYYHTJ-QUCCMNQESA-N 2 2 385.502 3.985 20 10 GHCDLP CN(C)c1cc(F)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001308944234 1050204187 /nfs/dbraw/zinc/20/41/87/1050204187.db2.gz IKGXJSDWKYYHTJ-QUCCMNQESA-N 2 2 385.502 3.985 20 10 GHCDLP CN(C)c1cc(F)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001308944234 1050204193 /nfs/dbraw/zinc/20/41/93/1050204193.db2.gz IKGXJSDWKYYHTJ-QUCCMNQESA-N 2 2 385.502 3.985 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccco3)cc2F)CC1 ZINC001334031936 1051888937 /nfs/dbraw/zinc/88/89/37/1051888937.db2.gz OIXNHNJOXALACZ-JOCHJYFZSA-N 2 2 399.510 3.524 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccco3)cc2F)CC1 ZINC001334031936 1051888944 /nfs/dbraw/zinc/88/89/44/1051888944.db2.gz OIXNHNJOXALACZ-JOCHJYFZSA-N 2 2 399.510 3.524 20 10 GHCDLP Cc1cc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001319925208 1055544789 /nfs/dbraw/zinc/54/47/89/1055544789.db2.gz QXMZYHRYGDHGBL-UHFFFAOYSA-N 2 2 379.552 3.831 20 10 GHCDLP COC(=O)C1(C)CCC([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC1 ZINC001168762546 859159877 /nfs/dbraw/zinc/15/98/77/859159877.db2.gz SUQYTWSFVNJWES-UAPIADLTSA-N 2 2 398.503 3.550 20 10 GHCDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766011591 861011105 /nfs/dbraw/zinc/01/11/05/861011105.db2.gz NPWIAFNWQRLKLJ-DENIHFKCSA-N 2 2 397.538 3.978 20 10 GHCDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766011591 861011118 /nfs/dbraw/zinc/01/11/18/861011118.db2.gz NPWIAFNWQRLKLJ-DENIHFKCSA-N 2 2 397.538 3.978 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(F)c(F)c3F)cc2F)CC1 ZINC000850125973 876685413 /nfs/dbraw/zinc/68/54/13/876685413.db2.gz KXVILCKCDZQYPK-UHFFFAOYSA-N 2 2 381.417 3.675 20 10 GHCDLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000918701014 884189391 /nfs/dbraw/zinc/18/93/91/884189391.db2.gz RROGFRJLKJSUSU-UHFFFAOYSA-N 2 2 396.579 3.501 20 10 GHCDLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000918701014 884189402 /nfs/dbraw/zinc/18/94/02/884189402.db2.gz RROGFRJLKJSUSU-UHFFFAOYSA-N 2 2 396.579 3.501 20 10 GHCDLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(C)cc1O ZINC000794801807 888072475 /nfs/dbraw/zinc/07/24/75/888072475.db2.gz BNHQOKQXTTXTLQ-OAQYLSRUSA-N 2 2 384.520 3.653 20 10 GHCDLP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729683829 888527211 /nfs/dbraw/zinc/52/72/11/888527211.db2.gz BYDCLTPLBOZXMB-ZEQRLZLVSA-N 2 2 379.548 3.666 20 10 GHCDLP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729683829 888527221 /nfs/dbraw/zinc/52/72/21/888527221.db2.gz BYDCLTPLBOZXMB-ZEQRLZLVSA-N 2 2 379.548 3.666 20 10 GHCDLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877033189 893449511 /nfs/dbraw/zinc/44/95/11/893449511.db2.gz YVFSKPMUGPKYFK-IBGZPJMESA-N 2 2 381.564 3.867 20 10 GHCDLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Br)ccc1O ZINC000817954285 895976679 /nfs/dbraw/zinc/97/66/79/895976679.db2.gz YCYBPQFYOXAIJA-MRXNPFEDSA-N 2 2 391.313 3.523 20 10 GHCDLP CCC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)c1ccccn1 ZINC000158514648 901649345 /nfs/dbraw/zinc/64/93/45/901649345.db2.gz GXLRZEIFNOJLLH-JOCHJYFZSA-N 2 2 382.552 3.733 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccc4ccoc43)CC2)cc1 ZINC001177136807 908420678 /nfs/dbraw/zinc/42/06/78/908420678.db2.gz XHGPCMNDTXEFIS-UHFFFAOYSA-N 2 2 379.504 3.743 20 10 GHCDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000827662247 925914934 /nfs/dbraw/zinc/91/49/34/925914934.db2.gz PHBLISBPJJVFBK-NFBKMPQASA-N 2 2 393.575 3.648 20 10 GHCDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000827662247 925914943 /nfs/dbraw/zinc/91/49/43/925914943.db2.gz PHBLISBPJJVFBK-NFBKMPQASA-N 2 2 393.575 3.648 20 10 GHCDLP COC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cccc(Cl)c1 ZINC001117597479 933961551 /nfs/dbraw/zinc/96/15/51/933961551.db2.gz JYWJVLHYCWSZSK-FQEVSTJZSA-N 2 2 391.918 3.708 20 10 GHCDLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc(Cl)cc3O)CC[C@@H]21 ZINC001140467140 1021763280 /nfs/dbraw/zinc/76/32/80/1021763280.db2.gz MTEWMNIARSRENM-HOJAQTOUSA-N 2 2 388.943 3.616 20 10 GHCDLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc(Cl)cc3O)CC[C@@H]21 ZINC001140467140 1021763295 /nfs/dbraw/zinc/76/32/95/1021763295.db2.gz MTEWMNIARSRENM-HOJAQTOUSA-N 2 2 388.943 3.616 20 10 GHCDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)CC[C@@H]21 ZINC001140467140 1021763319 /nfs/dbraw/zinc/76/33/19/1021763319.db2.gz MTEWMNIARSRENM-HOJAQTOUSA-N 2 2 388.943 3.616 20 10 GHCDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)CC[C@@H]21 ZINC001140467140 1021763339 /nfs/dbraw/zinc/76/33/39/1021763339.db2.gz MTEWMNIARSRENM-HOJAQTOUSA-N 2 2 388.943 3.616 20 10 GHCDLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001140806737 1022581336 /nfs/dbraw/zinc/58/13/36/1022581336.db2.gz PPORRTLQGBXUEI-UHFFFAOYSA-N 2 2 399.498 3.859 20 10 GHCDLP COc1ccc(O)c([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000756431564 1023645745 /nfs/dbraw/zinc/64/57/45/1023645745.db2.gz NOFJRABBKQERTB-FQEVSTJZSA-N 2 2 397.563 3.649 20 10 GHCDLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(N5CCCCC5)cc4)C[C@H]3C2)nc1 ZINC001138217128 1024386917 /nfs/dbraw/zinc/38/69/17/1024386917.db2.gz XSDAIJWOQNCAKI-SZPZYZBQSA-N 2 2 376.548 3.636 20 10 GHCDLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(N5CCCCC5)cc4)C[C@H]3C2)nc1 ZINC001138217128 1024386945 /nfs/dbraw/zinc/38/69/45/1024386945.db2.gz XSDAIJWOQNCAKI-SZPZYZBQSA-N 2 2 376.548 3.636 20 10 GHCDLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(N5CCCCC5)cc4)C[C@H]3C2)nc1 ZINC001138217128 1024386964 /nfs/dbraw/zinc/38/69/64/1024386964.db2.gz XSDAIJWOQNCAKI-SZPZYZBQSA-N 2 2 376.548 3.636 20 10 GHCDLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(N5CCCCC5)cc4)C[C@H]3C2)nc1 ZINC001138217128 1024386984 /nfs/dbraw/zinc/38/69/84/1024386984.db2.gz XSDAIJWOQNCAKI-SZPZYZBQSA-N 2 2 376.548 3.636 20 10 GHCDLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001461586993 1069625283 /nfs/dbraw/zinc/62/52/83/1069625283.db2.gz SZFNXQAYAUYYCP-YLJYHZDGSA-N 2 2 392.902 3.811 20 10 GHCDLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001461586993 1069625285 /nfs/dbraw/zinc/62/52/85/1069625285.db2.gz SZFNXQAYAUYYCP-YLJYHZDGSA-N 2 2 392.902 3.811 20 10 GHCDLP Cc1cc(Br)c(O)c(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001207844918 1034619911 /nfs/dbraw/zinc/61/99/11/1034619911.db2.gz STALWARNGMTZEH-KDURUIRLSA-N 2 2 379.342 3.771 20 10 GHCDLP Cc1cc(Br)c(O)c(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001207844918 1034619915 /nfs/dbraw/zinc/61/99/15/1034619915.db2.gz STALWARNGMTZEH-KDURUIRLSA-N 2 2 379.342 3.771 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001207844918 1034619922 /nfs/dbraw/zinc/61/99/22/1034619922.db2.gz STALWARNGMTZEH-KDURUIRLSA-N 2 2 379.342 3.771 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001207844918 1034619929 /nfs/dbraw/zinc/61/99/29/1034619929.db2.gz STALWARNGMTZEH-KDURUIRLSA-N 2 2 379.342 3.771 20 10 GHCDLP COC(=O)c1c(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2n1C ZINC001232403926 1038187557 /nfs/dbraw/zinc/18/75/57/1038187557.db2.gz FTWFENXVQLJNAS-UHFFFAOYSA-N 2 2 388.471 3.783 20 10 GHCDLP COC(=O)c1c(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2n1C ZINC001232403926 1038187562 /nfs/dbraw/zinc/18/75/62/1038187562.db2.gz FTWFENXVQLJNAS-UHFFFAOYSA-N 2 2 388.471 3.783 20 10 GHCDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233417186 1039275069 /nfs/dbraw/zinc/27/50/69/1039275069.db2.gz LJIABPMCCKPNQD-PXNSSMCTSA-N 2 2 398.469 3.591 20 10 GHCDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233417186 1039275077 /nfs/dbraw/zinc/27/50/77/1039275077.db2.gz LJIABPMCCKPNQD-PXNSSMCTSA-N 2 2 398.469 3.591 20 10 GHCDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233417186 1039275085 /nfs/dbraw/zinc/27/50/85/1039275085.db2.gz LJIABPMCCKPNQD-PXNSSMCTSA-N 2 2 398.469 3.591 20 10 GHCDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233417186 1039275090 /nfs/dbraw/zinc/27/50/90/1039275090.db2.gz LJIABPMCCKPNQD-PXNSSMCTSA-N 2 2 398.469 3.591 20 10 GHCDLP Cc1ccc(F)cc1C[N@H+](Cc1cc(Cl)c(O)cc1O)C1CC[NH2+]CC1 ZINC001236510208 1041746512 /nfs/dbraw/zinc/74/65/12/1041746512.db2.gz UBJJPEBNTBZBDS-UHFFFAOYSA-N 2 2 378.875 3.953 20 10 GHCDLP Cc1ccc(F)cc1C[N@@H+](Cc1cc(Cl)c(O)cc1O)C1CC[NH2+]CC1 ZINC001236510208 1041746516 /nfs/dbraw/zinc/74/65/16/1041746516.db2.gz UBJJPEBNTBZBDS-UHFFFAOYSA-N 2 2 378.875 3.953 20 10 GHCDLP CC(C)c1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)c(O)c1 ZINC001237049658 1042009268 /nfs/dbraw/zinc/00/92/68/1042009268.db2.gz ZRKQGIRQWQMDIY-UHFFFAOYSA-N 2 2 382.552 3.880 20 10 GHCDLP CC(C)c1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)c(O)c1 ZINC001237049658 1042009276 /nfs/dbraw/zinc/00/92/76/1042009276.db2.gz ZRKQGIRQWQMDIY-UHFFFAOYSA-N 2 2 382.552 3.880 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CCC(OC(C)C)CC3)CC2)cc1 ZINC001257870366 1044232212 /nfs/dbraw/zinc/23/22/12/1044232212.db2.gz LVLCACCMGXKHOZ-UHFFFAOYSA-N 2 2 389.584 3.533 20 10 GHCDLP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(Cl)cc(F)c3O)CC2)oc1C ZINC001200095150 1065201744 /nfs/dbraw/zinc/20/17/44/1065201744.db2.gz INBNGPQYPUOKCL-UHFFFAOYSA-N 2 2 381.879 3.791 20 10 GHCDLP CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NCc1ccc(N)[nH+]c1C)N=[N+]=[N-] ZINC001167785159 842357118 /nfs/dbraw/zinc/35/71/18/842357118.db2.gz KCSWFLMQKHFRRZ-SXGWCWSVSA-N 2 2 381.440 3.810 20 10 GHCDLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000185221106 865766720 /nfs/dbraw/zinc/76/67/20/865766720.db2.gz FOXWQZCNVBBJGR-DEOSSOPVSA-N 2 2 379.548 3.523 20 10 GHCDLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000185221106 865766730 /nfs/dbraw/zinc/76/67/30/865766730.db2.gz FOXWQZCNVBBJGR-DEOSSOPVSA-N 2 2 379.548 3.523 20 10 GHCDLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000185360532 866015692 /nfs/dbraw/zinc/01/56/92/866015692.db2.gz HKUREXHISGACRQ-GJZGRUSLSA-N 2 2 375.463 3.834 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000767345662 872438434 /nfs/dbraw/zinc/43/84/34/872438434.db2.gz CAVAWEBBCDHGQO-QPPBQGQZSA-N 2 2 379.548 3.601 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc(C)nc3C)CC2)cc1 ZINC000771386594 875235047 /nfs/dbraw/zinc/23/50/47/875235047.db2.gz YTFCFGJXQAKLKJ-IBGZPJMESA-N 2 2 382.552 3.570 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cc(Cl)cs3)CC2)cc1 ZINC000785414209 878596442 /nfs/dbraw/zinc/59/64/42/878596442.db2.gz VAIBAGJBMDMJJP-UHFFFAOYSA-N 2 2 379.957 3.712 20 10 GHCDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142520278 884475237 /nfs/dbraw/zinc/47/52/37/884475237.db2.gz FHFNMNULRZBDAX-FQELHTAISA-N 2 2 387.474 3.798 20 10 GHCDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142520278 884475250 /nfs/dbraw/zinc/47/52/50/884475250.db2.gz FHFNMNULRZBDAX-FQELHTAISA-N 2 2 387.474 3.798 20 10 GHCDLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142520278 884475263 /nfs/dbraw/zinc/47/52/63/884475263.db2.gz FHFNMNULRZBDAX-FQELHTAISA-N 2 2 387.474 3.798 20 10 GHCDLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142520278 884475269 /nfs/dbraw/zinc/47/52/69/884475269.db2.gz FHFNMNULRZBDAX-FQELHTAISA-N 2 2 387.474 3.798 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(O)c3Cl)cc2F)CC1 ZINC000815123976 893457909 /nfs/dbraw/zinc/45/79/09/893457909.db2.gz MGYGCYHCPZLYML-UHFFFAOYSA-N 2 2 377.891 3.616 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000877064710 893464723 /nfs/dbraw/zinc/46/47/23/893464723.db2.gz VNJNYBLDYNLPOR-GOSISDBHSA-N 2 2 376.504 3.684 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000817940019 895971041 /nfs/dbraw/zinc/97/10/41/895971041.db2.gz DUVFUIWWFNBYSG-FCHUYYIVSA-N 2 2 375.520 3.605 20 10 GHCDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942367 895971090 /nfs/dbraw/zinc/97/10/90/895971090.db2.gz OLKILWFLDYWTGU-SJLPKXTDSA-N 2 2 388.537 3.821 20 10 GHCDLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883387223 897550561 /nfs/dbraw/zinc/55/05/61/897550561.db2.gz UFAOXDLHWHZDBQ-GCJKJVERSA-N 2 2 394.494 3.951 20 10 GHCDLP COc1c(O)c(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775034963 914686128 /nfs/dbraw/zinc/68/61/28/914686128.db2.gz VLOHPJVICFSUIX-HZPDHXFCSA-N 2 2 399.491 3.555 20 10 GHCDLP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001173646818 906633183 /nfs/dbraw/zinc/63/31/83/906633183.db2.gz AKELOLPFXRJIEB-QKCPIRFBSA-N 2 2 398.503 3.550 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc(CSC)s3)cc2F)CC1 ZINC000293637415 916305766 /nfs/dbraw/zinc/30/57/66/916305766.db2.gz RMBZWTSOXGODSN-UHFFFAOYSA-N 2 2 394.585 3.577 20 10 GHCDLP CC[C@@](C)([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1nc(C)cs1 ZINC001116488260 933587541 /nfs/dbraw/zinc/58/75/41/933587541.db2.gz PWWYWTXCWMJZHB-HXUWFJFHSA-N 2 2 376.545 3.757 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(F)cc(F)c3O)cc2F)CC1 ZINC000756554670 1023712482 /nfs/dbraw/zinc/71/24/82/1023712482.db2.gz PDLYKRHOPNXSFM-CQSZACIVSA-N 2 2 393.453 3.802 20 10 GHCDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838899631 1025426512 /nfs/dbraw/zinc/42/65/12/1025426512.db2.gz IWGAPAAEIJRKDM-HNNXBMFYSA-N 2 2 377.330 3.814 20 10 GHCDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001461431623 1069547106 /nfs/dbraw/zinc/54/71/06/1069547106.db2.gz MBGOTJOTDPNAFU-AGKZXYDUSA-N 2 2 379.548 3.647 20 10 GHCDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001461431623 1069547111 /nfs/dbraw/zinc/54/71/11/1069547111.db2.gz MBGOTJOTDPNAFU-AGKZXYDUSA-N 2 2 379.548 3.647 20 10 GHCDLP CC[NH+]1CCN(c2ccc(O[C@H]3CCCN(c4ccc(C)c[nH+]4)C3)cc2)CC1 ZINC001234661168 1040195255 /nfs/dbraw/zinc/19/52/55/1040195255.db2.gz QQBRBVALKVPBPM-QFIPXVFZSA-N 2 2 380.536 3.580 20 10 GHCDLP COc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(O)c1Cl ZINC001235385275 1040904954 /nfs/dbraw/zinc/90/49/54/1040904954.db2.gz UNLSIXZGKQIVPC-XMSQKQJNSA-N 2 2 386.923 3.807 20 10 GHCDLP COc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(O)c1Cl ZINC001235385275 1040904956 /nfs/dbraw/zinc/90/49/56/1040904956.db2.gz UNLSIXZGKQIVPC-XMSQKQJNSA-N 2 2 386.923 3.807 20 10 GHCDLP Oc1c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001236320845 1041669974 /nfs/dbraw/zinc/66/99/74/1041669974.db2.gz KORBRCRFLOSCPR-PHIMTYICSA-N 2 2 393.247 3.605 20 10 GHCDLP Oc1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001236320845 1041669983 /nfs/dbraw/zinc/66/99/83/1041669983.db2.gz KORBRCRFLOSCPR-PHIMTYICSA-N 2 2 393.247 3.605 20 10 GHCDLP Oc1ccc(F)c(F)c1C[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001279487662 1047823164 /nfs/dbraw/zinc/82/31/64/1047823164.db2.gz CDRGDKQKUBYGPE-UHFFFAOYSA-N 2 2 378.385 3.911 20 10 GHCDLP CCOC(=O)C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1O ZINC001460281429 1068905343 /nfs/dbraw/zinc/90/53/43/1068905343.db2.gz YDXBKGVQTUHZDL-UHFFFAOYSA-N 2 2 396.531 3.943 20 10 GHCDLP CCOC(=O)C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1O ZINC001460281429 1068905345 /nfs/dbraw/zinc/90/53/45/1068905345.db2.gz YDXBKGVQTUHZDL-UHFFFAOYSA-N 2 2 396.531 3.943 20 10 GHCDLP Oc1ccc(Br)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000731448982 861623657 /nfs/dbraw/zinc/62/36/57/861623657.db2.gz HFHKPAOUCPDHEM-UHFFFAOYSA-N 2 2 389.337 3.951 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccccc3OC)CC2)cc1 ZINC000764677221 859564576 /nfs/dbraw/zinc/56/45/76/859564576.db2.gz XIJPFYZLORIXDH-LJQANCHMSA-N 2 2 383.536 3.567 20 10 GHCDLP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC000740899036 866087726 /nfs/dbraw/zinc/08/77/26/866087726.db2.gz NDUQZIJSESBXSC-GMAHTHKFSA-N 2 2 399.554 3.645 20 10 GHCDLP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC000740899036 866087740 /nfs/dbraw/zinc/08/77/40/866087740.db2.gz NDUQZIJSESBXSC-GMAHTHKFSA-N 2 2 399.554 3.645 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151540266 870337185 /nfs/dbraw/zinc/33/71/85/870337185.db2.gz OOFXXUMYMLWTPO-QGZVFWFLSA-N 2 2 394.494 3.823 20 10 GHCDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(Cl)c1[O-] ZINC000775727624 873240954 /nfs/dbraw/zinc/24/09/54/873240954.db2.gz VLHMCVAYUIEJPY-UHFFFAOYSA-N 2 2 379.976 3.674 20 10 GHCDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(Cl)c1[O-] ZINC000775727624 873240965 /nfs/dbraw/zinc/24/09/65/873240965.db2.gz VLHMCVAYUIEJPY-UHFFFAOYSA-N 2 2 379.976 3.674 20 10 GHCDLP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850558172 877025553 /nfs/dbraw/zinc/02/55/53/877025553.db2.gz UYHQNMNNSYUOKD-GGAORHGYSA-N 2 2 380.532 3.909 20 10 GHCDLP C[NH+](C)C1CCN(c2ccc(NCc3c(O)ccc(Cl)c3F)[nH+]c2)CC1 ZINC000790240837 879541576 /nfs/dbraw/zinc/54/15/76/879541576.db2.gz JUYFZKYYZFSIEU-UHFFFAOYSA-N 2 2 378.879 3.722 20 10 GHCDLP Cc1cc(Br)c(O)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000809645745 887651668 /nfs/dbraw/zinc/65/16/68/887651668.db2.gz ZHXIVYUPTGFUNB-UHFFFAOYSA-N 2 2 386.293 3.998 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151583316 904161942 /nfs/dbraw/zinc/16/19/42/904161942.db2.gz PMHXQXIZTLMDKX-LJQANCHMSA-N 2 2 390.531 3.932 20 10 GHCDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CN1Cc1ccccc1 ZINC001171733099 904960983 /nfs/dbraw/zinc/96/09/83/904960983.db2.gz IIXOFNKPTUAZOX-AUSIDOKSSA-N 2 2 379.548 3.609 20 10 GHCDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000191895502 907310270 /nfs/dbraw/zinc/31/02/70/907310270.db2.gz XKYCQLMPLZLUJD-UHFFFAOYSA-N 2 2 376.504 3.649 20 10 GHCDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000191895502 907310289 /nfs/dbraw/zinc/31/02/89/907310289.db2.gz XKYCQLMPLZLUJD-UHFFFAOYSA-N 2 2 376.504 3.649 20 10 GHCDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000827662248 925915291 /nfs/dbraw/zinc/91/52/91/925915291.db2.gz PHBLISBPJJVFBK-NZQKXSOJSA-N 2 2 393.575 3.648 20 10 GHCDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000827662248 925915295 /nfs/dbraw/zinc/91/52/95/925915295.db2.gz PHBLISBPJJVFBK-NZQKXSOJSA-N 2 2 393.575 3.648 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000756596984 1023728687 /nfs/dbraw/zinc/72/86/87/1023728687.db2.gz IMPHQEKOFJYABC-UVFQYZLESA-N 2 2 388.533 3.974 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000756596984 1023728694 /nfs/dbraw/zinc/72/86/94/1023728694.db2.gz IMPHQEKOFJYABC-UVFQYZLESA-N 2 2 388.533 3.974 20 10 GHCDLP Oc1ccc(Br)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203645801 1027503216 /nfs/dbraw/zinc/50/32/16/1027503216.db2.gz SSYSLCHATNGQQB-HDICACEKSA-N 2 2 387.321 3.719 20 10 GHCDLP Oc1ccc(Br)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203645801 1027503231 /nfs/dbraw/zinc/50/32/31/1027503231.db2.gz SSYSLCHATNGQQB-HDICACEKSA-N 2 2 387.321 3.719 20 10 GHCDLP Oc1ccc(Br)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203645801 1027503248 /nfs/dbraw/zinc/50/32/48/1027503248.db2.gz SSYSLCHATNGQQB-HDICACEKSA-N 2 2 387.321 3.719 20 10 GHCDLP Oc1ccc(Br)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203645801 1027503255 /nfs/dbraw/zinc/50/32/55/1027503255.db2.gz SSYSLCHATNGQQB-HDICACEKSA-N 2 2 387.321 3.719 20 10 GHCDLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045559 1028066968 /nfs/dbraw/zinc/06/69/68/1028066968.db2.gz MSPKNIARBDJRGB-OAQYLSRUSA-N 2 2 399.489 3.623 20 10 GHCDLP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841045100 1028067138 /nfs/dbraw/zinc/06/71/38/1028067138.db2.gz HSIIYRMDJZKYRC-JTSKRJEESA-N 2 2 382.552 3.883 20 10 GHCDLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000841045688 1028067857 /nfs/dbraw/zinc/06/78/57/1028067857.db2.gz OGLXRQCVNSWQNU-BEFAXECRSA-N 2 2 388.943 3.721 20 10 GHCDLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)C1 ZINC001231866633 1034953727 /nfs/dbraw/zinc/95/37/27/1034953727.db2.gz BDKIRNVCBDFBOI-MRXNPFEDSA-N 2 2 394.943 3.594 20 10 GHCDLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)C1 ZINC001231866633 1034953734 /nfs/dbraw/zinc/95/37/34/1034953734.db2.gz BDKIRNVCBDFBOI-MRXNPFEDSA-N 2 2 394.943 3.594 20 10 GHCDLP Cc1cc(N2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)c2ccccc2[nH+]1 ZINC001232260494 1037981959 /nfs/dbraw/zinc/98/19/59/1037981959.db2.gz QXFOPINGKBLWRX-UHFFFAOYSA-N 2 2 383.879 3.930 20 10 GHCDLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233333251 1039130683 /nfs/dbraw/zinc/13/06/83/1039130683.db2.gz OYPNQTSFDDHTCR-HNNXBMFYSA-N 2 2 392.446 3.519 20 10 GHCDLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233333251 1039130689 /nfs/dbraw/zinc/13/06/89/1039130689.db2.gz OYPNQTSFDDHTCR-HNNXBMFYSA-N 2 2 392.446 3.519 20 10 GHCDLP COc1cc(N(C)C)ccc1C[N@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236521106 1041751609 /nfs/dbraw/zinc/75/16/09/1041751609.db2.gz HFNOXQRCZSDSRY-UHFFFAOYSA-N 2 2 385.527 3.963 20 10 GHCDLP COc1cc(N(C)C)ccc1C[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236521106 1041751619 /nfs/dbraw/zinc/75/16/19/1041751619.db2.gz HFNOXQRCZSDSRY-UHFFFAOYSA-N 2 2 385.527 3.963 20 10 GHCDLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4ccccc4cc3O)CC2)C1 ZINC001236831791 1041921323 /nfs/dbraw/zinc/92/13/23/1041921323.db2.gz ZTFCRUSDLGDDEM-HXUWFJFHSA-N 2 2 396.531 3.785 20 10 GHCDLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc4ccccc4cc3O)CC2)C1 ZINC001236831791 1041921326 /nfs/dbraw/zinc/92/13/26/1041921326.db2.gz ZTFCRUSDLGDDEM-HXUWFJFHSA-N 2 2 396.531 3.785 20 10 GHCDLP Oc1ccc(F)c(Cl)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237120667 1042048265 /nfs/dbraw/zinc/04/82/65/1042048265.db2.gz FFKKFIKOVHMSPP-CVEARBPZSA-N 2 2 375.875 3.534 20 10 GHCDLP Oc1ccc(F)c(Cl)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237120667 1042048281 /nfs/dbraw/zinc/04/82/81/1042048281.db2.gz FFKKFIKOVHMSPP-CVEARBPZSA-N 2 2 375.875 3.534 20 10 GHCDLP Oc1ccc(F)c(Cl)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237120667 1042048289 /nfs/dbraw/zinc/04/82/89/1042048289.db2.gz FFKKFIKOVHMSPP-CVEARBPZSA-N 2 2 375.875 3.534 20 10 GHCDLP Oc1ccc(F)c(Cl)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237120667 1042048297 /nfs/dbraw/zinc/04/82/97/1042048297.db2.gz FFKKFIKOVHMSPP-CVEARBPZSA-N 2 2 375.875 3.534 20 10 GHCDLP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1Br ZINC001237686755 1042327393 /nfs/dbraw/zinc/32/73/93/1042327393.db2.gz XNZIHBUOBFTNRW-MRXNPFEDSA-N 2 2 377.282 3.902 20 10 GHCDLP Cc1cc(O)c(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1Br ZINC001237686755 1042327398 /nfs/dbraw/zinc/32/73/98/1042327398.db2.gz XNZIHBUOBFTNRW-MRXNPFEDSA-N 2 2 377.282 3.902 20 10 GHCDLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)cc(C(F)(F)F)c1O)CC2 ZINC001237792972 1042372765 /nfs/dbraw/zinc/37/27/65/1042372765.db2.gz VKFWDJHZROLSJG-UHFFFAOYSA-N 2 2 393.247 3.701 20 10 GHCDLP Oc1ccccc1C[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258138028 1044424012 /nfs/dbraw/zinc/42/40/12/1044424012.db2.gz PPQZBANQHNLURK-UHFFFAOYSA-N 3 2 393.575 3.653 20 10 GHCDLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]Cc3ccc(N4CCCC4)cc3)C2)cc1 ZINC001321106693 1056095687 /nfs/dbraw/zinc/09/56/87/1056095687.db2.gz XSMFHRHMAVPHQZ-XMMPIXPASA-N 2 2 379.548 3.668 20 10 GHCDLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]Cc3ccc(N4CCCC4)cc3)C2)cc1 ZINC001321106693 1056095700 /nfs/dbraw/zinc/09/57/00/1056095700.db2.gz XSMFHRHMAVPHQZ-XMMPIXPASA-N 2 2 379.548 3.668 20 10 GHCDLP COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1O ZINC000848517567 1057144679 /nfs/dbraw/zinc/14/46/79/1057144679.db2.gz FUCIQJTZUZDUCC-GFCCVEGCSA-N 2 2 394.313 3.589 20 10 GHCDLP C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001200253322 1065744263 /nfs/dbraw/zinc/74/42/63/1065744263.db2.gz AADAZGXUMQPXKP-CYBMUJFWSA-N 2 2 395.881 3.926 20 10 GHCDLP COc1ccc(N2CCC([NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC000151332227 853317999 /nfs/dbraw/zinc/31/79/99/853317999.db2.gz HNVASXBVVJYAFC-UHFFFAOYSA-N 2 2 376.504 3.699 20 10 GHCDLP FC(F)(F)Oc1ccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168397979 855278016 /nfs/dbraw/zinc/27/80/16/855278016.db2.gz RHKOSBVJPZTLLE-UHFFFAOYSA-N 2 2 383.458 3.582 20 10 GHCDLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)c(F)cc3O)C2)ccn1 ZINC000856548644 881363372 /nfs/dbraw/zinc/36/33/72/881363372.db2.gz LAQZAQXIXAJSDI-QGZVFWFLSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)c(F)cc3O)C2)ccn1 ZINC000856548644 881363388 /nfs/dbraw/zinc/36/33/88/881363388.db2.gz LAQZAQXIXAJSDI-QGZVFWFLSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)ccn1 ZINC000856548644 881363407 /nfs/dbraw/zinc/36/34/07/881363407.db2.gz LAQZAQXIXAJSDI-QGZVFWFLSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)ccn1 ZINC000856548644 881363427 /nfs/dbraw/zinc/36/34/27/881363427.db2.gz LAQZAQXIXAJSDI-QGZVFWFLSA-N 2 2 393.890 3.685 20 10 GHCDLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856560992 881447376 /nfs/dbraw/zinc/44/73/76/881447376.db2.gz RTQBFOQJXQDDGK-LJQANCHMSA-N 2 2 389.927 3.934 20 10 GHCDLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856560992 881447392 /nfs/dbraw/zinc/44/73/92/881447392.db2.gz RTQBFOQJXQDDGK-LJQANCHMSA-N 2 2 389.927 3.934 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856560992 881447400 /nfs/dbraw/zinc/44/74/00/881447400.db2.gz RTQBFOQJXQDDGK-LJQANCHMSA-N 2 2 389.927 3.934 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856560992 881447413 /nfs/dbraw/zinc/44/74/13/881447413.db2.gz RTQBFOQJXQDDGK-LJQANCHMSA-N 2 2 389.927 3.934 20 10 GHCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1O ZINC000184992177 865100039 /nfs/dbraw/zinc/10/00/39/865100039.db2.gz SOPCTQLMVZQALX-DYESRHJHSA-N 2 2 376.500 3.615 20 10 GHCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1O ZINC000184992177 865100045 /nfs/dbraw/zinc/10/00/45/865100045.db2.gz SOPCTQLMVZQALX-DYESRHJHSA-N 2 2 376.500 3.615 20 10 GHCDLP Oc1c(Br)cccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850363022 876851322 /nfs/dbraw/zinc/85/13/22/876851322.db2.gz YDWORCUPIFZGHB-UHFFFAOYSA-N 2 2 390.325 3.552 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3nc4ccccc4n3C)cc2F)CC1 ZINC000180103428 878493179 /nfs/dbraw/zinc/49/31/79/878493179.db2.gz LOAWJLIKTCABAC-KRWDZBQOSA-N 2 2 395.526 3.705 20 10 GHCDLP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216095 888293688 /nfs/dbraw/zinc/29/36/88/888293688.db2.gz QGGAUANTNANATK-SFHVURJKSA-N 2 2 387.490 3.725 20 10 GHCDLP COc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000916837884 890275085 /nfs/dbraw/zinc/27/50/85/890275085.db2.gz ZWYNKEROPGJJHT-UHFFFAOYSA-N 2 2 381.564 3.691 20 10 GHCDLP CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)c2)CC1 ZINC000123166388 890387648 /nfs/dbraw/zinc/38/76/48/890387648.db2.gz ZIQIHCKAMAFQHN-UHFFFAOYSA-N 2 2 389.503 3.655 20 10 GHCDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Br)ccc1O ZINC000817941038 895971008 /nfs/dbraw/zinc/97/10/08/895971008.db2.gz IKKSBEPEPCVHTE-MSOLQXFVSA-N 2 2 392.341 3.961 20 10 GHCDLP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001173646821 906632948 /nfs/dbraw/zinc/63/29/48/906632948.db2.gz AKELOLPFXRJIEB-WVZRZZCNSA-N 2 2 398.503 3.550 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CCC(C(F)F)CC3)CC2)cc1 ZINC000799715626 933098670 /nfs/dbraw/zinc/09/86/70/933098670.db2.gz HUNYGBVHEPZIGO-UHFFFAOYSA-N 2 2 381.511 3.621 20 10 GHCDLP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779225376 1020538665 /nfs/dbraw/zinc/53/86/65/1020538665.db2.gz RIWUCBDXFLNASL-RUZDIDTESA-N 2 2 393.575 3.746 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779225376 1020538672 /nfs/dbraw/zinc/53/86/72/1020538672.db2.gz RIWUCBDXFLNASL-RUZDIDTESA-N 2 2 393.575 3.746 20 10 GHCDLP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779225376 1020538677 /nfs/dbraw/zinc/53/86/77/1020538677.db2.gz RIWUCBDXFLNASL-RUZDIDTESA-N 2 2 393.575 3.746 20 10 GHCDLP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779225376 1020538681 /nfs/dbraw/zinc/53/86/81/1020538681.db2.gz RIWUCBDXFLNASL-RUZDIDTESA-N 2 2 393.575 3.746 20 10 GHCDLP COc1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000756385612 1023623928 /nfs/dbraw/zinc/62/39/28/1023623928.db2.gz UDCXRZDYNPCTMA-IBGZPJMESA-N 2 2 383.536 3.572 20 10 GHCDLP Cc1ccc(O)c([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000756430737 1023644854 /nfs/dbraw/zinc/64/48/54/1023644854.db2.gz KTEGLZIZNVBHEJ-NRFANRHFSA-N 2 2 381.564 3.949 20 10 GHCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139132270 1025944797 /nfs/dbraw/zinc/94/47/97/1025944797.db2.gz VDSHVWPDLANVKY-LJQANCHMSA-N 2 2 392.499 3.761 20 10 GHCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139132270 1025944802 /nfs/dbraw/zinc/94/48/02/1025944802.db2.gz VDSHVWPDLANVKY-LJQANCHMSA-N 2 2 392.499 3.761 20 10 GHCDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139132270 1025944808 /nfs/dbraw/zinc/94/48/08/1025944808.db2.gz VDSHVWPDLANVKY-LJQANCHMSA-N 2 2 392.499 3.761 20 10 GHCDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139132270 1025944812 /nfs/dbraw/zinc/94/48/12/1025944812.db2.gz VDSHVWPDLANVKY-LJQANCHMSA-N 2 2 392.499 3.761 20 10 GHCDLP OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC001203403098 1027314395 /nfs/dbraw/zinc/31/43/95/1027314395.db2.gz RGSVVSVCJWFERY-XMMPIXPASA-N 2 2 393.575 3.792 20 10 GHCDLP OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC001203403098 1027314411 /nfs/dbraw/zinc/31/44/11/1027314411.db2.gz RGSVVSVCJWFERY-XMMPIXPASA-N 2 2 393.575 3.792 20 10 GHCDLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233013572 1038769203 /nfs/dbraw/zinc/76/92/03/1038769203.db2.gz YZVUWLBXYLWEBJ-KBAYOESNSA-N 2 2 388.533 3.597 20 10 GHCDLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233013572 1038769208 /nfs/dbraw/zinc/76/92/08/1038769208.db2.gz YZVUWLBXYLWEBJ-KBAYOESNSA-N 2 2 388.533 3.597 20 10 GHCDLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233013572 1038769211 /nfs/dbraw/zinc/76/92/11/1038769211.db2.gz YZVUWLBXYLWEBJ-KBAYOESNSA-N 2 2 388.533 3.597 20 10 GHCDLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233013572 1038769215 /nfs/dbraw/zinc/76/92/15/1038769215.db2.gz YZVUWLBXYLWEBJ-KBAYOESNSA-N 2 2 388.533 3.597 20 10 GHCDLP COc1cc(N(C)C)ccc1C[N@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236510170 1041746798 /nfs/dbraw/zinc/74/67/98/1041746798.db2.gz SFSVHCMNVRWTQO-UHFFFAOYSA-N 2 2 385.527 3.963 20 10 GHCDLP COc1cc(N(C)C)ccc1C[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236510170 1041746805 /nfs/dbraw/zinc/74/68/05/1041746805.db2.gz SFSVHCMNVRWTQO-UHFFFAOYSA-N 2 2 385.527 3.963 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(Cl)c1 ZINC001236795700 1041900534 /nfs/dbraw/zinc/90/05/34/1041900534.db2.gz NOWLYFQTFLINRA-ZIAGYGMSSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC001256538152 1043484523 /nfs/dbraw/zinc/48/45/23/1043484523.db2.gz RGOVXXSGNBKMBY-OFNKIYASSA-N 2 2 379.548 3.870 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC001256538152 1043484539 /nfs/dbraw/zinc/48/45/39/1043484539.db2.gz RGOVXXSGNBKMBY-OFNKIYASSA-N 2 2 379.548 3.870 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccnc3OC3CCCC3)cc2F)CC1 ZINC001308199149 1049909583 /nfs/dbraw/zinc/90/95/83/1049909583.db2.gz NNTKKDDIQDSUSO-UHFFFAOYSA-N 2 2 398.526 3.584 20 10 GHCDLP Clc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1OCCn1cc[nH+]c1 ZINC001308235768 1049921737 /nfs/dbraw/zinc/92/17/37/1049921737.db2.gz LPHVIANZNPKUMP-UHFFFAOYSA-N 2 2 383.879 3.840 20 10 GHCDLP C[C@@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC001308301997 1049943225 /nfs/dbraw/zinc/94/32/25/1049943225.db2.gz OWYHHLINSVIEIE-FQEVSTJZSA-N 3 2 398.570 3.578 20 10 GHCDLP C[C@@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC001308301997 1049943228 /nfs/dbraw/zinc/94/32/28/1049943228.db2.gz OWYHHLINSVIEIE-FQEVSTJZSA-N 3 2 398.570 3.578 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](c2ccccc2)O1 ZINC001319701367 1055408785 /nfs/dbraw/zinc/40/87/85/1055408785.db2.gz VGLYUBSLBZFELA-JPYJTQIMSA-N 2 2 383.511 3.540 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](c2ccccc2)O1 ZINC001319701367 1055408788 /nfs/dbraw/zinc/40/87/88/1055408788.db2.gz VGLYUBSLBZFELA-JPYJTQIMSA-N 2 2 383.511 3.540 20 10 GHCDLP C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000778203061 893288915 /nfs/dbraw/zinc/28/89/15/893288915.db2.gz YWHRVOSUXPVAAK-XMMPIXPASA-N 2 2 379.548 3.668 20 10 GHCDLP C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000778203061 893288925 /nfs/dbraw/zinc/28/89/25/893288925.db2.gz YWHRVOSUXPVAAK-XMMPIXPASA-N 2 2 379.548 3.668 20 10 GHCDLP OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2)CC1 ZINC000877497988 893647616 /nfs/dbraw/zinc/64/76/16/893647616.db2.gz HOBNBHQJNGYMHD-HXUWFJFHSA-N 2 2 394.563 3.560 20 10 GHCDLP OC1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2)CC1 ZINC000877497988 893647621 /nfs/dbraw/zinc/64/76/21/893647621.db2.gz HOBNBHQJNGYMHD-HXUWFJFHSA-N 2 2 394.563 3.560 20 10 GHCDLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938839 895966627 /nfs/dbraw/zinc/96/66/27/895966627.db2.gz UJMXIXIMSFLUBF-AUUYWEPGSA-N 2 2 381.549 3.930 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccnc3Cl)cc2F)CC1 ZINC000155275221 898551051 /nfs/dbraw/zinc/55/10/51/898551051.db2.gz LLCQBKYZDKYXKV-OAHLLOKOSA-N 2 2 376.907 3.867 20 10 GHCDLP COc1c(O)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1[N+](=O)[O-] ZINC000365805461 921176061 /nfs/dbraw/zinc/17/60/61/921176061.db2.gz KPBDQCLBSOIYQO-CYBMUJFWSA-N 2 2 382.420 3.654 20 10 GHCDLP C[NH+]1CCN(c2ccc([N@@H+]3C(=N)C=CC(/N=N/c4ccccc4)=C3N)cc2)CC1 ZINC001174814003 907244724 /nfs/dbraw/zinc/24/47/24/907244724.db2.gz AMCPSVBZIMRDEF-ALNQNNHBSA-N 2 2 387.491 3.706 20 10 GHCDLP C[NH+]1CCN(c2ccc([N@H+]3C(=N)C=CC(/N=N/c4ccccc4)=C3N)cc2)CC1 ZINC001174814003 907244735 /nfs/dbraw/zinc/24/47/35/907244735.db2.gz AMCPSVBZIMRDEF-ALNQNNHBSA-N 2 2 387.491 3.706 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(SC)cc3)CC2)cc1 ZINC000726709204 926817283 /nfs/dbraw/zinc/81/72/83/926817283.db2.gz SHLHCPJMFUHXER-UHFFFAOYSA-N 2 2 385.577 3.719 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000798935635 932823103 /nfs/dbraw/zinc/82/31/03/932823103.db2.gz QEKFIEIOAJCEGH-GAJHUEQPSA-N 2 2 382.504 3.742 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798935635 932823107 /nfs/dbraw/zinc/82/31/07/932823107.db2.gz QEKFIEIOAJCEGH-GAJHUEQPSA-N 2 2 382.504 3.742 20 10 GHCDLP Oc1c(C[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236270099 1032593397 /nfs/dbraw/zinc/59/33/97/1032593397.db2.gz LHNXYEPKBCQDIH-QFIPXVFZSA-N 2 2 391.559 3.845 20 10 GHCDLP Oc1c(C[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236270099 1032593403 /nfs/dbraw/zinc/59/34/03/1032593403.db2.gz LHNXYEPKBCQDIH-QFIPXVFZSA-N 2 2 391.559 3.845 20 10 GHCDLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)CC1 ZINC001204328212 1032771993 /nfs/dbraw/zinc/77/19/93/1032771993.db2.gz RCNJERSCWDEKSC-UHFFFAOYSA-N 2 2 399.579 3.526 20 10 GHCDLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140338293 1021443462 /nfs/dbraw/zinc/44/34/62/1021443462.db2.gz DPRDCLSKBRWCFD-MRXNPFEDSA-N 2 2 390.911 3.894 20 10 GHCDLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140338293 1021443473 /nfs/dbraw/zinc/44/34/73/1021443473.db2.gz DPRDCLSKBRWCFD-MRXNPFEDSA-N 2 2 390.911 3.894 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cc(F)ccc3O)CC2)cc1 ZINC000834887558 1021617633 /nfs/dbraw/zinc/61/76/33/1021617633.db2.gz TZTGIQNMJRWRKY-HNNXBMFYSA-N 2 2 385.483 3.805 20 10 GHCDLP CCN(CC)c1ccc(C[N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(O)c1 ZINC001140853002 1022702908 /nfs/dbraw/zinc/70/29/08/1022702908.db2.gz ISKKOHQTYHZYFL-UHFFFAOYSA-N 2 2 399.583 3.636 20 10 GHCDLP CCN(CC)c1ccc(C[N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(O)c1 ZINC001140853002 1022702923 /nfs/dbraw/zinc/70/29/23/1022702923.db2.gz ISKKOHQTYHZYFL-UHFFFAOYSA-N 2 2 399.583 3.636 20 10 GHCDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923761 1022899727 /nfs/dbraw/zinc/89/97/27/1022899727.db2.gz FWWVRETZNHXJEE-KNQAVFIVSA-N 2 2 391.987 3.586 20 10 GHCDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923761 1022899740 /nfs/dbraw/zinc/89/97/40/1022899740.db2.gz FWWVRETZNHXJEE-KNQAVFIVSA-N 2 2 391.987 3.586 20 10 GHCDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923761 1022899755 /nfs/dbraw/zinc/89/97/55/1022899755.db2.gz FWWVRETZNHXJEE-KNQAVFIVSA-N 2 2 391.987 3.586 20 10 GHCDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923761 1022899771 /nfs/dbraw/zinc/89/97/71/1022899771.db2.gz FWWVRETZNHXJEE-KNQAVFIVSA-N 2 2 391.987 3.586 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc(C)cc3O)CC2)cc1 ZINC000756361436 1023606548 /nfs/dbraw/zinc/60/65/48/1023606548.db2.gz ZGDHWACRCANXOP-IBGZPJMESA-N 2 2 383.536 3.572 20 10 GHCDLP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)ccc1N(C)C ZINC001139670354 1026524887 /nfs/dbraw/zinc/52/48/87/1026524887.db2.gz LAOOOCPLRLNNCC-UHFFFAOYSA-N 2 2 383.536 3.521 20 10 GHCDLP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)ccc1N(C)C ZINC001139670354 1026524898 /nfs/dbraw/zinc/52/48/98/1026524898.db2.gz LAOOOCPLRLNNCC-UHFFFAOYSA-N 2 2 383.536 3.521 20 10 GHCDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1Cn1cccn1 ZINC001461224714 1069450879 /nfs/dbraw/zinc/45/08/79/1069450879.db2.gz URNMVHFYGSCUHB-HSZRJFAPSA-N 2 2 390.531 3.694 20 10 GHCDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1Cn1cccn1 ZINC001461224714 1069450885 /nfs/dbraw/zinc/45/08/85/1069450885.db2.gz URNMVHFYGSCUHB-HSZRJFAPSA-N 2 2 390.531 3.694 20 10 GHCDLP C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000840761100 1027804407 /nfs/dbraw/zinc/80/44/07/1027804407.db2.gz QFQWJPVOLGJNRD-MRXNPFEDSA-N 2 2 398.457 3.838 20 10 GHCDLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045739 1028067079 /nfs/dbraw/zinc/06/70/79/1028067079.db2.gz PCDGFMHHBRKWII-HNAYVOBHSA-N 2 2 388.943 3.721 20 10 GHCDLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001461583521 1069623158 /nfs/dbraw/zinc/62/31/58/1069623158.db2.gz GAOJXLKJOQBCRL-XMSQKQJNSA-N 2 2 388.939 3.981 20 10 GHCDLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC001461583521 1069623165 /nfs/dbraw/zinc/62/31/65/1069623165.db2.gz GAOJXLKJOQBCRL-XMSQKQJNSA-N 2 2 388.939 3.981 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1Cl ZINC001232269059 1037992440 /nfs/dbraw/zinc/99/24/40/1037992440.db2.gz ZYVJOGUASFZIAQ-KDURUIRLSA-N 2 2 386.923 3.926 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1Cl ZINC001232269059 1037992445 /nfs/dbraw/zinc/99/24/45/1037992445.db2.gz ZYVJOGUASFZIAQ-KDURUIRLSA-N 2 2 386.923 3.926 20 10 GHCDLP COCCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235808208 1041317892 /nfs/dbraw/zinc/31/78/92/1041317892.db2.gz YQAGLGFCJSDSAF-OAQYLSRUSA-N 2 2 384.520 3.562 20 10 GHCDLP COCCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235808208 1041317900 /nfs/dbraw/zinc/31/79/00/1041317900.db2.gz YQAGLGFCJSDSAF-OAQYLSRUSA-N 2 2 384.520 3.562 20 10 GHCDLP c1ccc(COc2ccc(N3CC[NH+](CC[C@@H]4CCCC[NH2+]4)CC3)cc2)cc1 ZINC001237247647 1042106224 /nfs/dbraw/zinc/10/62/24/1042106224.db2.gz IECJQHPZNJTGQG-QFIPXVFZSA-N 2 2 379.548 3.920 20 10 GHCDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001279665727 1047906210 /nfs/dbraw/zinc/90/62/10/1047906210.db2.gz VAIKGYAFAGSUQX-IBGZPJMESA-N 2 2 386.367 3.549 20 10 GHCDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001279665727 1047906213 /nfs/dbraw/zinc/90/62/13/1047906213.db2.gz VAIKGYAFAGSUQX-IBGZPJMESA-N 2 2 386.367 3.549 20 10 GHCDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727645644 1048238354 /nfs/dbraw/zinc/23/83/54/1048238354.db2.gz XKPMWHOHFRZNBP-FQEVSTJZSA-N 2 2 385.512 3.986 20 10 GHCDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c2c1c(F)ccc2O ZINC001320125023 1055665051 /nfs/dbraw/zinc/66/50/51/1055665051.db2.gz PPIYTKDIRQXCMH-OXJNMPFZSA-N 2 2 383.511 3.617 20 10 GHCDLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000162029167 835590202 /nfs/dbraw/zinc/59/02/02/835590202.db2.gz LWRZLSVXNWDGBY-QHCPKHFHSA-N 2 2 397.563 3.705 20 10 GHCDLP CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000769427704 874050918 /nfs/dbraw/zinc/05/09/18/874050918.db2.gz LXKWLPGOSGIQFC-UHFFFAOYSA-N 2 2 395.591 3.992 20 10 GHCDLP CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000769427704 874050933 /nfs/dbraw/zinc/05/09/33/874050933.db2.gz LXKWLPGOSGIQFC-UHFFFAOYSA-N 2 2 395.591 3.992 20 10 GHCDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142520280 884476038 /nfs/dbraw/zinc/47/60/38/884476038.db2.gz FHFNMNULRZBDAX-FYINFDKHSA-N 2 2 387.474 3.798 20 10 GHCDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142520280 884476044 /nfs/dbraw/zinc/47/60/44/884476044.db2.gz FHFNMNULRZBDAX-FYINFDKHSA-N 2 2 387.474 3.798 20 10 GHCDLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142520280 884476050 /nfs/dbraw/zinc/47/60/50/884476050.db2.gz FHFNMNULRZBDAX-FYINFDKHSA-N 2 2 387.474 3.798 20 10 GHCDLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142520280 884476059 /nfs/dbraw/zinc/47/60/59/884476059.db2.gz FHFNMNULRZBDAX-FYINFDKHSA-N 2 2 387.474 3.798 20 10 GHCDLP CSC1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC[NH+](C)CC1 ZINC000810251881 888353916 /nfs/dbraw/zinc/35/39/16/888353916.db2.gz AQJUXEYVCUWWAV-NSHDSACASA-N 2 2 391.350 3.772 20 10 GHCDLP COc1ccc(N2CCC([NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)CC2)cc1 ZINC000812839623 891025899 /nfs/dbraw/zinc/02/58/99/891025899.db2.gz DBROKWNHNIQIPP-LJQANCHMSA-N 2 2 394.563 3.874 20 10 GHCDLP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000824903759 899868953 /nfs/dbraw/zinc/86/89/53/899868953.db2.gz LZWWBQCTKWWCJE-MRXNPFEDSA-N 2 2 397.519 3.674 20 10 GHCDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001179016017 909356910 /nfs/dbraw/zinc/35/69/10/909356910.db2.gz VDZSQTZQXZJVJB-MSOLQXFVSA-N 2 2 389.337 3.898 20 10 GHCDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001179016017 909356927 /nfs/dbraw/zinc/35/69/27/909356927.db2.gz VDZSQTZQXZJVJB-MSOLQXFVSA-N 2 2 389.337 3.898 20 10 GHCDLP CCc1cccnc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000780706139 930581064 /nfs/dbraw/zinc/58/10/64/930581064.db2.gz LPQHMPHNKVPUKV-IBGZPJMESA-N 2 2 382.552 3.516 20 10 GHCDLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c(O)c1C ZINC000756481309 1023678370 /nfs/dbraw/zinc/67/83/70/1023678370.db2.gz WTOVLHLNABPAHG-IBGZPJMESA-N 2 2 384.520 3.571 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000756622833 1023741558 /nfs/dbraw/zinc/74/15/58/1023741558.db2.gz ZJMJVBAZFPSVOY-KXBFYZLASA-N 2 2 379.460 3.547 20 10 GHCDLP C[NH+]1CCN(c2ccc(CNc3[nH+]cnc4[nH]c5cc(F)ccc5c43)cc2)CC1 ZINC001156659614 1033163085 /nfs/dbraw/zinc/16/30/85/1033163085.db2.gz NHENFQVKPRETAW-UHFFFAOYSA-N 2 2 390.466 3.614 20 10 GHCDLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)C1 ZINC001231866632 1034953130 /nfs/dbraw/zinc/95/31/30/1034953130.db2.gz BDKIRNVCBDFBOI-INIZCTEOSA-N 2 2 394.943 3.594 20 10 GHCDLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)C1 ZINC001231866632 1034953135 /nfs/dbraw/zinc/95/31/35/1034953135.db2.gz BDKIRNVCBDFBOI-INIZCTEOSA-N 2 2 394.943 3.594 20 10 GHCDLP COc1ccc2ccc(O)c(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001234536981 1040110075 /nfs/dbraw/zinc/11/00/75/1040110075.db2.gz VDISVUGQLAKLCO-PMACEKPBSA-N 2 2 389.499 3.513 20 10 GHCDLP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)Cc1cccc(F)c1F ZINC001236947386 1041967445 /nfs/dbraw/zinc/96/74/45/1041967445.db2.gz QZJPLCAGYNJFTO-UHFFFAOYSA-N 2 2 377.454 3.878 20 10 GHCDLP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)Cc1cccc(F)c1F ZINC001236947386 1041967446 /nfs/dbraw/zinc/96/74/46/1041967446.db2.gz QZJPLCAGYNJFTO-UHFFFAOYSA-N 2 2 377.454 3.878 20 10 GHCDLP Oc1ccc(F)c(Cl)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001237124319 1042051715 /nfs/dbraw/zinc/05/17/15/1042051715.db2.gz OCYDABRJQANMHU-UHFFFAOYSA-N 2 2 394.874 3.645 20 10 GHCDLP Oc1ccc(F)c(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001237124319 1042051720 /nfs/dbraw/zinc/05/17/20/1042051720.db2.gz OCYDABRJQANMHU-UHFFFAOYSA-N 2 2 394.874 3.645 20 10 GHCDLP c1ccc(COc2ccc(N3CC[NH+](CC[C@H]4CCCC[NH2+]4)CC3)cc2)cc1 ZINC001237247486 1042106214 /nfs/dbraw/zinc/10/62/14/1042106214.db2.gz IECJQHPZNJTGQG-JOCHJYFZSA-N 2 2 379.548 3.920 20 10 GHCDLP Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237374184 1042177691 /nfs/dbraw/zinc/17/76/91/1042177691.db2.gz CMCQUILJSGOYHA-UHFFFAOYSA-N 2 2 392.421 3.928 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC001256538150 1043484136 /nfs/dbraw/zinc/48/41/36/1043484136.db2.gz RGOVXXSGNBKMBY-NZQKXSOJSA-N 2 2 379.548 3.870 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC001256538150 1043484156 /nfs/dbraw/zinc/48/41/56/1043484156.db2.gz RGOVXXSGNBKMBY-NZQKXSOJSA-N 2 2 379.548 3.870 20 10 GHCDLP CCOC(=O)CCC[C@H](C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001258111291 1044399340 /nfs/dbraw/zinc/39/93/40/1044399340.db2.gz HODJPOMWGYUAOC-ITEAAPOESA-N 2 2 386.492 3.550 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(CSC)cc3)CC2)cc1 ZINC001308187260 1049904885 /nfs/dbraw/zinc/90/48/85/1049904885.db2.gz ZTQDJBMPNHKRJX-UHFFFAOYSA-N 2 2 399.604 3.860 20 10 GHCDLP COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308205734 1049912426 /nfs/dbraw/zinc/91/24/26/1049912426.db2.gz DVKBKMQRLKWAIX-OAHLLOKOSA-N 2 2 375.463 3.576 20 10 GHCDLP C[NH+]1CCN(c2ccc(CN[C@H](C[NH+]3CCCC3)c3ccccc3)cc2F)CC1 ZINC001473909683 1074200098 /nfs/dbraw/zinc/20/00/98/1074200098.db2.gz VVDKBERJRAJMIE-HSZRJFAPSA-N 2 2 396.554 3.504 20 10 GHCDLP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000922952260 858879444 /nfs/dbraw/zinc/87/94/44/858879444.db2.gz ILPINJKMFFUWOF-NRFANRHFSA-N 2 2 385.577 3.727 20 10 GHCDLP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000922952260 858879463 /nfs/dbraw/zinc/87/94/63/858879463.db2.gz ILPINJKMFFUWOF-NRFANRHFSA-N 2 2 385.577 3.727 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3O)cc2F)CC1 ZINC000185393651 866054109 /nfs/dbraw/zinc/05/41/09/866054109.db2.gz VXXAMOZLBQBIOV-HNNXBMFYSA-N 2 2 375.463 3.663 20 10 GHCDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC001202102624 876003412 /nfs/dbraw/zinc/00/34/12/876003412.db2.gz UZJNNORGHNVQDQ-RUZDIDTESA-N 2 2 393.575 3.648 20 10 GHCDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC001202102624 876003419 /nfs/dbraw/zinc/00/34/19/876003419.db2.gz UZJNNORGHNVQDQ-RUZDIDTESA-N 2 2 393.575 3.648 20 10 GHCDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809575881 887553519 /nfs/dbraw/zinc/55/35/19/887553519.db2.gz DQSARWBFZSLBEQ-UHFFFAOYSA-N 2 2 393.575 3.528 20 10 GHCDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809575881 887553533 /nfs/dbraw/zinc/55/35/33/887553533.db2.gz DQSARWBFZSLBEQ-UHFFFAOYSA-N 2 2 393.575 3.528 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000916832058 890261029 /nfs/dbraw/zinc/26/10/29/890261029.db2.gz MKSBOOJYDHZHBH-UHFFFAOYSA-N 2 2 397.563 3.784 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Cl)c(F)cc3O)cc2F)CC1 ZINC000816547777 894916109 /nfs/dbraw/zinc/91/61/09/894916109.db2.gz ISYDTABHEKLRKP-UHFFFAOYSA-N 2 2 395.881 3.756 20 10 GHCDLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939053 895968575 /nfs/dbraw/zinc/96/85/75/895968575.db2.gz YDHUCDNLOVADGV-VGSWGCGISA-N 2 2 397.567 3.977 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cncc4ccccc43)CC2)cc1 ZINC000772904188 900846590 /nfs/dbraw/zinc/84/65/90/900846590.db2.gz HVGKDQVXJUUOLN-UHFFFAOYSA-N 2 2 390.531 3.545 20 10 GHCDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CN1Cc1ccccc1 ZINC001171733100 904961218 /nfs/dbraw/zinc/96/12/18/904961218.db2.gz IIXOFNKPTUAZOX-CVDCTZTESA-N 2 2 379.548 3.609 20 10 GHCDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(OC(F)(F)F)cc3)CC1)C2 ZINC001172129469 905381752 /nfs/dbraw/zinc/38/17/52/905381752.db2.gz ARDRUUBDCQJPPP-BCDXTJNWSA-N 2 2 383.458 3.723 20 10 GHCDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(OC(F)(F)F)cc3)CC1)C2 ZINC001172129469 905381772 /nfs/dbraw/zinc/38/17/72/905381772.db2.gz ARDRUUBDCQJPPP-BCDXTJNWSA-N 2 2 383.458 3.723 20 10 GHCDLP CCOc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c(C)c1 ZINC001461005470 1069331484 /nfs/dbraw/zinc/33/14/84/1069331484.db2.gz LVPMNWSKNZQPGA-UHFFFAOYSA-N 2 2 397.563 3.704 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c2ccccc21 ZINC001204235098 1032681071 /nfs/dbraw/zinc/68/10/71/1032681071.db2.gz GARHKVFDXJUUSY-SZPZYZBQSA-N 2 2 386.543 3.865 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c2ccccc21 ZINC001204235098 1032681081 /nfs/dbraw/zinc/68/10/81/1032681081.db2.gz GARHKVFDXJUUSY-SZPZYZBQSA-N 2 2 386.543 3.865 20 10 GHCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c2ccccc21 ZINC001204235098 1032681089 /nfs/dbraw/zinc/68/10/89/1032681089.db2.gz GARHKVFDXJUUSY-SZPZYZBQSA-N 2 2 386.543 3.865 20 10 GHCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c2ccccc21 ZINC001204235098 1032681099 /nfs/dbraw/zinc/68/10/99/1032681099.db2.gz GARHKVFDXJUUSY-SZPZYZBQSA-N 2 2 386.543 3.865 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000756459620 1023662625 /nfs/dbraw/zinc/66/26/25/1023662625.db2.gz NHQOYJPSEAYBNP-CYBMUJFWSA-N 2 2 383.423 3.663 20 10 GHCDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001140099569 1026876149 /nfs/dbraw/zinc/87/61/49/1026876149.db2.gz KWAYREFGMGXTSZ-UHFFFAOYSA-N 2 2 376.298 3.597 20 10 GHCDLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000841044978 1028063672 /nfs/dbraw/zinc/06/36/72/1028063672.db2.gz HEGUHRYACIDFPB-QRWLVFNGSA-N 2 2 388.943 3.721 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000841046076 1028069315 /nfs/dbraw/zinc/06/93/15/1028069315.db2.gz VSMWIONYLVEYJR-DUXKGJEZSA-N 2 2 382.508 3.662 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1Cl ZINC001232269061 1037992325 /nfs/dbraw/zinc/99/23/25/1037992325.db2.gz ZYVJOGUASFZIAQ-RTBURBONSA-N 2 2 386.923 3.926 20 10 GHCDLP Oc1c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc(Br)cc1C(F)(F)F ZINC001235093155 1040583952 /nfs/dbraw/zinc/58/39/52/1040583952.db2.gz PTFURKLTOPPCRH-UHFFFAOYSA-N 2 2 393.247 3.749 20 10 GHCDLP Oc1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(Br)cc1C(F)(F)F ZINC001235093155 1040583970 /nfs/dbraw/zinc/58/39/70/1040583970.db2.gz PTFURKLTOPPCRH-UHFFFAOYSA-N 2 2 393.247 3.749 20 10 GHCDLP C[NH+]1CCC(C2CC[NH+](Cc3cc(F)cc(Br)c3O)CC2)CC1 ZINC001235302915 1040776733 /nfs/dbraw/zinc/77/67/33/1040776733.db2.gz WIEPYUSBIAICTR-UHFFFAOYSA-N 2 2 385.321 3.848 20 10 GHCDLP Cc1ccc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC[NH2+]CC2)c(F)c1 ZINC001236492654 1041738276 /nfs/dbraw/zinc/73/82/76/1041738276.db2.gz NVQWTYVARLGSKR-UHFFFAOYSA-N 2 2 397.538 3.725 20 10 GHCDLP Cc1ccc(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C2CC[NH2+]CC2)c(F)c1 ZINC001236492654 1041738279 /nfs/dbraw/zinc/73/82/79/1041738279.db2.gz NVQWTYVARLGSKR-UHFFFAOYSA-N 2 2 397.538 3.725 20 10 GHCDLP Oc1c(Br)cc(F)cc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236961482 1041970866 /nfs/dbraw/zinc/97/08/66/1041970866.db2.gz AXIYNORTNNWTPM-UHFFFAOYSA-N 2 2 385.321 3.896 20 10 GHCDLP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(F)ccc1O)C2 ZINC001279197667 1047740647 /nfs/dbraw/zinc/74/06/47/1047740647.db2.gz XKOOZEKKCUKPGZ-HXUWFJFHSA-N 2 2 375.513 3.784 20 10 GHCDLP Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(F)ccc1O)C2 ZINC001279197667 1047740651 /nfs/dbraw/zinc/74/06/51/1047740651.db2.gz XKOOZEKKCUKPGZ-HXUWFJFHSA-N 2 2 375.513 3.784 20 10 GHCDLP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001279197667 1047740658 /nfs/dbraw/zinc/74/06/58/1047740658.db2.gz XKOOZEKKCUKPGZ-HXUWFJFHSA-N 2 2 375.513 3.784 20 10 GHCDLP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001279197667 1047740666 /nfs/dbraw/zinc/74/06/66/1047740666.db2.gz XKOOZEKKCUKPGZ-HXUWFJFHSA-N 2 2 375.513 3.784 20 10 GHCDLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC001200171862 1065469271 /nfs/dbraw/zinc/46/92/71/1065469271.db2.gz GGMNXNKCWMLEAR-UHFFFAOYSA-N 2 2 387.955 3.959 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(Cl)n[nH]c3C3CC3)cc2F)CC1 ZINC001473982915 1074225540 /nfs/dbraw/zinc/22/55/40/1074225540.db2.gz LWEZMSNZNXFZHY-UHFFFAOYSA-N 2 2 391.922 3.511 20 10 GHCDLP Cc1cc(O)c(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC001474515449 1074443697 /nfs/dbraw/zinc/44/36/97/1074443697.db2.gz UHXZFHVFDHLMNN-FQEVSTJZSA-N 2 2 399.966 3.746 20 10 GHCDLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000162029293 835591296 /nfs/dbraw/zinc/59/12/96/835591296.db2.gz LWRZLSVXNWDGBY-HSZRJFAPSA-N 2 2 397.563 3.705 20 10 GHCDLP Oc1ccccc1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000809753502 887791695 /nfs/dbraw/zinc/79/16/95/887791695.db2.gz UNSJVDLOSFWHRW-UHFFFAOYSA-N 2 2 376.254 3.647 20 10 GHCDLP Oc1ccccc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000809753502 887791713 /nfs/dbraw/zinc/79/17/13/887791713.db2.gz UNSJVDLOSFWHRW-UHFFFAOYSA-N 2 2 376.254 3.647 20 10 GHCDLP Cc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1O ZINC000809752997 887794393 /nfs/dbraw/zinc/79/43/93/887794393.db2.gz LALNYDUKLNNQQS-UHFFFAOYSA-N 2 2 390.281 3.955 20 10 GHCDLP Cc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1O ZINC000809752997 887794398 /nfs/dbraw/zinc/79/43/98/887794398.db2.gz LALNYDUKLNNQQS-UHFFFAOYSA-N 2 2 390.281 3.955 20 10 GHCDLP Cn1cc([C@@H]2C[N@H+](Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C[C@H]2[NH3+])cn1 ZINC000818431349 896167787 /nfs/dbraw/zinc/16/77/87/896167787.db2.gz JMWVSKVEQIGZJR-AZUAARDMSA-N 2 2 384.568 3.647 20 10 GHCDLP Cn1cc([C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C[C@H]2[NH3+])cn1 ZINC000818431349 896167789 /nfs/dbraw/zinc/16/77/89/896167789.db2.gz JMWVSKVEQIGZJR-AZUAARDMSA-N 2 2 384.568 3.647 20 10 GHCDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825376124 900133621 /nfs/dbraw/zinc/13/36/21/900133621.db2.gz VHICNGZEUADDQS-AWEZNQCLSA-N 2 2 390.325 3.865 20 10 GHCDLP Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1O ZINC000779004462 902729222 /nfs/dbraw/zinc/72/92/22/902729222.db2.gz XFDWTXPDMLJQFP-CYBMUJFWSA-N 2 2 378.314 3.889 20 10 GHCDLP COc1cccc([C@@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1O ZINC000846143417 902749868 /nfs/dbraw/zinc/74/98/68/902749868.db2.gz FMCAIODEBOQGFH-ZWKOTPCHSA-N 2 2 384.520 3.951 20 10 GHCDLP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Br)ccc1O ZINC000775503951 918459598 /nfs/dbraw/zinc/45/95/98/918459598.db2.gz QUUYGQLRMPLZBX-SJLPKXTDSA-N 2 2 397.357 3.839 20 10 GHCDLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000925793178 931905819 /nfs/dbraw/zinc/90/58/19/931905819.db2.gz HVKGRVXIWXBPBV-PKOBYXMFSA-N 2 2 375.532 3.625 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC001204340461 1032783090 /nfs/dbraw/zinc/78/30/90/1032783090.db2.gz RXMBXASBOXRLOS-MRXNPFEDSA-N 2 2 393.281 3.602 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC001204340461 1032783102 /nfs/dbraw/zinc/78/31/02/1032783102.db2.gz RXMBXASBOXRLOS-MRXNPFEDSA-N 2 2 393.281 3.602 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(OC)c1 ZINC001138385906 1024756714 /nfs/dbraw/zinc/75/67/14/1024756714.db2.gz CWIHYMVCXCKMAH-FGZHOGPDSA-N 2 2 394.563 3.500 20 10 GHCDLP COc1cc(C[N@H+](Cc2cc(C)no2)Cc2ccccc2)cc(C[NH+](C)C)c1O ZINC001139259407 1026109680 /nfs/dbraw/zinc/10/96/80/1026109680.db2.gz UXXWPWOFYFWWNH-UHFFFAOYSA-N 2 2 395.503 3.961 20 10 GHCDLP COc1cc(C[N@@H+](Cc2cc(C)no2)Cc2ccccc2)cc(C[NH+](C)C)c1O ZINC001139259407 1026109700 /nfs/dbraw/zinc/10/97/00/1026109700.db2.gz UXXWPWOFYFWWNH-UHFFFAOYSA-N 2 2 395.503 3.961 20 10 GHCDLP Oc1cccc(Br)c1C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001140100480 1026879140 /nfs/dbraw/zinc/87/91/40/1026879140.db2.gz QRYRXKVZGBLVLU-UHFFFAOYSA-N 2 2 379.342 3.995 20 10 GHCDLP Oc1cccc(Br)c1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001140100480 1026879146 /nfs/dbraw/zinc/87/91/46/1026879146.db2.gz QRYRXKVZGBLVLU-UHFFFAOYSA-N 2 2 379.342 3.995 20 10 GHCDLP Oc1ccc(Br)cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203645803 1027503870 /nfs/dbraw/zinc/50/38/70/1027503870.db2.gz SSYSLCHATNGQQB-ROUUACIJSA-N 2 2 387.321 3.719 20 10 GHCDLP CCOc1cc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1OC(F)F ZINC000841043483 1028063932 /nfs/dbraw/zinc/06/39/32/1028063932.db2.gz OUPDCGUXANHBAU-KRWDZBQOSA-N 2 2 379.451 3.542 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(Br)c3cccnc23)cc1 ZINC000841045819 1028067458 /nfs/dbraw/zinc/06/74/58/1028067458.db2.gz QUHZKUIXTUYCOC-LJQANCHMSA-N 2 2 399.336 3.853 20 10 GHCDLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1O ZINC000841743903 1028906368 /nfs/dbraw/zinc/90/63/68/1028906368.db2.gz DDNFIGBVCPKNJR-MRXNPFEDSA-N 2 2 390.911 3.607 20 10 GHCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195704 1038961526 /nfs/dbraw/zinc/96/15/26/1038961526.db2.gz ONHPKYQGPKSDJU-KDOFPFPSSA-N 2 2 375.310 3.834 20 10 GHCDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195704 1038961528 /nfs/dbraw/zinc/96/15/28/1038961528.db2.gz ONHPKYQGPKSDJU-KDOFPFPSSA-N 2 2 375.310 3.834 20 10 GHCDLP Clc1cc(N2CCOCC2)ccc1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236300854 1041665138 /nfs/dbraw/zinc/66/51/38/1041665138.db2.gz NOIICAOWWJBEKH-UHFFFAOYSA-N 2 2 399.966 3.931 20 10 GHCDLP Clc1cc(N2CCOCC2)ccc1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236300854 1041665144 /nfs/dbraw/zinc/66/51/44/1041665144.db2.gz NOIICAOWWJBEKH-UHFFFAOYSA-N 2 2 399.966 3.931 20 10 GHCDLP COc1cc(Cl)cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1O ZINC000273788233 847448053 /nfs/dbraw/zinc/44/80/53/847448053.db2.gz UUOAGXMGILTYJC-UHFFFAOYSA-N 2 2 390.915 3.592 20 10 GHCDLP CC(C)(C)c1coc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000921955731 857294873 /nfs/dbraw/zinc/29/48/73/857294873.db2.gz GFCMQJNWKQZKCS-UHFFFAOYSA-N 2 2 382.552 3.794 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000764675467 859562665 /nfs/dbraw/zinc/56/26/65/859562665.db2.gz AECJECKNXSWWBJ-FQEVSTJZSA-N 2 2 396.579 3.624 20 10 GHCDLP COc1ccc(N2CCC([NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)CC2)cc1 ZINC000812839622 891025643 /nfs/dbraw/zinc/02/56/43/891025643.db2.gz DBROKWNHNIQIPP-IBGZPJMESA-N 2 2 394.563 3.874 20 10 GHCDLP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1OC(F)F ZINC000817938526 895966576 /nfs/dbraw/zinc/96/65/76/895966576.db2.gz MEFTYCGWKMCJFY-GUYCJALGSA-N 2 2 379.451 3.713 20 10 GHCDLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2ccccc21 ZINC000817943542 895972410 /nfs/dbraw/zinc/97/24/10/895972410.db2.gz VFHFIIMIYWHVBV-YPAWHYETSA-N 2 2 381.520 3.524 20 10 GHCDLP CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c(O)c1 ZINC000824903954 899869643 /nfs/dbraw/zinc/86/96/43/899869643.db2.gz QUFMWQVEQOFWQV-UHFFFAOYSA-N 2 2 397.519 3.504 20 10 GHCDLP Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001177835250 908774138 /nfs/dbraw/zinc/77/41/38/908774138.db2.gz NDCXWROVGWBXQP-UHFFFAOYSA-N 2 2 378.875 3.949 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268795258 910021298 /nfs/dbraw/zinc/02/12/98/910021298.db2.gz ZRXLRNRORBJRHN-GOSISDBHSA-N 2 2 394.494 3.758 20 10 GHCDLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(Br)cc1O ZINC000903379960 922977984 /nfs/dbraw/zinc/97/79/84/922977984.db2.gz JKJPWCGFVJLFBP-GUYCJALGSA-N 2 2 378.314 3.893 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000749123658 924034043 /nfs/dbraw/zinc/03/40/43/924034043.db2.gz HRGOCZKBPRRGML-LJQANCHMSA-N 2 2 383.536 3.567 20 10 GHCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(C(F)(F)F)c1O ZINC000798181300 932554437 /nfs/dbraw/zinc/55/44/37/932554437.db2.gz IHZZGTMVTXRPQP-DOPJRALCSA-N 2 2 386.458 3.830 20 10 GHCDLP Cc1[nH]c2nc[nH+]c(N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c2c1C ZINC001155630749 1032609845 /nfs/dbraw/zinc/60/98/45/1032609845.db2.gz WPSUXTARGJOWSL-QEUVDIPISA-N 2 2 377.536 3.974 20 10 GHCDLP Cc1[nH]c2nc[nH+]c(N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)c2c1C ZINC001155630749 1032609852 /nfs/dbraw/zinc/60/98/52/1032609852.db2.gz WPSUXTARGJOWSL-QEUVDIPISA-N 2 2 377.536 3.974 20 10 GHCDLP c1nc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc(N2CCCCC2)[nH+]1 ZINC001155640352 1032615581 /nfs/dbraw/zinc/61/55/81/1032615581.db2.gz AGQYVPZTLKWZMA-FBHSLPMESA-N 2 2 393.579 3.866 20 10 GHCDLP c1nc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc(N2CCCCC2)[nH+]1 ZINC001155640352 1032615589 /nfs/dbraw/zinc/61/55/89/1032615589.db2.gz AGQYVPZTLKWZMA-FBHSLPMESA-N 2 2 393.579 3.866 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[N@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC001140309813 1021370141 /nfs/dbraw/zinc/37/01/41/1021370141.db2.gz VKYUUFUVBLIQKK-UHFFFAOYSA-N 3 2 389.547 3.646 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC001140309813 1021370157 /nfs/dbraw/zinc/37/01/57/1021370157.db2.gz VKYUUFUVBLIQKK-UHFFFAOYSA-N 3 2 389.547 3.646 20 10 GHCDLP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000756403332 1023629567 /nfs/dbraw/zinc/62/95/67/1023629567.db2.gz XVOYBUDOVZJQSU-QGZVFWFLSA-N 2 2 389.490 3.529 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)cc(C)cc3F)cc2F)CC1 ZINC001461156026 1069416608 /nfs/dbraw/zinc/41/66/08/1069416608.db2.gz JRYZMKQCKAXDIP-UHFFFAOYSA-N 2 2 377.454 3.844 20 10 GHCDLP Oc1cccc(Br)c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140101243 1026880886 /nfs/dbraw/zinc/88/08/86/1026880886.db2.gz MZRBVFBCFYLJRR-IRXDYDNUSA-N 2 2 387.321 3.719 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccccc2OCc2cccnc2)cc1 ZINC000841045656 1028065965 /nfs/dbraw/zinc/06/59/65/1028065965.db2.gz NTBHDGCDRMXNAQ-JOCHJYFZSA-N 2 2 376.504 3.516 20 10 GHCDLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046193 1028068902 /nfs/dbraw/zinc/06/89/02/1028068902.db2.gz XTQBWXDVXXUHRY-NRFANRHFSA-N 2 2 383.927 3.690 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001222369052 1030092986 /nfs/dbraw/zinc/09/29/86/1030092986.db2.gz UVZCBCIMEHOGRA-HSZRJFAPSA-N 2 2 389.584 3.753 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001222369052 1030093000 /nfs/dbraw/zinc/09/30/00/1030093000.db2.gz UVZCBCIMEHOGRA-HSZRJFAPSA-N 2 2 389.584 3.753 20 10 GHCDLP Cc1cccc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1O ZINC001231592966 1034747877 /nfs/dbraw/zinc/74/78/77/1034747877.db2.gz MDNVFZWHGSPHRK-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1cccc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1O ZINC001231592966 1034747889 /nfs/dbraw/zinc/74/78/89/1034747889.db2.gz MDNVFZWHGSPHRK-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1cccc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1O ZINC001231592966 1034747901 /nfs/dbraw/zinc/74/79/01/1034747901.db2.gz MDNVFZWHGSPHRK-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1cccc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1O ZINC001231592966 1034747911 /nfs/dbraw/zinc/74/79/11/1034747911.db2.gz MDNVFZWHGSPHRK-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235713362 1041196371 /nfs/dbraw/zinc/19/63/71/1041196371.db2.gz XWJXCEZILUVNMW-UHFFFAOYSA-N 3 2 392.591 3.583 20 10 GHCDLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235713362 1041196392 /nfs/dbraw/zinc/19/63/92/1041196392.db2.gz XWJXCEZILUVNMW-UHFFFAOYSA-N 3 2 392.591 3.583 20 10 GHCDLP c1[nH+]cn2c1cccc2C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001238110546 1042494920 /nfs/dbraw/zinc/49/49/20/1042494920.db2.gz MPRBERIACWIUIW-UHFFFAOYSA-N 2 2 399.498 3.631 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cc(C)c(OC)c(C)c3)CC2)cc1 ZINC000920175434 881884155 /nfs/dbraw/zinc/88/41/55/881884155.db2.gz FRVRCKIJVRBWRD-UHFFFAOYSA-N 2 2 397.563 3.623 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cc(F)cc(F)c1O ZINC000793565225 882274404 /nfs/dbraw/zinc/27/44/04/882274404.db2.gz GZRPRDUCGLUQDB-CQSZACIVSA-N 2 2 376.447 3.994 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646207 887259236 /nfs/dbraw/zinc/25/92/36/887259236.db2.gz QRAUWTLZPNPMLS-JSGCOSHPSA-N 2 2 383.380 3.731 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646207 887259254 /nfs/dbraw/zinc/25/92/54/887259254.db2.gz QRAUWTLZPNPMLS-JSGCOSHPSA-N 2 2 383.380 3.731 20 10 GHCDLP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1OC(F)F ZINC000817938527 895967310 /nfs/dbraw/zinc/96/73/10/895967310.db2.gz MEFTYCGWKMCJFY-SUMWQHHRSA-N 2 2 379.451 3.713 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccnc3Cl)cc2F)CC1 ZINC000155275119 898550903 /nfs/dbraw/zinc/55/09/03/898550903.db2.gz LLCQBKYZDKYXKV-HNNXBMFYSA-N 2 2 376.907 3.867 20 10 GHCDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152267548 904251454 /nfs/dbraw/zinc/25/14/54/904251454.db2.gz XBQJQHSAHCYCIT-KRWDZBQOSA-N 2 2 380.467 3.699 20 10 GHCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)c(Cl)cc1O ZINC000774198961 911479527 /nfs/dbraw/zinc/47/95/27/911479527.db2.gz QPOVGFSARACAJV-VBKZILBWSA-N 2 2 395.330 3.987 20 10 GHCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c(Cl)cc1O ZINC000774198961 911479538 /nfs/dbraw/zinc/47/95/38/911479538.db2.gz QPOVGFSARACAJV-VBKZILBWSA-N 2 2 395.330 3.987 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902762540 922479177 /nfs/dbraw/zinc/47/91/77/922479177.db2.gz NWIMKFYZNCNRTF-KRWDZBQOSA-N 2 2 394.494 3.823 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000798935636 932822920 /nfs/dbraw/zinc/82/29/20/932822920.db2.gz QEKFIEIOAJCEGH-HXOBKFHXSA-N 2 2 382.504 3.742 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798935636 932822926 /nfs/dbraw/zinc/82/29/26/932822926.db2.gz QEKFIEIOAJCEGH-HXOBKFHXSA-N 2 2 382.504 3.742 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001204340276 1032781976 /nfs/dbraw/zinc/78/19/76/1032781976.db2.gz KJFBMAAWUJJASV-HNNXBMFYSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001204340276 1032781991 /nfs/dbraw/zinc/78/19/91/1032781991.db2.gz KJFBMAAWUJJASV-HNNXBMFYSA-N 2 2 393.281 3.520 20 10 GHCDLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(N5CCCCC5)cc4)C[C@@H]3C2)nc1 ZINC001138217127 1024388038 /nfs/dbraw/zinc/38/80/38/1024388038.db2.gz XSDAIJWOQNCAKI-FGZHOGPDSA-N 2 2 376.548 3.636 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c(OC)c1 ZINC001138387674 1024761118 /nfs/dbraw/zinc/76/11/18/1024761118.db2.gz LXRJQBOSCGJPTK-NHCUHLMSSA-N 2 2 394.563 3.500 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(N(C)C)cc3C)CC2)cc1 ZINC000840950078 1027981307 /nfs/dbraw/zinc/98/13/07/1027981307.db2.gz FDMOXQWAIQKTBK-UHFFFAOYSA-N 2 2 394.563 3.774 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608852 1030233210 /nfs/dbraw/zinc/23/32/10/1030233210.db2.gz GPHJIZIAFKNKNG-QGZVFWFLSA-N 2 2 387.321 3.652 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608852 1030233226 /nfs/dbraw/zinc/23/32/26/1030233226.db2.gz GPHJIZIAFKNKNG-QGZVFWFLSA-N 2 2 387.321 3.652 20 10 GHCDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232201912 1035158833 /nfs/dbraw/zinc/15/88/33/1035158833.db2.gz PCBCHRQWIJQNKR-GOSISDBHSA-N 2 2 387.911 3.533 20 10 GHCDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232201912 1035158838 /nfs/dbraw/zinc/15/88/38/1035158838.db2.gz PCBCHRQWIJQNKR-GOSISDBHSA-N 2 2 387.911 3.533 20 10 GHCDLP Oc1ccc(F)c(Cl)c1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001279683826 1047912530 /nfs/dbraw/zinc/91/25/30/1047912530.db2.gz JQJQHJYRSZHVPD-MOPGFXCFSA-N 2 2 378.879 3.633 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccsc3Br)cc2F)CC1 ZINC001325205361 1057289503 /nfs/dbraw/zinc/28/95/03/1057289503.db2.gz QHOZPDGBWQQFEH-UHFFFAOYSA-N 2 2 398.345 3.691 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168685974 856747716 /nfs/dbraw/zinc/74/77/16/856747716.db2.gz USOYIQMHEBHUCH-IBGZPJMESA-N 2 2 399.966 3.618 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc4c(c3)COC4)CC2)cc1 ZINC000764685416 859567329 /nfs/dbraw/zinc/56/73/29/859567329.db2.gz VJIYKCBRAUFDSW-IBGZPJMESA-N 2 2 395.547 3.588 20 10 GHCDLP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850558174 877025923 /nfs/dbraw/zinc/02/59/23/877025923.db2.gz UYHQNMNNSYUOKD-JTHBVZDNSA-N 2 2 380.532 3.909 20 10 GHCDLP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1O ZINC000806135948 884356336 /nfs/dbraw/zinc/35/63/36/884356336.db2.gz QHVOUWUVLWWLNP-HXUWFJFHSA-N 2 2 388.943 3.694 20 10 GHCDLP C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000778203054 893289054 /nfs/dbraw/zinc/28/90/54/893289054.db2.gz YWHRVOSUXPVAAK-DEOSSOPVSA-N 2 2 379.548 3.668 20 10 GHCDLP C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000778203054 893289064 /nfs/dbraw/zinc/28/90/64/893289064.db2.gz YWHRVOSUXPVAAK-DEOSSOPVSA-N 2 2 379.548 3.668 20 10 GHCDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Br)ccc1O ZINC000817941040 895970178 /nfs/dbraw/zinc/97/01/78/895970178.db2.gz IKKSBEPEPCVHTE-ROUUACIJSA-N 2 2 392.341 3.961 20 10 GHCDLP c1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC001177235740 908476110 /nfs/dbraw/zinc/47/61/10/908476110.db2.gz JCBPRMGAARHHTK-UHFFFAOYSA-N 2 2 378.564 3.589 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000781913021 931026799 /nfs/dbraw/zinc/02/67/99/931026799.db2.gz YEHDSZVPOOKJLX-KDOFPFPSSA-N 2 2 379.342 3.912 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000781913021 931026795 /nfs/dbraw/zinc/02/67/95/931026795.db2.gz YEHDSZVPOOKJLX-KDOFPFPSSA-N 2 2 379.342 3.912 20 10 GHCDLP Cc1cc(Br)c(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000781913021 931026804 /nfs/dbraw/zinc/02/68/04/931026804.db2.gz YEHDSZVPOOKJLX-KDOFPFPSSA-N 2 2 379.342 3.912 20 10 GHCDLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028605 1023277496 /nfs/dbraw/zinc/27/74/96/1023277496.db2.gz WUWCZYQXXHIYRR-UHFFFAOYSA-N 2 2 384.520 3.896 20 10 GHCDLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028605 1023277501 /nfs/dbraw/zinc/27/75/01/1023277501.db2.gz WUWCZYQXXHIYRR-UHFFFAOYSA-N 2 2 384.520 3.896 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000756636934 1023747771 /nfs/dbraw/zinc/74/77/71/1023747771.db2.gz XVHVNMVQNOYYHE-WWMYMODYSA-N 2 2 382.504 3.740 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000756636934 1023747781 /nfs/dbraw/zinc/74/77/81/1023747781.db2.gz XVHVNMVQNOYYHE-WWMYMODYSA-N 2 2 382.504 3.740 20 10 GHCDLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044953 1028063832 /nfs/dbraw/zinc/06/38/32/1028063832.db2.gz GTGDWFCNCOSUMP-LAUBAEHRSA-N 2 2 382.552 3.883 20 10 GHCDLP Oc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(O)cc1Br ZINC001222173278 1029988779 /nfs/dbraw/zinc/98/87/79/1029988779.db2.gz SQLHUCSVUDCGMM-GOSISDBHSA-N 2 2 383.330 3.606 20 10 GHCDLP Oc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(O)cc1Br ZINC001222173278 1029988785 /nfs/dbraw/zinc/98/87/85/1029988785.db2.gz SQLHUCSVUDCGMM-GOSISDBHSA-N 2 2 383.330 3.606 20 10 GHCDLP C[C@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@H]1C[NH3+] ZINC001206024069 1033691779 /nfs/dbraw/zinc/69/17/79/1033691779.db2.gz HEZYCBZCQCMKQO-QWRGUYRKSA-N 2 2 395.263 3.980 20 10 GHCDLP C[C@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@H]1C[NH3+] ZINC001206024069 1033691787 /nfs/dbraw/zinc/69/17/87/1033691787.db2.gz HEZYCBZCQCMKQO-QWRGUYRKSA-N 2 2 395.263 3.980 20 10 GHCDLP COc1cc(N(C)C)ccc1C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001231855417 1034946045 /nfs/dbraw/zinc/94/60/45/1034946045.db2.gz SIANOOWXYJYQSZ-UHFFFAOYSA-N 2 2 379.548 3.784 20 10 GHCDLP COc1cc(N(C)C)ccc1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001231855417 1034946050 /nfs/dbraw/zinc/94/60/50/1034946050.db2.gz SIANOOWXYJYQSZ-UHFFFAOYSA-N 2 2 379.548 3.784 20 10 GHCDLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)C1 ZINC001208614123 1034954863 /nfs/dbraw/zinc/95/48/63/1034954863.db2.gz KBBMWZBBJAFNMU-IBGZPJMESA-N 2 2 390.531 3.959 20 10 GHCDLP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)C1 ZINC001208614123 1034954868 /nfs/dbraw/zinc/95/48/68/1034954868.db2.gz KBBMWZBBJAFNMU-IBGZPJMESA-N 2 2 390.531 3.959 20 10 GHCDLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233013568 1038768893 /nfs/dbraw/zinc/76/88/93/1038768893.db2.gz YZVUWLBXYLWEBJ-CGTJXYLNSA-N 2 2 388.533 3.597 20 10 GHCDLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233013568 1038768900 /nfs/dbraw/zinc/76/89/00/1038768900.db2.gz YZVUWLBXYLWEBJ-CGTJXYLNSA-N 2 2 388.533 3.597 20 10 GHCDLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233013568 1038768907 /nfs/dbraw/zinc/76/89/07/1038768907.db2.gz YZVUWLBXYLWEBJ-CGTJXYLNSA-N 2 2 388.533 3.597 20 10 GHCDLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233013568 1038768911 /nfs/dbraw/zinc/76/89/11/1038768911.db2.gz YZVUWLBXYLWEBJ-CGTJXYLNSA-N 2 2 388.533 3.597 20 10 GHCDLP COc1ccc2ccc(O)c(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001234536979 1040110335 /nfs/dbraw/zinc/11/03/35/1040110335.db2.gz VDISVUGQLAKLCO-BGYRXZFFSA-N 2 2 389.499 3.513 20 10 GHCDLP COc1ccc2ccc(O)c(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001234536979 1040110340 /nfs/dbraw/zinc/11/03/40/1040110340.db2.gz VDISVUGQLAKLCO-BGYRXZFFSA-N 2 2 389.499 3.513 20 10 GHCDLP COc1ccc2ccc(O)c(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001234536979 1040110344 /nfs/dbraw/zinc/11/03/44/1040110344.db2.gz VDISVUGQLAKLCO-BGYRXZFFSA-N 2 2 389.499 3.513 20 10 GHCDLP COc1ccc2ccc(O)c(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001234536979 1040110348 /nfs/dbraw/zinc/11/03/48/1040110348.db2.gz VDISVUGQLAKLCO-BGYRXZFFSA-N 2 2 389.499 3.513 20 10 GHCDLP C[NH2+]CC1CC[NH+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001235679079 1041140395 /nfs/dbraw/zinc/14/03/95/1041140395.db2.gz LFZDXGZRVSNANJ-UHFFFAOYSA-N 2 2 381.236 3.605 20 10 GHCDLP C[NH+]1CCC([NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)CC1 ZINC001256214314 1041652758 /nfs/dbraw/zinc/65/27/58/1041652758.db2.gz HSSSFYSEJOGOEU-UHFFFAOYSA-N 2 2 376.504 3.711 20 10 GHCDLP CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943296 1041966147 /nfs/dbraw/zinc/96/61/47/1041966147.db2.gz QRWHFQGOIHIQBN-UHFFFAOYSA-N 2 2 383.511 3.671 20 10 GHCDLP CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943296 1041966151 /nfs/dbraw/zinc/96/61/51/1041966151.db2.gz QRWHFQGOIHIQBN-UHFFFAOYSA-N 2 2 383.511 3.671 20 10 GHCDLP Oc1c(F)cc(Br)cc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236963295 1041971129 /nfs/dbraw/zinc/97/11/29/1041971129.db2.gz ZSXSUKAPZMVWIQ-UHFFFAOYSA-N 2 2 385.321 3.896 20 10 GHCDLP Oc1cc(Br)cc(F)c1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962759 1041971378 /nfs/dbraw/zinc/97/13/78/1041971378.db2.gz RHOAFOSMWIRXLF-UHFFFAOYSA-N 2 2 385.321 3.896 20 10 GHCDLP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1)CC1CC1 ZINC001237089017 1042030571 /nfs/dbraw/zinc/03/05/71/1042030571.db2.gz DGKMQFVUROCXLT-UHFFFAOYSA-N 2 2 380.374 3.823 20 10 GHCDLP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1)CC1CC1 ZINC001237089017 1042030573 /nfs/dbraw/zinc/03/05/73/1042030573.db2.gz DGKMQFVUROCXLT-UHFFFAOYSA-N 2 2 380.374 3.823 20 10 GHCDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(-c3ccc(F)cc3)ccc1O)CC2 ZINC001237642801 1042301145 /nfs/dbraw/zinc/30/11/45/1042301145.db2.gz HHKXENSLMMYGIJ-UHFFFAOYSA-N 2 2 383.467 3.828 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cc(F)cc(F)c3O)cc2)C[C@H](C)O1 ZINC001308914215 1050164306 /nfs/dbraw/zinc/16/43/06/1050164306.db2.gz CCNSYQNYGMDWOK-IYBDPMFKSA-N 2 2 390.474 3.912 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cc(F)cc(F)c3O)cc2)C[C@H](C)O1 ZINC001308914215 1050164315 /nfs/dbraw/zinc/16/43/15/1050164315.db2.gz CCNSYQNYGMDWOK-IYBDPMFKSA-N 2 2 390.474 3.912 20 10 GHCDLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cc(F)cc(F)c3O)cc2)C[C@H](C)O1 ZINC001308914215 1050164330 /nfs/dbraw/zinc/16/43/30/1050164330.db2.gz CCNSYQNYGMDWOK-IYBDPMFKSA-N 2 2 390.474 3.912 20 10 GHCDLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cc(F)cc(F)c3O)cc2)C[C@H](C)O1 ZINC001308914215 1050164338 /nfs/dbraw/zinc/16/43/38/1050164338.db2.gz CCNSYQNYGMDWOK-IYBDPMFKSA-N 2 2 390.474 3.912 20 10 GHCDLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000849350191 1067815499 /nfs/dbraw/zinc/81/54/99/1067815499.db2.gz UHZQYUPPOSTWMI-OALUTQOASA-N 2 2 390.911 3.688 20 10 GHCDLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)c(F)c1O ZINC000276875694 843610445 /nfs/dbraw/zinc/61/04/45/843610445.db2.gz FNCYQDXIJHAQJM-CYBMUJFWSA-N 2 2 376.451 3.769 20 10 GHCDLP CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000850406225 876888588 /nfs/dbraw/zinc/88/85/88/876888588.db2.gz XWOPYBNXTNSTPZ-JOCHJYFZSA-N 2 2 393.575 3.790 20 10 GHCDLP CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000850406225 876888595 /nfs/dbraw/zinc/88/85/95/876888595.db2.gz XWOPYBNXTNSTPZ-JOCHJYFZSA-N 2 2 393.575 3.790 20 10 GHCDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850556388 877023313 /nfs/dbraw/zinc/02/33/13/877023313.db2.gz HCLZAGNEMNAIJG-XLIONFOSSA-N 2 2 375.532 3.720 20 10 GHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1O ZINC000808697665 886717229 /nfs/dbraw/zinc/71/72/29/886717229.db2.gz QPYTZSAUMSYPKF-DJPFJPOOSA-N 2 2 388.939 3.888 20 10 GHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1O ZINC000808697665 886717247 /nfs/dbraw/zinc/71/72/47/886717247.db2.gz QPYTZSAUMSYPKF-DJPFJPOOSA-N 2 2 388.939 3.888 20 10 GHCDLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000794832805 888282186 /nfs/dbraw/zinc/28/21/86/888282186.db2.gz CCRLETVDCZRQCG-LRYGQEGESA-N 2 2 377.960 3.844 20 10 GHCDLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000794832823 888282260 /nfs/dbraw/zinc/28/22/60/888282260.db2.gz CCRLETVDCZRQCG-MUYFXNHWSA-N 2 2 377.960 3.844 20 10 GHCDLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939197 895969140 /nfs/dbraw/zinc/96/91/40/895969140.db2.gz AIXJBRRIFGIGHX-DNQXCXABSA-N 2 2 390.531 3.730 20 10 GHCDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942365 895970223 /nfs/dbraw/zinc/97/02/23/895970223.db2.gz OLKILWFLDYWTGU-FUHWJXTLSA-N 2 2 388.537 3.821 20 10 GHCDLP COc1ccc(N2CCC([NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)CC2)cc1 ZINC000883386532 897548243 /nfs/dbraw/zinc/54/82/43/897548243.db2.gz HWNHSXXKTZDADZ-QHCPKHFHSA-N 2 2 376.504 3.892 20 10 GHCDLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Cl)c(Cl)cc1O ZINC000192681028 908812462 /nfs/dbraw/zinc/81/24/62/908812462.db2.gz CHZLEDQRMKYNRP-ZDUSSCGKSA-N 2 2 395.334 3.697 20 10 GHCDLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Cl)ccc1O ZINC000775510267 918443821 /nfs/dbraw/zinc/44/38/21/918443821.db2.gz ZDJYNFRZVLBYJP-YYWHXJBOSA-N 2 2 388.939 3.969 20 10 GHCDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Cl)ccc1O ZINC000775510267 918443836 /nfs/dbraw/zinc/44/38/36/918443836.db2.gz ZDJYNFRZVLBYJP-YYWHXJBOSA-N 2 2 388.939 3.969 20 10 GHCDLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c(O)c1C ZINC000756463741 1023665630 /nfs/dbraw/zinc/66/56/30/1023665630.db2.gz CRXLEQWJWQRKPC-LJQANCHMSA-N 2 2 384.520 3.571 20 10 GHCDLP Oc1cccc(Br)c1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140100482 1026879716 /nfs/dbraw/zinc/87/97/16/1026879716.db2.gz QSNCSIPJKNZFIQ-OKILXGFUSA-N 2 2 393.350 3.780 20 10 GHCDLP Oc1cccc(Br)c1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140100482 1026879723 /nfs/dbraw/zinc/87/97/23/1026879723.db2.gz QSNCSIPJKNZFIQ-OKILXGFUSA-N 2 2 393.350 3.780 20 10 GHCDLP Oc1cccc(Br)c1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140100482 1026879729 /nfs/dbraw/zinc/87/97/29/1026879729.db2.gz QSNCSIPJKNZFIQ-OKILXGFUSA-N 2 2 393.350 3.780 20 10 GHCDLP Oc1cccc(Br)c1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140100482 1026879733 /nfs/dbraw/zinc/87/97/33/1026879733.db2.gz QSNCSIPJKNZFIQ-OKILXGFUSA-N 2 2 393.350 3.780 20 10 GHCDLP Oc1ccc(Br)cc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203640097 1027499311 /nfs/dbraw/zinc/49/93/11/1027499311.db2.gz ROXNEQKCGQPIIL-GJZGRUSLSA-N 2 2 393.350 3.780 20 10 GHCDLP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841045101 1028066043 /nfs/dbraw/zinc/06/60/43/1028066043.db2.gz HSIIYRMDJZKYRC-VGOFRKELSA-N 2 2 382.552 3.883 20 10 GHCDLP Oc1cc(F)c(F)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001142512754 1029014894 /nfs/dbraw/zinc/01/48/94/1029014894.db2.gz JZPNXECZMIOXTC-UHFFFAOYSA-N 2 2 394.487 3.599 20 10 GHCDLP Oc1cc(F)c(F)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001142512754 1029014911 /nfs/dbraw/zinc/01/49/11/1029014911.db2.gz JZPNXECZMIOXTC-UHFFFAOYSA-N 2 2 394.487 3.599 20 10 GHCDLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CC1 ZINC001231587611 1034741035 /nfs/dbraw/zinc/74/10/35/1034741035.db2.gz WQBZUAOSTXIQQD-UHFFFAOYSA-N 2 2 396.531 3.785 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001236669046 1041816309 /nfs/dbraw/zinc/81/63/09/1041816309.db2.gz GAEKUNLHDXKCHC-OAHLLOKOSA-N 2 2 377.282 3.820 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001236669046 1041816314 /nfs/dbraw/zinc/81/63/14/1041816314.db2.gz GAEKUNLHDXKCHC-OAHLLOKOSA-N 2 2 377.282 3.820 20 10 GHCDLP Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001237077000 1042023893 /nfs/dbraw/zinc/02/38/93/1042023893.db2.gz BOQVRVUSKLZOLN-UHFFFAOYSA-N 2 2 395.334 3.550 20 10 GHCDLP Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001237077000 1042023900 /nfs/dbraw/zinc/02/39/00/1042023900.db2.gz BOQVRVUSKLZOLN-UHFFFAOYSA-N 2 2 395.334 3.550 20 10 GHCDLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001237081515 1042026643 /nfs/dbraw/zinc/02/66/43/1042026643.db2.gz YHBUHBZSYFHKMT-FOIQADDNSA-N 2 2 399.362 3.879 20 10 GHCDLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001237081515 1042026647 /nfs/dbraw/zinc/02/66/47/1042026647.db2.gz YHBUHBZSYFHKMT-FOIQADDNSA-N 2 2 399.362 3.879 20 10 GHCDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001237081515 1042026651 /nfs/dbraw/zinc/02/66/51/1042026651.db2.gz YHBUHBZSYFHKMT-FOIQADDNSA-N 2 2 399.362 3.879 20 10 GHCDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001237081515 1042026664 /nfs/dbraw/zinc/02/66/64/1042026664.db2.gz YHBUHBZSYFHKMT-FOIQADDNSA-N 2 2 399.362 3.879 20 10 GHCDLP Oc1cc(Cl)c(Cl)cc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001279663725 1047903882 /nfs/dbraw/zinc/90/38/82/1047903882.db2.gz CBFXFRPESHLOQZ-UHFFFAOYSA-N 2 2 381.307 3.520 20 10 GHCDLP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC000740899034 866088067 /nfs/dbraw/zinc/08/80/67/866088067.db2.gz NDUQZIJSESBXSC-FYYLOGMGSA-N 2 2 399.554 3.645 20 10 GHCDLP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC000740899034 866088082 /nfs/dbraw/zinc/08/80/82/866088082.db2.gz NDUQZIJSESBXSC-FYYLOGMGSA-N 2 2 399.554 3.645 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cc4ccncc4s3)CC2)cc1 ZINC000850013554 876599016 /nfs/dbraw/zinc/59/90/16/876599016.db2.gz HTCWMXFAMODXAD-UHFFFAOYSA-N 2 2 396.560 3.607 20 10 GHCDLP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810209416 888321710 /nfs/dbraw/zinc/32/17/10/888321710.db2.gz QUHWSFQKNGTVQA-GOSISDBHSA-N 2 2 387.490 3.869 20 10 GHCDLP CSC1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC[NH+](C)CC1 ZINC000810253167 888353599 /nfs/dbraw/zinc/35/35/99/888353599.db2.gz NJVHRDIZJMZAJX-LLVKDONJSA-N 2 2 391.350 3.772 20 10 GHCDLP C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763339402 888513607 /nfs/dbraw/zinc/51/36/07/888513607.db2.gz QQUUWOQVQIEJMT-LAUBAEHRSA-N 2 2 393.531 3.749 20 10 GHCDLP C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763339402 888513616 /nfs/dbraw/zinc/51/36/16/888513616.db2.gz QQUUWOQVQIEJMT-LAUBAEHRSA-N 2 2 393.531 3.749 20 10 GHCDLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCSc3nccs3)CC2)cc1 ZINC000132247859 897735048 /nfs/dbraw/zinc/73/50/48/897735048.db2.gz DCIAHICCVQRKSW-UHFFFAOYSA-N 2 2 376.595 3.950 20 10 GHCDLP COc1cccc([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000846141089 902746999 /nfs/dbraw/zinc/74/69/99/902746999.db2.gz KSGAFQVRRMNIJX-HXUWFJFHSA-N 2 2 397.563 3.649 20 10 GHCDLP COC(=O)[C@H]1CCC[C@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC1 ZINC001172799049 905872426 /nfs/dbraw/zinc/87/24/26/905872426.db2.gz OGPZMHXWVQNYSE-RZTYQLBFSA-N 2 2 398.503 3.550 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)c(Cl)cc1O ZINC000192645217 908809835 /nfs/dbraw/zinc/80/98/35/908809835.db2.gz VZBDDXVGGHSAKT-ZDUSSCGKSA-N 2 2 395.334 3.697 20 10 GHCDLP Cc1ccc(O)c([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000756430739 1023644688 /nfs/dbraw/zinc/64/46/88/1023644688.db2.gz KTEGLZIZNVBHEJ-OAQYLSRUSA-N 2 2 381.564 3.949 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000756504678 1023688411 /nfs/dbraw/zinc/68/84/11/1023688411.db2.gz PQGJNJGRPFMHPY-HKUYNNGSSA-N 2 2 382.504 3.742 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000756504678 1023688417 /nfs/dbraw/zinc/68/84/17/1023688417.db2.gz PQGJNJGRPFMHPY-HKUYNNGSSA-N 2 2 382.504 3.742 20 10 GHCDLP COc1cc2[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2c(OC)c1 ZINC001156659339 1033163244 /nfs/dbraw/zinc/16/32/44/1033163244.db2.gz KJYSEKZXRLAQHN-UHFFFAOYSA-N 2 2 392.503 3.616 20 10 GHCDLP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC1)C2 ZINC001138498917 1024931297 /nfs/dbraw/zinc/93/12/97/1024931297.db2.gz MPYXAPZPAXZXFJ-UHFFFAOYSA-N 2 2 391.559 3.546 20 10 GHCDLP c1ccc2c(c1)CC[N@H+](C1CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC1)C2 ZINC001138498917 1024931305 /nfs/dbraw/zinc/93/13/05/1024931305.db2.gz MPYXAPZPAXZXFJ-UHFFFAOYSA-N 2 2 391.559 3.546 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1 ZINC001203939934 1027734164 /nfs/dbraw/zinc/73/41/64/1027734164.db2.gz GLLGQXINARLLSP-UHFFFAOYSA-N 2 2 397.563 3.993 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1 ZINC001203939934 1027734183 /nfs/dbraw/zinc/73/41/83/1027734183.db2.gz GLLGQXINARLLSP-UHFFFAOYSA-N 2 2 397.563 3.993 20 10 GHCDLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4ccccc4c3O)CC2)C1 ZINC001231879840 1034963780 /nfs/dbraw/zinc/96/37/80/1034963780.db2.gz RUHPHZNXXNTFCL-HXUWFJFHSA-N 2 2 396.531 3.785 20 10 GHCDLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4ccccc4c3O)CC2)C1 ZINC001231879840 1034963784 /nfs/dbraw/zinc/96/37/84/1034963784.db2.gz RUHPHZNXXNTFCL-HXUWFJFHSA-N 2 2 396.531 3.785 20 10 GHCDLP C[NH+]1CCC(C2CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)CC1 ZINC001235069397 1040560659 /nfs/dbraw/zinc/56/06/59/1040560659.db2.gz SQYRKKCSLCXABF-UHFFFAOYSA-N 2 2 385.321 3.848 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001236669039 1041815884 /nfs/dbraw/zinc/81/58/84/1041815884.db2.gz GAEKUNLHDXKCHC-HNNXBMFYSA-N 2 2 377.282 3.820 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001236669039 1041815890 /nfs/dbraw/zinc/81/58/90/1041815890.db2.gz GAEKUNLHDXKCHC-HNNXBMFYSA-N 2 2 377.282 3.820 20 10 GHCDLP COCC[N@H+](Cc1cc(OCc2ccccc2)ccc1O)C1CC[NH+](C)CC1 ZINC001236787422 1041892587 /nfs/dbraw/zinc/89/25/87/1041892587.db2.gz XUTQHUXBLLLIPI-UHFFFAOYSA-N 2 2 384.520 3.514 20 10 GHCDLP COCC[N@@H+](Cc1cc(OCc2ccccc2)ccc1O)C1CC[NH+](C)CC1 ZINC001236787422 1041892594 /nfs/dbraw/zinc/89/25/94/1041892594.db2.gz XUTQHUXBLLLIPI-UHFFFAOYSA-N 2 2 384.520 3.514 20 10 GHCDLP Oc1cc(Cl)c(F)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237937181 1042427978 /nfs/dbraw/zinc/42/79/78/1042427978.db2.gz NEZKARSESXCLHM-WBVHZDCISA-N 2 2 375.875 3.534 20 10 GHCDLP Oc1cc(Cl)c(F)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237937181 1042427981 /nfs/dbraw/zinc/42/79/81/1042427981.db2.gz NEZKARSESXCLHM-WBVHZDCISA-N 2 2 375.875 3.534 20 10 GHCDLP Oc1cc(Cl)c(F)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237937181 1042427984 /nfs/dbraw/zinc/42/79/84/1042427984.db2.gz NEZKARSESXCLHM-WBVHZDCISA-N 2 2 375.875 3.534 20 10 GHCDLP Oc1cc(Cl)c(F)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237937181 1042427987 /nfs/dbraw/zinc/42/79/87/1042427987.db2.gz NEZKARSESXCLHM-WBVHZDCISA-N 2 2 375.875 3.534 20 10 GHCDLP COc1ccc(O)c([C@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000185508889 860858961 /nfs/dbraw/zinc/85/89/61/860858961.db2.gz BNXHDFMTMMLVRU-ROUUACIJSA-N 2 2 384.520 3.951 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc4cnccc4c3)CC2)cc1 ZINC000785412467 877044868 /nfs/dbraw/zinc/04/48/68/877044868.db2.gz GKLAQGZLXCWZFD-UHFFFAOYSA-N 2 2 390.531 3.545 20 10 GHCDLP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1cccc(Cl)c1O ZINC000806131499 884349159 /nfs/dbraw/zinc/34/91/59/884349159.db2.gz KGFBHDAOLNSCPD-LJQANCHMSA-N 2 2 388.943 3.823 20 10 GHCDLP c1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000914876160 885095421 /nfs/dbraw/zinc/09/54/21/885095421.db2.gz HBRWFUJTRMWLGR-UHFFFAOYSA-N 2 2 392.591 3.979 20 10 GHCDLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(C)cc1O ZINC000794801805 888072757 /nfs/dbraw/zinc/07/27/57/888072757.db2.gz BNHQOKQXTTXTLQ-NRFANRHFSA-N 2 2 384.520 3.653 20 10 GHCDLP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683828 888526521 /nfs/dbraw/zinc/52/65/21/888526521.db2.gz BYDCLTPLBOZXMB-RPWUZVMVSA-N 2 2 379.548 3.666 20 10 GHCDLP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683828 888526532 /nfs/dbraw/zinc/52/65/32/888526532.db2.gz BYDCLTPLBOZXMB-RPWUZVMVSA-N 2 2 379.548 3.666 20 10 GHCDLP OC1CCN(c2ccc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc2)CC1 ZINC000877525874 893667017 /nfs/dbraw/zinc/66/70/17/893667017.db2.gz AUJFMQFKPQGTHO-UHFFFAOYSA-N 2 2 382.552 3.537 20 10 GHCDLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Br)c(F)cc1O ZINC000817939529 895968836 /nfs/dbraw/zinc/96/88/36/895968836.db2.gz DPJKBVDUDRXKLP-LBPRGKRZSA-N 2 2 382.277 3.519 20 10 GHCDLP COc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)C2)cc1 ZINC000818219272 896085426 /nfs/dbraw/zinc/08/54/26/896085426.db2.gz AZUDXXZZQQPOSE-MRXNPFEDSA-N 2 2 385.474 3.528 20 10 GHCDLP COC(=O)CCCC[C@H](C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001173445482 906485846 /nfs/dbraw/zinc/48/58/46/906485846.db2.gz PEBVZTSLLCLVOS-ITEAAPOESA-N 2 2 386.492 3.550 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C/C=C\c3ccccc3OC)CC2)cc1 ZINC000726607727 926762754 /nfs/dbraw/zinc/76/27/54/926762754.db2.gz YODPVYIXHOXHJV-YVMONPNESA-N 2 2 395.547 3.519 20 10 GHCDLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(N5CCCC5)cc4)CC3)C2)co1 ZINC001204328372 1032772366 /nfs/dbraw/zinc/77/23/66/1032772366.db2.gz TXOGGZAIHCTXRJ-UHFFFAOYSA-N 2 2 395.547 3.747 20 10 GHCDLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(N5CCCC5)cc4)CC3)C2)co1 ZINC001204328372 1032772387 /nfs/dbraw/zinc/77/23/87/1032772387.db2.gz TXOGGZAIHCTXRJ-UHFFFAOYSA-N 2 2 395.547 3.747 20 10 GHCDLP COc1ccc(O)c([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000756431566 1023645899 /nfs/dbraw/zinc/64/58/99/1023645899.db2.gz NOFJRABBKQERTB-HXUWFJFHSA-N 2 2 397.563 3.649 20 10 GHCDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cc(F)cc(F)c3O)cc2)CC1 ZINC000756435279 1023647994 /nfs/dbraw/zinc/64/79/94/1023647994.db2.gz YSOMWNYDJLRUOS-INIZCTEOSA-N 2 2 389.490 3.659 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000756510153 1023690256 /nfs/dbraw/zinc/69/02/56/1023690256.db2.gz NZGUICALXSCYSV-HOTGVXAUSA-N 2 2 388.533 3.803 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000756510153 1023690262 /nfs/dbraw/zinc/69/02/62/1023690262.db2.gz NZGUICALXSCYSV-HOTGVXAUSA-N 2 2 388.533 3.803 20 10 GHCDLP COc1ccc(N2CC[NH+](CCCNc3ccc([NH+](C)C)c(C)c3)CC2)cc1 ZINC001164336281 1026490710 /nfs/dbraw/zinc/49/07/10/1026490710.db2.gz WLTNZWHNMWKEHS-UHFFFAOYSA-N 2 2 382.552 3.694 20 10 GHCDLP Oc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001203655773 1027510000 /nfs/dbraw/zinc/51/00/00/1027510000.db2.gz CPXGXTYTDMNHET-UHFFFAOYSA-N 2 2 376.884 3.506 20 10 GHCDLP Oc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001203655773 1027510015 /nfs/dbraw/zinc/51/00/15/1027510015.db2.gz CPXGXTYTDMNHET-UHFFFAOYSA-N 2 2 376.884 3.506 20 10 GHCDLP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045895 1028064985 /nfs/dbraw/zinc/06/49/85/1028064985.db2.gz SFWYLTIBLAMYBJ-JOCHJYFZSA-N 2 2 376.504 3.613 20 10 GHCDLP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046245 1028068319 /nfs/dbraw/zinc/06/83/19/1028068319.db2.gz YJXUOFKWKJCVNU-QRWLVFNGSA-N 2 2 377.479 3.965 20 10 GHCDLP Oc1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Br)cc1C(F)(F)F ZINC001222629128 1030249922 /nfs/dbraw/zinc/24/99/22/1030249922.db2.gz AHYMTXICGXKQKR-PHIMTYICSA-N 2 2 393.247 3.605 20 10 GHCDLP Oc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Br)cc1C(F)(F)F ZINC001222629128 1030249939 /nfs/dbraw/zinc/24/99/39/1030249939.db2.gz AHYMTXICGXKQKR-PHIMTYICSA-N 2 2 393.247 3.605 20 10 GHCDLP COc1ccc(Br)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001231555062 1034707640 /nfs/dbraw/zinc/70/76/40/1034707640.db2.gz HGDDSBQSUPISEU-ZDUSSCGKSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1ccc(Br)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001231555062 1034707655 /nfs/dbraw/zinc/70/76/55/1034707655.db2.gz HGDDSBQSUPISEU-ZDUSSCGKSA-N 2 2 393.281 3.520 20 10 GHCDLP Cc1cc(F)ccc1C[N@H+](Cc1cc(Cl)c(O)cc1O)C1CC[NH2+]CC1 ZINC001236521594 1041751451 /nfs/dbraw/zinc/75/14/51/1041751451.db2.gz KQJNDMMHFGYZBX-UHFFFAOYSA-N 2 2 378.875 3.953 20 10 GHCDLP Cc1cc(F)ccc1C[N@@H+](Cc1cc(Cl)c(O)cc1O)C1CC[NH2+]CC1 ZINC001236521594 1041751456 /nfs/dbraw/zinc/75/14/56/1041751456.db2.gz KQJNDMMHFGYZBX-UHFFFAOYSA-N 2 2 378.875 3.953 20 10 GHCDLP COc1ccccc1C[N@H+](Cc1c(O)cc(F)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709110 1041846369 /nfs/dbraw/zinc/84/63/69/1041846369.db2.gz DJWLKEZJEUWDQK-QAQDUYKDSA-N 2 2 376.447 3.951 20 10 GHCDLP COc1ccccc1C[N@@H+](Cc1c(O)cc(F)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709110 1041846375 /nfs/dbraw/zinc/84/63/75/1041846375.db2.gz DJWLKEZJEUWDQK-QAQDUYKDSA-N 2 2 376.447 3.951 20 10 GHCDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1cc3ccccc3cc1O)CC2 ZINC001236828038 1041919326 /nfs/dbraw/zinc/91/93/26/1041919326.db2.gz DCXCIDKUDZYPIJ-UHFFFAOYSA-N 2 2 378.520 3.943 20 10 GHCDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1cc3ccccc3cc1O)CC2 ZINC001236828038 1041919328 /nfs/dbraw/zinc/91/93/28/1041919328.db2.gz DCXCIDKUDZYPIJ-UHFFFAOYSA-N 2 2 378.520 3.943 20 10 GHCDLP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237082093 1042027485 /nfs/dbraw/zinc/02/74/85/1042027485.db2.gz OVZRQHITKZUYNS-MVCUKOFQSA-N 2 2 393.247 3.875 20 10 GHCDLP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237082093 1042027494 /nfs/dbraw/zinc/02/74/94/1042027494.db2.gz OVZRQHITKZUYNS-MVCUKOFQSA-N 2 2 393.247 3.875 20 10 GHCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c1O ZINC001323692903 1057001132 /nfs/dbraw/zinc/00/11/32/1057001132.db2.gz KOCIHEBSPIREEV-QGZVFWFLSA-N 2 2 387.955 3.952 20 10 GHCDLP C[N@@H+]1C[C@@H](C[NH2+]Cc2c(O)cccc2Br)[C@H](c2ccccc2)C1 ZINC001474189645 1074288173 /nfs/dbraw/zinc/28/81/73/1074288173.db2.gz MRSRATZFQPCYFR-WBVHZDCISA-N 2 2 375.310 3.590 20 10 GHCDLP C[N@H+]1C[C@@H](C[NH2+]Cc2c(O)cccc2Br)[C@H](c2ccccc2)C1 ZINC001474189645 1074288175 /nfs/dbraw/zinc/28/81/75/1074288175.db2.gz MRSRATZFQPCYFR-WBVHZDCISA-N 2 2 375.310 3.590 20 10 GHCDLP COc1cc[nH+]c(N2CC[NH+](Cc3c4c(ccc3O)oc3c4CCCC3)CC2)c1 ZINC000729468924 852098501 /nfs/dbraw/zinc/09/85/01/852098501.db2.gz ZKYMVBCQJIRVMU-UHFFFAOYSA-N 2 2 393.487 3.743 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(Cl)c(F)c3)CC2)cc1 ZINC000742673895 867463660 /nfs/dbraw/zinc/46/36/60/867463660.db2.gz UNVZNTCIOUBHRX-UHFFFAOYSA-N 2 2 391.918 3.790 20 10 GHCDLP COc1ccc(N2CCC([NH2+][C@H](Cc3[nH+]ccn3C)c3ccccc3)CC2)cc1 ZINC000766302232 868400240 /nfs/dbraw/zinc/40/02/40/868400240.db2.gz FSXCEAMMGVEABT-HSZRJFAPSA-N 2 2 390.531 3.971 20 10 GHCDLP CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000850406226 876888380 /nfs/dbraw/zinc/88/83/80/876888380.db2.gz XWOPYBNXTNSTPZ-QFIPXVFZSA-N 2 2 393.575 3.790 20 10 GHCDLP CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000850406226 876888384 /nfs/dbraw/zinc/88/83/84/876888384.db2.gz XWOPYBNXTNSTPZ-QFIPXVFZSA-N 2 2 393.575 3.790 20 10 GHCDLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Br)ccc1O ZINC000185025916 883399478 /nfs/dbraw/zinc/39/94/78/883399478.db2.gz KOWSNYHZITUAOL-ZDUSSCGKSA-N 2 2 376.298 3.869 20 10 GHCDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC001202504334 884685398 /nfs/dbraw/zinc/68/53/98/884685398.db2.gz DYBBRQIOJBFNGU-UHFFFAOYSA-N 2 2 397.538 3.807 20 10 GHCDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC001202504334 884685412 /nfs/dbraw/zinc/68/54/12/884685412.db2.gz DYBBRQIOJBFNGU-UHFFFAOYSA-N 2 2 397.538 3.807 20 10 GHCDLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)c3ccccc3O)CC2)cc1 ZINC001175418671 907541796 /nfs/dbraw/zinc/54/17/96/907541796.db2.gz NORCBLFBXKPTAF-IBGZPJMESA-N 2 2 395.547 3.511 20 10 GHCDLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1cc(Br)ccc1O ZINC000903381884 922979179 /nfs/dbraw/zinc/97/91/79/922979179.db2.gz ZJWLDTPIZFYXEI-DYVFJYSZSA-N 2 2 378.314 3.893 20 10 GHCDLP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cccc(Cl)c1 ZINC001117597480 933961396 /nfs/dbraw/zinc/96/13/96/933961396.db2.gz JYWJVLHYCWSZSK-HXUWFJFHSA-N 2 2 391.918 3.708 20 10 GHCDLP COc1cc(C[N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)cc(C[NH+](C)C)c1O ZINC001139258261 1026107798 /nfs/dbraw/zinc/10/77/98/1026107798.db2.gz OFGCALIFQIKLFE-LJQANCHMSA-N 2 2 390.524 3.892 20 10 GHCDLP COc1cc(C[N@H+]2CCSC[C@@H]2c2ccc(F)cc2)cc(C[NH+](C)C)c1O ZINC001139258261 1026107808 /nfs/dbraw/zinc/10/78/08/1026107808.db2.gz OFGCALIFQIKLFE-LJQANCHMSA-N 2 2 390.524 3.892 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)cc1 ZINC000841044293 1028065576 /nfs/dbraw/zinc/06/55/76/1028065576.db2.gz VLCRTSDQVKAAJU-FQEVSTJZSA-N 2 2 389.503 3.689 20 10 GHCDLP COc1cc(Cl)cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001233288366 1039068973 /nfs/dbraw/zinc/06/89/73/1039068973.db2.gz IIGJQPJKXSJAEA-GJZGRUSLSA-N 2 2 378.925 3.680 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c(O)c1 ZINC001235117229 1040608125 /nfs/dbraw/zinc/60/81/25/1040608125.db2.gz KWONYIMMXQFGFX-QHCPKHFHSA-N 2 2 389.584 3.753 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c(O)c1 ZINC001235117229 1040608139 /nfs/dbraw/zinc/60/81/39/1040608139.db2.gz KWONYIMMXQFGFX-QHCPKHFHSA-N 2 2 389.584 3.753 20 10 GHCDLP COc1cc(O)c(C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)c(OC)c1 ZINC001236455892 1041720313 /nfs/dbraw/zinc/72/03/13/1041720313.db2.gz YRQTYZRZASIFLB-UHFFFAOYSA-N 2 2 390.911 3.817 20 10 GHCDLP COc1cc(O)c(C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)c(OC)c1 ZINC001236455892 1041720316 /nfs/dbraw/zinc/72/03/16/1041720316.db2.gz YRQTYZRZASIFLB-UHFFFAOYSA-N 2 2 390.911 3.817 20 10 GHCDLP COc1cc(N(C)C)ccc1C[N@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236484066 1041735476 /nfs/dbraw/zinc/73/54/76/1041735476.db2.gz VIVUVBZOFFQKMW-UHFFFAOYSA-N 2 2 385.527 3.963 20 10 GHCDLP COc1cc(N(C)C)ccc1C[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236484066 1041735482 /nfs/dbraw/zinc/73/54/82/1041735482.db2.gz VIVUVBZOFFQKMW-UHFFFAOYSA-N 2 2 385.527 3.963 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236647981 1041802683 /nfs/dbraw/zinc/80/26/83/1041802683.db2.gz OGXOTFLCAFWYFZ-INIZCTEOSA-N 2 2 383.330 3.660 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236647981 1041802689 /nfs/dbraw/zinc/80/26/89/1041802689.db2.gz OGXOTFLCAFWYFZ-INIZCTEOSA-N 2 2 383.330 3.660 20 10 GHCDLP Cc1ccc([C@]2(C)C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)CCO2)cc1 ZINC001236938283 1041964717 /nfs/dbraw/zinc/96/47/17/1041964717.db2.gz LEDPUTSBJJCDHU-DEOSSOPVSA-N 2 2 397.538 3.634 20 10 GHCDLP Cc1ccc([C@]2(C)C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)CCO2)cc1 ZINC001236938283 1041964720 /nfs/dbraw/zinc/96/47/20/1041964720.db2.gz LEDPUTSBJJCDHU-DEOSSOPVSA-N 2 2 397.538 3.634 20 10 GHCDLP C[N@H+](Cc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237098878 1042034899 /nfs/dbraw/zinc/03/48/99/1042034899.db2.gz MKIXPURNTSAMCT-UHFFFAOYSA-N 2 2 394.382 3.894 20 10 GHCDLP C[N@@H+](Cc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237098878 1042034903 /nfs/dbraw/zinc/03/49/03/1042034903.db2.gz MKIXPURNTSAMCT-UHFFFAOYSA-N 2 2 394.382 3.894 20 10 GHCDLP CSC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CC1 ZINC001237100949 1042035534 /nfs/dbraw/zinc/03/55/34/1042035534.db2.gz WZOHACSDGBOZBJ-UHFFFAOYSA-N 2 2 398.414 3.528 20 10 GHCDLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)C1 ZINC001237679616 1042320912 /nfs/dbraw/zinc/32/09/12/1042320912.db2.gz KBZJFURQMUFIHG-INIZCTEOSA-N 2 2 394.943 3.594 20 10 GHCDLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)C1 ZINC001237679616 1042320918 /nfs/dbraw/zinc/32/09/18/1042320918.db2.gz KBZJFURQMUFIHG-INIZCTEOSA-N 2 2 394.943 3.594 20 10 GHCDLP COc1ccc(N2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)c(C)c1 ZINC001256610308 1043574749 /nfs/dbraw/zinc/57/47/49/1043574749.db2.gz BCQKTMRJPWVVTQ-UHFFFAOYSA-N 2 2 379.548 3.790 20 10 GHCDLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(N4CCCC4)cc3)[nH+]c2)CC1 ZINC001319266972 1055138689 /nfs/dbraw/zinc/13/86/89/1055138689.db2.gz QJGNHCCXHBZSLT-UHFFFAOYSA-N 2 2 379.552 3.824 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001320307097 1055747363 /nfs/dbraw/zinc/74/73/63/1055747363.db2.gz UJKQNBPLSHGYKV-CQSZACIVSA-N 2 2 378.314 3.651 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001320307097 1055747370 /nfs/dbraw/zinc/74/73/70/1055747370.db2.gz UJKQNBPLSHGYKV-CQSZACIVSA-N 2 2 378.314 3.651 20 10 GHCDLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)n1-c1cccc(C(C)C)c1 ZINC001300613763 1056660454 /nfs/dbraw/zinc/66/04/54/1056660454.db2.gz SBMTZYNAZSOGJZ-UHFFFAOYSA-N 2 2 398.595 3.831 20 10 GHCDLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)n1-c1cccc(C(C)C)c1 ZINC001300613763 1056660462 /nfs/dbraw/zinc/66/04/62/1056660462.db2.gz SBMTZYNAZSOGJZ-UHFFFAOYSA-N 2 2 398.595 3.831 20 10 GHCDLP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC001337786792 1058262496 /nfs/dbraw/zinc/26/24/96/1058262496.db2.gz YJEWTVSNHFOCSY-AZUAARDMSA-N 2 2 396.531 3.750 20 10 GHCDLP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000796662746 849362394 /nfs/dbraw/zinc/36/23/94/849362394.db2.gz HNMAJXITHXJTJG-QZTJIDSGSA-N 2 2 377.529 3.622 20 10 GHCDLP CCC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)Cc1ccccc1O ZINC000743869803 868466421 /nfs/dbraw/zinc/46/64/21/868466421.db2.gz ARUTWYYYGRGHAP-FQEVSTJZSA-N 2 2 395.547 3.510 20 10 GHCDLP CCC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)Cc1ccccc1O ZINC000743869803 868466425 /nfs/dbraw/zinc/46/64/25/868466425.db2.gz ARUTWYYYGRGHAP-FQEVSTJZSA-N 2 2 395.547 3.510 20 10 GHCDLP COc1ccsc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000769958026 874364381 /nfs/dbraw/zinc/36/43/81/874364381.db2.gz BRCGXUNJTLUJDL-QGZVFWFLSA-N 2 2 389.565 3.628 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC001199038599 874769569 /nfs/dbraw/zinc/76/95/69/874769569.db2.gz TYHKMLRSARHHGY-UHFFFAOYSA-N 2 2 391.918 3.790 20 10 GHCDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000792277033 881028623 /nfs/dbraw/zinc/02/86/23/881028623.db2.gz OMOFDVFEKZAVPZ-LJQANCHMSA-N 2 2 376.504 3.868 20 10 GHCDLP OC1CCN(c2ccc(C[NH2+]Cc3c(Cl)cccc3-n3cc[nH+]c3)cc2)CC1 ZINC000877558041 893688714 /nfs/dbraw/zinc/68/87/14/893688714.db2.gz USWMGRQUMLCPNO-UHFFFAOYSA-N 2 2 396.922 3.777 20 10 GHCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1O ZINC000815582756 894022196 /nfs/dbraw/zinc/02/21/96/894022196.db2.gz OUJTXZXQEDGMFH-MGPUTAFESA-N 2 2 394.437 3.699 20 10 GHCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1O ZINC000815582756 894022216 /nfs/dbraw/zinc/02/22/16/894022216.db2.gz OUJTXZXQEDGMFH-MGPUTAFESA-N 2 2 394.437 3.699 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccncc3Cl)cc2F)CC1 ZINC000817578365 895746761 /nfs/dbraw/zinc/74/67/61/895746761.db2.gz UPPQNPDERPZJOE-HNNXBMFYSA-N 2 2 376.907 3.867 20 10 GHCDLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939136 895969107 /nfs/dbraw/zinc/96/91/07/895969107.db2.gz ZLBUMNXKSHCEQA-HRAATJIYSA-N 2 2 383.540 3.633 20 10 GHCDLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000818614688 896217535 /nfs/dbraw/zinc/21/75/35/896217535.db2.gz DSOPVPXDBZVLRH-DKLXNKCPSA-N 2 2 395.547 3.613 20 10 GHCDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825376134 900133516 /nfs/dbraw/zinc/13/35/16/900133516.db2.gz VHICNGZEUADDQS-CQSZACIVSA-N 2 2 390.325 3.865 20 10 GHCDLP COc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1O ZINC000846170303 902739931 /nfs/dbraw/zinc/73/99/31/902739931.db2.gz WQFFUAJELIJZQC-INIZCTEOSA-N 2 2 397.519 3.674 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000782518107 931251903 /nfs/dbraw/zinc/25/19/03/931251903.db2.gz DEPRRUKESWIMBM-MSOLQXFVSA-N 2 2 399.501 3.918 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(F)cc(F)c3O)cc2F)CC1 ZINC000756554667 1023712408 /nfs/dbraw/zinc/71/24/08/1023712408.db2.gz PDLYKRHOPNXSFM-AWEZNQCLSA-N 2 2 393.453 3.802 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000756596924 1023728265 /nfs/dbraw/zinc/72/82/65/1023728265.db2.gz IMPHQEKOFJYABC-DKICVRJWSA-N 2 2 388.533 3.974 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000756596924 1023728273 /nfs/dbraw/zinc/72/82/73/1023728273.db2.gz IMPHQEKOFJYABC-DKICVRJWSA-N 2 2 388.533 3.974 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000756654830 1023756590 /nfs/dbraw/zinc/75/65/90/1023756590.db2.gz MORQABKWOLJDRZ-BZSNNMDCSA-N 2 2 396.531 3.986 20 10 GHCDLP CCN(CC)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(OC)c1 ZINC001138385907 1024757949 /nfs/dbraw/zinc/75/79/49/1024757949.db2.gz CWIHYMVCXCKMAH-SZPZYZBQSA-N 2 2 394.563 3.500 20 10 GHCDLP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(OC)c1 ZINC001138385907 1024757965 /nfs/dbraw/zinc/75/79/65/1024757965.db2.gz CWIHYMVCXCKMAH-SZPZYZBQSA-N 2 2 394.563 3.500 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c(OC)c1 ZINC001138385907 1024757980 /nfs/dbraw/zinc/75/79/80/1024757980.db2.gz CWIHYMVCXCKMAH-SZPZYZBQSA-N 2 2 394.563 3.500 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c(OC)c1 ZINC001138385907 1024757989 /nfs/dbraw/zinc/75/79/89/1024757989.db2.gz CWIHYMVCXCKMAH-SZPZYZBQSA-N 2 2 394.563 3.500 20 10 GHCDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@H](C)O1 ZINC001461013649 1069336134 /nfs/dbraw/zinc/33/61/34/1069336134.db2.gz KYZYBTCVSSALDO-OYRHEFFESA-N 2 2 393.575 3.838 20 10 GHCDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@H](C)O1 ZINC001461013649 1069336151 /nfs/dbraw/zinc/33/61/51/1069336151.db2.gz KYZYBTCVSSALDO-OYRHEFFESA-N 2 2 393.575 3.838 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000841046078 1028069018 /nfs/dbraw/zinc/06/90/18/1028069018.db2.gz VSMWIONYLVEYJR-UIFIKXQLSA-N 2 2 382.508 3.662 20 10 GHCDLP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046243 1028069149 /nfs/dbraw/zinc/06/91/49/1028069149.db2.gz YJXUOFKWKJCVNU-FOIQADDNSA-N 2 2 377.479 3.965 20 10 GHCDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001461431628 1069547401 /nfs/dbraw/zinc/54/74/01/1069547401.db2.gz MBGOTJOTDPNAFU-VXFXUCHBSA-N 2 2 379.548 3.647 20 10 GHCDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001461431628 1069547410 /nfs/dbraw/zinc/54/74/10/1069547410.db2.gz MBGOTJOTDPNAFU-VXFXUCHBSA-N 2 2 379.548 3.647 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@@H]1C[NH3+] ZINC001206024066 1033691386 /nfs/dbraw/zinc/69/13/86/1033691386.db2.gz HEZYCBZCQCMKQO-GHMZBOCLSA-N 2 2 395.263 3.980 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@@H]1C[NH3+] ZINC001206024066 1033691396 /nfs/dbraw/zinc/69/13/96/1033691396.db2.gz HEZYCBZCQCMKQO-GHMZBOCLSA-N 2 2 395.263 3.980 20 10 GHCDLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4ccccc4c2O)CC3)n1 ZINC001231881501 1034964930 /nfs/dbraw/zinc/96/49/30/1034964930.db2.gz WYUJLWCMOQEFEY-UHFFFAOYSA-N 2 2 390.531 3.910 20 10 GHCDLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4ccccc4c2O)CC3)n1 ZINC001231881501 1034964931 /nfs/dbraw/zinc/96/49/31/1034964931.db2.gz WYUJLWCMOQEFEY-UHFFFAOYSA-N 2 2 390.531 3.910 20 10 GHCDLP Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)cc1 ZINC001247868275 1038437260 /nfs/dbraw/zinc/43/72/60/1038437260.db2.gz OGMDIWRVCWVHLR-IBGZPJMESA-N 2 2 377.492 3.691 20 10 GHCDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727645645 1048238065 /nfs/dbraw/zinc/23/80/65/1048238065.db2.gz XKPMWHOHFRZNBP-HXUWFJFHSA-N 2 2 385.512 3.986 20 10 GHCDLP CCn1c2cc(F)ccc2[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323971667 1057046900 /nfs/dbraw/zinc/04/69/00/1057046900.db2.gz DPGNLJBDNCVENB-UHFFFAOYSA-N 2 2 385.462 3.698 20 10 GHCDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1O ZINC000184992155 865099685 /nfs/dbraw/zinc/09/96/85/865099685.db2.gz SOPCTQLMVZQALX-LAUBAEHRSA-N 2 2 376.500 3.615 20 10 GHCDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1O ZINC000184992155 865099699 /nfs/dbraw/zinc/09/96/99/865099699.db2.gz SOPCTQLMVZQALX-LAUBAEHRSA-N 2 2 376.500 3.615 20 10 GHCDLP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1N1CCCCC1 ZINC000769499149 874106146 /nfs/dbraw/zinc/10/61/46/874106146.db2.gz NDHGVSVSUAAELX-HXUWFJFHSA-N 2 2 386.540 3.893 20 10 GHCDLP O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1N1CCCCC1 ZINC000769499149 874106149 /nfs/dbraw/zinc/10/61/49/874106149.db2.gz NDHGVSVSUAAELX-HXUWFJFHSA-N 2 2 386.540 3.893 20 10 GHCDLP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850558171 877025176 /nfs/dbraw/zinc/02/51/76/877025176.db2.gz UYHQNMNNSYUOKD-FYYLOGMGSA-N 2 2 380.532 3.909 20 10 GHCDLP Oc1c(CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc(Cl)c2cccnc12 ZINC001168521434 890233292 /nfs/dbraw/zinc/23/32/92/890233292.db2.gz BUXYFRUOWRFSOX-UHFFFAOYSA-N 2 2 379.851 3.540 20 10 GHCDLP COc1ccc([C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000817903625 895955337 /nfs/dbraw/zinc/95/53/37/895955337.db2.gz SADYYVFUJIQBKA-RPWUZVMVSA-N 2 2 395.547 3.756 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172182999 905386729 /nfs/dbraw/zinc/38/67/29/905386729.db2.gz AVUJKZDXHJDRAH-FQEVSTJZSA-N 2 2 397.588 3.514 20 10 GHCDLP COc1c(O)c(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000365828389 921193599 /nfs/dbraw/zinc/19/35/99/921193599.db2.gz UXNKNGXLFUMQDE-OAHLLOKOSA-N 2 2 385.464 3.624 20 10 GHCDLP Oc1c(Br)cccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192932399 908022379 /nfs/dbraw/zinc/02/23/79/908022379.db2.gz BJIWDVDZJAIFEJ-MRXNPFEDSA-N 2 2 375.310 3.766 20 10 GHCDLP Oc1c(Br)cccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192932399 908022398 /nfs/dbraw/zinc/02/23/98/908022398.db2.gz BJIWDVDZJAIFEJ-MRXNPFEDSA-N 2 2 375.310 3.766 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1nccn1-c1ccccc1 ZINC001117598902 933961246 /nfs/dbraw/zinc/96/12/46/933961246.db2.gz VFKLYFLZUZCZNR-GOSISDBHSA-N 2 2 393.510 3.614 20 10 GHCDLP Cc1ccc(-c2nc(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)co2)cc1 ZINC001120040215 934441747 /nfs/dbraw/zinc/44/17/47/934441747.db2.gz BDWALVJOJMSDJH-UHFFFAOYSA-N 2 2 394.494 3.831 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4cccc(O)c43)CC2)cc1 ZINC000834886438 1021614433 /nfs/dbraw/zinc/61/44/33/1021614433.db2.gz LDLOXDBUPXYANY-NRFANRHFSA-N 2 2 379.504 3.592 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccc(C)cc3O)CC2)cc1 ZINC000834886116 1021617976 /nfs/dbraw/zinc/61/79/76/1021617976.db2.gz ICIXFEJCWLWTDG-KRWDZBQOSA-N 2 2 381.520 3.974 20 10 GHCDLP CN(C)c1ccc(/C=C/CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000835043177 1021802038 /nfs/dbraw/zinc/80/20/38/1021802038.db2.gz NPBKNNZUEGWJNY-AATRIKPKSA-N 2 2 379.552 3.803 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c2c1c(F)ccc2O ZINC000756605072 1023733556 /nfs/dbraw/zinc/73/35/56/1023733556.db2.gz QGRIOBIGROOESE-BEKAIBRUSA-N 2 2 384.495 3.552 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c2c1c(F)ccc2O ZINC000756605072 1023733561 /nfs/dbraw/zinc/73/35/61/1023733561.db2.gz QGRIOBIGROOESE-BEKAIBRUSA-N 2 2 384.495 3.552 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000756642613 1023751405 /nfs/dbraw/zinc/75/14/05/1023751405.db2.gz OOVQZXBBCZWYAT-FUHIMQAGSA-N 2 2 382.504 3.883 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000756642613 1023751408 /nfs/dbraw/zinc/75/14/08/1023751408.db2.gz OOVQZXBBCZWYAT-FUHIMQAGSA-N 2 2 382.504 3.883 20 10 GHCDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC001203639357 1027497969 /nfs/dbraw/zinc/49/79/69/1027497969.db2.gz BVUWYCCTYOLAJO-UHFFFAOYSA-N 2 2 376.298 3.597 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc(OCc3ccccn3)c2)cc1 ZINC000841041557 1028061163 /nfs/dbraw/zinc/06/11/63/1028061163.db2.gz DNRRVECOLPGICW-QHCPKHFHSA-N 2 2 376.504 3.516 20 10 GHCDLP CCOc1cc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000841040930 1028061510 /nfs/dbraw/zinc/06/15/10/1028061510.db2.gz WECWWEMSKOSXAM-SFHVURJKSA-N 2 2 377.916 3.603 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)cc1 ZINC000841043365 1028063476 /nfs/dbraw/zinc/06/34/76/1028063476.db2.gz RMWWFMJHHCNSOS-JOCHJYFZSA-N 2 2 375.520 3.705 20 10 GHCDLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2c(O)ccc4ccccc42)CC3)n1 ZINC001231588490 1034741467 /nfs/dbraw/zinc/74/14/67/1034741467.db2.gz MYVDJCMDTSOZKO-UHFFFAOYSA-N 2 2 390.531 3.910 20 10 GHCDLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2c(O)ccc4ccccc42)CC3)n1 ZINC001231588490 1034741481 /nfs/dbraw/zinc/74/14/81/1034741481.db2.gz MYVDJCMDTSOZKO-UHFFFAOYSA-N 2 2 390.531 3.910 20 10 GHCDLP COc1ccc(N2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(C)c1 ZINC001208951605 1035123089 /nfs/dbraw/zinc/12/30/89/1035123089.db2.gz ACDQCPNFLAVSJF-QFIPXVFZSA-N 2 2 379.548 3.648 20 10 GHCDLP COc1ccc(N2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(C)c1 ZINC001208951605 1035123095 /nfs/dbraw/zinc/12/30/95/1035123095.db2.gz ACDQCPNFLAVSJF-QFIPXVFZSA-N 2 2 379.548 3.648 20 10 GHCDLP COc1ccc2ccc(O)c(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c2c1 ZINC001234536982 1040109880 /nfs/dbraw/zinc/10/98/80/1040109880.db2.gz VDISVUGQLAKLCO-WOJBJXKFSA-N 2 2 389.499 3.513 20 10 GHCDLP Oc1ccc(Br)cc1C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275510 1042118683 /nfs/dbraw/zinc/11/86/83/1042118683.db2.gz PAILQPNTSLCTBU-UHFFFAOYSA-N 2 2 387.321 3.792 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2F)CC1 ZINC001319687658 1055397443 /nfs/dbraw/zinc/39/74/43/1055397443.db2.gz RHZCWVLZICSGKB-UHFFFAOYSA-N 2 2 398.482 3.650 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2F)CC1 ZINC001319687658 1055397456 /nfs/dbraw/zinc/39/74/56/1055397456.db2.gz RHZCWVLZICSGKB-UHFFFAOYSA-N 2 2 398.482 3.650 20 10 GHCDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001320181281 1055695491 /nfs/dbraw/zinc/69/54/91/1055695491.db2.gz WQXIGDPBBHVTFK-SFHVURJKSA-N 2 2 397.523 3.773 20 10 GHCDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001320181281 1055695494 /nfs/dbraw/zinc/69/54/94/1055695494.db2.gz WQXIGDPBBHVTFK-SFHVURJKSA-N 2 2 397.523 3.773 20 10 GHCDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC001474155339 1067589376 /nfs/dbraw/zinc/58/93/76/1067589376.db2.gz GDWSIJRIZCQKFZ-UHFFFAOYSA-N 2 2 393.575 3.792 20 10 GHCDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC001474155339 1067589381 /nfs/dbraw/zinc/58/93/81/1067589381.db2.gz GDWSIJRIZCQKFZ-UHFFFAOYSA-N 2 2 393.575 3.792 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccc(OC(C)C)c3)CC2)cc1 ZINC000742673847 867463221 /nfs/dbraw/zinc/46/32/21/867463221.db2.gz NKWYSMVPGQEPIL-UHFFFAOYSA-N 2 2 397.563 3.784 20 10 GHCDLP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(Br)cc(F)c2O)c1 ZINC001199383911 874958039 /nfs/dbraw/zinc/95/80/39/874958039.db2.gz KADJHKWIPJVFKY-UHFFFAOYSA-N 2 2 397.288 3.524 20 10 GHCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850556384 877022957 /nfs/dbraw/zinc/02/29/57/877022957.db2.gz HCLZAGNEMNAIJG-FXAWDEMLSA-N 2 2 375.532 3.720 20 10 GHCDLP Oc1ccc(Br)cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000238045491 878629668 /nfs/dbraw/zinc/62/96/68/878629668.db2.gz BYHACNBIUSABAA-UHFFFAOYSA-N 2 2 375.310 3.909 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763339400 888513077 /nfs/dbraw/zinc/51/30/77/888513077.db2.gz QQUUWOQVQIEJMT-DYESRHJHSA-N 2 2 393.531 3.749 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763339400 888513087 /nfs/dbraw/zinc/51/30/87/888513087.db2.gz QQUUWOQVQIEJMT-DYESRHJHSA-N 2 2 393.531 3.749 20 10 GHCDLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939195 895968289 /nfs/dbraw/zinc/96/82/89/895968289.db2.gz AIXJBRRIFGIGHX-BJKOFHAPSA-N 2 2 390.531 3.730 20 10 GHCDLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Br)cc(F)c1O ZINC000817939267 895968866 /nfs/dbraw/zinc/96/88/66/895968866.db2.gz BRXBPNCLNQZPER-LBPRGKRZSA-N 2 2 382.277 3.519 20 10 GHCDLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000796317147 914511165 /nfs/dbraw/zinc/51/11/65/914511165.db2.gz XQBMQDYFGCJTBA-AWEZNQCLSA-N 2 2 396.507 3.565 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902762541 922478781 /nfs/dbraw/zinc/47/87/81/922478781.db2.gz NWIMKFYZNCNRTF-QGZVFWFLSA-N 2 2 394.494 3.823 20 10 GHCDLP Oc1cccc(Cl)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001140339507 1021446688 /nfs/dbraw/zinc/44/66/88/1021446688.db2.gz VRIIVHORTWUOJQ-UHFFFAOYSA-N 2 2 376.884 3.506 20 10 GHCDLP Oc1cccc(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001140339507 1021446700 /nfs/dbraw/zinc/44/67/00/1021446700.db2.gz VRIIVHORTWUOJQ-UHFFFAOYSA-N 2 2 376.884 3.506 20 10 GHCDLP CN1CCCc2cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)ccc21 ZINC001138355375 1024719363 /nfs/dbraw/zinc/71/93/63/1024719363.db2.gz PFOGGQYJEIUSRE-UHFFFAOYSA-N 2 2 395.547 3.529 20 10 GHCDLP CN1CCCc2cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)ccc21 ZINC001138355375 1024719376 /nfs/dbraw/zinc/71/93/76/1024719376.db2.gz PFOGGQYJEIUSRE-UHFFFAOYSA-N 2 2 395.547 3.529 20 10 GHCDLP Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203640096 1027499691 /nfs/dbraw/zinc/49/96/91/1027499691.db2.gz ROXNEQKCGQPIIL-GASCZTMLSA-N 2 2 393.350 3.780 20 10 GHCDLP Oc1ccc(Br)cc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203640096 1027499696 /nfs/dbraw/zinc/49/96/96/1027499696.db2.gz ROXNEQKCGQPIIL-GASCZTMLSA-N 2 2 393.350 3.780 20 10 GHCDLP Oc1ccc(Br)cc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001203640096 1027499704 /nfs/dbraw/zinc/49/97/04/1027499704.db2.gz ROXNEQKCGQPIIL-GASCZTMLSA-N 2 2 393.350 3.780 20 10 GHCDLP Oc1ccc(Br)cc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001203640096 1027499709 /nfs/dbraw/zinc/49/97/09/1027499709.db2.gz ROXNEQKCGQPIIL-GASCZTMLSA-N 2 2 393.350 3.780 20 10 GHCDLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000841045690 1028066694 /nfs/dbraw/zinc/06/66/94/1028066694.db2.gz OGLXRQCVNSWQNU-HNAYVOBHSA-N 2 2 388.943 3.721 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)cc1 ZINC000841045702 1028067349 /nfs/dbraw/zinc/06/73/49/1028067349.db2.gz OKHBIUUBTNEGFJ-HSZRJFAPSA-N 2 2 391.515 3.827 20 10 GHCDLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046194 1028068578 /nfs/dbraw/zinc/06/85/78/1028068578.db2.gz XTQBWXDVXXUHRY-OAQYLSRUSA-N 2 2 383.927 3.690 20 10 GHCDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222113505 1029968667 /nfs/dbraw/zinc/96/86/67/1029968667.db2.gz JVOOTNBKULIBEV-UHFFFAOYSA-N 2 2 384.520 3.943 20 10 GHCDLP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001231555061 1034707224 /nfs/dbraw/zinc/70/72/24/1034707224.db2.gz HGDDSBQSUPISEU-CYBMUJFWSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1ccc(Br)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001231555061 1034707236 /nfs/dbraw/zinc/70/72/36/1034707236.db2.gz HGDDSBQSUPISEU-CYBMUJFWSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1ccc(C[N@H+](Cc2c(O)cc(F)cc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544281 1041757248 /nfs/dbraw/zinc/75/72/48/1041757248.db2.gz KNAJLLYUTJKMEB-QAQDUYKDSA-N 2 2 376.447 3.951 20 10 GHCDLP COc1ccc(C[N@@H+](Cc2c(O)cc(F)cc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544281 1041757254 /nfs/dbraw/zinc/75/72/54/1041757254.db2.gz KNAJLLYUTJKMEB-QAQDUYKDSA-N 2 2 376.447 3.951 20 10 GHCDLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(O)c(Br)cc1O ZINC001236770094 1041882023 /nfs/dbraw/zinc/88/20/23/1041882023.db2.gz CYMZXPAFINEPEQ-LSDHHAIUSA-N 2 2 383.330 3.699 20 10 GHCDLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(O)c(Br)cc1O ZINC001236770094 1041882025 /nfs/dbraw/zinc/88/20/25/1041882025.db2.gz CYMZXPAFINEPEQ-LSDHHAIUSA-N 2 2 383.330 3.699 20 10 GHCDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(O)c(Br)cc1O ZINC001236770094 1041882026 /nfs/dbraw/zinc/88/20/26/1041882026.db2.gz CYMZXPAFINEPEQ-LSDHHAIUSA-N 2 2 383.330 3.699 20 10 GHCDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(O)c(Br)cc1O ZINC001236770094 1041882028 /nfs/dbraw/zinc/88/20/28/1041882028.db2.gz CYMZXPAFINEPEQ-LSDHHAIUSA-N 2 2 383.330 3.699 20 10 GHCDLP Cc1cc(Cl)cc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c1O ZINC001237685273 1042325735 /nfs/dbraw/zinc/32/57/35/1042325735.db2.gz MCNMRUYHOUTMFX-UHFFFAOYSA-N 2 2 388.943 3.718 20 10 GHCDLP Cc1cc(Cl)cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c1O ZINC001237685273 1042325740 /nfs/dbraw/zinc/32/57/40/1042325740.db2.gz MCNMRUYHOUTMFX-UHFFFAOYSA-N 2 2 388.943 3.718 20 10 GHCDLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001279572289 1047842010 /nfs/dbraw/zinc/84/20/10/1047842010.db2.gz HGEZAYYIXYXMEA-UHFFFAOYSA-N 2 2 393.940 3.614 20 10 GHCDLP COc1cc(Br)cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1O ZINC000848517569 1057144780 /nfs/dbraw/zinc/14/47/80/1057144780.db2.gz FUCIQJTZUZDUCC-LBPRGKRZSA-N 2 2 394.313 3.589 20 10 GHCDLP Cc1c2ccccc2n(C)c1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001473928355 1074207193 /nfs/dbraw/zinc/20/71/93/1074207193.db2.gz IXOPFROYHXDKAS-UHFFFAOYSA-N 2 2 376.548 3.789 20 10 GHCDLP C[NH+]1CCN(c2ccc(NCc3ccc(F)c(F)c3O)c3c[nH+]ccc32)CC1 ZINC001474754203 1074546130 /nfs/dbraw/zinc/54/61/30/1074546130.db2.gz QIEZOICZDRAVHQ-UHFFFAOYSA-N 2 2 384.430 3.583 20 10 GHCDLP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000162014545 835560964 /nfs/dbraw/zinc/56/09/64/835560964.db2.gz JWESIVBEWHQZFW-FQEVSTJZSA-N 2 2 397.563 3.705 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000768530619 873364111 /nfs/dbraw/zinc/36/41/11/873364111.db2.gz NDQACJDLMGONGA-QFIPXVFZSA-N 2 2 385.939 3.665 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000768530619 873364125 /nfs/dbraw/zinc/36/41/25/873364125.db2.gz NDQACJDLMGONGA-QFIPXVFZSA-N 2 2 385.939 3.665 20 10 GHCDLP Cc1cc(Br)cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1O ZINC000809793647 887847705 /nfs/dbraw/zinc/84/77/05/887847705.db2.gz JJVRYFUWOYGRTR-UHFFFAOYSA-N 2 2 386.293 3.998 20 10 GHCDLP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1-c1ccc(F)cc1 ZINC000817940430 895968694 /nfs/dbraw/zinc/96/86/94/895968694.db2.gz GIFAIYYMHIJJTQ-IVZQSRNASA-N 2 2 381.499 3.736 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCc3sc(Br)cc32)cc1 ZINC000817941869 895970763 /nfs/dbraw/zinc/97/07/63/895970763.db2.gz LHQRICIRPPOYRY-HUUCEWRRSA-N 2 2 380.355 3.854 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3c(O)cccc3Cl)CC2)cc1 ZINC000824903226 899870446 /nfs/dbraw/zinc/87/04/46/899870446.db2.gz BVYNSCYRWAHAPT-UHFFFAOYSA-N 2 2 387.911 3.758 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccccc3Br)cc2F)CC1 ZINC001177541936 908636130 /nfs/dbraw/zinc/63/61/30/908636130.db2.gz FSLKKVAXLFGYSP-UHFFFAOYSA-N 2 2 392.316 3.630 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nc4c(s3)CCCC4)cc2F)CC1 ZINC001177698452 908718763 /nfs/dbraw/zinc/71/87/63/908718763.db2.gz UAPRLNNDGZIEOH-UHFFFAOYSA-N 2 2 388.556 3.593 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c2ccccc21 ZINC001204235094 1032679509 /nfs/dbraw/zinc/67/95/09/1032679509.db2.gz FZPDQPFCUKWWIS-UHFFFAOYSA-N 2 2 387.487 3.697 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c2ccccc21 ZINC001204235094 1032679527 /nfs/dbraw/zinc/67/95/27/1032679527.db2.gz FZPDQPFCUKWWIS-UHFFFAOYSA-N 2 2 387.487 3.697 20 10 GHCDLP COc1ccc(N2CC[NH+](CCCNc3cc(C(C)C)[nH+]c(C)n3)CC2)cc1 ZINC001156256514 1032945206 /nfs/dbraw/zinc/94/52/06/1032945206.db2.gz CLODWDSYYZQTTH-UHFFFAOYSA-N 2 2 383.540 3.541 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000841042774 1028063541 /nfs/dbraw/zinc/06/35/41/1028063541.db2.gz NYJKTMYFZRBISR-IBGZPJMESA-N 2 2 380.458 3.627 20 10 GHCDLP C[C@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@H]1C[NH3+] ZINC001205655373 1033513660 /nfs/dbraw/zinc/51/36/60/1033513660.db2.gz ZRHGTJPGTLIXRL-WDEREUQCSA-N 2 2 395.263 3.980 20 10 GHCDLP C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@H]1C[NH3+] ZINC001205655373 1033513665 /nfs/dbraw/zinc/51/36/65/1033513665.db2.gz ZRHGTJPGTLIXRL-WDEREUQCSA-N 2 2 395.263 3.980 20 10 GHCDLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001206755438 1033970182 /nfs/dbraw/zinc/97/01/82/1033970182.db2.gz IOUJHROTRYULJV-UHFFFAOYSA-N 2 2 393.300 3.786 20 10 GHCDLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231910621 1034984859 /nfs/dbraw/zinc/98/48/59/1034984859.db2.gz SMGSOUFKVIFSDK-KRWDZBQOSA-N 2 2 390.911 3.894 20 10 GHCDLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231910621 1034984862 /nfs/dbraw/zinc/98/48/62/1034984862.db2.gz SMGSOUFKVIFSDK-KRWDZBQOSA-N 2 2 390.911 3.894 20 10 GHCDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233111760 1038903408 /nfs/dbraw/zinc/90/34/08/1038903408.db2.gz WRIDSMDMHKIFIX-INIZCTEOSA-N 2 2 377.282 3.820 20 10 GHCDLP COc1cc(O)c(C[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)cc1OC ZINC001236757717 1041875330 /nfs/dbraw/zinc/87/53/30/1041875330.db2.gz OMIZUKCRDZBUPF-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP COc1cc(O)c(C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)cc1OC ZINC001236757717 1041875336 /nfs/dbraw/zinc/87/53/36/1041875336.db2.gz OMIZUKCRDZBUPF-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4ccccc4cc3O)CC2)C1 ZINC001236831787 1041921626 /nfs/dbraw/zinc/92/16/26/1041921626.db2.gz ZTFCRUSDLGDDEM-FQEVSTJZSA-N 2 2 396.531 3.785 20 10 GHCDLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc4ccccc4cc3O)CC2)C1 ZINC001236831787 1041921628 /nfs/dbraw/zinc/92/16/28/1041921628.db2.gz ZTFCRUSDLGDDEM-FQEVSTJZSA-N 2 2 396.531 3.785 20 10 GHCDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236932139 1041963620 /nfs/dbraw/zinc/96/36/20/1041963620.db2.gz VHDPNGOXZCMGSD-IBGZPJMESA-N 2 2 387.911 3.533 20 10 GHCDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236932139 1041963621 /nfs/dbraw/zinc/96/36/21/1041963621.db2.gz VHDPNGOXZCMGSD-IBGZPJMESA-N 2 2 387.911 3.533 20 10 GHCDLP Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001237054011 1042012176 /nfs/dbraw/zinc/01/21/76/1042012176.db2.gz SNPFOMUDAIZJPH-UHFFFAOYSA-N 2 2 382.382 3.772 20 10 GHCDLP C[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237091228 1042031896 /nfs/dbraw/zinc/03/18/96/1042031896.db2.gz XFYOMVNXDJPKEN-UHFFFAOYSA-N 2 2 388.353 3.833 20 10 GHCDLP C[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237091228 1042031901 /nfs/dbraw/zinc/03/19/01/1042031901.db2.gz XFYOMVNXDJPKEN-UHFFFAOYSA-N 2 2 388.353 3.833 20 10 GHCDLP Oc1ccc(Cl)c(Cl)c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001279674467 1047909851 /nfs/dbraw/zinc/90/98/51/1047909851.db2.gz IXLGPCLZKJRBNL-UHFFFAOYSA-N 2 2 381.307 3.520 20 10 GHCDLP CCc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1O ZINC000848916759 1057418500 /nfs/dbraw/zinc/41/85/00/1057418500.db2.gz XGPCMTFCLLMENV-UHFFFAOYSA-N 2 2 381.520 3.667 20 10 GHCDLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000185360569 866015808 /nfs/dbraw/zinc/01/58/08/866015808.db2.gz HKUREXHISGACRQ-LSDHHAIUSA-N 2 2 375.463 3.834 20 10 GHCDLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000185360590 866016396 /nfs/dbraw/zinc/01/63/96/866016396.db2.gz HKUREXHISGACRQ-HUUCEWRRSA-N 2 2 375.463 3.834 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000767345664 872437932 /nfs/dbraw/zinc/43/79/32/872437932.db2.gz CAVAWEBBCDHGQO-XUZZJYLKSA-N 2 2 379.548 3.601 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000775676299 872786821 /nfs/dbraw/zinc/78/68/21/872786821.db2.gz PTAAXWMJRVSILU-JOCHJYFZSA-N 2 2 385.939 3.665 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000775676299 872786832 /nfs/dbraw/zinc/78/68/32/872786832.db2.gz PTAAXWMJRVSILU-JOCHJYFZSA-N 2 2 385.939 3.665 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000093563696 912343949 /nfs/dbraw/zinc/34/39/49/912343949.db2.gz KKUFADFJXRVIGC-INIZCTEOSA-N 2 2 383.330 3.614 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000093563696 912343969 /nfs/dbraw/zinc/34/39/69/912343969.db2.gz KKUFADFJXRVIGC-INIZCTEOSA-N 2 2 383.330 3.614 20 10 GHCDLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000841031423 884094868 /nfs/dbraw/zinc/09/48/68/884094868.db2.gz RXUDKPHEDBAQRL-NOZJJQNGSA-N 2 2 392.135 3.524 20 10 GHCDLP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000762648105 886615781 /nfs/dbraw/zinc/61/57/81/886615781.db2.gz GYRAIGCHOWSUOQ-PBHICJAKSA-N 2 2 385.346 3.696 20 10 GHCDLP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000762648105 886615789 /nfs/dbraw/zinc/61/57/89/886615789.db2.gz GYRAIGCHOWSUOQ-PBHICJAKSA-N 2 2 385.346 3.696 20 10 GHCDLP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Cl)c1O ZINC000287285660 913236217 /nfs/dbraw/zinc/23/62/17/913236217.db2.gz BRWBPTFVNBFANI-IBGZPJMESA-N 2 2 389.927 3.578 20 10 GHCDLP Oc1c(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)ccc2ccccc21 ZINC000816542016 894912258 /nfs/dbraw/zinc/91/22/58/894912258.db2.gz ACBOHDZSQGYIGZ-UHFFFAOYSA-N 2 2 392.499 3.546 20 10 GHCDLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938841 895967045 /nfs/dbraw/zinc/96/70/45/895967045.db2.gz UJMXIXIMSFLUBF-KUHUBIRLSA-N 2 2 381.549 3.930 20 10 GHCDLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c2ccccc21 ZINC000817943539 895972052 /nfs/dbraw/zinc/97/20/52/895972052.db2.gz VFHFIIMIYWHVBV-BHIFYINESA-N 2 2 381.520 3.524 20 10 GHCDLP Cc1cc(O)c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000824895009 899865004 /nfs/dbraw/zinc/86/50/04/899865004.db2.gz ORMKKLMSZSVPSD-UHFFFAOYSA-N 3 2 394.003 3.982 20 10 GHCDLP Cc1cc(O)c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000824895009 899865016 /nfs/dbraw/zinc/86/50/16/899865016.db2.gz ORMKKLMSZSVPSD-UHFFFAOYSA-N 3 2 394.003 3.982 20 10 GHCDLP COc1cccc([C@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1O ZINC000846143414 902748353 /nfs/dbraw/zinc/74/83/53/902748353.db2.gz FMCAIODEBOQGFH-MSOLQXFVSA-N 2 2 384.520 3.951 20 10 GHCDLP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC1 ZINC001172799033 905872300 /nfs/dbraw/zinc/87/23/00/905872300.db2.gz OGPZMHXWVQNYSE-AHWCRGGASA-N 2 2 398.503 3.550 20 10 GHCDLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192747246 908820637 /nfs/dbraw/zinc/82/06/37/908820637.db2.gz FHXUUWFOCJJEFC-CYBMUJFWSA-N 2 2 395.334 3.697 20 10 GHCDLP COc1ccc(N2CCC([NH2+]Cc3ccccc3Cn3cc[nH+]c3)CC2)cc1 ZINC000363790428 918864134 /nfs/dbraw/zinc/86/41/34/918864134.db2.gz GCPXWUOOLYVCNF-UHFFFAOYSA-N 2 2 376.504 3.699 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000781913031 931026551 /nfs/dbraw/zinc/02/65/51/931026551.db2.gz YEHDSZVPOOKJLX-RDTXWAMCSA-N 2 2 379.342 3.912 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000781913031 931026559 /nfs/dbraw/zinc/02/65/59/931026559.db2.gz YEHDSZVPOOKJLX-RDTXWAMCSA-N 2 2 379.342 3.912 20 10 GHCDLP Cc1cc(Br)c(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000781913031 931026563 /nfs/dbraw/zinc/02/65/63/931026563.db2.gz YEHDSZVPOOKJLX-RDTXWAMCSA-N 2 2 379.342 3.912 20 10 GHCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(C(F)(F)F)c1O ZINC000798181303 932554595 /nfs/dbraw/zinc/55/45/95/932554595.db2.gz IHZZGTMVTXRPQP-MORSLUCNSA-N 2 2 386.458 3.830 20 10 GHCDLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(N4CCCC4)cc2)CC3)cn1 ZINC001204324170 1032767741 /nfs/dbraw/zinc/76/77/41/1032767741.db2.gz ZQHWJJYACCSZQT-UHFFFAOYSA-N 2 2 393.579 3.651 20 10 GHCDLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc(N4CCCC4)cc2)CC3)cn1 ZINC001204324170 1032767751 /nfs/dbraw/zinc/76/77/51/1032767751.db2.gz ZQHWJJYACCSZQT-UHFFFAOYSA-N 2 2 393.579 3.651 20 10 GHCDLP COc1cc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc(C[NH+](C)C)c1O ZINC001139253522 1026103977 /nfs/dbraw/zinc/10/39/77/1026103977.db2.gz XBVIKRXXIJYWND-QHCPKHFHSA-N 2 2 391.515 3.869 20 10 GHCDLP COc1cc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc(C[NH+](C)C)c1O ZINC001139253522 1026103985 /nfs/dbraw/zinc/10/39/85/1026103985.db2.gz XBVIKRXXIJYWND-QHCPKHFHSA-N 2 2 391.515 3.869 20 10 GHCDLP COc1cc(C[N@@H+]2CCSC[C@H]2c2ccc(F)cc2)cc(C[NH+](C)C)c1O ZINC001139258260 1026108098 /nfs/dbraw/zinc/10/80/98/1026108098.db2.gz OFGCALIFQIKLFE-IBGZPJMESA-N 2 2 390.524 3.892 20 10 GHCDLP COc1cc(C[N@H+]2CCSC[C@H]2c2ccc(F)cc2)cc(C[NH+](C)C)c1O ZINC001139258260 1026108104 /nfs/dbraw/zinc/10/81/04/1026108104.db2.gz OFGCALIFQIKLFE-IBGZPJMESA-N 2 2 390.524 3.892 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@H]1C[NH3+] ZINC001206024068 1033690858 /nfs/dbraw/zinc/69/08/58/1033690858.db2.gz HEZYCBZCQCMKQO-MNOVXSKESA-N 2 2 395.263 3.980 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CCC[C@H]1C[NH3+] ZINC001206024068 1033690860 /nfs/dbraw/zinc/69/08/60/1033690860.db2.gz HEZYCBZCQCMKQO-MNOVXSKESA-N 2 2 395.263 3.980 20 10 GHCDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC001231587792 1034741424 /nfs/dbraw/zinc/74/14/24/1034741424.db2.gz ZCPTWOZLFZAOJG-UHFFFAOYSA-N 2 2 378.520 3.943 20 10 GHCDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC001231587792 1034741440 /nfs/dbraw/zinc/74/14/40/1034741440.db2.gz ZCPTWOZLFZAOJG-UHFFFAOYSA-N 2 2 378.520 3.943 20 10 GHCDLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3O)C2)C1 ZINC001233417093 1039274565 /nfs/dbraw/zinc/27/45/65/1039274565.db2.gz HVESOUYQFPBVLN-YLJYHZDGSA-N 2 2 398.469 3.591 20 10 GHCDLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3O)C2)C1 ZINC001233417093 1039274581 /nfs/dbraw/zinc/27/45/81/1039274581.db2.gz HVESOUYQFPBVLN-YLJYHZDGSA-N 2 2 398.469 3.591 20 10 GHCDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(C(F)(F)F)c3O)C2)C1 ZINC001233417093 1039274593 /nfs/dbraw/zinc/27/45/93/1039274593.db2.gz HVESOUYQFPBVLN-YLJYHZDGSA-N 2 2 398.469 3.591 20 10 GHCDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(C(F)(F)F)c3O)C2)C1 ZINC001233417093 1039274608 /nfs/dbraw/zinc/27/46/08/1039274608.db2.gz HVESOUYQFPBVLN-YLJYHZDGSA-N 2 2 398.469 3.591 20 10 GHCDLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(F)c3O)C2)ccn1 ZINC001462457718 1070267196 /nfs/dbraw/zinc/26/71/96/1070267196.db2.gz JHDXOXFCMSUICS-GOSISDBHSA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(F)c3O)C2)ccn1 ZINC001462457718 1070267212 /nfs/dbraw/zinc/26/72/12/1070267212.db2.gz JHDXOXFCMSUICS-GOSISDBHSA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)ccn1 ZINC001462457718 1070267222 /nfs/dbraw/zinc/26/72/22/1070267222.db2.gz JHDXOXFCMSUICS-GOSISDBHSA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)ccn1 ZINC001462457718 1070267233 /nfs/dbraw/zinc/26/72/33/1070267233.db2.gz JHDXOXFCMSUICS-GOSISDBHSA-N 2 2 391.462 3.559 20 10 GHCDLP COc1ccc(C[N@H+](Cc2cc(F)c(Cl)cc2O)C2CC[NH2+]CC2)cc1 ZINC001236447860 1041717209 /nfs/dbraw/zinc/71/72/09/1041717209.db2.gz LSNQCADCQLOXLV-UHFFFAOYSA-N 2 2 378.875 3.948 20 10 GHCDLP COc1ccc(C[N@@H+](Cc2cc(F)c(Cl)cc2O)C2CC[NH2+]CC2)cc1 ZINC001236447860 1041717217 /nfs/dbraw/zinc/71/72/17/1041717217.db2.gz LSNQCADCQLOXLV-UHFFFAOYSA-N 2 2 378.875 3.948 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)CC(C)(C)SC)CC2)cc1 ZINC001258316516 1044504507 /nfs/dbraw/zinc/50/45/07/1044504507.db2.gz RMRCYHFPVNFUHW-GOSISDBHSA-N 2 2 379.614 3.717 20 10 GHCDLP C[NH+]1CCN(c2ccc(CNc3ccc(-n4cc[nH+]c4)c(Cl)c3)cc2)CC1 ZINC001474055214 1074249841 /nfs/dbraw/zinc/24/98/41/1074249841.db2.gz PCGZPSKVWSOLLL-UHFFFAOYSA-N 2 2 381.911 3.890 20 10 GHCDLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)cc(F)c3O)C2)ccn1 ZINC000856553899 881387076 /nfs/dbraw/zinc/38/70/76/881387076.db2.gz YUWJLAHCHCXYIG-GOSISDBHSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)cc(F)c3O)C2)ccn1 ZINC000856553899 881387104 /nfs/dbraw/zinc/38/71/04/881387104.db2.gz YUWJLAHCHCXYIG-GOSISDBHSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)ccn1 ZINC000856553899 881387137 /nfs/dbraw/zinc/38/71/37/881387137.db2.gz YUWJLAHCHCXYIG-GOSISDBHSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)ccn1 ZINC000856553899 881387169 /nfs/dbraw/zinc/38/71/69/881387169.db2.gz YUWJLAHCHCXYIG-GOSISDBHSA-N 2 2 393.890 3.685 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000764675468 859562978 /nfs/dbraw/zinc/56/29/78/859562978.db2.gz AECJECKNXSWWBJ-HXUWFJFHSA-N 2 2 396.579 3.624 20 10 GHCDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766011597 861013113 /nfs/dbraw/zinc/01/31/13/861013113.db2.gz NPWIAFNWQRLKLJ-KNQAVFIVSA-N 2 2 397.538 3.978 20 10 GHCDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766011597 861013125 /nfs/dbraw/zinc/01/31/25/861013125.db2.gz NPWIAFNWQRLKLJ-KNQAVFIVSA-N 2 2 397.538 3.978 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc(Cl)nc3)CC2)cc1 ZINC000179097772 866382597 /nfs/dbraw/zinc/38/25/97/866382597.db2.gz RFBYPZYNENOTNX-KRWDZBQOSA-N 2 2 388.943 3.607 20 10 GHCDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc4c(c3)CCCO4)CC2)c1 ZINC001199085109 874800185 /nfs/dbraw/zinc/80/01/85/874800185.db2.gz IUHCNMOZWZBRCB-UHFFFAOYSA-N 2 2 379.548 3.622 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc(C)nc3C)CC2)cc1 ZINC000771386595 875234608 /nfs/dbraw/zinc/23/46/08/875234608.db2.gz YTFCFGJXQAKLKJ-LJQANCHMSA-N 2 2 382.552 3.570 20 10 GHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858463530 883117340 /nfs/dbraw/zinc/11/73/40/883117340.db2.gz RSXSRUBASRJRQJ-PXNSSMCTSA-N 2 2 375.532 3.720 20 10 GHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858463530 883117345 /nfs/dbraw/zinc/11/73/45/883117345.db2.gz RSXSRUBASRJRQJ-PXNSSMCTSA-N 2 2 375.532 3.720 20 10 GHCDLP COc1ccc([C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817903620 895956509 /nfs/dbraw/zinc/95/65/09/895956509.db2.gz SADYYVFUJIQBKA-BJKOFHAPSA-N 2 2 395.547 3.756 20 10 GHCDLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939139 895968073 /nfs/dbraw/zinc/96/80/73/895968073.db2.gz ZLBUMNXKSHCEQA-KKSFZXQISA-N 2 2 383.540 3.633 20 10 GHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Br)ccc1O ZINC000817941061 895970038 /nfs/dbraw/zinc/97/00/38/895970038.db2.gz IKVKNVORLZIUGO-SJCJKPOMSA-N 2 2 378.314 3.571 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ncc(Br)s1 ZINC000883290032 897454760 /nfs/dbraw/zinc/45/47/60/897454760.db2.gz IRSLXXQOZREMDQ-ZDUSSCGKSA-N 2 2 395.370 3.508 20 10 GHCDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CN1Cc1ccccc1 ZINC001171733101 904961535 /nfs/dbraw/zinc/96/15/35/904961535.db2.gz IIXOFNKPTUAZOX-WMZHIEFXSA-N 2 2 379.548 3.609 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Cl)c(Cl)cc1O ZINC000192681041 908815165 /nfs/dbraw/zinc/81/51/65/908815165.db2.gz CHZLEDQRMKYNRP-CYBMUJFWSA-N 2 2 395.334 3.697 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(Cl)cn3)cc2F)CC1 ZINC000775501173 918393439 /nfs/dbraw/zinc/39/34/39/918393439.db2.gz CGFJYZKBQPGWKU-HNNXBMFYSA-N 2 2 376.907 3.867 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1nccn1-c1ccccc1 ZINC001117598903 933961648 /nfs/dbraw/zinc/96/16/48/933961648.db2.gz VFKLYFLZUZCZNR-SFHVURJKSA-N 2 2 393.510 3.614 20 10 GHCDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@@H](C)O1 ZINC001461013643 1069336102 /nfs/dbraw/zinc/33/61/02/1069336102.db2.gz KYZYBTCVSSALDO-NHCUHLMSSA-N 2 2 393.575 3.838 20 10 GHCDLP Oc1ccc(F)cc1C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001140058788 1026837544 /nfs/dbraw/zinc/83/75/44/1026837544.db2.gz LTCHQYVAKKAOKV-UHFFFAOYSA-N 2 2 376.229 3.541 20 10 GHCDLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233013576 1038768642 /nfs/dbraw/zinc/76/86/42/1038768642.db2.gz YZVUWLBXYLWEBJ-RYQLBKOJSA-N 2 2 388.533 3.597 20 10 GHCDLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233013576 1038768648 /nfs/dbraw/zinc/76/86/48/1038768648.db2.gz YZVUWLBXYLWEBJ-RYQLBKOJSA-N 2 2 388.533 3.597 20 10 GHCDLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233013576 1038768653 /nfs/dbraw/zinc/76/86/53/1038768653.db2.gz YZVUWLBXYLWEBJ-RYQLBKOJSA-N 2 2 388.533 3.597 20 10 GHCDLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233013576 1038768659 /nfs/dbraw/zinc/76/86/59/1038768659.db2.gz YZVUWLBXYLWEBJ-RYQLBKOJSA-N 2 2 388.533 3.597 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(Cl)c1 ZINC001235559407 1040987952 /nfs/dbraw/zinc/98/79/52/1040987952.db2.gz ZRYRLDPRQZZJKD-UHFFFAOYSA-N 2 2 387.959 3.651 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(Cl)c1 ZINC001235559407 1040987956 /nfs/dbraw/zinc/98/79/56/1040987956.db2.gz ZRYRLDPRQZZJKD-UHFFFAOYSA-N 2 2 387.959 3.651 20 10 GHCDLP c1ccc(C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C2CC[NH2+]CC2)nc1 ZINC001236447710 1041716854 /nfs/dbraw/zinc/71/68/54/1041716854.db2.gz WBXPVOYEMXZJMP-UHFFFAOYSA-N 2 2 376.548 3.535 20 10 GHCDLP c1ccc(C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C2CC[NH2+]CC2)nc1 ZINC001236447710 1041716859 /nfs/dbraw/zinc/71/68/59/1041716859.db2.gz WBXPVOYEMXZJMP-UHFFFAOYSA-N 2 2 376.548 3.535 20 10 GHCDLP Clc1ccccc1C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C1CC[NH2+]CC1 ZINC001236449650 1041717878 /nfs/dbraw/zinc/71/78/78/1041717878.db2.gz NGXIUDCTSWBOIT-UHFFFAOYSA-N 3 2 398.982 3.504 20 10 GHCDLP Clc1ccccc1C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C1CC[NH2+]CC1 ZINC001236449650 1041717881 /nfs/dbraw/zinc/71/78/81/1041717881.db2.gz NGXIUDCTSWBOIT-UHFFFAOYSA-N 3 2 398.982 3.504 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC4)CC3)cc2Br)CC1 ZINC001237089638 1042031911 /nfs/dbraw/zinc/03/19/11/1042031911.db2.gz INECFNGBWDESGE-UHFFFAOYSA-N 2 2 378.358 3.577 20 10 GHCDLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)C1 ZINC001237679617 1042320310 /nfs/dbraw/zinc/32/03/10/1042320310.db2.gz KBZJFURQMUFIHG-MRXNPFEDSA-N 2 2 394.943 3.594 20 10 GHCDLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)C1 ZINC001237679617 1042320320 /nfs/dbraw/zinc/32/03/20/1042320320.db2.gz KBZJFURQMUFIHG-MRXNPFEDSA-N 2 2 394.943 3.594 20 10 GHCDLP CCC[NH+]1CCC([NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC001258777897 1044761556 /nfs/dbraw/zinc/76/15/56/1044761556.db2.gz MCMDAXOKTSGBPO-UHFFFAOYSA-N 2 2 394.563 3.657 20 10 GHCDLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001279487439 1047823322 /nfs/dbraw/zinc/82/33/22/1047823322.db2.gz BPLQCJQXAORJBT-UHFFFAOYSA-N 2 2 379.476 3.533 20 10 GHCDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3c(O)cc(C)cc3Cl)CC2)c1 ZINC001308188466 1049905803 /nfs/dbraw/zinc/90/58/03/1049905803.db2.gz ISDOKPJPSLCWAC-UHFFFAOYSA-N 2 2 387.955 3.964 20 10 GHCDLP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](c2ccccc2)O1 ZINC001319701366 1055408409 /nfs/dbraw/zinc/40/84/09/1055408409.db2.gz VGLYUBSLBZFELA-FDDCHVKYSA-N 2 2 383.511 3.540 20 10 GHCDLP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](c2ccccc2)O1 ZINC001319701366 1055408416 /nfs/dbraw/zinc/40/84/16/1055408416.db2.gz VGLYUBSLBZFELA-FDDCHVKYSA-N 2 2 383.511 3.540 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000247175395 837088520 /nfs/dbraw/zinc/08/85/20/837088520.db2.gz UWRDRKGRTJVZNY-AUSIDOKSSA-N 2 2 396.604 3.635 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000247175395 837088530 /nfs/dbraw/zinc/08/85/30/837088530.db2.gz UWRDRKGRTJVZNY-AUSIDOKSSA-N 2 2 396.604 3.635 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177807367 840125116 /nfs/dbraw/zinc/12/51/16/840125116.db2.gz USMPMODDOMTTKL-KRWDZBQOSA-N 2 2 380.467 3.699 20 10 GHCDLP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC000740899035 866087368 /nfs/dbraw/zinc/08/73/68/866087368.db2.gz NDUQZIJSESBXSC-GGAORHGYSA-N 2 2 399.554 3.645 20 10 GHCDLP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC000740899035 866087383 /nfs/dbraw/zinc/08/73/83/866087383.db2.gz NDUQZIJSESBXSC-GGAORHGYSA-N 2 2 399.554 3.645 20 10 GHCDLP COc1ccccc1[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000771845975 875484231 /nfs/dbraw/zinc/48/42/31/875484231.db2.gz KXPVAMJRPLQFCB-XMMPIXPASA-N 2 2 391.515 3.919 20 10 GHCDLP COc1ccc(N2CC[C@H]([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)cc1 ZINC000850346617 876837282 /nfs/dbraw/zinc/83/72/82/876837282.db2.gz HYHWUHHBKFLERS-FQEVSTJZSA-N 2 2 394.563 3.599 20 10 GHCDLP CC(=O)c1cc(F)cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000787305284 877331601 /nfs/dbraw/zinc/33/16/01/877331601.db2.gz ZJVCTGVUNZBXDT-BRLLKYFNSA-N 2 2 384.495 3.980 20 10 GHCDLP CC(=O)c1cc(F)cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000787305284 877331612 /nfs/dbraw/zinc/33/16/12/877331612.db2.gz ZJVCTGVUNZBXDT-BRLLKYFNSA-N 2 2 384.495 3.980 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3nc4ccccc4n3C)cc2F)CC1 ZINC000180103445 878492980 /nfs/dbraw/zinc/49/29/80/878492980.db2.gz LOAWJLIKTCABAC-QGZVFWFLSA-N 2 2 395.526 3.705 20 10 GHCDLP CSC1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC[NH+](C)CC1 ZINC000810251880 888353729 /nfs/dbraw/zinc/35/37/29/888353729.db2.gz AQJUXEYVCUWWAV-LLVKDONJSA-N 2 2 391.350 3.772 20 10 GHCDLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Br)cc(F)c1O ZINC000817939265 895968522 /nfs/dbraw/zinc/96/85/22/895968522.db2.gz BRXBPNCLNQZPER-GFCCVEGCSA-N 2 2 382.277 3.519 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCc3sc(Br)cc32)cc1 ZINC000817941871 895970322 /nfs/dbraw/zinc/97/03/22/895970322.db2.gz LHQRICIRPPOYRY-LSDHHAIUSA-N 2 2 380.355 3.854 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ncc(Br)s1 ZINC000883290031 897454979 /nfs/dbraw/zinc/45/49/79/897454979.db2.gz IRSLXXQOZREMDQ-CYBMUJFWSA-N 2 2 395.370 3.508 20 10 GHCDLP COc1c(O)c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000365828387 921193365 /nfs/dbraw/zinc/19/33/65/921193365.db2.gz UXNKNGXLFUMQDE-HNNXBMFYSA-N 2 2 385.464 3.624 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000245713428 909849469 /nfs/dbraw/zinc/84/94/69/909849469.db2.gz COLXQPMGKCHIJN-GUYCJALGSA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000245713428 909849481 /nfs/dbraw/zinc/84/94/81/909849481.db2.gz COLXQPMGKCHIJN-GUYCJALGSA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000245713428 909849489 /nfs/dbraw/zinc/84/94/89/909849489.db2.gz COLXQPMGKCHIJN-GUYCJALGSA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000245713428 909849503 /nfs/dbraw/zinc/84/95/03/909849503.db2.gz COLXQPMGKCHIJN-GUYCJALGSA-N 2 2 395.341 3.612 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccccc3OC(C)C)CC2)cc1 ZINC000726709730 926817079 /nfs/dbraw/zinc/81/70/79/926817079.db2.gz XNQJETXPVAMJGK-UHFFFAOYSA-N 2 2 397.563 3.784 20 10 GHCDLP CC[C@](C)([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1nc(C)cs1 ZINC001116488259 933587144 /nfs/dbraw/zinc/58/71/44/933587144.db2.gz PWWYWTXCWMJZHB-FQEVSTJZSA-N 2 2 376.545 3.757 20 10 GHCDLP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cc(F)cc(F)c1O ZINC000756400433 1023629677 /nfs/dbraw/zinc/62/96/77/1023629677.db2.gz KIGXWYDDNNAAGC-IERDGZPVSA-N 2 2 389.490 3.700 20 10 GHCDLP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cc(F)cc(F)c1O ZINC000756400433 1023629682 /nfs/dbraw/zinc/62/96/82/1023629682.db2.gz KIGXWYDDNNAAGC-IERDGZPVSA-N 2 2 389.490 3.700 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000756417212 1023637952 /nfs/dbraw/zinc/63/79/52/1023637952.db2.gz LFBUMWJQWHQAJB-QGZVFWFLSA-N 2 2 382.504 3.802 20 10 GHCDLP COc1cccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c1O ZINC001203593759 1027459520 /nfs/dbraw/zinc/45/95/20/1027459520.db2.gz QAYALABETRAJPR-UHFFFAOYSA-N 2 2 375.428 3.908 20 10 GHCDLP CCn1c2ccc(C)cc2[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461730985 1069707692 /nfs/dbraw/zinc/70/76/92/1069707692.db2.gz OXOSYIWLWNEGJH-UHFFFAOYSA-N 2 2 381.499 3.868 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1Cl ZINC001232265769 1037986660 /nfs/dbraw/zinc/98/66/60/1037986660.db2.gz AWHBAVTWNROACU-GJZGRUSLSA-N 2 2 378.925 3.680 20 10 GHCDLP Oc1c(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc(Br)cc1C(F)(F)F ZINC001235340189 1040810303 /nfs/dbraw/zinc/81/03/03/1040810303.db2.gz NWLVSCPAYPEMSG-UHFFFAOYSA-N 2 2 393.247 3.605 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC34CCCC4)cc2Br)CC1 ZINC001237090186 1042031614 /nfs/dbraw/zinc/03/16/14/1042031614.db2.gz OCQIXPSCOXAVML-UHFFFAOYSA-N 2 2 378.358 3.719 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC34CCCC4)cc2Br)CC1 ZINC001237090186 1042031617 /nfs/dbraw/zinc/03/16/17/1042031617.db2.gz OCQIXPSCOXAVML-UHFFFAOYSA-N 2 2 378.358 3.719 20 10 GHCDLP Cc1cc(O)c(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC001474515450 1074443765 /nfs/dbraw/zinc/44/37/65/1074443765.db2.gz UHXZFHVFDHLMNN-HXUWFJFHSA-N 2 2 399.966 3.746 20 10 GHCDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769148786 873846789 /nfs/dbraw/zinc/84/67/89/873846789.db2.gz RZDAPEFRXHZPDO-CTNGQTDRSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769148786 873846808 /nfs/dbraw/zinc/84/68/08/873846808.db2.gz RZDAPEFRXHZPDO-CTNGQTDRSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769148786 873846827 /nfs/dbraw/zinc/84/68/27/873846827.db2.gz RZDAPEFRXHZPDO-CTNGQTDRSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769148786 873846844 /nfs/dbraw/zinc/84/68/44/873846844.db2.gz RZDAPEFRXHZPDO-CTNGQTDRSA-N 2 2 389.559 3.749 20 10 GHCDLP C[NH+]1CCN(c2ccc(CNc3cccc4c3CN(c3cccc[nH+]3)C4)cc2)CC1 ZINC000771860361 875522510 /nfs/dbraw/zinc/52/25/10/875522510.db2.gz XTPWTZJUBHLPBK-UHFFFAOYSA-N 2 2 399.542 3.966 20 10 GHCDLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Br)ccc1O ZINC000185025935 883399250 /nfs/dbraw/zinc/39/92/50/883399250.db2.gz KOWSNYHZITUAOL-CYBMUJFWSA-N 2 2 376.298 3.869 20 10 GHCDLP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1O ZINC000806135947 884355857 /nfs/dbraw/zinc/35/58/57/884355857.db2.gz QHVOUWUVLWWLNP-FQEVSTJZSA-N 2 2 388.943 3.694 20 10 GHCDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877033190 893449424 /nfs/dbraw/zinc/44/94/24/893449424.db2.gz YVFSKPMUGPKYFK-LJQANCHMSA-N 2 2 381.564 3.867 20 10 GHCDLP OC1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2)CC1 ZINC000877497987 893647519 /nfs/dbraw/zinc/64/75/19/893647519.db2.gz HOBNBHQJNGYMHD-FQEVSTJZSA-N 2 2 394.563 3.560 20 10 GHCDLP OC1CCN(c2ccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2)CC1 ZINC000877497987 893647524 /nfs/dbraw/zinc/64/75/24/893647524.db2.gz HOBNBHQJNGYMHD-FQEVSTJZSA-N 2 2 394.563 3.560 20 10 GHCDLP COc1cccc([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000846141085 902747279 /nfs/dbraw/zinc/74/72/79/902747279.db2.gz KSGAFQVRRMNIJX-FQEVSTJZSA-N 2 2 397.563 3.649 20 10 GHCDLP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1ccc(Br)cc1O ZINC000903379962 922977516 /nfs/dbraw/zinc/97/75/16/922977516.db2.gz JKJPWCGFVJLFBP-SUMWQHHRSA-N 2 2 378.314 3.893 20 10 GHCDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(N(C)C)c4ccccc34)CC2)c1 ZINC001204241037 1032685035 /nfs/dbraw/zinc/68/50/35/1032685035.db2.gz SLGQDSOXYFXROA-UHFFFAOYSA-N 2 2 376.504 3.632 20 10 GHCDLP Cc1c(O)ccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c1O ZINC001140745521 1022418116 /nfs/dbraw/zinc/41/81/16/1022418116.db2.gz JNMCIPYAZUGKPL-UHFFFAOYSA-N 2 2 375.428 3.913 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000756504680 1023688568 /nfs/dbraw/zinc/68/85/68/1023688568.db2.gz PQGJNJGRPFMHPY-MJGOQNOKSA-N 2 2 382.504 3.742 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000756504680 1023688574 /nfs/dbraw/zinc/68/85/74/1023688574.db2.gz PQGJNJGRPFMHPY-MJGOQNOKSA-N 2 2 382.504 3.742 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000756654835 1023756310 /nfs/dbraw/zinc/75/63/10/1023756310.db2.gz MORQABKWOLJDRZ-DDOIHHOZSA-N 2 2 396.531 3.986 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000756654835 1023756314 /nfs/dbraw/zinc/75/63/14/1023756314.db2.gz MORQABKWOLJDRZ-DDOIHHOZSA-N 2 2 396.531 3.986 20 10 GHCDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc2c(cc1O)CCCC2 ZINC000756854665 1023835169 /nfs/dbraw/zinc/83/51/69/1023835169.db2.gz APZPDMDOUFFKCV-OXJNMPFZSA-N 2 2 380.536 3.979 20 10 GHCDLP Brc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1N1CCCCC1 ZINC000838888974 1025422993 /nfs/dbraw/zinc/42/29/93/1025422993.db2.gz DWVSVDGSYIXDBL-UHFFFAOYSA-N 2 2 377.330 3.816 20 10 GHCDLP Oc1ccc(Br)cc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001203640098 1027500334 /nfs/dbraw/zinc/50/03/34/1027500334.db2.gz ROXNEQKCGQPIIL-HUUCEWRRSA-N 2 2 393.350 3.780 20 10 GHCDLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044952 1028062605 /nfs/dbraw/zinc/06/26/05/1028062605.db2.gz GTGDWFCNCOSUMP-DYESRHJHSA-N 2 2 382.552 3.883 20 10 GHCDLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1O ZINC000841743900 1028906463 /nfs/dbraw/zinc/90/64/63/1028906463.db2.gz DDNFIGBVCPKNJR-INIZCTEOSA-N 2 2 390.911 3.607 20 10 GHCDLP [NH3+]C1CC2(C1)CC[NH+](Cc1cc(Br)cc(C(F)(F)F)c1O)CC2 ZINC001222215994 1030010574 /nfs/dbraw/zinc/01/05/74/1030010574.db2.gz RMOKIKISWANJTG-UHFFFAOYSA-N 2 2 393.247 3.877 20 10 GHCDLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)CC1 ZINC001231868817 1034955449 /nfs/dbraw/zinc/95/54/49/1034955449.db2.gz ZANSERWNXMCKHT-UHFFFAOYSA-N 2 2 394.943 3.594 20 10 GHCDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(O)ccc(F)c3F)C[C@@H]21 ZINC001233334832 1039133393 /nfs/dbraw/zinc/13/33/93/1039133393.db2.gz VQVSWIGFIGTOTO-RIFZZMRRSA-N 2 2 387.474 3.798 20 10 GHCDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(O)ccc(F)c3F)C[C@@H]21 ZINC001233334832 1039133411 /nfs/dbraw/zinc/13/34/11/1039133411.db2.gz VQVSWIGFIGTOTO-RIFZZMRRSA-N 2 2 387.474 3.798 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2F)CC1 ZINC001253981446 1039933646 /nfs/dbraw/zinc/93/36/46/1039933646.db2.gz PVYWZRPNKMUFFW-UHFFFAOYSA-N 2 2 398.482 3.650 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2F)CC1 ZINC001253981446 1039933648 /nfs/dbraw/zinc/93/36/48/1039933648.db2.gz PVYWZRPNKMUFFW-UHFFFAOYSA-N 2 2 398.482 3.650 20 10 GHCDLP CCOC(=O)CCC[C@@H](C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001258111292 1044399739 /nfs/dbraw/zinc/39/97/39/1044399739.db2.gz HODJPOMWGYUAOC-UJUVCNOISA-N 2 2 386.492 3.550 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C)cc3Cl)CC2)cc1 ZINC001473917686 1074203091 /nfs/dbraw/zinc/20/30/91/1074203091.db2.gz LVPZWDFMBZTKQK-UHFFFAOYSA-N 2 2 387.955 3.959 20 10 GHCDLP COc1ccc(N2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)cc1 ZINC000731450128 861623821 /nfs/dbraw/zinc/62/38/21/861623821.db2.gz DSXDIHJUDSPIJX-UHFFFAOYSA-N 2 2 380.467 3.779 20 10 GHCDLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856560988 881456050 /nfs/dbraw/zinc/45/60/50/881456050.db2.gz RTQBFOQJXQDDGK-IBGZPJMESA-N 2 2 389.927 3.934 20 10 GHCDLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856560988 881456227 /nfs/dbraw/zinc/45/62/27/881456227.db2.gz RTQBFOQJXQDDGK-IBGZPJMESA-N 2 2 389.927 3.934 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856560988 881456382 /nfs/dbraw/zinc/45/63/82/881456382.db2.gz RTQBFOQJXQDDGK-IBGZPJMESA-N 2 2 389.927 3.934 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856560988 881456456 /nfs/dbraw/zinc/45/64/56/881456456.db2.gz RTQBFOQJXQDDGK-IBGZPJMESA-N 2 2 389.927 3.934 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4[nH]c5ccc(F)cc5c4C3)cc2)CC1 ZINC000775654455 872387970 /nfs/dbraw/zinc/38/79/70/872387970.db2.gz KZITYHYYUVYKFI-UHFFFAOYSA-N 2 2 378.495 3.617 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4[nH]c5ccc(F)cc5c4C3)cc2)CC1 ZINC000775654455 872387987 /nfs/dbraw/zinc/38/79/87/872387987.db2.gz KZITYHYYUVYKFI-UHFFFAOYSA-N 2 2 378.495 3.617 20 10 GHCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000775680877 872812820 /nfs/dbraw/zinc/81/28/20/872812820.db2.gz JYNPHMQHTTXSKK-UHFFFAOYSA-N 3 2 392.591 3.535 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000775680877 872812821 /nfs/dbraw/zinc/81/28/21/872812821.db2.gz JYNPHMQHTTXSKK-UHFFFAOYSA-N 3 2 392.591 3.535 20 10 GHCDLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)c(N(C)C)cc3F)c2)CCO1 ZINC000858107909 882852259 /nfs/dbraw/zinc/85/22/59/882852259.db2.gz LYZQSCICJBQGFV-INIZCTEOSA-N 2 2 389.490 3.541 20 10 GHCDLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(F)c(N(C)C)cc3F)c2)CCO1 ZINC000858107909 882852279 /nfs/dbraw/zinc/85/22/79/882852279.db2.gz LYZQSCICJBQGFV-INIZCTEOSA-N 2 2 389.490 3.541 20 10 GHCDLP COc1ccccc1[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000771845972 875484174 /nfs/dbraw/zinc/48/41/74/875484174.db2.gz KXPVAMJRPLQFCB-DEOSSOPVSA-N 2 2 391.515 3.919 20 10 GHCDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000809763769 887806298 /nfs/dbraw/zinc/80/62/98/887806298.db2.gz FOEKUXMXRDBCRQ-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000809763769 887806317 /nfs/dbraw/zinc/80/63/17/887806317.db2.gz FOEKUXMXRDBCRQ-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939051 895968895 /nfs/dbraw/zinc/96/88/95/895968895.db2.gz YDHUCDNLOVADGV-JTSKRJEESA-N 2 2 397.567 3.977 20 10 GHCDLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000818614689 896218169 /nfs/dbraw/zinc/21/81/69/896218169.db2.gz DSOPVPXDBZVLRH-GLYQVZKVSA-N 2 2 395.547 3.613 20 10 GHCDLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268795260 910021259 /nfs/dbraw/zinc/02/12/59/910021259.db2.gz ZRXLRNRORBJRHN-SFHVURJKSA-N 2 2 394.494 3.758 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc4ncccc4c3)CC2)cc1 ZINC000726707780 926817345 /nfs/dbraw/zinc/81/73/45/926817345.db2.gz GWPHQYYIIQHVDS-UHFFFAOYSA-N 2 2 390.531 3.545 20 10 GHCDLP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000757673400 929767444 /nfs/dbraw/zinc/76/74/44/929767444.db2.gz FUXWZGGCJKZCNS-GFCCVEGCSA-N 2 2 393.753 3.817 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CC(c4ccccc4)C3)CC2)cc1 ZINC000783532991 931573765 /nfs/dbraw/zinc/57/37/65/931573765.db2.gz YQVMCAIDQNOZML-UHFFFAOYSA-N 2 2 379.548 3.743 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001204340277 1032780985 /nfs/dbraw/zinc/78/09/85/1032780985.db2.gz KJFBMAAWUJJASV-OAHLLOKOSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001204340277 1032781001 /nfs/dbraw/zinc/78/10/01/1032781001.db2.gz KJFBMAAWUJJASV-OAHLLOKOSA-N 2 2 393.281 3.520 20 10 GHCDLP Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)c1 ZINC001140620471 1022092450 /nfs/dbraw/zinc/09/24/50/1022092450.db2.gz PONJKBKZQLJDMO-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)c1 ZINC001140620471 1022092466 /nfs/dbraw/zinc/09/24/66/1022092466.db2.gz PONJKBKZQLJDMO-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(O)c(C[NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001140620471 1022092478 /nfs/dbraw/zinc/09/24/78/1022092478.db2.gz PONJKBKZQLJDMO-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(O)c(C[NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001140620471 1022092493 /nfs/dbraw/zinc/09/24/93/1022092493.db2.gz PONJKBKZQLJDMO-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP COc1ccc2[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)c(C)cc2c1 ZINC001156652985 1033156209 /nfs/dbraw/zinc/15/62/09/1033156209.db2.gz ZQYHNZFKUWRILO-UHFFFAOYSA-N 2 2 376.504 3.916 20 10 GHCDLP COc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139256128 1026106261 /nfs/dbraw/zinc/10/62/61/1026106261.db2.gz UTNIXDWUQPULHB-UHFFFAOYSA-N 3 2 397.563 3.559 20 10 GHCDLP COc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139256128 1026106268 /nfs/dbraw/zinc/10/62/68/1026106268.db2.gz UTNIXDWUQPULHB-UHFFFAOYSA-N 3 2 397.563 3.559 20 10 GHCDLP COc1ccc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c(O)c1 ZINC001203630489 1027489929 /nfs/dbraw/zinc/48/99/29/1027489929.db2.gz TZLVDCSCTUFNGD-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP COc1ccc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c(O)c1 ZINC001203630489 1027489936 /nfs/dbraw/zinc/48/99/36/1027489936.db2.gz TZLVDCSCTUFNGD-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP COc1ccc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(O)c1 ZINC001203630489 1027489944 /nfs/dbraw/zinc/48/99/44/1027489944.db2.gz TZLVDCSCTUFNGD-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP COc1ccc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(O)c1 ZINC001203630489 1027489957 /nfs/dbraw/zinc/48/99/57/1027489957.db2.gz TZLVDCSCTUFNGD-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041835 1028061341 /nfs/dbraw/zinc/06/13/41/1028061341.db2.gz FRFRKALDWXMFIG-XMMPIXPASA-N 2 2 391.563 3.712 20 10 GHCDLP Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)c1O ZINC001231593257 1034747353 /nfs/dbraw/zinc/74/73/53/1034747353.db2.gz PAZPJMSIRIFSSC-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(C[N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)c1O ZINC001231593257 1034747365 /nfs/dbraw/zinc/74/73/65/1034747365.db2.gz PAZPJMSIRIFSSC-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(C[NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1O ZINC001231593257 1034747381 /nfs/dbraw/zinc/74/73/81/1034747381.db2.gz PAZPJMSIRIFSSC-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(C[NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1O ZINC001231593257 1034747393 /nfs/dbraw/zinc/74/73/93/1034747393.db2.gz PAZPJMSIRIFSSC-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001255968864 1041447473 /nfs/dbraw/zinc/44/74/73/1041447473.db2.gz LITRFERUUNVJEP-OAQYLSRUSA-N 2 2 396.579 3.903 20 10 GHCDLP COc1ccc(C[N@H+](Cc2cccc(Cl)c2O)C2CC[NH2+]CC2)cc1F ZINC001236518596 1041751806 /nfs/dbraw/zinc/75/18/06/1041751806.db2.gz UZUXCMNWRZJXQI-UHFFFAOYSA-N 2 2 378.875 3.948 20 10 GHCDLP COc1ccc(C[N@@H+](Cc2cccc(Cl)c2O)C2CC[NH2+]CC2)cc1F ZINC001236518596 1041751810 /nfs/dbraw/zinc/75/18/10/1041751810.db2.gz UZUXCMNWRZJXQI-UHFFFAOYSA-N 2 2 378.875 3.948 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC4(CCC4)C3)cc2Br)CC1 ZINC001237100999 1042035801 /nfs/dbraw/zinc/03/58/01/1042035801.db2.gz XPEHTDVDUIADKA-UHFFFAOYSA-N 2 2 378.358 3.577 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(CCC4)C3)cc2Br)CC1 ZINC001237100999 1042035809 /nfs/dbraw/zinc/03/58/09/1042035809.db2.gz XPEHTDVDUIADKA-UHFFFAOYSA-N 2 2 378.358 3.577 20 10 GHCDLP Oc1c(C[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cccc1OC(F)(F)F ZINC001237310744 1042138805 /nfs/dbraw/zinc/13/88/05/1042138805.db2.gz LHDVAWGSNPKFLC-UHFFFAOYSA-N 2 2 378.394 3.885 20 10 GHCDLP Oc1c(C[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cccc1OC(F)(F)F ZINC001237310744 1042138808 /nfs/dbraw/zinc/13/88/08/1042138808.db2.gz LHDVAWGSNPKFLC-UHFFFAOYSA-N 2 2 378.394 3.885 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC001256538149 1043483820 /nfs/dbraw/zinc/48/38/20/1043483820.db2.gz RGOVXXSGNBKMBY-NFBKMPQASA-N 2 2 379.548 3.870 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC001256538149 1043483829 /nfs/dbraw/zinc/48/38/29/1043483829.db2.gz RGOVXXSGNBKMBY-NFBKMPQASA-N 2 2 379.548 3.870 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(Cl)cc3O)CC2)cc1 ZINC001308771440 1050088576 /nfs/dbraw/zinc/08/85/76/1050088576.db2.gz HQTHDNSWFPUNRD-UHFFFAOYSA-N 2 2 387.911 3.758 20 10 GHCDLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856551816 881373852 /nfs/dbraw/zinc/37/38/52/881373852.db2.gz AHLUDXAGWQUXHN-GOSISDBHSA-N 2 2 375.900 3.546 20 10 GHCDLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856551816 881373871 /nfs/dbraw/zinc/37/38/71/881373871.db2.gz AHLUDXAGWQUXHN-GOSISDBHSA-N 2 2 375.900 3.546 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856551816 881373891 /nfs/dbraw/zinc/37/38/91/881373891.db2.gz AHLUDXAGWQUXHN-GOSISDBHSA-N 2 2 375.900 3.546 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856551816 881373913 /nfs/dbraw/zinc/37/39/13/881373913.db2.gz AHLUDXAGWQUXHN-GOSISDBHSA-N 2 2 375.900 3.546 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3nccc4ccccc43)CC2)cc1 ZINC000740898347 866088258 /nfs/dbraw/zinc/08/82/58/866088258.db2.gz UQDGZYXAGTYSCC-UHFFFAOYSA-N 2 2 390.531 3.545 20 10 GHCDLP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc(Cl)cc(F)c3O)cc2)CC1 ZINC000793624118 882339413 /nfs/dbraw/zinc/33/94/13/882339413.db2.gz LSPHLNWZPDBXEJ-UHFFFAOYSA-N 2 2 378.875 3.948 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)CCc3ccc(O)cc3)CC2)cc1 ZINC000768516562 873378476 /nfs/dbraw/zinc/37/84/76/873378476.db2.gz ZNGXQWJTKDPLGT-HXUWFJFHSA-N 2 2 397.563 3.524 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCc4ccc(O)cc43)CC2)cc1 ZINC000788508929 878114490 /nfs/dbraw/zinc/11/44/90/878114490.db2.gz WFDXPSNKXVCJEB-DEOSSOPVSA-N 2 2 395.547 3.580 20 10 GHCDLP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Cl)c1O ZINC000287285665 913236060 /nfs/dbraw/zinc/23/60/60/913236060.db2.gz BRWBPTFVNBFANI-LJQANCHMSA-N 2 2 389.927 3.578 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnc(Cl)c3Cl)cc2F)CC1 ZINC000811478532 889666025 /nfs/dbraw/zinc/66/60/25/889666025.db2.gz KYIDLYXSTPLNMQ-UHFFFAOYSA-N 2 2 397.325 3.959 20 10 GHCDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942369 895970664 /nfs/dbraw/zinc/97/06/64/895970664.db2.gz OLKILWFLDYWTGU-WMZOPIPTSA-N 2 2 388.537 3.821 20 10 GHCDLP CN(Cc1cccs1)c1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000823453214 899033865 /nfs/dbraw/zinc/03/38/65/899033865.db2.gz KXEIJGQLBCDUMV-UHFFFAOYSA-N 2 2 387.593 3.663 20 10 GHCDLP CN(Cc1cccs1)c1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000823453214 899033880 /nfs/dbraw/zinc/03/38/80/899033880.db2.gz KXEIJGQLBCDUMV-UHFFFAOYSA-N 2 2 387.593 3.663 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172708086 905792442 /nfs/dbraw/zinc/79/24/42/905792442.db2.gz BBOGTAALZXNSPH-NRFANRHFSA-N 2 2 399.966 3.618 20 10 GHCDLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1O ZINC000800528659 920245469 /nfs/dbraw/zinc/24/54/69/920245469.db2.gz SYPBVNCDUURDGW-AWEZNQCLSA-N 2 2 375.900 3.967 20 10 GHCDLP COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1O ZINC000800528659 920245476 /nfs/dbraw/zinc/24/54/76/920245476.db2.gz SYPBVNCDUURDGW-AWEZNQCLSA-N 2 2 375.900 3.967 20 10 GHCDLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155630065 1032609441 /nfs/dbraw/zinc/60/94/41/1032609441.db2.gz POQKWYGOVNAGMO-GPQLQYNLSA-N 2 2 395.547 3.884 20 10 GHCDLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155630065 1032609448 /nfs/dbraw/zinc/60/94/48/1032609448.db2.gz POQKWYGOVNAGMO-GPQLQYNLSA-N 2 2 395.547 3.884 20 10 GHCDLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140467170 1021762634 /nfs/dbraw/zinc/76/26/34/1021762634.db2.gz NXJWDWVJVWVNES-GOSISDBHSA-N 2 2 390.911 3.894 20 10 GHCDLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140467170 1021762648 /nfs/dbraw/zinc/76/26/48/1021762648.db2.gz NXJWDWVJVWVNES-GOSISDBHSA-N 2 2 390.911 3.894 20 10 GHCDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838899632 1025426873 /nfs/dbraw/zinc/42/68/73/1025426873.db2.gz IWGAPAAEIJRKDM-OAHLLOKOSA-N 2 2 377.330 3.814 20 10 GHCDLP COc1cc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc(C[NH+](C)C)c1O ZINC001139253521 1026103795 /nfs/dbraw/zinc/10/37/95/1026103795.db2.gz XBVIKRXXIJYWND-HSZRJFAPSA-N 2 2 391.515 3.869 20 10 GHCDLP COc1cc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc(C[NH+](C)C)c1O ZINC001139253521 1026103801 /nfs/dbraw/zinc/10/38/01/1026103801.db2.gz XBVIKRXXIJYWND-HSZRJFAPSA-N 2 2 391.515 3.869 20 10 GHCDLP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045896 1028064576 /nfs/dbraw/zinc/06/45/76/1028064576.db2.gz SFWYLTIBLAMYBJ-QFIPXVFZSA-N 2 2 376.504 3.613 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)cc1 ZINC000841045703 1028066750 /nfs/dbraw/zinc/06/67/50/1028066750.db2.gz OKHBIUUBTNEGFJ-QHCPKHFHSA-N 2 2 391.515 3.827 20 10 GHCDLP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)[C@H](c2ccccc2)C1 ZINC000842766524 1029572775 /nfs/dbraw/zinc/57/27/75/1029572775.db2.gz UAFIZZWKOQXDQU-SJORKVTESA-N 2 2 375.310 3.590 20 10 GHCDLP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)[C@H](c2ccccc2)C1 ZINC000842766524 1029572785 /nfs/dbraw/zinc/57/27/85/1029572785.db2.gz UAFIZZWKOQXDQU-SJORKVTESA-N 2 2 375.310 3.590 20 10 GHCDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(OCc3ccccc3)cc1O)CC2 ZINC001231466828 1034612498 /nfs/dbraw/zinc/61/24/98/1034612498.db2.gz FOPMIWCUKOKSIK-UHFFFAOYSA-N 2 2 395.503 3.601 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1Cl ZINC001232265778 1037986095 /nfs/dbraw/zinc/98/60/95/1037986095.db2.gz AWHBAVTWNROACU-HUUCEWRRSA-N 2 2 378.925 3.680 20 10 GHCDLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233333252 1039129703 /nfs/dbraw/zinc/12/97/03/1039129703.db2.gz OYPNQTSFDDHTCR-OAHLLOKOSA-N 2 2 392.446 3.519 20 10 GHCDLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233333252 1039129738 /nfs/dbraw/zinc/12/97/38/1039129738.db2.gz OYPNQTSFDDHTCR-OAHLLOKOSA-N 2 2 392.446 3.519 20 10 GHCDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236932143 1041963605 /nfs/dbraw/zinc/96/36/05/1041963605.db2.gz VHDPNGOXZCMGSD-LJQANCHMSA-N 2 2 387.911 3.533 20 10 GHCDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236932143 1041963606 /nfs/dbraw/zinc/96/36/06/1041963606.db2.gz VHDPNGOXZCMGSD-LJQANCHMSA-N 2 2 387.911 3.533 20 10 GHCDLP COc1cc(C[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c(O)c(OC)c1 ZINC001237682264 1042322454 /nfs/dbraw/zinc/32/24/54/1042322454.db2.gz XIUAKHMSXLSPNS-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP COc1cc(C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c(O)c(OC)c1 ZINC001237682264 1042322462 /nfs/dbraw/zinc/32/24/62/1042322462.db2.gz XIUAKHMSXLSPNS-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000180781220 837538369 /nfs/dbraw/zinc/53/83/69/837538369.db2.gz COLXQPMGKCHIJN-CXAGYDPISA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000180781220 837538378 /nfs/dbraw/zinc/53/83/78/837538378.db2.gz COLXQPMGKCHIJN-CXAGYDPISA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000180781220 837538383 /nfs/dbraw/zinc/53/83/83/837538383.db2.gz COLXQPMGKCHIJN-CXAGYDPISA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000180781220 837538396 /nfs/dbraw/zinc/53/83/96/837538396.db2.gz COLXQPMGKCHIJN-CXAGYDPISA-N 2 2 395.341 3.612 20 10 GHCDLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000155169484 881595028 /nfs/dbraw/zinc/59/50/28/881595028.db2.gz XUXXTAYAOMISMB-XMMPIXPASA-N 2 2 397.563 3.705 20 10 GHCDLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000742387644 867253509 /nfs/dbraw/zinc/25/35/09/867253509.db2.gz IRTSMXMHFXSKFT-KRWDZBQOSA-N 2 2 386.293 3.962 20 10 GHCDLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000841031428 869330048 /nfs/dbraw/zinc/33/00/48/869330048.db2.gz RXUDKPHEDBAQRL-TVQRCGJNSA-N 2 2 392.135 3.524 20 10 GHCDLP Fc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1N1CCOCC1 ZINC000769314090 873959093 /nfs/dbraw/zinc/95/90/93/873959093.db2.gz CZKYNGZJSYTXCA-OAQYLSRUSA-N 2 2 389.559 3.750 20 10 GHCDLP Fc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1N1CCOCC1 ZINC000769314090 873959104 /nfs/dbraw/zinc/95/91/04/873959104.db2.gz CZKYNGZJSYTXCA-OAQYLSRUSA-N 2 2 389.559 3.750 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)c(N(C)C)cc3F)c2)CCO1 ZINC000858107910 882852393 /nfs/dbraw/zinc/85/23/93/882852393.db2.gz LYZQSCICJBQGFV-MRXNPFEDSA-N 2 2 389.490 3.541 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(F)c(N(C)C)cc3F)c2)CCO1 ZINC000858107910 882852414 /nfs/dbraw/zinc/85/24/14/882852414.db2.gz LYZQSCICJBQGFV-MRXNPFEDSA-N 2 2 389.490 3.541 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000788504122 878110520 /nfs/dbraw/zinc/11/05/20/878110520.db2.gz FZBMHHQKSDPJEH-QHCPKHFHSA-N 2 2 395.547 3.580 20 10 GHCDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000762648108 886615714 /nfs/dbraw/zinc/61/57/14/886615714.db2.gz GYRAIGCHOWSUOQ-WMLDXEAASA-N 2 2 385.346 3.696 20 10 GHCDLP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000762648108 886615720 /nfs/dbraw/zinc/61/57/20/886615720.db2.gz GYRAIGCHOWSUOQ-WMLDXEAASA-N 2 2 385.346 3.696 20 10 GHCDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000809763632 887804617 /nfs/dbraw/zinc/80/46/17/887804617.db2.gz DATWCXACCHVONX-UHFFFAOYSA-N 2 2 379.548 3.620 20 10 GHCDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000809763632 887804626 /nfs/dbraw/zinc/80/46/26/887804626.db2.gz DATWCXACCHVONX-UHFFFAOYSA-N 2 2 379.548 3.620 20 10 GHCDLP CSC1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC[NH+](C)CC1 ZINC000810253168 888353792 /nfs/dbraw/zinc/35/37/92/888353792.db2.gz NJVHRDIZJMZAJX-NSHDSACASA-N 2 2 391.350 3.772 20 10 GHCDLP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683827 888533832 /nfs/dbraw/zinc/53/38/32/888533832.db2.gz BYDCLTPLBOZXMB-DNQXCXABSA-N 2 2 379.548 3.666 20 10 GHCDLP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683827 888533845 /nfs/dbraw/zinc/53/38/45/888533845.db2.gz BYDCLTPLBOZXMB-DNQXCXABSA-N 2 2 379.548 3.666 20 10 GHCDLP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(Br)cc(F)c1O ZINC000873235553 891538783 /nfs/dbraw/zinc/53/87/83/891538783.db2.gz OIDYCUHEOUITSY-LLVKDONJSA-N 2 2 379.273 3.790 20 10 GHCDLP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c(O)c1 ZINC000815569319 894004675 /nfs/dbraw/zinc/00/46/75/894004675.db2.gz OSSZIXHCXVNDFF-IBGZPJMESA-N 2 2 384.520 3.571 20 10 GHCDLP CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000774909405 914005586 /nfs/dbraw/zinc/00/55/86/914005586.db2.gz MOQKSDADIJCFGF-SFHVURJKSA-N 2 2 399.491 3.653 20 10 GHCDLP CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000774909405 914005603 /nfs/dbraw/zinc/00/56/03/914005603.db2.gz MOQKSDADIJCFGF-SFHVURJKSA-N 2 2 399.491 3.653 20 10 GHCDLP CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000774909405 914005621 /nfs/dbraw/zinc/00/56/21/914005621.db2.gz MOQKSDADIJCFGF-SFHVURJKSA-N 2 2 399.491 3.653 20 10 GHCDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Br)ccc1O ZINC000817941039 895970446 /nfs/dbraw/zinc/97/04/46/895970446.db2.gz IKKSBEPEPCVHTE-QZTJIDSGSA-N 2 2 392.341 3.961 20 10 GHCDLP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000817983980 895993689 /nfs/dbraw/zinc/99/36/89/895993689.db2.gz SYQSBIRRIWDZNT-HTWSVDAQSA-N 2 2 385.474 3.668 20 10 GHCDLP Oc1c(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc2c3c1CCCN3CCC2 ZINC001138338705 1024701497 /nfs/dbraw/zinc/70/14/97/1024701497.db2.gz UDGPSAYFZYQQDT-UHFFFAOYSA-N 2 2 379.504 3.529 20 10 GHCDLP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001163486117 1026210391 /nfs/dbraw/zinc/21/03/91/1026210391.db2.gz DNURDDUYAJDCOA-JOCHJYFZSA-N 2 2 380.536 3.891 20 10 GHCDLP Oc1cccc(Br)c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140101242 1026881581 /nfs/dbraw/zinc/88/15/81/1026881581.db2.gz MZRBVFBCFYLJRR-IAGOWNOFSA-N 2 2 387.321 3.719 20 10 GHCDLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000841031427 1028056908 /nfs/dbraw/zinc/05/69/08/1028056908.db2.gz RXUDKPHEDBAQRL-RNCFNFMXSA-N 2 2 392.135 3.524 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608851 1030232825 /nfs/dbraw/zinc/23/28/25/1030232825.db2.gz GPHJIZIAFKNKNG-KRWDZBQOSA-N 2 2 387.321 3.652 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222608851 1030232842 /nfs/dbraw/zinc/23/28/42/1030232842.db2.gz GPHJIZIAFKNKNG-KRWDZBQOSA-N 2 2 387.321 3.652 20 10 GHCDLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001206755832 1033970546 /nfs/dbraw/zinc/97/05/46/1033970546.db2.gz RUQWTRZYXXXNRS-UHFFFAOYSA-N 2 2 393.300 3.786 20 10 GHCDLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc4ccccc4c3O)CC2)CC1 ZINC001231879638 1034963857 /nfs/dbraw/zinc/96/38/57/1034963857.db2.gz LPUDWWDXGWSDIY-UHFFFAOYSA-N 2 2 396.531 3.785 20 10 GHCDLP CCOC(=O)C1CCC([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC1 ZINC001255253133 1040927886 /nfs/dbraw/zinc/92/78/86/1040927886.db2.gz DLXVNONHUYZOAV-KFDDOUNDSA-N 2 2 398.503 3.550 20 10 GHCDLP Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCCN3C)C2CC[NH2+]CC2)c(F)c1 ZINC001236490219 1041737569 /nfs/dbraw/zinc/73/75/69/1041737569.db2.gz LNCJXOJHZFZZQD-UHFFFAOYSA-N 2 2 383.511 3.717 20 10 GHCDLP Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCCN3C)C2CC[NH2+]CC2)c(F)c1 ZINC001236490219 1041737573 /nfs/dbraw/zinc/73/75/73/1041737573.db2.gz LNCJXOJHZFZZQD-UHFFFAOYSA-N 2 2 383.511 3.717 20 10 GHCDLP CC1(C)[NH2+][C@@H](CC[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CO1 ZINC001237250337 1042107751 /nfs/dbraw/zinc/10/77/51/1042107751.db2.gz VDZQIXLTTSFHCX-NRFANRHFSA-N 2 2 395.547 3.502 20 10 GHCDLP CC(C)c1[nH+]c(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2ccccn21 ZINC001308544947 1050004798 /nfs/dbraw/zinc/00/47/98/1050004798.db2.gz WWYUKYCXNMMHNC-QFIPXVFZSA-N 2 2 379.552 3.916 20 10 GHCDLP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)c1O ZINC000359864272 209195678 /nfs/dbraw/zinc/19/56/78/209195678.db2.gz ATSMWZYILKNCQK-YVEFUNNKSA-N 2 2 395.956 3.819 20 10 GHCDLP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)c1O ZINC000359864272 209195681 /nfs/dbraw/zinc/19/56/81/209195681.db2.gz ATSMWZYILKNCQK-YVEFUNNKSA-N 2 2 395.956 3.819 20 10 GHCDLP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000922952261 858880033 /nfs/dbraw/zinc/88/00/33/858880033.db2.gz ILPINJKMFFUWOF-OAQYLSRUSA-N 2 2 385.577 3.727 20 10 GHCDLP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000922952261 858880041 /nfs/dbraw/zinc/88/00/41/858880041.db2.gz ILPINJKMFFUWOF-OAQYLSRUSA-N 2 2 385.577 3.727 20 10 GHCDLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(O)ccc(Cl)c3F)C2)ccn1 ZINC000856550150 881364090 /nfs/dbraw/zinc/36/40/90/881364090.db2.gz ACBJJUZAYDIEMB-MRXNPFEDSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(O)ccc(Cl)c3F)C2)ccn1 ZINC000856550150 881364110 /nfs/dbraw/zinc/36/41/10/881364110.db2.gz ACBJJUZAYDIEMB-MRXNPFEDSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)ccn1 ZINC000856550150 881364128 /nfs/dbraw/zinc/36/41/28/881364128.db2.gz ACBJJUZAYDIEMB-MRXNPFEDSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)ccn1 ZINC000856550150 881364139 /nfs/dbraw/zinc/36/41/39/881364139.db2.gz ACBJJUZAYDIEMB-MRXNPFEDSA-N 2 2 393.890 3.685 20 10 GHCDLP COc1ccc(O)c([C@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000185508909 860858866 /nfs/dbraw/zinc/85/88/66/860858866.db2.gz BNXHDFMTMMLVRU-MSOLQXFVSA-N 2 2 384.520 3.951 20 10 GHCDLP Oc1cccc(Br)c1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000858124673 882864160 /nfs/dbraw/zinc/86/41/60/882864160.db2.gz YLZRCRFJVCEQDR-QGZVFWFLSA-N 2 2 389.337 3.809 20 10 GHCDLP Oc1cccc(Br)c1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000858124673 882864175 /nfs/dbraw/zinc/86/41/75/882864175.db2.gz YLZRCRFJVCEQDR-QGZVFWFLSA-N 2 2 389.337 3.809 20 10 GHCDLP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc(Br)cc(F)c1O ZINC000873235554 891538705 /nfs/dbraw/zinc/53/87/05/891538705.db2.gz OIDYCUHEOUITSY-NSHDSACASA-N 2 2 379.273 3.790 20 10 GHCDLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938840 895966300 /nfs/dbraw/zinc/96/63/00/895966300.db2.gz UJMXIXIMSFLUBF-IFXJQAMLSA-N 2 2 381.549 3.930 20 10 GHCDLP COc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)C2)cc1 ZINC000818219269 896084805 /nfs/dbraw/zinc/08/48/05/896084805.db2.gz AZUDXXZZQQPOSE-INIZCTEOSA-N 2 2 385.474 3.528 20 10 GHCDLP COc1c(O)c(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775034966 914655716 /nfs/dbraw/zinc/65/57/16/914655716.db2.gz VLOHPJVICFSUIX-IGOJGBNBSA-N 2 2 399.491 3.555 20 10 GHCDLP COc1c(O)c(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775034966 914655718 /nfs/dbraw/zinc/65/57/18/914655718.db2.gz VLOHPJVICFSUIX-IGOJGBNBSA-N 2 2 399.491 3.555 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000749123656 924033823 /nfs/dbraw/zinc/03/38/23/924033823.db2.gz HRGOCZKBPRRGML-IBGZPJMESA-N 2 2 383.536 3.567 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000798935637 932823409 /nfs/dbraw/zinc/82/34/09/932823409.db2.gz QEKFIEIOAJCEGH-SBUREZEXSA-N 2 2 382.504 3.742 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798935637 932823413 /nfs/dbraw/zinc/82/34/13/932823413.db2.gz QEKFIEIOAJCEGH-SBUREZEXSA-N 2 2 382.504 3.742 20 10 GHCDLP CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116606276 933660290 /nfs/dbraw/zinc/66/02/90/933660290.db2.gz PZCYLPSUGLETHE-UHFFFAOYSA-N 2 2 385.462 3.698 20 10 GHCDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c2ccccc21 ZINC001204235097 1032681357 /nfs/dbraw/zinc/68/13/57/1032681357.db2.gz GARHKVFDXJUUSY-FGZHOGPDSA-N 2 2 386.543 3.865 20 10 GHCDLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138497572 1024929197 /nfs/dbraw/zinc/92/91/97/1024929197.db2.gz JSJCPIIVASOGDI-UHFFFAOYSA-N 2 2 379.548 3.620 20 10 GHCDLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138497572 1024929200 /nfs/dbraw/zinc/92/92/00/1024929200.db2.gz JSJCPIIVASOGDI-UHFFFAOYSA-N 2 2 379.548 3.620 20 10 GHCDLP COc1ccc(N(c2ccc(N)cc2)c2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210265624 1027413316 /nfs/dbraw/zinc/41/33/16/1027413316.db2.gz FWEFQHGTTDCNQT-UHFFFAOYSA-N 2 2 375.476 3.552 20 10 GHCDLP COc1ccc(O)c(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1 ZINC001203673330 1027523663 /nfs/dbraw/zinc/52/36/63/1027523663.db2.gz VJJVSHNKQKXFOI-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP COc1ccc(O)c(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1 ZINC001203673330 1027523672 /nfs/dbraw/zinc/52/36/72/1027523672.db2.gz VJJVSHNKQKXFOI-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP COc1ccc(O)c(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001203673330 1027523680 /nfs/dbraw/zinc/52/36/80/1027523680.db2.gz VJJVSHNKQKXFOI-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP COc1ccc(O)c(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001203673330 1027523690 /nfs/dbraw/zinc/52/36/90/1027523690.db2.gz VJJVSHNKQKXFOI-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1Cl ZINC001232269060 1037991827 /nfs/dbraw/zinc/99/18/27/1037991827.db2.gz ZYVJOGUASFZIAQ-OALUTQOASA-N 2 2 386.923 3.926 20 10 GHCDLP COC(=O)c1c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c2ccccc2n1C ZINC001232410996 1038194309 /nfs/dbraw/zinc/19/43/09/1038194309.db2.gz XJHKGSRXRSCMMK-UHFFFAOYSA-N 2 2 383.536 3.804 20 10 GHCDLP COC(=O)c1c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c2ccccc2n1C ZINC001232410996 1038194313 /nfs/dbraw/zinc/19/43/13/1038194313.db2.gz XJHKGSRXRSCMMK-UHFFFAOYSA-N 2 2 383.536 3.804 20 10 GHCDLP COc1cc(O)c(C[N@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)c(OC)c1 ZINC001236483471 1041735146 /nfs/dbraw/zinc/73/51/46/1041735146.db2.gz PFXGWOPKAYYQOG-UHFFFAOYSA-N 2 2 388.483 3.611 20 10 GHCDLP COc1cc(O)c(C[N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)c(OC)c1 ZINC001236483471 1041735152 /nfs/dbraw/zinc/73/51/52/1041735152.db2.gz PFXGWOPKAYYQOG-UHFFFAOYSA-N 2 2 388.483 3.611 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccc4ncccc34)CC2)cc1 ZINC001308187009 1049905001 /nfs/dbraw/zinc/90/50/01/1049905001.db2.gz QFASZEPDZJNPSI-UHFFFAOYSA-N 2 2 390.531 3.545 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2c1c(F)ccc2O ZINC000760020260 852016948 /nfs/dbraw/zinc/01/69/48/852016948.db2.gz UQRDALOKFFOEIN-POAQFYNOSA-N 2 2 384.495 3.960 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2c1c(F)ccc2O ZINC000760020260 852016952 /nfs/dbraw/zinc/01/69/52/852016952.db2.gz UQRDALOKFFOEIN-POAQFYNOSA-N 2 2 384.495 3.960 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccccc3OC)CC2)cc1 ZINC000764677218 859564917 /nfs/dbraw/zinc/56/49/17/859564917.db2.gz XIJPFYZLORIXDH-IBGZPJMESA-N 2 2 383.536 3.567 20 10 GHCDLP COc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000766008152 860819189 /nfs/dbraw/zinc/81/91/89/860819189.db2.gz DUEOFKFIWIJCIF-HSZRJFAPSA-N 2 2 379.548 3.918 20 10 GHCDLP COc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000766008152 860819199 /nfs/dbraw/zinc/81/91/99/860819199.db2.gz DUEOFKFIWIJCIF-HSZRJFAPSA-N 2 2 379.548 3.918 20 10 GHCDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc2c(cc1O)CCCC2 ZINC000185063353 865143094 /nfs/dbraw/zinc/14/30/94/865143094.db2.gz GUQGVOKLNNNWBJ-SFHVURJKSA-N 2 2 380.532 3.954 20 10 GHCDLP COc1ccc([C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817903628 895955597 /nfs/dbraw/zinc/95/55/97/895955597.db2.gz SADYYVFUJIQBKA-ZEQRLZLVSA-N 2 2 395.547 3.756 20 10 GHCDLP Cc1cc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc(C)[nH+]1 ZINC000569210843 898430979 /nfs/dbraw/zinc/43/09/79/898430979.db2.gz GZZGHMPWUDFFBS-UHFFFAOYSA-N 2 2 390.531 3.736 20 10 GHCDLP Cc1cc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc(C)[nH+]1 ZINC000569210843 898430988 /nfs/dbraw/zinc/43/09/88/898430988.db2.gz GZZGHMPWUDFFBS-UHFFFAOYSA-N 2 2 390.531 3.736 20 10 GHCDLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824477220 899621001 /nfs/dbraw/zinc/62/10/01/899621001.db2.gz MDWRJRKJMRPRNU-UHFFFAOYSA-N 2 2 382.895 3.652 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000245713431 909849327 /nfs/dbraw/zinc/84/93/27/909849327.db2.gz COLXQPMGKCHIJN-SUMWQHHRSA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000245713431 909849335 /nfs/dbraw/zinc/84/93/35/909849335.db2.gz COLXQPMGKCHIJN-SUMWQHHRSA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000245713431 909849342 /nfs/dbraw/zinc/84/93/42/909849342.db2.gz COLXQPMGKCHIJN-SUMWQHHRSA-N 2 2 395.341 3.612 20 10 GHCDLP COc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000245713431 909849352 /nfs/dbraw/zinc/84/93/52/909849352.db2.gz COLXQPMGKCHIJN-SUMWQHHRSA-N 2 2 395.341 3.612 20 10 GHCDLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)c1ccccc1O ZINC000775484690 918233970 /nfs/dbraw/zinc/23/39/70/918233970.db2.gz HNBFJDXHGBSTFA-QFIPXVFZSA-N 2 2 383.536 3.654 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000756402021 1023629382 /nfs/dbraw/zinc/62/93/82/1023629382.db2.gz KSGYZDKWZANLMW-KRWDZBQOSA-N 2 2 382.504 3.537 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000756459621 1023662824 /nfs/dbraw/zinc/66/28/24/1023662824.db2.gz NHQOYJPSEAYBNP-ZDUSSCGKSA-N 2 2 383.423 3.663 20 10 GHCDLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)cc(F)c1O ZINC000756546960 1023708535 /nfs/dbraw/zinc/70/85/35/1023708535.db2.gz WVYGWOLKQHRQKD-KBPBESRZSA-N 2 2 393.453 3.973 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000756636932 1023747339 /nfs/dbraw/zinc/74/73/39/1023747339.db2.gz XVHVNMVQNOYYHE-LLGFUMIMSA-N 2 2 382.504 3.740 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000756636932 1023747353 /nfs/dbraw/zinc/74/73/53/1023747353.db2.gz XVHVNMVQNOYYHE-LLGFUMIMSA-N 2 2 382.504 3.740 20 10 GHCDLP COc1cc2cc[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2cc1F ZINC001156658838 1033160757 /nfs/dbraw/zinc/16/07/57/1033160757.db2.gz GXTHIZVSAWYTJJ-UHFFFAOYSA-N 2 2 380.467 3.746 20 10 GHCDLP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001205592724 1033484034 /nfs/dbraw/zinc/48/40/34/1033484034.db2.gz XOZOCEMTKRESOQ-AWEZNQCLSA-N 2 2 399.226 3.826 20 10 GHCDLP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001205592724 1033484027 /nfs/dbraw/zinc/48/40/27/1033484027.db2.gz XOZOCEMTKRESOQ-AWEZNQCLSA-N 2 2 399.226 3.826 20 10 GHCDLP Cc1cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)nc(C2CC2)[nH+]1 ZINC001160624883 1035019417 /nfs/dbraw/zinc/01/94/17/1035019417.db2.gz UZPPUGHRZNHDCX-NHCUHLMSSA-N 2 2 376.460 3.927 20 10 GHCDLP Cc1cc(Br)cc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)c1O ZINC001233111767 1038903439 /nfs/dbraw/zinc/90/34/39/1038903439.db2.gz WXJWQEUWZZVIJY-KRWDZBQOSA-N 2 2 377.282 3.902 20 10 GHCDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(O)ccc(F)c3F)C[C@H]21 ZINC001233334834 1039134786 /nfs/dbraw/zinc/13/47/86/1039134786.db2.gz VQVSWIGFIGTOTO-XAUMDUMWSA-N 2 2 387.474 3.798 20 10 GHCDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(O)ccc(F)c3F)C[C@H]21 ZINC001233334834 1039134793 /nfs/dbraw/zinc/13/47/93/1039134793.db2.gz VQVSWIGFIGTOTO-XAUMDUMWSA-N 2 2 387.474 3.798 20 10 GHCDLP COC(=O)c1c(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)c2ccccc2n1C ZINC001236300625 1041665342 /nfs/dbraw/zinc/66/53/42/1041665342.db2.gz HZKUUNDLYDAAAM-UHFFFAOYSA-N 2 2 391.515 3.719 20 10 GHCDLP COC(=O)c1c(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c2ccccc2n1C ZINC001236300625 1041665347 /nfs/dbraw/zinc/66/53/47/1041665347.db2.gz HZKUUNDLYDAAAM-UHFFFAOYSA-N 2 2 391.515 3.719 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236647982 1041802858 /nfs/dbraw/zinc/80/28/58/1041802858.db2.gz OGXOTFLCAFWYFZ-MRXNPFEDSA-N 2 2 383.330 3.660 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236647982 1041802861 /nfs/dbraw/zinc/80/28/61/1041802861.db2.gz OGXOTFLCAFWYFZ-MRXNPFEDSA-N 2 2 383.330 3.660 20 10 GHCDLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(O)cc1Br ZINC001236749385 1041871144 /nfs/dbraw/zinc/87/11/44/1041871144.db2.gz BKYMVCGVHNVQNC-AWEZNQCLSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(O)cc1Br ZINC001236749385 1041871149 /nfs/dbraw/zinc/87/11/49/1041871149.db2.gz BKYMVCGVHNVQNC-AWEZNQCLSA-N 2 2 393.281 3.520 20 10 GHCDLP Oc1c(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cccc1OC(F)(F)F ZINC001237363246 1042170859 /nfs/dbraw/zinc/17/08/59/1042170859.db2.gz HOMDHCWYOTYHLK-UHFFFAOYSA-N 2 2 378.394 3.885 20 10 GHCDLP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001279442146 1047808343 /nfs/dbraw/zinc/80/83/43/1047808343.db2.gz MDPLLJMEOQFXTF-UHFFFAOYSA-N 2 2 377.941 3.909 20 10 GHCDLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)c(Cl)cc1O)CC2 ZINC001279665950 1047905857 /nfs/dbraw/zinc/90/58/57/1047905857.db2.gz ZUYWSQUXGGESML-UHFFFAOYSA-N 2 2 386.367 3.549 20 10 GHCDLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)c(Cl)cc1O)CC2 ZINC001279665950 1047905860 /nfs/dbraw/zinc/90/58/60/1047905860.db2.gz ZUYWSQUXGGESML-UHFFFAOYSA-N 2 2 386.367 3.549 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)cc2F)CC1 ZINC001340794793 1060131832 /nfs/dbraw/zinc/13/18/32/1060131832.db2.gz CBTGLGWPOILPIV-ZWKOTPCHSA-N 2 2 386.342 3.593 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)cc2F)CC1 ZINC001340794793 1060131838 /nfs/dbraw/zinc/13/18/38/1060131838.db2.gz CBTGLGWPOILPIV-ZWKOTPCHSA-N 2 2 386.342 3.593 20 10 GHCDLP COc1c(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278838102 840730501 /nfs/dbraw/zinc/73/05/01/840730501.db2.gz JOSGJMDLFUZTNR-YQQQUEKLSA-N 2 2 397.475 3.594 20 10 GHCDLP COc1c(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278838102 840730513 /nfs/dbraw/zinc/73/05/13/840730513.db2.gz JOSGJMDLFUZTNR-YQQQUEKLSA-N 2 2 397.475 3.594 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc(Cl)nc3)CC2)cc1 ZINC000179097787 866382685 /nfs/dbraw/zinc/38/26/85/866382685.db2.gz RFBYPZYNENOTNX-QGZVFWFLSA-N 2 2 388.943 3.607 20 10 GHCDLP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(Cl)c1O ZINC000806144659 884403278 /nfs/dbraw/zinc/40/32/78/884403278.db2.gz SUXFNULHONJXML-SFHVURJKSA-N 2 2 395.975 3.713 20 10 GHCDLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939052 895969318 /nfs/dbraw/zinc/96/93/18/895969318.db2.gz YDHUCDNLOVADGV-VGOFRKELSA-N 2 2 397.567 3.977 20 10 GHCDLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2ccccc21 ZINC000817943541 895972241 /nfs/dbraw/zinc/97/22/41/895972241.db2.gz VFHFIIMIYWHVBV-VSKRKVRLSA-N 2 2 381.520 3.524 20 10 GHCDLP COc1c(O)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1[N+](=O)[O-] ZINC000365805462 921175926 /nfs/dbraw/zinc/17/59/26/921175926.db2.gz KPBDQCLBSOIYQO-ZDUSSCGKSA-N 2 2 382.420 3.654 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cc(C)ccc3O)CC2)cc1 ZINC000834887907 1021624788 /nfs/dbraw/zinc/62/47/88/1021624788.db2.gz ZBWNUVOYJSVJKW-KRWDZBQOSA-N 2 2 381.520 3.974 20 10 GHCDLP Oc1cc(Cl)ccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001140467902 1021764469 /nfs/dbraw/zinc/76/44/69/1021764469.db2.gz ZNDSKYYHNWPLRX-UHFFFAOYSA-N 2 2 376.884 3.506 20 10 GHCDLP Oc1cc(Cl)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001140467902 1021764486 /nfs/dbraw/zinc/76/44/86/1021764486.db2.gz ZNDSKYYHNWPLRX-UHFFFAOYSA-N 2 2 376.884 3.506 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cc(C)ccc3O)CC2)cc1 ZINC000756357635 1023604155 /nfs/dbraw/zinc/60/41/55/1023604155.db2.gz GHUGUGHVHGWAMG-IBGZPJMESA-N 2 2 383.536 3.572 20 10 GHCDLP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000756463775 1023665896 /nfs/dbraw/zinc/66/58/96/1023665896.db2.gz DCEVIRSCCRXNHH-KRWDZBQOSA-N 2 2 389.490 3.923 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cc(F)cc(F)c1O ZINC000756568994 1023715667 /nfs/dbraw/zinc/71/56/67/1023715667.db2.gz KEVSRJLGPGBZQC-OAHLLOKOSA-N 2 2 376.447 3.996 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000756622832 1023741178 /nfs/dbraw/zinc/74/11/78/1023741178.db2.gz ZJMJVBAZFPSVOY-HNAYVOBHSA-N 2 2 379.460 3.547 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000756654893 1023756356 /nfs/dbraw/zinc/75/63/56/1023756356.db2.gz MORQABKWOLJDRZ-MIVHDCIWSA-N 2 2 396.531 3.986 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000756654893 1023756361 /nfs/dbraw/zinc/75/63/61/1023756361.db2.gz MORQABKWOLJDRZ-MIVHDCIWSA-N 2 2 396.531 3.986 20 10 GHCDLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044954 1028063371 /nfs/dbraw/zinc/06/33/71/1028063371.db2.gz GTGDWFCNCOSUMP-UTKZUKDTSA-N 2 2 382.552 3.883 20 10 GHCDLP Oc1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cccc1C(F)(F)F ZINC001233418359 1039280344 /nfs/dbraw/zinc/28/03/44/1039280344.db2.gz DAELLXXBNCTJKW-HDICACEKSA-N 2 2 376.422 3.975 20 10 GHCDLP Oc1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cccc1C(F)(F)F ZINC001233418359 1039280355 /nfs/dbraw/zinc/28/03/55/1039280355.db2.gz DAELLXXBNCTJKW-HDICACEKSA-N 2 2 376.422 3.975 20 10 GHCDLP Oc1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cccc1C(F)(F)F ZINC001233418359 1039280365 /nfs/dbraw/zinc/28/03/65/1039280365.db2.gz DAELLXXBNCTJKW-HDICACEKSA-N 2 2 376.422 3.975 20 10 GHCDLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC001235020156 1040510440 /nfs/dbraw/zinc/51/04/40/1040510440.db2.gz QCLLYMLSAZRQSM-UHFFFAOYSA-N 2 2 386.923 4.000 20 10 GHCDLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC001235020156 1040510454 /nfs/dbraw/zinc/51/04/54/1040510454.db2.gz QCLLYMLSAZRQSM-UHFFFAOYSA-N 2 2 386.923 4.000 20 10 GHCDLP COc1cc(Cl)cc(C[N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)c1O ZINC001236369218 1041685137 /nfs/dbraw/zinc/68/51/37/1041685137.db2.gz GDOKUCRSXUNEQJ-UHFFFAOYSA-N 2 2 378.875 3.948 20 10 GHCDLP COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)c1O ZINC001236369218 1041685139 /nfs/dbraw/zinc/68/51/39/1041685139.db2.gz GDOKUCRSXUNEQJ-UHFFFAOYSA-N 2 2 378.875 3.948 20 10 GHCDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237683490 1042323732 /nfs/dbraw/zinc/32/37/32/1042323732.db2.gz BDXFMHOORPBPMA-OAHLLOKOSA-N 2 2 377.282 3.820 20 10 GHCDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237683490 1042323740 /nfs/dbraw/zinc/32/37/40/1042323740.db2.gz BDXFMHOORPBPMA-OAHLLOKOSA-N 2 2 377.282 3.820 20 10 GHCDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001258903552 1044858711 /nfs/dbraw/zinc/85/87/11/1044858711.db2.gz UABAIZCCGQPISG-NLSFWIRASA-N 3 2 385.552 3.939 20 10 GHCDLP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000436021064 851105410 /nfs/dbraw/zinc/10/54/10/851105410.db2.gz HFMQBGGFOZWKAV-UHFFFAOYSA-N 2 2 391.519 3.508 20 10 GHCDLP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000436021064 851105413 /nfs/dbraw/zinc/10/54/13/851105413.db2.gz HFMQBGGFOZWKAV-UHFFFAOYSA-N 2 2 391.519 3.508 20 10 GHCDLP CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000155156177 881367126 /nfs/dbraw/zinc/36/71/26/881367126.db2.gz VYJNHPQFXZWZHX-FQEVSTJZSA-N 2 2 397.563 3.705 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)CCc3ccsc3)CC2)cc1 ZINC000765601136 860295478 /nfs/dbraw/zinc/29/54/78/860295478.db2.gz IXLGZFOAVNQATG-LJQANCHMSA-N 2 2 387.593 3.880 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3occc3Br)cc2F)CC1 ZINC000735321324 864723585 /nfs/dbraw/zinc/72/35/85/864723585.db2.gz NWTSOULMQBSKQT-UHFFFAOYSA-N 2 2 396.304 3.613 20 10 GHCDLP CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775731096 873271019 /nfs/dbraw/zinc/27/10/19/873271019.db2.gz HWWPCYGWYOBXDT-QHCPKHFHSA-N 2 2 395.547 3.565 20 10 GHCDLP CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775731096 873271030 /nfs/dbraw/zinc/27/10/30/873271030.db2.gz HWWPCYGWYOBXDT-QHCPKHFHSA-N 2 2 395.547 3.565 20 10 GHCDLP CCc1cc(OC)ccc1C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001199038473 874769787 /nfs/dbraw/zinc/76/97/87/874769787.db2.gz QUJBAJKACSAJPY-UHFFFAOYSA-N 2 2 397.563 3.568 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](c3cccnc3)C3CCC3)CC2)cc1 ZINC000795782528 912817154 /nfs/dbraw/zinc/81/71/54/912817154.db2.gz RFUODHDETCRORM-DEOSSOPVSA-N 2 2 394.563 3.733 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000824903389 899870245 /nfs/dbraw/zinc/87/02/45/899870245.db2.gz FWUXHUJTFOYPBJ-UHFFFAOYSA-N 2 2 381.520 3.722 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)cc2F)CC1 ZINC001117789811 934024797 /nfs/dbraw/zinc/02/47/97/934024797.db2.gz ODNLXCSQLQLKRE-KRWDZBQOSA-N 2 2 393.428 3.772 20 10 GHCDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c2ccccc21 ZINC001204238368 1032683135 /nfs/dbraw/zinc/68/31/35/1032683135.db2.gz PTNWMSHWQZWVSA-SFTDATJTSA-N 2 2 386.543 3.865 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3ccc(C)cc3O)CC2)cc1 ZINC000834886117 1021616909 /nfs/dbraw/zinc/61/69/09/1021616909.db2.gz ICIXFEJCWLWTDG-QGZVFWFLSA-N 2 2 381.520 3.974 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000756417211 1023637995 /nfs/dbraw/zinc/63/79/95/1023637995.db2.gz LFBUMWJQWHQAJB-KRWDZBQOSA-N 2 2 382.504 3.802 20 10 GHCDLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C1 ZINC001138222017 1024398258 /nfs/dbraw/zinc/39/82/58/1024398258.db2.gz BBTKYLLLQKNCAE-OAQYLSRUSA-N 2 2 399.579 3.526 20 10 GHCDLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C1 ZINC001138222017 1024398283 /nfs/dbraw/zinc/39/82/83/1024398283.db2.gz BBTKYLLLQKNCAE-OAQYLSRUSA-N 2 2 399.579 3.526 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[N@H+](Cc4ccccc4)C(C)(C)C3)cc2)CC1 ZINC001203491404 1027379469 /nfs/dbraw/zinc/37/94/69/1027379469.db2.gz KEIWAGGVBXZYSD-HSZRJFAPSA-N 3 2 392.591 3.581 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[N@@H+](Cc4ccccc4)C(C)(C)C3)cc2)CC1 ZINC001203491404 1027379481 /nfs/dbraw/zinc/37/94/81/1027379481.db2.gz KEIWAGGVBXZYSD-HSZRJFAPSA-N 3 2 392.591 3.581 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccccc2OCc2ccccn2)cc1 ZINC000841042485 1028063097 /nfs/dbraw/zinc/06/30/97/1028063097.db2.gz KKQWQZHKHHOHFB-QFIPXVFZSA-N 2 2 376.504 3.516 20 10 GHCDLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000841045689 1028066474 /nfs/dbraw/zinc/06/64/74/1028066474.db2.gz OGLXRQCVNSWQNU-DNVCBOLYSA-N 2 2 388.943 3.721 20 10 GHCDLP Oc1ccc(F)c(F)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001233333275 1039131269 /nfs/dbraw/zinc/13/12/69/1039131269.db2.gz QDJYDYVCYDGBAQ-UHFFFAOYSA-N 2 2 394.487 3.599 20 10 GHCDLP Oc1ccc(F)c(F)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001233333275 1039131285 /nfs/dbraw/zinc/13/12/85/1039131285.db2.gz QDJYDYVCYDGBAQ-UHFFFAOYSA-N 2 2 394.487 3.599 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c(O)c1 ZINC001235117224 1040607589 /nfs/dbraw/zinc/60/75/89/1040607589.db2.gz KWONYIMMXQFGFX-HSZRJFAPSA-N 2 2 389.584 3.753 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c(O)c1 ZINC001235117224 1040607598 /nfs/dbraw/zinc/60/75/98/1040607598.db2.gz KWONYIMMXQFGFX-HSZRJFAPSA-N 2 2 389.584 3.753 20 10 GHCDLP CC(C)(C)c1cc(O)c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1Cl ZINC001235231296 1040711783 /nfs/dbraw/zinc/71/17/83/1040711783.db2.gz FABQPTYOYCBEBL-SJCJKPOMSA-N 2 2 376.850 3.927 20 10 GHCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236299151 1041665086 /nfs/dbraw/zinc/66/50/86/1041665086.db2.gz DGKHAGAPGPWSCG-UHFFFAOYSA-N 2 2 378.472 3.561 20 10 GHCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236299151 1041665105 /nfs/dbraw/zinc/66/51/05/1041665105.db2.gz DGKHAGAPGPWSCG-UHFFFAOYSA-N 2 2 378.472 3.561 20 10 GHCDLP COc1cc(O)c(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc1Br ZINC001236654364 1041805175 /nfs/dbraw/zinc/80/51/75/1041805175.db2.gz PIZQSRFAQMTUSA-OAHLLOKOSA-N 2 2 383.330 3.660 20 10 GHCDLP COc1cc(O)c(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc1Br ZINC001236654364 1041805177 /nfs/dbraw/zinc/80/51/77/1041805177.db2.gz PIZQSRFAQMTUSA-OAHLLOKOSA-N 2 2 383.330 3.660 20 10 GHCDLP C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236913936 1041954953 /nfs/dbraw/zinc/95/49/53/1041954953.db2.gz IVVRPEFQWAOVFN-UHFFFAOYSA-N 2 2 396.922 3.994 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236913936 1041954956 /nfs/dbraw/zinc/95/49/56/1041954956.db2.gz IVVRPEFQWAOVFN-UHFFFAOYSA-N 2 2 396.922 3.994 20 10 GHCDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237077044 1042024429 /nfs/dbraw/zinc/02/44/29/1042024429.db2.gz CEHOIXWWRRMMLX-YWZLYKJASA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237077044 1042024434 /nfs/dbraw/zinc/02/44/34/1042024434.db2.gz CEHOIXWWRRMMLX-YWZLYKJASA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237077044 1042024440 /nfs/dbraw/zinc/02/44/40/1042024440.db2.gz CEHOIXWWRRMMLX-YWZLYKJASA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237077044 1042024445 /nfs/dbraw/zinc/02/44/45/1042024445.db2.gz CEHOIXWWRRMMLX-YWZLYKJASA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237079386 1042025070 /nfs/dbraw/zinc/02/50/70/1042025070.db2.gz CEHOIXWWRRMMLX-QRWLVFNGSA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237079386 1042025077 /nfs/dbraw/zinc/02/50/77/1042025077.db2.gz CEHOIXWWRRMMLX-QRWLVFNGSA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237079386 1042025085 /nfs/dbraw/zinc/02/50/85/1042025085.db2.gz CEHOIXWWRRMMLX-QRWLVFNGSA-N 2 2 399.362 3.879 20 10 GHCDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237079386 1042025088 /nfs/dbraw/zinc/02/50/88/1042025088.db2.gz CEHOIXWWRRMMLX-QRWLVFNGSA-N 2 2 399.362 3.879 20 10 GHCDLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001308824528 1050108575 /nfs/dbraw/zinc/10/85/75/1050108575.db2.gz GVHNJNPZKOWGMB-DYESRHJHSA-N 2 2 392.902 3.811 20 10 GHCDLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001308824528 1050108576 /nfs/dbraw/zinc/10/85/76/1050108576.db2.gz GVHNJNPZKOWGMB-DYESRHJHSA-N 2 2 392.902 3.811 20 10 GHCDLP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](c2ccccc2)O1 ZINC001319701368 1055408213 /nfs/dbraw/zinc/40/82/13/1055408213.db2.gz VGLYUBSLBZFELA-MBSDFSHPSA-N 2 2 383.511 3.540 20 10 GHCDLP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](c2ccccc2)O1 ZINC001319701368 1055408220 /nfs/dbraw/zinc/40/82/20/1055408220.db2.gz VGLYUBSLBZFELA-MBSDFSHPSA-N 2 2 383.511 3.540 20 10 GHCDLP COc1ccc(O)c([C@@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000185508929 840230969 /nfs/dbraw/zinc/23/09/69/840230969.db2.gz BNXHDFMTMMLVRU-ZWKOTPCHSA-N 2 2 384.520 3.951 20 10 GHCDLP CC(C)(C)[NH+]1CCC(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000765996343 860476037 /nfs/dbraw/zinc/47/60/37/860476037.db2.gz ZBYIQUPXHYLRGK-IBGZPJMESA-N 2 2 379.976 3.863 20 10 GHCDLP CC(C)(C)[NH+]1CCC(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000765996343 860476040 /nfs/dbraw/zinc/47/60/40/860476040.db2.gz ZBYIQUPXHYLRGK-IBGZPJMESA-N 2 2 379.976 3.863 20 10 GHCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)cn1 ZINC000181012310 883116573 /nfs/dbraw/zinc/11/65/73/883116573.db2.gz LGFXVDWLPFNNLJ-GFCCVEGCSA-N 2 2 387.281 3.895 20 10 GHCDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1O ZINC000817943550 895972156 /nfs/dbraw/zinc/97/21/56/895972156.db2.gz VHAVFKQONHJHJB-UGSOOPFHSA-N 2 2 392.341 3.880 20 10 GHCDLP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000824903744 899868535 /nfs/dbraw/zinc/86/85/35/899868535.db2.gz LZWWBQCTKWWCJE-INIZCTEOSA-N 2 2 397.519 3.674 20 10 GHCDLP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC1 ZINC001172799045 905872118 /nfs/dbraw/zinc/87/21/18/905872118.db2.gz OGPZMHXWVQNYSE-LGFFLQIISA-N 2 2 398.503 3.550 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000782518109 931251746 /nfs/dbraw/zinc/25/17/46/931251746.db2.gz DEPRRUKESWIMBM-QZTJIDSGSA-N 2 2 399.501 3.918 20 10 GHCDLP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779225377 1020538140 /nfs/dbraw/zinc/53/81/40/1020538140.db2.gz RIWUCBDXFLNASL-VWLOTQADSA-N 2 2 393.575 3.746 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779225377 1020538155 /nfs/dbraw/zinc/53/81/55/1020538155.db2.gz RIWUCBDXFLNASL-VWLOTQADSA-N 2 2 393.575 3.746 20 10 GHCDLP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779225377 1020538164 /nfs/dbraw/zinc/53/81/64/1020538164.db2.gz RIWUCBDXFLNASL-VWLOTQADSA-N 2 2 393.575 3.746 20 10 GHCDLP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779225377 1020538168 /nfs/dbraw/zinc/53/81/68/1020538168.db2.gz RIWUCBDXFLNASL-VWLOTQADSA-N 2 2 393.575 3.746 20 10 GHCDLP Oc1cc(Cl)ccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001140467847 1021763900 /nfs/dbraw/zinc/76/39/00/1021763900.db2.gz XBNCZMCBEQXCHN-UHFFFAOYSA-N 2 2 392.952 3.974 20 10 GHCDLP Oc1cc(Cl)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001140467847 1021763918 /nfs/dbraw/zinc/76/39/18/1021763918.db2.gz XBNCZMCBEQXCHN-UHFFFAOYSA-N 2 2 392.952 3.974 20 10 GHCDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756433917 1023646961 /nfs/dbraw/zinc/64/69/61/1023646961.db2.gz QKSJKVGUFLHJAO-MRXNPFEDSA-N 2 2 389.490 3.659 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000756642615 1023751194 /nfs/dbraw/zinc/75/11/94/1023751194.db2.gz OOVQZXBBCZWYAT-ZWOKBUDYSA-N 2 2 382.504 3.883 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000756642615 1023751200 /nfs/dbraw/zinc/75/12/00/1023751200.db2.gz OOVQZXBBCZWYAT-ZWOKBUDYSA-N 2 2 382.504 3.883 20 10 GHCDLP COc1ccc(N2CC[NH+](Cc3ccccc3-n3cc[nH+]c3C)CC2)c(C)c1 ZINC001140027679 1026817043 /nfs/dbraw/zinc/81/70/43/1026817043.db2.gz VFSIMMFDKZTNEX-UHFFFAOYSA-N 2 2 376.504 3.820 20 10 GHCDLP Oc1cccc(Br)c1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140100483 1026878823 /nfs/dbraw/zinc/87/88/23/1026878823.db2.gz QSNCSIPJKNZFIQ-ZIAGYGMSSA-N 2 2 393.350 3.780 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(O)cc(C)cc3Cl)cc2F)CC1 ZINC001461167790 1069422942 /nfs/dbraw/zinc/42/29/42/1069422942.db2.gz LHIROANYPUXRDM-UHFFFAOYSA-N 2 2 391.918 3.925 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3coc(-c4ccccc4)n3)cc2F)CC1 ZINC001461214934 1069445994 /nfs/dbraw/zinc/44/59/94/1069445994.db2.gz MOZBPMDOIYTFLF-UHFFFAOYSA-N 2 2 380.467 3.522 20 10 GHCDLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000841044979 1028062736 /nfs/dbraw/zinc/06/27/36/1028062736.db2.gz HEGUHRYACIDFPB-YWZLYKJASA-N 2 2 388.943 3.721 20 10 GHCDLP C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@H]1C[NH3+] ZINC001205655371 1033513224 /nfs/dbraw/zinc/51/32/24/1033513224.db2.gz ZRHGTJPGTLIXRL-MNOVXSKESA-N 2 2 395.263 3.980 20 10 GHCDLP C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@H]1C[NH3+] ZINC001205655371 1033513232 /nfs/dbraw/zinc/51/32/32/1033513232.db2.gz ZRHGTJPGTLIXRL-MNOVXSKESA-N 2 2 395.263 3.980 20 10 GHCDLP COc1ccc(Br)c(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)c1O ZINC001231555622 1034707173 /nfs/dbraw/zinc/70/71/73/1034707173.db2.gz QOSKWMFYIFCMOV-AWEZNQCLSA-N 2 2 393.281 3.602 20 10 GHCDLP COc1ccc(Br)c(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)c1O ZINC001231555622 1034707186 /nfs/dbraw/zinc/70/71/86/1034707186.db2.gz QOSKWMFYIFCMOV-AWEZNQCLSA-N 2 2 393.281 3.602 20 10 GHCDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233111761 1038903095 /nfs/dbraw/zinc/90/30/95/1038903095.db2.gz WRIDSMDMHKIFIX-MRXNPFEDSA-N 2 2 377.282 3.820 20 10 GHCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195703 1038961682 /nfs/dbraw/zinc/96/16/82/1038961682.db2.gz ONHPKYQGPKSDJU-KBXCAEBGSA-N 2 2 375.310 3.834 20 10 GHCDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195703 1038961684 /nfs/dbraw/zinc/96/16/84/1038961684.db2.gz ONHPKYQGPKSDJU-KBXCAEBGSA-N 2 2 375.310 3.834 20 10 GHCDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233417187 1039274277 /nfs/dbraw/zinc/27/42/77/1039274277.db2.gz LJIABPMCCKPNQD-XLIONFOSSA-N 2 2 398.469 3.591 20 10 GHCDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233417187 1039274283 /nfs/dbraw/zinc/27/42/83/1039274283.db2.gz LJIABPMCCKPNQD-XLIONFOSSA-N 2 2 398.469 3.591 20 10 GHCDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233417187 1039274297 /nfs/dbraw/zinc/27/42/97/1039274297.db2.gz LJIABPMCCKPNQD-XLIONFOSSA-N 2 2 398.469 3.591 20 10 GHCDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233417187 1039274301 /nfs/dbraw/zinc/27/43/01/1039274301.db2.gz LJIABPMCCKPNQD-XLIONFOSSA-N 2 2 398.469 3.591 20 10 GHCDLP COC(=O)c1cccc(C[N@H+](Cc2cccc(Cl)c2O)C2CC[NH2+]CC2)c1 ZINC001236467829 1041729404 /nfs/dbraw/zinc/72/94/04/1041729404.db2.gz XUKKRVZXWSBDCY-UHFFFAOYSA-N 2 2 388.895 3.586 20 10 GHCDLP COC(=O)c1cccc(C[N@@H+](Cc2cccc(Cl)c2O)C2CC[NH2+]CC2)c1 ZINC001236467829 1041729406 /nfs/dbraw/zinc/72/94/06/1041729406.db2.gz XUKKRVZXWSBDCY-UHFFFAOYSA-N 2 2 388.895 3.586 20 10 GHCDLP Cc1cc(F)cc(C[N@H+](Cc2cc(Cl)c(O)cc2O)C2CC[NH2+]CC2)c1 ZINC001236483909 1041735215 /nfs/dbraw/zinc/73/52/15/1041735215.db2.gz RBOFSPHGFQZGJU-UHFFFAOYSA-N 2 2 378.875 3.953 20 10 GHCDLP Cc1cc(F)cc(C[N@@H+](Cc2cc(Cl)c(O)cc2O)C2CC[NH2+]CC2)c1 ZINC001236483909 1041735219 /nfs/dbraw/zinc/73/52/19/1041735219.db2.gz RBOFSPHGFQZGJU-UHFFFAOYSA-N 2 2 378.875 3.953 20 10 GHCDLP COc1cc(O)c(C[N@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)c(OC)c1 ZINC001236507277 1041745754 /nfs/dbraw/zinc/74/57/54/1041745754.db2.gz YZPQEQYRONJMTR-UHFFFAOYSA-N 2 2 388.483 3.611 20 10 GHCDLP COc1cc(O)c(C[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)c(OC)c1 ZINC001236507277 1041745759 /nfs/dbraw/zinc/74/57/59/1041745759.db2.gz YZPQEQYRONJMTR-UHFFFAOYSA-N 2 2 388.483 3.611 20 10 GHCDLP Cc1cccc(O)c1C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001237488768 1042231268 /nfs/dbraw/zinc/23/12/68/1042231268.db2.gz PEAXDAFUJLUJJS-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(O)c1C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001237488768 1042231269 /nfs/dbraw/zinc/23/12/69/1042231269.db2.gz PEAXDAFUJLUJJS-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(O)c1C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001237488768 1042231271 /nfs/dbraw/zinc/23/12/71/1042231271.db2.gz PEAXDAFUJLUJJS-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(O)c1C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001237488768 1042231276 /nfs/dbraw/zinc/23/12/76/1042231276.db2.gz PEAXDAFUJLUJJS-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(O)c1C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001237488076 1042231764 /nfs/dbraw/zinc/23/17/64/1042231764.db2.gz IMZNBPCMGHLDAW-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1cccc(O)c1C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001237488076 1042231767 /nfs/dbraw/zinc/23/17/67/1042231767.db2.gz IMZNBPCMGHLDAW-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1cccc(O)c1C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001237488076 1042231771 /nfs/dbraw/zinc/23/17/71/1042231771.db2.gz IMZNBPCMGHLDAW-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP Cc1cccc(O)c1C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001237488076 1042231773 /nfs/dbraw/zinc/23/17/73/1042231773.db2.gz IMZNBPCMGHLDAW-UHFFFAOYSA-N 2 2 377.488 3.879 20 10 GHCDLP COC(=O)CC1CCC([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC1 ZINC001256977308 1043780464 /nfs/dbraw/zinc/78/04/64/1043780464.db2.gz RXGZZXHLFVOKOW-NFWVCLONSA-N 2 2 398.503 3.550 20 10 GHCDLP C[C@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC001308301998 1049943406 /nfs/dbraw/zinc/94/34/06/1049943406.db2.gz OWYHHLINSVIEIE-HXUWFJFHSA-N 3 2 398.570 3.578 20 10 GHCDLP C[C@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC001308301998 1049943411 /nfs/dbraw/zinc/94/34/11/1049943411.db2.gz OWYHHLINSVIEIE-HXUWFJFHSA-N 3 2 398.570 3.578 20 10 GHCDLP CC(C)c1[nH+]c(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2ccccn21 ZINC001308544946 1050004568 /nfs/dbraw/zinc/00/45/68/1050004568.db2.gz WWYUKYCXNMMHNC-JOCHJYFZSA-N 2 2 379.552 3.916 20 10 GHCDLP CN(C)c1cc(F)c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1F ZINC001474023097 1074239462 /nfs/dbraw/zinc/23/94/62/1074239462.db2.gz PUFBGKQTVJTUMP-UHFFFAOYSA-N 2 2 388.506 3.855 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](CC(C)C)c3ccccn3)CC2)cc1 ZINC000764675675 859564640 /nfs/dbraw/zinc/56/46/40/859564640.db2.gz GBWGNEOBILWZGP-XMMPIXPASA-N 2 2 396.579 3.979 20 10 GHCDLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000155169387 881589345 /nfs/dbraw/zinc/58/93/45/881589345.db2.gz XUXXTAYAOMISMB-DEOSSOPVSA-N 2 2 397.563 3.705 20 10 GHCDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766011604 861013416 /nfs/dbraw/zinc/01/34/16/861013416.db2.gz NPWIAFNWQRLKLJ-SIKLNZKXSA-N 2 2 397.538 3.978 20 10 GHCDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766011604 861013431 /nfs/dbraw/zinc/01/34/31/861013431.db2.gz NPWIAFNWQRLKLJ-SIKLNZKXSA-N 2 2 397.538 3.978 20 10 GHCDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc2c(cc1O)CCCC2 ZINC000185063371 865143221 /nfs/dbraw/zinc/14/32/21/865143221.db2.gz GUQGVOKLNNNWBJ-GOSISDBHSA-N 2 2 380.532 3.954 20 10 GHCDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517138 874123710 /nfs/dbraw/zinc/12/37/10/874123710.db2.gz ZGOHQAKRIVZIFL-FQEVSTJZSA-N 2 2 386.540 3.749 20 10 GHCDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517138 874123712 /nfs/dbraw/zinc/12/37/12/874123712.db2.gz ZGOHQAKRIVZIFL-FQEVSTJZSA-N 2 2 386.540 3.749 20 10 GHCDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517138 874123715 /nfs/dbraw/zinc/12/37/15/874123715.db2.gz ZGOHQAKRIVZIFL-FQEVSTJZSA-N 2 2 386.540 3.749 20 10 GHCDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517138 874123719 /nfs/dbraw/zinc/12/37/19/874123719.db2.gz ZGOHQAKRIVZIFL-FQEVSTJZSA-N 2 2 386.540 3.749 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000788504118 878110198 /nfs/dbraw/zinc/11/01/98/878110198.db2.gz FZBMHHQKSDPJEH-HSZRJFAPSA-N 2 2 395.547 3.580 20 10 GHCDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000792277032 881029093 /nfs/dbraw/zinc/02/90/93/881029093.db2.gz OMOFDVFEKZAVPZ-IBGZPJMESA-N 2 2 376.504 3.868 20 10 GHCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)cn1 ZINC000185084508 883417756 /nfs/dbraw/zinc/41/77/56/883417756.db2.gz LPGMVCHGQNJFCB-LBPRGKRZSA-N 2 2 387.281 3.895 20 10 GHCDLP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1O ZINC000287878202 913574345 /nfs/dbraw/zinc/57/43/45/913574345.db2.gz YFTFRMIKYCXBRD-LJQANCHMSA-N 2 2 389.927 3.578 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000817941764 895970536 /nfs/dbraw/zinc/97/05/36/895970536.db2.gz KTPOFCXWNQFKEN-HQNXYIODSA-N 3 2 380.580 3.785 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000817941764 895970546 /nfs/dbraw/zinc/97/05/46/895970546.db2.gz KTPOFCXWNQFKEN-HQNXYIODSA-N 3 2 380.580 3.785 20 10 GHCDLP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000817983981 895994052 /nfs/dbraw/zinc/99/40/52/895994052.db2.gz SYQSBIRRIWDZNT-LEOMRAHMSA-N 2 2 385.474 3.668 20 10 GHCDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(OC(F)(F)F)cc3)CC1)C2 ZINC001172129471 905384553 /nfs/dbraw/zinc/38/45/53/905384553.db2.gz ARDRUUBDCQJPPP-PIIMJCKOSA-N 2 2 383.458 3.723 20 10 GHCDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(OC(F)(F)F)cc3)CC1)C2 ZINC001172129471 905384573 /nfs/dbraw/zinc/38/45/73/905384573.db2.gz ARDRUUBDCQJPPP-PIIMJCKOSA-N 2 2 383.458 3.723 20 10 GHCDLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1O ZINC000800528661 920245409 /nfs/dbraw/zinc/24/54/09/920245409.db2.gz SYPBVNCDUURDGW-CQSZACIVSA-N 2 2 375.900 3.967 20 10 GHCDLP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1O ZINC000800528661 920245418 /nfs/dbraw/zinc/24/54/18/920245418.db2.gz SYPBVNCDUURDGW-CQSZACIVSA-N 2 2 375.900 3.967 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C/C(C)=C\c3ccccc3)CC2)cc1 ZINC000726606832 926761380 /nfs/dbraw/zinc/76/13/80/926761380.db2.gz BUHIBNRBXZHWGI-VZCXRCSSSA-N 2 2 379.548 3.900 20 10 GHCDLP CC[C@@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1ccc(F)cc1O ZINC000796698222 932033891 /nfs/dbraw/zinc/03/38/91/932033891.db2.gz XNYBBCIQZCLANQ-JOCHJYFZSA-N 2 2 385.527 3.910 20 10 GHCDLP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccc(F)cc1O ZINC000796698222 932033903 /nfs/dbraw/zinc/03/39/03/932033903.db2.gz XNYBBCIQZCLANQ-JOCHJYFZSA-N 2 2 385.527 3.910 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000798935638 932823122 /nfs/dbraw/zinc/82/31/22/932823122.db2.gz QEKFIEIOAJCEGH-UZUQRXQVSA-N 2 2 382.504 3.742 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798935638 932823125 /nfs/dbraw/zinc/82/31/25/932823125.db2.gz QEKFIEIOAJCEGH-UZUQRXQVSA-N 2 2 382.504 3.742 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c2ccccc21 ZINC001204238365 1032682929 /nfs/dbraw/zinc/68/29/29/1032682929.db2.gz PTNWMSHWQZWVSA-OYRHEFFESA-N 2 2 386.543 3.865 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c2ccccc21 ZINC001204238365 1032682935 /nfs/dbraw/zinc/68/29/35/1032682935.db2.gz PTNWMSHWQZWVSA-OYRHEFFESA-N 2 2 386.543 3.865 20 10 GHCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c2ccccc21 ZINC001204238365 1032682942 /nfs/dbraw/zinc/68/29/42/1032682942.db2.gz PTNWMSHWQZWVSA-OYRHEFFESA-N 2 2 386.543 3.865 20 10 GHCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c2ccccc21 ZINC001204238365 1032682948 /nfs/dbraw/zinc/68/29/48/1032682948.db2.gz PTNWMSHWQZWVSA-OYRHEFFESA-N 2 2 386.543 3.865 20 10 GHCDLP C[NH+]1CCC([N@H+](Cc2ccc(N3CCOCC3)cc2F)C2CCCC2)CC1 ZINC001140667236 1022218462 /nfs/dbraw/zinc/21/84/62/1022218462.db2.gz MBFHLLLHPSJGMY-UHFFFAOYSA-N 2 2 375.532 3.501 20 10 GHCDLP C[NH+]1CCC([N@@H+](Cc2ccc(N3CCOCC3)cc2F)C2CCCC2)CC1 ZINC001140667236 1022218481 /nfs/dbraw/zinc/21/84/81/1022218481.db2.gz MBFHLLLHPSJGMY-UHFFFAOYSA-N 2 2 375.532 3.501 20 10 GHCDLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1Cn1cccn1 ZINC001461224718 1069451001 /nfs/dbraw/zinc/45/10/01/1069451001.db2.gz URNMVHFYGSCUHB-QHCPKHFHSA-N 2 2 390.531 3.694 20 10 GHCDLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1Cn1cccn1 ZINC001461224718 1069451002 /nfs/dbraw/zinc/45/10/02/1069451002.db2.gz URNMVHFYGSCUHB-QHCPKHFHSA-N 2 2 390.531 3.694 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)cc1 ZINC000841043369 1028062400 /nfs/dbraw/zinc/06/24/00/1028062400.db2.gz RMWWFMJHHCNSOS-QFIPXVFZSA-N 2 2 375.520 3.705 20 10 GHCDLP CCOc1c(Cl)cc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000841042832 1028062671 /nfs/dbraw/zinc/06/26/71/1028062671.db2.gz LLMKRHZCIUDABQ-GOSISDBHSA-N 2 2 377.916 3.603 20 10 GHCDLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045737 1028067600 /nfs/dbraw/zinc/06/76/00/1028067600.db2.gz PCDGFMHHBRKWII-BEFAXECRSA-N 2 2 388.943 3.721 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246520856 1037455075 /nfs/dbraw/zinc/45/50/75/1037455075.db2.gz KXOGRRHZHZQMLB-NZQKXSOJSA-N 2 2 383.511 3.758 20 10 GHCDLP Oc1c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cccc1OC(F)(F)F ZINC001233736575 1039578962 /nfs/dbraw/zinc/57/89/62/1039578962.db2.gz NGQVZWYGCYICEX-HUUCEWRRSA-N 2 2 398.450 3.916 20 10 GHCDLP COCCC[N@H+](Cc1cc(OCc2ccccc2)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC001235811143 1041323363 /nfs/dbraw/zinc/32/33/63/1041323363.db2.gz SNIHCHHEGNEVLJ-OAQYLSRUSA-N 2 2 384.520 3.562 20 10 GHCDLP COCCC[N@@H+](Cc1cc(OCc2ccccc2)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC001235811143 1041323380 /nfs/dbraw/zinc/32/33/80/1041323380.db2.gz SNIHCHHEGNEVLJ-OAQYLSRUSA-N 2 2 384.520 3.562 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)Cc3ccccc3F)CC2)cc1 ZINC001255831961 1041329927 /nfs/dbraw/zinc/32/99/27/1041329927.db2.gz YDPNWYOXMMWDMS-IBGZPJMESA-N 2 2 385.527 3.567 20 10 GHCDLP COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(Br)c1 ZINC001237068086 1042018058 /nfs/dbraw/zinc/01/80/58/1042018058.db2.gz MVNVRZYXJLPLJY-CYBMUJFWSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(Br)c1 ZINC001237068086 1042018062 /nfs/dbraw/zinc/01/80/62/1042018062.db2.gz MVNVRZYXJLPLJY-CYBMUJFWSA-N 2 2 393.281 3.520 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(F)CC3)cc2Br)CC1 ZINC001237091016 1042031376 /nfs/dbraw/zinc/03/13/76/1042031376.db2.gz VRZDJDDGOVPHEY-LJQANCHMSA-N 2 2 398.364 3.915 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(F)CC3)cc2Br)CC1 ZINC001237091016 1042031384 /nfs/dbraw/zinc/03/13/84/1042031384.db2.gz VRZDJDDGOVPHEY-LJQANCHMSA-N 2 2 398.364 3.915 20 10 GHCDLP COc1ccc(N2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC001258140984 1044427319 /nfs/dbraw/zinc/42/73/19/1044427319.db2.gz QJGOYZGNAJERJN-UHFFFAOYSA-N 2 2 379.548 3.524 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C(F)(F)F)c1 ZINC001322401848 1056677670 /nfs/dbraw/zinc/67/76/70/1056677670.db2.gz IBWZQOHXNDNAMX-HNNXBMFYSA-N 2 2 380.458 3.960 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C(F)(F)F)c1 ZINC001322401848 1056677682 /nfs/dbraw/zinc/67/76/82/1056677682.db2.gz IBWZQOHXNDNAMX-HNNXBMFYSA-N 2 2 380.458 3.960 20 10 GHCDLP C[NH+](C)Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)ccc1Cl ZINC001339824460 1059502807 /nfs/dbraw/zinc/50/28/07/1059502807.db2.gz JBSHSBGVRQPXRV-UHFFFAOYSA-N 2 2 390.934 3.905 20 10 GHCDLP COc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)c1O ZINC000359864270 209195506 /nfs/dbraw/zinc/19/55/06/209195506.db2.gz ATSMWZYILKNCQK-SJCJKPOMSA-N 2 2 395.956 3.819 20 10 GHCDLP COc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)c1O ZINC000359864270 209195510 /nfs/dbraw/zinc/19/55/10/209195510.db2.gz ATSMWZYILKNCQK-SJCJKPOMSA-N 2 2 395.956 3.819 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3sc(C)nc3C)CC2)cc1 ZINC000178423108 841851462 /nfs/dbraw/zinc/85/14/62/841851462.db2.gz LRABOHMIQVAWLW-MRXNPFEDSA-N 2 2 388.581 3.631 20 10 GHCDLP Oc1cccc(Cl)c1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000733324852 862866763 /nfs/dbraw/zinc/86/67/63/862866763.db2.gz HAUUWZFPQDJFGB-UHFFFAOYSA-N 2 2 387.955 3.733 20 10 GHCDLP Oc1cccc(Cl)c1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000733324852 862866783 /nfs/dbraw/zinc/86/67/83/862866783.db2.gz HAUUWZFPQDJFGB-UHFFFAOYSA-N 2 2 387.955 3.733 20 10 GHCDLP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000155156059 881365688 /nfs/dbraw/zinc/36/56/88/881365688.db2.gz VYJNHPQFXZWZHX-HXUWFJFHSA-N 2 2 397.563 3.705 20 10 GHCDLP CN(C)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000792918560 881811726 /nfs/dbraw/zinc/81/17/26/881811726.db2.gz WDDVLUGNSPACDR-UHFFFAOYSA-N 2 2 378.442 3.925 20 10 GHCDLP CC(=O)c1cc(F)cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1O ZINC000787305287 877332960 /nfs/dbraw/zinc/33/29/60/877332960.db2.gz ZJVCTGVUNZBXDT-HZPDHXFCSA-N 2 2 384.495 3.980 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccc4cccnc43)CC2)cc1 ZINC000119675673 887411969 /nfs/dbraw/zinc/41/19/69/887411969.db2.gz PEMUOQMEVJMPKI-UHFFFAOYSA-N 2 2 390.531 3.545 20 10 GHCDLP COc1c(O)c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000811519165 889672442 /nfs/dbraw/zinc/67/24/42/889672442.db2.gz WYXQVZUXSAPQMU-GOSISDBHSA-N 2 2 399.491 3.701 20 10 GHCDLP COc1c(O)c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000811519165 889672447 /nfs/dbraw/zinc/67/24/47/889672447.db2.gz WYXQVZUXSAPQMU-GOSISDBHSA-N 2 2 399.491 3.701 20 10 GHCDLP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816535207 894904501 /nfs/dbraw/zinc/90/45/01/894904501.db2.gz JIEQOXQLIVUUDP-UHFFFAOYSA-N 2 2 389.543 3.973 20 10 GHCDLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Br ZINC000817937962 895967151 /nfs/dbraw/zinc/96/71/51/895967151.db2.gz APSCIENUYGTPBS-UGSOOPFHSA-N 2 2 392.341 3.874 20 10 GHCDLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938842 895967335 /nfs/dbraw/zinc/96/73/35/895967335.db2.gz UJMXIXIMSFLUBF-LIRRHRJNSA-N 2 2 381.549 3.930 20 10 GHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Br)cc1O ZINC000817941183 895970926 /nfs/dbraw/zinc/97/09/26/895970926.db2.gz JIPZRUVPMJPTTP-PXAZEXFGSA-N 2 2 378.314 3.571 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153679520 904388001 /nfs/dbraw/zinc/38/80/01/904388001.db2.gz OLUWTTNGIYUFFQ-INIZCTEOSA-N 2 2 398.457 3.838 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172183001 905386126 /nfs/dbraw/zinc/38/61/26/905386126.db2.gz AVUJKZDXHJDRAH-HXUWFJFHSA-N 2 2 397.588 3.514 20 10 GHCDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000775203025 916250484 /nfs/dbraw/zinc/25/04/84/916250484.db2.gz ITSILPUYDIRCCG-UHFFFAOYSA-N 2 2 377.282 3.902 20 10 GHCDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Cl)ccc1O ZINC000775510265 918444515 /nfs/dbraw/zinc/44/45/15/918444515.db2.gz ZDJYNFRZVLBYJP-JRGCBEDISA-N 2 2 388.939 3.969 20 10 GHCDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Cl)ccc1O ZINC000775510265 918444525 /nfs/dbraw/zinc/44/45/25/918444525.db2.gz ZDJYNFRZVLBYJP-JRGCBEDISA-N 2 2 388.939 3.969 20 10 GHCDLP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000757673402 929767128 /nfs/dbraw/zinc/76/71/28/929767128.db2.gz FUXWZGGCJKZCNS-LBPRGKRZSA-N 2 2 393.753 3.817 20 10 GHCDLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)cc(F)c1O ZINC000756546963 1023708756 /nfs/dbraw/zinc/70/87/56/1023708756.db2.gz WVYGWOLKQHRQKD-UONOGXRCSA-N 2 2 393.453 3.973 20 10 GHCDLP c1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(N5CCCCC5)cc4)C[C@H]3C2)c1 ZINC001138216792 1024385593 /nfs/dbraw/zinc/38/55/93/1024385593.db2.gz LDNZJQNHACRAHI-GOTSBHOMSA-N 2 2 376.548 3.636 20 10 GHCDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138342940 1024703589 /nfs/dbraw/zinc/70/35/89/1024703589.db2.gz VSRLSPXMEWNJGF-UHFFFAOYSA-N 2 2 388.515 3.909 20 10 GHCDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138342940 1024703593 /nfs/dbraw/zinc/70/35/93/1024703593.db2.gz VSRLSPXMEWNJGF-UHFFFAOYSA-N 2 2 388.515 3.909 20 10 GHCDLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139409787 1026282395 /nfs/dbraw/zinc/28/23/95/1026282395.db2.gz SIXOSXRYEXDLAP-UHFFFAOYSA-N 3 2 392.591 3.535 20 10 GHCDLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139409787 1026282400 /nfs/dbraw/zinc/28/24/00/1026282400.db2.gz SIXOSXRYEXDLAP-UHFFFAOYSA-N 3 2 392.591 3.535 20 10 GHCDLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cc(Cl)ccc3O)CC[C@@H]21 ZINC001203659051 1027516431 /nfs/dbraw/zinc/51/64/31/1027516431.db2.gz QRUWVUQWSBLXTO-UXPWSPDFSA-N 2 2 388.943 3.616 20 10 GHCDLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cc(Cl)ccc3O)CC[C@@H]21 ZINC001203659051 1027516443 /nfs/dbraw/zinc/51/64/43/1027516443.db2.gz QRUWVUQWSBLXTO-UXPWSPDFSA-N 2 2 388.943 3.616 20 10 GHCDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@@H]21 ZINC001203659051 1027516455 /nfs/dbraw/zinc/51/64/55/1027516455.db2.gz QRUWVUQWSBLXTO-UXPWSPDFSA-N 2 2 388.943 3.616 20 10 GHCDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CC[C@@H]21 ZINC001203659051 1027516468 /nfs/dbraw/zinc/51/64/68/1027516468.db2.gz QRUWVUQWSBLXTO-UXPWSPDFSA-N 2 2 388.943 3.616 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccccc2OCc2cccnc2)cc1 ZINC000841045657 1028067266 /nfs/dbraw/zinc/06/72/66/1028067266.db2.gz NTBHDGCDRMXNAQ-QFIPXVFZSA-N 2 2 376.504 3.516 20 10 GHCDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001461431626 1069547239 /nfs/dbraw/zinc/54/72/39/1069547239.db2.gz MBGOTJOTDPNAFU-JHEAYKPVSA-N 2 2 379.548 3.647 20 10 GHCDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001461431626 1069547242 /nfs/dbraw/zinc/54/72/42/1069547242.db2.gz MBGOTJOTDPNAFU-JHEAYKPVSA-N 2 2 379.548 3.647 20 10 GHCDLP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC001233111768 1038902960 /nfs/dbraw/zinc/90/29/60/1038902960.db2.gz WXJWQEUWZZVIJY-QGZVFWFLSA-N 2 2 377.282 3.902 20 10 GHCDLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(O)cc1Br ZINC001236749390 1041872132 /nfs/dbraw/zinc/87/21/32/1041872132.db2.gz BKYMVCGVHNVQNC-CQSZACIVSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(O)cc1Br ZINC001236749390 1041872138 /nfs/dbraw/zinc/87/21/38/1041872138.db2.gz BKYMVCGVHNVQNC-CQSZACIVSA-N 2 2 393.281 3.520 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C2(CC2)C1 ZINC001237094007 1042032749 /nfs/dbraw/zinc/03/27/49/1042032749.db2.gz RQBMLHBVWATFQL-HNNXBMFYSA-N 2 2 378.358 3.575 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C2(CC2)C1 ZINC001237094007 1042032756 /nfs/dbraw/zinc/03/27/56/1042032756.db2.gz RQBMLHBVWATFQL-HNNXBMFYSA-N 2 2 378.358 3.575 20 10 GHCDLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136278 1042058379 /nfs/dbraw/zinc/05/83/79/1042058379.db2.gz PYCDVRROTPJNBI-LJQANCHMSA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136278 1042058382 /nfs/dbraw/zinc/05/83/82/1042058382.db2.gz PYCDVRROTPJNBI-LJQANCHMSA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136278 1042058387 /nfs/dbraw/zinc/05/83/87/1042058387.db2.gz PYCDVRROTPJNBI-LJQANCHMSA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136278 1042058388 /nfs/dbraw/zinc/05/83/88/1042058388.db2.gz PYCDVRROTPJNBI-LJQANCHMSA-N 2 2 386.458 3.734 20 10 GHCDLP [NH3+][C@H]1CCC12CC[NH+](Cc1cc(Br)cc(C(F)(F)F)c1O)CC2 ZINC001237359448 1042168295 /nfs/dbraw/zinc/16/82/95/1042168295.db2.gz OMUVPYZMALEPJU-ZDUSSCGKSA-N 2 2 393.247 3.877 20 10 GHCDLP CC(C)C[NH+]1CCC([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001258020743 1044347205 /nfs/dbraw/zinc/34/72/05/1044347205.db2.gz YMWPLWAAGIDUKB-UHFFFAOYSA-N 2 2 385.474 3.828 20 10 GHCDLP CC(C)COC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccco1 ZINC001318368571 1054592708 /nfs/dbraw/zinc/59/27/08/1054592708.db2.gz WUYAWBRNXJSATH-FQEVSTJZSA-N 2 2 389.515 3.674 20 10 GHCDLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)c(F)c1O ZINC000276875696 843610502 /nfs/dbraw/zinc/61/05/02/843610502.db2.gz FNCYQDXIJHAQJM-ZDUSSCGKSA-N 2 2 376.451 3.769 20 10 GHCDLP COc1cc(C)cc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1O ZINC000894276242 847836798 /nfs/dbraw/zinc/83/67/98/847836798.db2.gz HVNZAOIHYRJDBY-SFHVURJKSA-N 2 2 384.520 3.699 20 10 GHCDLP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000435819785 850877489 /nfs/dbraw/zinc/87/74/89/850877489.db2.gz SKZSDMUQFLGWDD-UHFFFAOYSA-N 2 2 387.487 3.694 20 10 GHCDLP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000435819785 850877492 /nfs/dbraw/zinc/87/74/92/850877492.db2.gz SKZSDMUQFLGWDD-UHFFFAOYSA-N 2 2 387.487 3.694 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCCO4)CC2)cc1 ZINC000922159280 858155815 /nfs/dbraw/zinc/15/58/15/858155815.db2.gz NDUGQGKOYKXYAH-UHFFFAOYSA-N 2 2 393.531 3.724 20 10 GHCDLP CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000765996344 860476063 /nfs/dbraw/zinc/47/60/63/860476063.db2.gz ZBYIQUPXHYLRGK-LJQANCHMSA-N 2 2 379.976 3.863 20 10 GHCDLP CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000765996344 860476067 /nfs/dbraw/zinc/47/60/67/860476067.db2.gz ZBYIQUPXHYLRGK-LJQANCHMSA-N 2 2 379.976 3.863 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000775676300 872787020 /nfs/dbraw/zinc/78/70/20/872787020.db2.gz PTAAXWMJRVSILU-QFIPXVFZSA-N 2 2 385.939 3.665 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000775676300 872787030 /nfs/dbraw/zinc/78/70/30/872787030.db2.gz PTAAXWMJRVSILU-QFIPXVFZSA-N 2 2 385.939 3.665 20 10 GHCDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c(O)cccc1Cl ZINC000769526177 874132221 /nfs/dbraw/zinc/13/22/21/874132221.db2.gz JVQJLBYOYNMHPT-UHFFFAOYSA-N 3 2 379.976 3.674 20 10 GHCDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c(O)cccc1Cl ZINC000769526177 874132229 /nfs/dbraw/zinc/13/22/29/874132229.db2.gz JVQJLBYOYNMHPT-UHFFFAOYSA-N 3 2 379.976 3.674 20 10 GHCDLP Oc1cccc(Br)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000858095087 882838673 /nfs/dbraw/zinc/83/86/73/882838673.db2.gz XHSYJXOHYDMOGJ-UHFFFAOYSA-N 2 2 389.337 3.951 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](c3cccnc3)C3CCC3)CC2)cc1 ZINC000795782531 912817042 /nfs/dbraw/zinc/81/70/42/912817042.db2.gz RFUODHDETCRORM-XMMPIXPASA-N 2 2 394.563 3.733 20 10 GHCDLP C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000816548444 894916435 /nfs/dbraw/zinc/91/64/35/894916435.db2.gz HWQYIMFCPXVFDV-ZDUSSCGKSA-N 2 2 395.881 3.926 20 10 GHCDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1O ZINC000817943549 895972132 /nfs/dbraw/zinc/97/21/32/895972132.db2.gz VHAVFKQONHJHJB-SCLBCKFNSA-N 2 2 392.341 3.880 20 10 GHCDLP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1O ZINC000846170304 902739842 /nfs/dbraw/zinc/73/98/42/902739842.db2.gz WQFFUAJELIJZQC-MRXNPFEDSA-N 2 2 397.519 3.674 20 10 GHCDLP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001173646823 906633363 /nfs/dbraw/zinc/63/33/63/906633363.db2.gz AKELOLPFXRJIEB-ZBWOKKAISA-N 2 2 398.503 3.550 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc4c(c3)CCCC4)CC2)cc1 ZINC001177136764 908421020 /nfs/dbraw/zinc/42/10/20/908421020.db2.gz WCQKQCAXYNGOKQ-UHFFFAOYSA-N 2 2 393.575 3.876 20 10 GHCDLP Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)c(O)c1 ZINC001140950423 1022973144 /nfs/dbraw/zinc/97/31/44/1022973144.db2.gz SRHWFGSCCYOGTQ-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)c(O)c1 ZINC001140950423 1022973146 /nfs/dbraw/zinc/97/31/46/1022973146.db2.gz SRHWFGSCCYOGTQ-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(C[NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(O)c1 ZINC001140950423 1022973155 /nfs/dbraw/zinc/97/31/55/1022973155.db2.gz SRHWFGSCCYOGTQ-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(C[NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(O)c1 ZINC001140950423 1022973158 /nfs/dbraw/zinc/97/31/58/1022973158.db2.gz SRHWFGSCCYOGTQ-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Oc1cccc(Br)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140101241 1026881398 /nfs/dbraw/zinc/88/13/98/1026881398.db2.gz MZRBVFBCFYLJRR-CALCHBBNSA-N 2 2 387.321 3.719 20 10 GHCDLP Oc1cccc(Br)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140101241 1026881406 /nfs/dbraw/zinc/88/14/06/1026881406.db2.gz MZRBVFBCFYLJRR-CALCHBBNSA-N 2 2 387.321 3.719 20 10 GHCDLP Oc1cccc(Br)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140101241 1026881413 /nfs/dbraw/zinc/88/14/13/1026881413.db2.gz MZRBVFBCFYLJRR-CALCHBBNSA-N 2 2 387.321 3.719 20 10 GHCDLP Oc1cccc(Br)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140101241 1026881418 /nfs/dbraw/zinc/88/14/18/1026881418.db2.gz MZRBVFBCFYLJRR-CALCHBBNSA-N 2 2 387.321 3.719 20 10 GHCDLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c(O)c1 ZINC001203621409 1027484481 /nfs/dbraw/zinc/48/44/81/1027484481.db2.gz DRNJDTBUSAYBTN-UHFFFAOYSA-N 2 2 385.508 3.636 20 10 GHCDLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c(O)c1 ZINC001203621409 1027484492 /nfs/dbraw/zinc/48/44/92/1027484492.db2.gz DRNJDTBUSAYBTN-UHFFFAOYSA-N 2 2 385.508 3.636 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000841042775 1028062926 /nfs/dbraw/zinc/06/29/26/1028062926.db2.gz NYJKTMYFZRBISR-LJQANCHMSA-N 2 2 380.458 3.627 20 10 GHCDLP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046246 1028068779 /nfs/dbraw/zinc/06/87/79/1028068779.db2.gz YJXUOFKWKJCVNU-YWZLYKJASA-N 2 2 377.479 3.965 20 10 GHCDLP [NH3+]CC[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c2ccccc21 ZINC001157739453 1033748256 /nfs/dbraw/zinc/74/82/56/1033748256.db2.gz KHBPCEXPOIMSPJ-LJQANCHMSA-N 2 2 385.515 3.619 20 10 GHCDLP [NH3+]CC[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c2ccccc21 ZINC001157739453 1033748270 /nfs/dbraw/zinc/74/82/70/1033748270.db2.gz KHBPCEXPOIMSPJ-LJQANCHMSA-N 2 2 385.515 3.619 20 10 GHCDLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4ccccc4c3O)CC2)C1 ZINC001231879839 1034963730 /nfs/dbraw/zinc/96/37/30/1034963730.db2.gz RUHPHZNXXNTFCL-FQEVSTJZSA-N 2 2 396.531 3.785 20 10 GHCDLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4ccccc4c3O)CC2)C1 ZINC001231879839 1034963731 /nfs/dbraw/zinc/96/37/31/1034963731.db2.gz RUHPHZNXXNTFCL-FQEVSTJZSA-N 2 2 396.531 3.785 20 10 GHCDLP CN(C)c1ccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c(O)c1 ZINC001232839268 1038591214 /nfs/dbraw/zinc/59/12/14/1038591214.db2.gz NOESYHIHDRKRJU-UHFFFAOYSA-N 2 2 388.471 3.965 20 10 GHCDLP Cc1cccc(N2CCC[N@H+](Cc3cc(Br)cc(C)c3O)CC2)[nH+]1 ZINC001233109585 1038898508 /nfs/dbraw/zinc/89/85/08/1038898508.db2.gz CMXGIVFWPGAEBW-UHFFFAOYSA-N 2 2 390.325 3.879 20 10 GHCDLP Cc1cccc(N2CCC[N@@H+](Cc3cc(Br)cc(C)c3O)CC2)[nH+]1 ZINC001233109585 1038898526 /nfs/dbraw/zinc/89/85/26/1038898526.db2.gz CMXGIVFWPGAEBW-UHFFFAOYSA-N 2 2 390.325 3.879 20 10 GHCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195706 1038961936 /nfs/dbraw/zinc/96/19/36/1038961936.db2.gz ONHPKYQGPKSDJU-RDTXWAMCSA-N 2 2 375.310 3.834 20 10 GHCDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195706 1038961938 /nfs/dbraw/zinc/96/19/38/1038961938.db2.gz ONHPKYQGPKSDJU-RDTXWAMCSA-N 2 2 375.310 3.834 20 10 GHCDLP Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001236789496 1041895495 /nfs/dbraw/zinc/89/54/95/1041895495.db2.gz HMGBWXSYMMXETN-UHFFFAOYSA-N 2 2 395.334 3.550 20 10 GHCDLP Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001236789496 1041895496 /nfs/dbraw/zinc/89/54/96/1041895496.db2.gz HMGBWXSYMMXETN-UHFFFAOYSA-N 2 2 395.334 3.550 20 10 GHCDLP Oc1cccc(OC(F)(F)F)c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001237122690 1042050895 /nfs/dbraw/zinc/05/08/95/1042050895.db2.gz KUKNVBOUEKZKRU-IRXDYDNUSA-N 2 2 392.421 3.855 20 10 GHCDLP Oc1cccc(Br)c1C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237289123 1042126666 /nfs/dbraw/zinc/12/66/66/1042126666.db2.gz MDIYYMGVPNASOI-UHFFFAOYSA-N 2 2 387.321 3.792 20 10 GHCDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001279665728 1047905746 /nfs/dbraw/zinc/90/57/46/1047905746.db2.gz VAIKGYAFAGSUQX-LJQANCHMSA-N 2 2 386.367 3.549 20 10 GHCDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001279665728 1047905753 /nfs/dbraw/zinc/90/57/53/1047905753.db2.gz VAIKGYAFAGSUQX-LJQANCHMSA-N 2 2 386.367 3.549 20 10 GHCDLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(O)ccc(Cl)c1Cl)CC2 ZINC001279677199 1047911493 /nfs/dbraw/zinc/91/14/93/1047911493.db2.gz ZONAJHPJMJQEMR-UHFFFAOYSA-N 2 2 386.367 3.549 20 10 GHCDLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1c(O)ccc(Cl)c1Cl)CC2 ZINC001279677199 1047911498 /nfs/dbraw/zinc/91/14/98/1047911498.db2.gz ZONAJHPJMJQEMR-UHFFFAOYSA-N 2 2 386.367 3.549 20 10 GHCDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c2c1c(F)ccc2O ZINC001320125022 1055664733 /nfs/dbraw/zinc/66/47/33/1055664733.db2.gz PPIYTKDIRQXCMH-JXFKEZNVSA-N 2 2 383.511 3.617 20 10 GHCDLP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000155125548 836438752 /nfs/dbraw/zinc/43/87/52/836438752.db2.gz BUTBBCZDDZUEEV-GOSISDBHSA-N 2 2 398.389 3.613 20 10 GHCDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765430791 859971739 /nfs/dbraw/zinc/97/17/39/859971739.db2.gz ZYMUFGWASKXJSS-MRXNPFEDSA-N 2 2 377.960 3.844 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)CCc3ccsc3)CC2)cc1 ZINC000765601133 860296293 /nfs/dbraw/zinc/29/62/93/860296293.db2.gz IXLGZFOAVNQATG-IBGZPJMESA-N 2 2 387.593 3.880 20 10 GHCDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858463532 883117662 /nfs/dbraw/zinc/11/76/62/883117662.db2.gz RSXSRUBASRJRQJ-YLJYHZDGSA-N 2 2 375.532 3.720 20 10 GHCDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858463532 883117669 /nfs/dbraw/zinc/11/76/69/883117669.db2.gz RSXSRUBASRJRQJ-YLJYHZDGSA-N 2 2 375.532 3.720 20 10 GHCDLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)cc2)CC1 ZINC000790950172 880095417 /nfs/dbraw/zinc/09/54/17/880095417.db2.gz UVCQTIQGPBDGEW-UHFFFAOYSA-N 2 2 391.918 3.612 20 10 GHCDLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(C)cc1O ZINC000794803973 888106253 /nfs/dbraw/zinc/10/62/53/888106253.db2.gz TXZOANCBZLKFNN-QFIPXVFZSA-N 2 2 384.520 3.653 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000122808876 890107362 /nfs/dbraw/zinc/10/73/62/890107362.db2.gz JGJOSNOVWFNZDJ-UHFFFAOYSA-N 2 2 399.501 3.918 20 10 GHCDLP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1-c1ccc(F)cc1 ZINC000817940439 895968361 /nfs/dbraw/zinc/96/83/61/895968361.db2.gz GIFAIYYMHIJJTQ-OYHNWAKOSA-N 2 2 381.499 3.736 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000817941763 895970379 /nfs/dbraw/zinc/97/03/79/895970379.db2.gz KTPOFCXWNQFKEN-FOJYNEPKSA-N 3 2 380.580 3.785 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000817941763 895970387 /nfs/dbraw/zinc/97/03/87/895970387.db2.gz KTPOFCXWNQFKEN-FOJYNEPKSA-N 3 2 380.580 3.785 20 10 GHCDLP CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001173646814 906632953 /nfs/dbraw/zinc/63/29/53/906632953.db2.gz AKELOLPFXRJIEB-JXULPDFHSA-N 2 2 398.503 3.550 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCNc4ccccc43)CC2)cc1 ZINC000774112069 911401322 /nfs/dbraw/zinc/40/13/22/911401322.db2.gz NOKFYBFLOOMLCU-XMMPIXPASA-N 2 2 394.563 3.744 20 10 GHCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)c(Cl)cc1O ZINC000774198963 911480300 /nfs/dbraw/zinc/48/03/00/911480300.db2.gz QPOVGFSARACAJV-XOBRGWDASA-N 2 2 395.330 3.987 20 10 GHCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c(Cl)cc1O ZINC000774198963 911480306 /nfs/dbraw/zinc/48/03/06/911480306.db2.gz QPOVGFSARACAJV-XOBRGWDASA-N 2 2 395.330 3.987 20 10 GHCDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1O ZINC000780331119 1023196854 /nfs/dbraw/zinc/19/68/54/1023196854.db2.gz NAHWCFFHTHQAOK-UHFFFAOYSA-N 2 2 394.943 3.573 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cc(C)ccc3O)CC2)cc1 ZINC000756357639 1023605413 /nfs/dbraw/zinc/60/54/13/1023605413.db2.gz GHUGUGHVHGWAMG-LJQANCHMSA-N 2 2 383.536 3.572 20 10 GHCDLP CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(OC)c1 ZINC001138387675 1024761510 /nfs/dbraw/zinc/76/15/10/1024761510.db2.gz LXRJQBOSCGJPTK-OYRHEFFESA-N 2 2 394.563 3.500 20 10 GHCDLP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(OC)c1 ZINC001138387675 1024761524 /nfs/dbraw/zinc/76/15/24/1024761524.db2.gz LXRJQBOSCGJPTK-OYRHEFFESA-N 2 2 394.563 3.500 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c(OC)c1 ZINC001138387675 1024761535 /nfs/dbraw/zinc/76/15/35/1024761535.db2.gz LXRJQBOSCGJPTK-OYRHEFFESA-N 2 2 394.563 3.500 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c(OC)c1 ZINC001138387675 1024761546 /nfs/dbraw/zinc/76/15/46/1024761546.db2.gz LXRJQBOSCGJPTK-OYRHEFFESA-N 2 2 394.563 3.500 20 10 GHCDLP CCOc1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000841040927 1028062031 /nfs/dbraw/zinc/06/20/31/1028062031.db2.gz WECWWEMSKOSXAM-GOSISDBHSA-N 2 2 377.916 3.603 20 10 GHCDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000841087558 1028110739 /nfs/dbraw/zinc/11/07/39/1028110739.db2.gz RJENIPXGALERGS-INIZCTEOSA-N 2 2 379.298 3.515 20 10 GHCDLP Oc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(O)cc1Br ZINC001222173280 1029989359 /nfs/dbraw/zinc/98/93/59/1029989359.db2.gz SQLHUCSVUDCGMM-SFHVURJKSA-N 2 2 383.330 3.606 20 10 GHCDLP Oc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(O)cc1Br ZINC001222173280 1029989366 /nfs/dbraw/zinc/98/93/66/1029989366.db2.gz SQLHUCSVUDCGMM-SFHVURJKSA-N 2 2 383.330 3.606 20 10 GHCDLP COc1cc(Cl)cc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)c1O ZINC001233288553 1039067875 /nfs/dbraw/zinc/06/78/75/1039067875.db2.gz OMSBMGDOIAGSFH-RTBURBONSA-N 2 2 386.923 3.926 20 10 GHCDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(O)ccc(F)c3F)C[C@H]21 ZINC001233334833 1039134654 /nfs/dbraw/zinc/13/46/54/1039134654.db2.gz VQVSWIGFIGTOTO-WRWLIDTKSA-N 2 2 387.474 3.798 20 10 GHCDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(O)ccc(F)c3F)C[C@H]21 ZINC001233334833 1039134665 /nfs/dbraw/zinc/13/46/65/1039134665.db2.gz VQVSWIGFIGTOTO-WRWLIDTKSA-N 2 2 387.474 3.798 20 10 GHCDLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452728 1039336528 /nfs/dbraw/zinc/33/65/28/1039336528.db2.gz IQHRCEGCIJWPEE-IBGZPJMESA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452728 1039336534 /nfs/dbraw/zinc/33/65/34/1039336534.db2.gz IQHRCEGCIJWPEE-IBGZPJMESA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452728 1039336544 /nfs/dbraw/zinc/33/65/44/1039336544.db2.gz IQHRCEGCIJWPEE-IBGZPJMESA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452728 1039336564 /nfs/dbraw/zinc/33/65/64/1039336564.db2.gz IQHRCEGCIJWPEE-IBGZPJMESA-N 2 2 386.458 3.734 20 10 GHCDLP CC[NH+]1CCN(c2ccc(OC3CCN(c4ccc(C)c[nH+]4)CC3)cc2)CC1 ZINC001234661637 1040196057 /nfs/dbraw/zinc/19/60/57/1040196057.db2.gz WBMSUKWMUPTOPB-UHFFFAOYSA-N 2 2 380.536 3.580 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@H+](C2COC2)C2CC[NH2+]CC2)c(O)c1 ZINC001235929792 1041434530 /nfs/dbraw/zinc/43/45/30/1041434530.db2.gz UEFVNXPOORETJF-UHFFFAOYSA-N 2 2 389.584 3.752 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@@H+](C2COC2)C2CC[NH2+]CC2)c(O)c1 ZINC001235929792 1041434538 /nfs/dbraw/zinc/43/45/38/1041434538.db2.gz UEFVNXPOORETJF-UHFFFAOYSA-N 2 2 389.584 3.752 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+](CC3CC3)C3CC3)cc2Br)CC1 ZINC001237095474 1042033453 /nfs/dbraw/zinc/03/34/53/1042033453.db2.gz ZGZKGJCAJOVANU-UHFFFAOYSA-N 2 2 378.358 3.575 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+](CC3CC3)C3CC3)cc2Br)CC1 ZINC001237095474 1042033459 /nfs/dbraw/zinc/03/34/59/1042033459.db2.gz ZGZKGJCAJOVANU-UHFFFAOYSA-N 2 2 378.358 3.575 20 10 GHCDLP CSc1cccc(F)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001257438060 1043998684 /nfs/dbraw/zinc/99/86/84/1043998684.db2.gz QCRVZTQYAKGGQX-UHFFFAOYSA-N 2 2 377.504 3.728 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3nccs3)c3ccccc3)cc2)CC1 ZINC001308235560 1049921539 /nfs/dbraw/zinc/92/15/39/1049921539.db2.gz CWLZCRBRMXFQHY-NRFANRHFSA-N 2 2 378.545 3.774 20 10 GHCDLP C[N@H+](Cc1ccc(Br)o1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319691320 1055400437 /nfs/dbraw/zinc/40/04/37/1055400437.db2.gz NIMKOODFLSAWLJ-UHFFFAOYSA-N 2 2 396.304 3.565 20 10 GHCDLP C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319691320 1055400446 /nfs/dbraw/zinc/40/04/46/1055400446.db2.gz NIMKOODFLSAWLJ-UHFFFAOYSA-N 2 2 396.304 3.565 20 10 GHCDLP C[NH+]1CCN(c2ccc(CNc3[nH+]c4ccccc4n3C3CC3)cc2F)CC1 ZINC001323927195 1057037761 /nfs/dbraw/zinc/03/77/61/1057037761.db2.gz KZZIUEZIHTWDKZ-UHFFFAOYSA-N 2 2 379.483 3.874 20 10 GHCDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850556391 877023264 /nfs/dbraw/zinc/02/32/64/877023264.db2.gz HCLZAGNEMNAIJG-YLJYHZDGSA-N 2 2 375.532 3.720 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCc4ccc(O)cc43)CC2)cc1 ZINC000788508934 878115069 /nfs/dbraw/zinc/11/50/69/878115069.db2.gz WFDXPSNKXVCJEB-XMMPIXPASA-N 2 2 395.547 3.580 20 10 GHCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1O ZINC000815582758 894022389 /nfs/dbraw/zinc/02/23/89/894022389.db2.gz OUJTXZXQEDGMFH-YWZLYKJASA-N 2 2 394.437 3.699 20 10 GHCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1O ZINC000815582758 894022398 /nfs/dbraw/zinc/02/23/98/894022398.db2.gz OUJTXZXQEDGMFH-YWZLYKJASA-N 2 2 394.437 3.699 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccncc3Cl)cc2F)CC1 ZINC000817578366 895747122 /nfs/dbraw/zinc/74/71/22/895747122.db2.gz UPPQNPDERPZJOE-OAHLLOKOSA-N 2 2 376.907 3.867 20 10 GHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Br)cc1O ZINC000817941186 895970584 /nfs/dbraw/zinc/97/05/84/895970584.db2.gz JIPZRUVPMJPTTP-SJCJKPOMSA-N 2 2 378.314 3.571 20 10 GHCDLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c2ccccc21 ZINC000817943540 895971934 /nfs/dbraw/zinc/97/19/34/895971934.db2.gz VFHFIIMIYWHVBV-FSSWDIPSSA-N 2 2 381.520 3.524 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)c(Cl)cc1O ZINC000192645231 908809096 /nfs/dbraw/zinc/80/90/96/908809096.db2.gz VZBDDXVGGHSAKT-CYBMUJFWSA-N 2 2 395.334 3.697 20 10 GHCDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Cl)ccc1O ZINC000775510264 918444094 /nfs/dbraw/zinc/44/40/94/918444094.db2.gz ZDJYNFRZVLBYJP-DZFGPLHGSA-N 2 2 388.939 3.969 20 10 GHCDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Cl)ccc1O ZINC000775510264 918444103 /nfs/dbraw/zinc/44/41/03/918444103.db2.gz ZDJYNFRZVLBYJP-DZFGPLHGSA-N 2 2 388.939 3.969 20 10 GHCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c2ccccc21 ZINC001204235099 1032681827 /nfs/dbraw/zinc/68/18/27/1032681827.db2.gz GARHKVFDXJUUSY-VXKWHMMOSA-N 2 2 386.543 3.865 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000756510157 1023690334 /nfs/dbraw/zinc/69/03/34/1023690334.db2.gz NZGUICALXSCYSV-JKSUJKDBSA-N 2 2 388.533 3.803 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000756510157 1023690342 /nfs/dbraw/zinc/69/03/42/1023690342.db2.gz NZGUICALXSCYSV-JKSUJKDBSA-N 2 2 388.533 3.803 20 10 GHCDLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(F)cc(F)c3O)CC2)oc1C ZINC000756568443 1023715716 /nfs/dbraw/zinc/71/57/16/1023715716.db2.gz FEKRAROQEUFDLC-CYBMUJFWSA-N 2 2 379.451 3.838 20 10 GHCDLP CN1CCOc2cc(C[NH+]3CCC([N@H+](C)Cc4cccc(F)c4)CC3)ccc21 ZINC001141144801 1023962953 /nfs/dbraw/zinc/96/29/53/1023962953.db2.gz KWGDEVDKNXRBBJ-UHFFFAOYSA-N 2 2 383.511 3.751 20 10 GHCDLP CN1CCOc2cc(C[NH+]3CCC([N@@H+](C)Cc4cccc(F)c4)CC3)ccc21 ZINC001141144801 1023962956 /nfs/dbraw/zinc/96/29/56/1023962956.db2.gz KWGDEVDKNXRBBJ-UHFFFAOYSA-N 2 2 383.511 3.751 20 10 GHCDLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041755 1028061832 /nfs/dbraw/zinc/06/18/32/1028061832.db2.gz BHTDHWGWIBRAAT-JOCHJYFZSA-N 2 2 397.954 3.998 20 10 GHCDLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044955 1028062877 /nfs/dbraw/zinc/06/28/77/1028062877.db2.gz GTGDWFCNCOSUMP-UWJYYQICSA-N 2 2 382.552 3.883 20 10 GHCDLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231910622 1034984630 /nfs/dbraw/zinc/98/46/30/1034984630.db2.gz SMGSOUFKVIFSDK-QGZVFWFLSA-N 2 2 390.911 3.894 20 10 GHCDLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231910622 1034984633 /nfs/dbraw/zinc/98/46/33/1034984633.db2.gz SMGSOUFKVIFSDK-QGZVFWFLSA-N 2 2 390.911 3.894 20 10 GHCDLP Oc1c(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1C(F)(F)F ZINC001235354384 1040833477 /nfs/dbraw/zinc/83/34/77/1040833477.db2.gz FPAUYTGVNKVBJS-UYAOXDASSA-N 2 2 376.422 3.990 20 10 GHCDLP Oc1c(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1C(F)(F)F ZINC001235354384 1040833486 /nfs/dbraw/zinc/83/34/86/1040833486.db2.gz FPAUYTGVNKVBJS-UYAOXDASSA-N 2 2 376.422 3.990 20 10 GHCDLP COc1cc(O)c(C[N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc1Cl ZINC001236369249 1041685227 /nfs/dbraw/zinc/68/52/27/1041685227.db2.gz HPEIYMJFXATJTL-UHFFFAOYSA-N 2 2 378.875 3.948 20 10 GHCDLP COc1cc(O)c(C[N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc1Cl ZINC001236369249 1041685231 /nfs/dbraw/zinc/68/52/31/1041685231.db2.gz HPEIYMJFXATJTL-UHFFFAOYSA-N 2 2 378.875 3.948 20 10 GHCDLP COc1cc(C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)c(O)c(OC)c1 ZINC001237680649 1042322049 /nfs/dbraw/zinc/32/20/49/1042322049.db2.gz LNGDLNPQJXZNLK-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP COc1cc(C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)c(O)c(OC)c1 ZINC001237680649 1042322056 /nfs/dbraw/zinc/32/20/56/1042322056.db2.gz LNGDLNPQJXZNLK-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256532747 1043466584 /nfs/dbraw/zinc/46/65/84/1043466584.db2.gz KCFDPNGCMJTFCP-YKSBVNFPSA-N 3 2 393.575 3.999 20 10 GHCDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256532747 1043466598 /nfs/dbraw/zinc/46/65/98/1043466598.db2.gz KCFDPNGCMJTFCP-YKSBVNFPSA-N 3 2 393.575 3.999 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256532745 1043467512 /nfs/dbraw/zinc/46/75/12/1043467512.db2.gz KCFDPNGCMJTFCP-HYBUGGRVSA-N 3 2 393.575 3.999 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256532745 1043467530 /nfs/dbraw/zinc/46/75/30/1043467530.db2.gz KCFDPNGCMJTFCP-HYBUGGRVSA-N 3 2 393.575 3.999 20 10 GHCDLP CCOc1ccc(N2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC001258148590 1044439461 /nfs/dbraw/zinc/43/94/61/1044439461.db2.gz PBUNKPNZEYSRGO-UHFFFAOYSA-N 2 2 393.575 3.914 20 10 GHCDLP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001320244287 1055720828 /nfs/dbraw/zinc/72/08/28/1055720828.db2.gz CWIXYXCXSYHGOB-RXVVDRJESA-N 2 2 396.531 3.750 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001320307096 1055746869 /nfs/dbraw/zinc/74/68/69/1055746869.db2.gz UJKQNBPLSHGYKV-AWEZNQCLSA-N 2 2 378.314 3.651 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001320307096 1055746881 /nfs/dbraw/zinc/74/68/81/1055746881.db2.gz UJKQNBPLSHGYKV-AWEZNQCLSA-N 2 2 378.314 3.651 20 10 GHCDLP Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848929115 1057430418 /nfs/dbraw/zinc/43/04/18/1057430418.db2.gz ASKHEQBORUWZDU-QFIPXVFZSA-N 2 2 396.531 3.658 20 10 GHCDLP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848929115 1057430423 /nfs/dbraw/zinc/43/04/23/1057430423.db2.gz ASKHEQBORUWZDU-QFIPXVFZSA-N 2 2 396.531 3.658 20 10 GHCDLP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC001337786795 1058263877 /nfs/dbraw/zinc/26/38/77/1058263877.db2.gz YJEWTVSNHFOCSY-UYAOXDASSA-N 2 2 396.531 3.750 20 10 GHCDLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(O)ccc(Cl)c3F)C2)ccn1 ZINC000856550148 881366065 /nfs/dbraw/zinc/36/60/65/881366065.db2.gz ACBJJUZAYDIEMB-INIZCTEOSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(O)ccc(Cl)c3F)C2)ccn1 ZINC000856550148 881366087 /nfs/dbraw/zinc/36/60/87/881366087.db2.gz ACBJJUZAYDIEMB-INIZCTEOSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)ccn1 ZINC000856550148 881366109 /nfs/dbraw/zinc/36/61/09/881366109.db2.gz ACBJJUZAYDIEMB-INIZCTEOSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)ccn1 ZINC000856550148 881366130 /nfs/dbraw/zinc/36/61/30/881366130.db2.gz ACBJJUZAYDIEMB-INIZCTEOSA-N 2 2 393.890 3.685 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C(F)F)cc3)CC2)cc1 ZINC000792893246 881779795 /nfs/dbraw/zinc/77/97/95/881779795.db2.gz OUWIDBKHRIRGCR-UHFFFAOYSA-N 2 2 389.490 3.935 20 10 GHCDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000185221129 865766976 /nfs/dbraw/zinc/76/69/76/865766976.db2.gz FOXWQZCNVBBJGR-XMMPIXPASA-N 2 2 379.548 3.523 20 10 GHCDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000185221129 865766985 /nfs/dbraw/zinc/76/69/85/865766985.db2.gz FOXWQZCNVBBJGR-XMMPIXPASA-N 2 2 379.548 3.523 20 10 GHCDLP Cc1cc(Cl)cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1O ZINC000775727289 873224612 /nfs/dbraw/zinc/22/46/12/873224612.db2.gz PRQYLTDRWOEUFV-UHFFFAOYSA-N 3 2 394.003 3.982 20 10 GHCDLP Cc1cc(Cl)cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1O ZINC000775727289 873224624 /nfs/dbraw/zinc/22/46/24/873224624.db2.gz PRQYLTDRWOEUFV-UHFFFAOYSA-N 3 2 394.003 3.982 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(F)cc3Cl)CC2)cc1 ZINC001199037844 874768686 /nfs/dbraw/zinc/76/86/86/874768686.db2.gz GORVATOQMCSFMJ-UHFFFAOYSA-N 2 2 391.918 3.790 20 10 GHCDLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3c(O)cc(C)cc3Cl)cc2)CC1 ZINC001199329181 874928485 /nfs/dbraw/zinc/92/84/85/874928485.db2.gz OTUIDLCWRYGODD-UHFFFAOYSA-N 2 2 387.955 3.781 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000771841894 875481516 /nfs/dbraw/zinc/48/15/16/875481516.db2.gz GOWQNKKQNGEZAD-KRWDZBQOSA-N 2 2 383.540 3.720 20 10 GHCDLP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729683826 888534344 /nfs/dbraw/zinc/53/43/44/888534344.db2.gz BYDCLTPLBOZXMB-BJKOFHAPSA-N 2 2 379.548 3.666 20 10 GHCDLP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729683826 888534352 /nfs/dbraw/zinc/53/43/52/888534352.db2.gz BYDCLTPLBOZXMB-BJKOFHAPSA-N 2 2 379.548 3.666 20 10 GHCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1O ZINC000815582755 894022679 /nfs/dbraw/zinc/02/26/79/894022679.db2.gz OUJTXZXQEDGMFH-FOIQADDNSA-N 2 2 394.437 3.699 20 10 GHCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1O ZINC000815582755 894022698 /nfs/dbraw/zinc/02/26/98/894022698.db2.gz OUJTXZXQEDGMFH-FOIQADDNSA-N 2 2 394.437 3.699 20 10 GHCDLP [NH3+][C@H](c1ccccc1O)[C@H]([NH2+][C@@H]1Cc2cccc(F)c2C1)c1ccccc1O ZINC001171783321 905046807 /nfs/dbraw/zinc/04/68/07/905046807.db2.gz OIFSKRDQPJJYDK-DURYTUKUSA-N 2 2 378.447 3.735 20 10 GHCDLP C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903017590 922714049 /nfs/dbraw/zinc/71/40/49/922714049.db2.gz WCHVBODPMSUYPS-MRXNPFEDSA-N 2 2 398.457 3.838 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000827662249 925914977 /nfs/dbraw/zinc/91/49/77/925914977.db2.gz PHBLISBPJJVFBK-OFNKIYASSA-N 2 2 393.575 3.648 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000827662249 925914991 /nfs/dbraw/zinc/91/49/91/925914991.db2.gz PHBLISBPJJVFBK-OFNKIYASSA-N 2 2 393.575 3.648 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)c1O ZINC001204340460 1032783973 /nfs/dbraw/zinc/78/39/73/1032783973.db2.gz RXMBXASBOXRLOS-INIZCTEOSA-N 2 2 393.281 3.602 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)c1O ZINC001204340460 1032783987 /nfs/dbraw/zinc/78/39/87/1032783987.db2.gz RXMBXASBOXRLOS-INIZCTEOSA-N 2 2 393.281 3.602 20 10 GHCDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092587971 1021084915 /nfs/dbraw/zinc/08/49/15/1021084915.db2.gz RZDAPEFRXHZPDO-TZIWHRDSSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092587971 1021084923 /nfs/dbraw/zinc/08/49/23/1021084923.db2.gz RZDAPEFRXHZPDO-TZIWHRDSSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092587971 1021084933 /nfs/dbraw/zinc/08/49/33/1021084933.db2.gz RZDAPEFRXHZPDO-TZIWHRDSSA-N 2 2 389.559 3.749 20 10 GHCDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092587971 1021084936 /nfs/dbraw/zinc/08/49/36/1021084936.db2.gz RZDAPEFRXHZPDO-TZIWHRDSSA-N 2 2 389.559 3.749 20 10 GHCDLP COc1ccc(O)c([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000756385613 1023623446 /nfs/dbraw/zinc/62/34/46/1023623446.db2.gz UDCXRZDYNPCTMA-LJQANCHMSA-N 2 2 383.536 3.572 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c2c1c(F)ccc2O ZINC000756605073 1023733412 /nfs/dbraw/zinc/73/34/12/1023733412.db2.gz QGRIOBIGROOESE-LQJIQPLVSA-N 2 2 384.495 3.552 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c2c1c(F)ccc2O ZINC000756605073 1023733417 /nfs/dbraw/zinc/73/34/17/1023733417.db2.gz QGRIOBIGROOESE-LQJIQPLVSA-N 2 2 384.495 3.552 20 10 GHCDLP COc1ccc2[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc(C)c2c1 ZINC001156656042 1033159294 /nfs/dbraw/zinc/15/92/94/1033159294.db2.gz MWMUFWHVQQTCFK-UHFFFAOYSA-N 2 2 376.504 3.916 20 10 GHCDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc2c(cc1O)CCCC2 ZINC000756854669 1023835620 /nfs/dbraw/zinc/83/56/20/1023835620.db2.gz APZPDMDOUFFKCV-OXQOHEQNSA-N 2 2 380.536 3.979 20 10 GHCDLP COc1cccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1O ZINC001203592647 1027457943 /nfs/dbraw/zinc/45/79/43/1027457943.db2.gz UCFUXOYHTDUIIO-UHFFFAOYSA-N 2 2 385.508 3.636 20 10 GHCDLP COc1cccc(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1O ZINC001203592647 1027457955 /nfs/dbraw/zinc/45/79/55/1027457955.db2.gz UCFUXOYHTDUIIO-UHFFFAOYSA-N 2 2 385.508 3.636 20 10 GHCDLP COc1ccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c(O)c1 ZINC001203630894 1027490539 /nfs/dbraw/zinc/49/05/39/1027490539.db2.gz XQGHDNUWBQWDKJ-UHFFFAOYSA-N 2 2 375.428 3.908 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)cc1 ZINC001203939069 1027733002 /nfs/dbraw/zinc/73/30/02/1027733002.db2.gz KALOLIDRUAINNG-UHFFFAOYSA-N 2 2 395.595 3.897 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)cc1 ZINC001203939069 1027733019 /nfs/dbraw/zinc/73/30/19/1027733019.db2.gz KALOLIDRUAINNG-UHFFFAOYSA-N 2 2 395.595 3.897 20 10 GHCDLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC001231555623 1034707898 /nfs/dbraw/zinc/70/78/98/1034707898.db2.gz QOSKWMFYIFCMOV-CQSZACIVSA-N 2 2 393.281 3.602 20 10 GHCDLP COc1ccc(Br)c(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC001231555623 1034707910 /nfs/dbraw/zinc/70/79/10/1034707910.db2.gz QOSKWMFYIFCMOV-CQSZACIVSA-N 2 2 393.281 3.602 20 10 GHCDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232201913 1035159069 /nfs/dbraw/zinc/15/90/69/1035159069.db2.gz PCBCHRQWIJQNKR-SFHVURJKSA-N 2 2 387.911 3.533 20 10 GHCDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232201913 1035159075 /nfs/dbraw/zinc/15/90/75/1035159075.db2.gz PCBCHRQWIJQNKR-SFHVURJKSA-N 2 2 387.911 3.533 20 10 GHCDLP COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1Br ZINC001233143127 1038922283 /nfs/dbraw/zinc/92/22/83/1038922283.db2.gz XOKDJOUEBDGNQC-AWEZNQCLSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1cc(O)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1Br ZINC001233143127 1038922285 /nfs/dbraw/zinc/92/22/85/1038922285.db2.gz XOKDJOUEBDGNQC-AWEZNQCLSA-N 2 2 393.281 3.520 20 10 GHCDLP COc1cc(Cl)cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c1O ZINC001233288552 1039068935 /nfs/dbraw/zinc/06/89/35/1039068935.db2.gz OMSBMGDOIAGSFH-OALUTQOASA-N 2 2 386.923 3.926 20 10 GHCDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(O)ccc(F)c3F)C[C@@H]21 ZINC001233334831 1039134237 /nfs/dbraw/zinc/13/42/37/1039134237.db2.gz VQVSWIGFIGTOTO-OXFYSEKESA-N 2 2 387.474 3.798 20 10 GHCDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(O)ccc(F)c3F)C[C@@H]21 ZINC001233334831 1039134247 /nfs/dbraw/zinc/13/42/47/1039134247.db2.gz VQVSWIGFIGTOTO-OXFYSEKESA-N 2 2 387.474 3.798 20 10 GHCDLP Oc1c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cccc1C(F)(F)F ZINC001233416961 1039275259 /nfs/dbraw/zinc/27/52/59/1039275259.db2.gz DARXQLRATBOZEI-AEFFLSMTSA-N 2 2 391.437 3.760 20 10 GHCDLP Oc1c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cccc1C(F)(F)F ZINC001233416961 1039275268 /nfs/dbraw/zinc/27/52/68/1039275268.db2.gz DARXQLRATBOZEI-AEFFLSMTSA-N 2 2 391.437 3.760 20 10 GHCDLP Oc1c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cccc1C(F)(F)F ZINC001233416961 1039275282 /nfs/dbraw/zinc/27/52/82/1039275282.db2.gz DARXQLRATBOZEI-AEFFLSMTSA-N 2 2 391.437 3.760 20 10 GHCDLP Oc1c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cccc1C(F)(F)F ZINC001233416961 1039275294 /nfs/dbraw/zinc/27/52/94/1039275294.db2.gz DARXQLRATBOZEI-AEFFLSMTSA-N 2 2 391.437 3.760 20 10 GHCDLP Oc1c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cccc1C(F)(F)F ZINC001233418361 1039280494 /nfs/dbraw/zinc/28/04/94/1039280494.db2.gz DAELLXXBNCTJKW-ROUUACIJSA-N 2 2 376.422 3.975 20 10 GHCDLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236928662 1041962081 /nfs/dbraw/zinc/96/20/81/1041962081.db2.gz AONXCJMBDCRPMZ-UHFFFAOYSA-N 2 2 379.976 3.873 20 10 GHCDLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236928662 1041962085 /nfs/dbraw/zinc/96/20/85/1041962085.db2.gz AONXCJMBDCRPMZ-UHFFFAOYSA-N 2 2 379.976 3.873 20 10 GHCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)Cc1ncccc1C(F)(F)F ZINC001236936444 1041964813 /nfs/dbraw/zinc/96/48/13/1041964813.db2.gz QPZAYUDREQJLBT-UHFFFAOYSA-N 2 2 396.432 3.623 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)Cc1ncccc1C(F)(F)F ZINC001236936444 1041964816 /nfs/dbraw/zinc/96/48/16/1041964816.db2.gz QPZAYUDREQJLBT-UHFFFAOYSA-N 2 2 396.432 3.623 20 10 GHCDLP Clc1cc(Cl)c2c(c1)CC[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001237264445 1042113161 /nfs/dbraw/zinc/11/31/61/1042113161.db2.gz HSXRLRMODGLLGK-UHFFFAOYSA-N 2 2 376.331 3.961 20 10 GHCDLP Clc1cc(Cl)c2c(c1)CC[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001237264445 1042113164 /nfs/dbraw/zinc/11/31/64/1042113164.db2.gz HSXRLRMODGLLGK-UHFFFAOYSA-N 2 2 376.331 3.961 20 10 GHCDLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)CC1 ZINC001237680437 1042321932 /nfs/dbraw/zinc/32/19/32/1042321932.db2.gz SBOMFPUTJOULKK-UHFFFAOYSA-N 2 2 394.943 3.594 20 10 GHCDLP CC(C)COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccco1 ZINC001318368573 1054591749 /nfs/dbraw/zinc/59/17/49/1054591749.db2.gz WUYAWBRNXJSATH-HXUWFJFHSA-N 2 2 389.515 3.674 20 10 GHCDLP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000796662749 849353940 /nfs/dbraw/zinc/35/39/40/849353940.db2.gz HNMAJXITHXJTJG-ROUUACIJSA-N 2 2 377.529 3.622 20 10 GHCDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2c1c(F)ccc2O ZINC000760020264 852020600 /nfs/dbraw/zinc/02/06/00/852020600.db2.gz UQRDALOKFFOEIN-YVWKXTFCSA-N 2 2 384.495 3.960 20 10 GHCDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2c1c(F)ccc2O ZINC000760020264 852020608 /nfs/dbraw/zinc/02/06/08/852020608.db2.gz UQRDALOKFFOEIN-YVWKXTFCSA-N 2 2 384.495 3.960 20 10 GHCDLP Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000733164008 862769017 /nfs/dbraw/zinc/76/90/17/862769017.db2.gz JUHGACRNYIPELH-UHFFFAOYSA-N 2 2 396.579 3.501 20 10 GHCDLP Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000733164008 862769023 /nfs/dbraw/zinc/76/90/23/862769023.db2.gz JUHGACRNYIPELH-UHFFFAOYSA-N 2 2 396.579 3.501 20 10 GHCDLP COc1ccc(N2CCC([NH2+][C@@H](Cc3[nH+]ccn3C)c3ccccc3)CC2)cc1 ZINC000766302234 868399604 /nfs/dbraw/zinc/39/96/04/868399604.db2.gz FSXCEAMMGVEABT-QHCPKHFHSA-N 2 2 390.531 3.971 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cc(F)cc(F)c1O ZINC000793565224 882274809 /nfs/dbraw/zinc/27/48/09/882274809.db2.gz GZRPRDUCGLUQDB-AWEZNQCLSA-N 2 2 376.447 3.994 20 10 GHCDLP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1N1CCCCC1 ZINC000789770343 879251050 /nfs/dbraw/zinc/25/10/50/879251050.db2.gz VQRKQRBVBLCYFG-LJQANCHMSA-N 2 2 382.464 3.633 20 10 GHCDLP O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1N1CCCCC1 ZINC000789770343 879251068 /nfs/dbraw/zinc/25/10/68/879251068.db2.gz VQRKQRBVBLCYFG-LJQANCHMSA-N 2 2 382.464 3.633 20 10 GHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1O ZINC000808697664 886717563 /nfs/dbraw/zinc/71/75/63/886717563.db2.gz QPYTZSAUMSYPKF-CDXJDZJCSA-N 2 2 388.939 3.888 20 10 GHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1O ZINC000808697664 886717570 /nfs/dbraw/zinc/71/75/70/886717570.db2.gz QPYTZSAUMSYPKF-CDXJDZJCSA-N 2 2 388.939 3.888 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763339405 888513521 /nfs/dbraw/zinc/51/35/21/888513521.db2.gz QQUUWOQVQIEJMT-UTKZUKDTSA-N 2 2 393.531 3.749 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763339405 888513526 /nfs/dbraw/zinc/51/35/26/888513526.db2.gz QQUUWOQVQIEJMT-UTKZUKDTSA-N 2 2 393.531 3.749 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3nc(C)sc3C)cc2F)CC1 ZINC000772879581 899488021 /nfs/dbraw/zinc/48/80/21/899488021.db2.gz JNAPBUKSBNVTSG-CQSZACIVSA-N 2 2 376.545 3.892 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152267634 904252182 /nfs/dbraw/zinc/25/21/82/904252182.db2.gz XBQJQHSAHCYCIT-QGZVFWFLSA-N 2 2 380.467 3.699 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)cc2F)CC1 ZINC001178527656 909089338 /nfs/dbraw/zinc/08/93/38/909089338.db2.gz DUUWQUCXPYQUQQ-UHFFFAOYSA-N 3 2 390.591 3.712 20 10 GHCDLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Cl)ccc1O ZINC000775510266 918444394 /nfs/dbraw/zinc/44/43/94/918444394.db2.gz ZDJYNFRZVLBYJP-QMMLZNLJSA-N 2 2 388.939 3.969 20 10 GHCDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Cl)ccc1O ZINC000775510266 918444399 /nfs/dbraw/zinc/44/43/99/918444399.db2.gz ZDJYNFRZVLBYJP-QMMLZNLJSA-N 2 2 388.939 3.969 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H]3CCCF)CC2)cc1 ZINC000800965315 920652413 /nfs/dbraw/zinc/65/24/13/920652413.db2.gz HUYBUUPPXGYDDW-UGKGYDQZSA-N 2 2 377.548 3.715 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902762998 922480115 /nfs/dbraw/zinc/48/01/15/922480115.db2.gz SWYSTSIURFLLML-IBGZPJMESA-N 2 2 390.531 3.932 20 10 GHCDLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001204327796 1032769796 /nfs/dbraw/zinc/76/97/96/1032769796.db2.gz ISOCOCLMKPAALZ-NRFANRHFSA-N 2 2 399.579 3.526 20 10 GHCDLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001204327796 1032769808 /nfs/dbraw/zinc/76/98/08/1032769808.db2.gz ISOCOCLMKPAALZ-NRFANRHFSA-N 2 2 399.579 3.526 20 10 GHCDLP COc1cc(O)c(C[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC001141030651 1023295457 /nfs/dbraw/zinc/29/54/57/1023295457.db2.gz FKFKFSGTGLJZHN-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP COc1cc(O)c(C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC001141030651 1023295466 /nfs/dbraw/zinc/29/54/66/1023295466.db2.gz FKFKFSGTGLJZHN-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1O ZINC000756400410 1023629744 /nfs/dbraw/zinc/62/97/44/1023629744.db2.gz KIGXWYDDNNAAGC-HRAATJIYSA-N 2 2 389.490 3.700 20 10 GHCDLP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1O ZINC000756400410 1023629749 /nfs/dbraw/zinc/62/97/49/1023629749.db2.gz KIGXWYDDNNAAGC-HRAATJIYSA-N 2 2 389.490 3.700 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000756504681 1023688207 /nfs/dbraw/zinc/68/82/07/1023688207.db2.gz PQGJNJGRPFMHPY-PKOBYXMFSA-N 2 2 382.504 3.742 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000756504681 1023688212 /nfs/dbraw/zinc/68/82/12/1023688212.db2.gz PQGJNJGRPFMHPY-PKOBYXMFSA-N 2 2 382.504 3.742 20 10 GHCDLP Cc1c(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c2ccccc2n1C ZINC001138255477 1024479324 /nfs/dbraw/zinc/47/93/24/1024479324.db2.gz IJXBZKPWOJPVIJ-UHFFFAOYSA-N 2 2 391.563 3.851 20 10 GHCDLP Cc1c(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c2ccccc2n1C ZINC001138255477 1024479329 /nfs/dbraw/zinc/47/93/29/1024479329.db2.gz IJXBZKPWOJPVIJ-UHFFFAOYSA-N 2 2 391.563 3.851 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cc1 ZINC001203933516 1027728064 /nfs/dbraw/zinc/72/80/64/1027728064.db2.gz OETGOENHBKAROC-UHFFFAOYSA-N 2 2 390.531 3.931 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)cc1 ZINC001203933516 1027728083 /nfs/dbraw/zinc/72/80/83/1027728083.db2.gz OETGOENHBKAROC-UHFFFAOYSA-N 2 2 390.531 3.931 20 10 GHCDLP CN(C)c1ccc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cc1 ZINC001203933516 1027728103 /nfs/dbraw/zinc/72/81/03/1027728103.db2.gz OETGOENHBKAROC-UHFFFAOYSA-N 2 2 390.531 3.931 20 10 GHCDLP CN(C)c1ccc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cc1 ZINC001203933516 1027728113 /nfs/dbraw/zinc/72/81/13/1027728113.db2.gz OETGOENHBKAROC-UHFFFAOYSA-N 2 2 390.531 3.931 20 10 GHCDLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000841044977 1028063176 /nfs/dbraw/zinc/06/31/76/1028063176.db2.gz HEGUHRYACIDFPB-MGPUTAFESA-N 2 2 388.943 3.721 20 10 GHCDLP COc1cc(Cl)cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1O ZINC001233288367 1039067920 /nfs/dbraw/zinc/06/79/20/1039067920.db2.gz IIGJQPJKXSJAEA-HUUCEWRRSA-N 2 2 378.925 3.680 20 10 GHCDLP Oc1c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736573 1039578102 /nfs/dbraw/zinc/57/81/02/1039578102.db2.gz NGQVZWYGCYICEX-GASCZTMLSA-N 2 2 398.450 3.916 20 10 GHCDLP Oc1c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736573 1039578116 /nfs/dbraw/zinc/57/81/16/1039578116.db2.gz NGQVZWYGCYICEX-GASCZTMLSA-N 2 2 398.450 3.916 20 10 GHCDLP Oc1c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736573 1039578132 /nfs/dbraw/zinc/57/81/32/1039578132.db2.gz NGQVZWYGCYICEX-GASCZTMLSA-N 2 2 398.450 3.916 20 10 GHCDLP Oc1c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736573 1039578141 /nfs/dbraw/zinc/57/81/41/1039578141.db2.gz NGQVZWYGCYICEX-GASCZTMLSA-N 2 2 398.450 3.916 20 10 GHCDLP Oc1c(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc(Br)cc1C(F)(F)F ZINC001235105872 1040594532 /nfs/dbraw/zinc/59/45/32/1040594532.db2.gz HNKFRIRRMDASPL-UHFFFAOYSA-N 2 2 393.247 3.749 20 10 GHCDLP COCC[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CCC[NH2+]C1 ZINC001236333688 1041675948 /nfs/dbraw/zinc/67/59/48/1041675948.db2.gz YISKSVNBKCFESF-MRXNPFEDSA-N 2 2 393.325 3.508 20 10 GHCDLP COCC[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CCC[NH2+]C1 ZINC001236333688 1041675952 /nfs/dbraw/zinc/67/59/52/1041675952.db2.gz YISKSVNBKCFESF-MRXNPFEDSA-N 2 2 393.325 3.508 20 10 GHCDLP COc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(Cl)c1 ZINC001236795698 1041900867 /nfs/dbraw/zinc/90/08/67/1041900867.db2.gz NOWLYFQTFLINRA-OKILXGFUSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1cc(O)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(Cl)c1 ZINC001236795698 1041900868 /nfs/dbraw/zinc/90/08/68/1041900868.db2.gz NOWLYFQTFLINRA-OKILXGFUSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c(Cl)c1 ZINC001236795698 1041900872 /nfs/dbraw/zinc/90/08/72/1041900872.db2.gz NOWLYFQTFLINRA-OKILXGFUSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(Cl)c1 ZINC001236795698 1041900874 /nfs/dbraw/zinc/90/08/74/1041900874.db2.gz NOWLYFQTFLINRA-OKILXGFUSA-N 2 2 378.925 3.680 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC34CC4)cc2Br)CC1 ZINC001237100307 1042035688 /nfs/dbraw/zinc/03/56/88/1042035688.db2.gz UGISGQHXLACPLG-UHFFFAOYSA-N 2 2 378.358 3.719 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC34CC4)cc2Br)CC1 ZINC001237100307 1042035689 /nfs/dbraw/zinc/03/56/89/1042035689.db2.gz UGISGQHXLACPLG-UHFFFAOYSA-N 2 2 378.358 3.719 20 10 GHCDLP Oc1cccc(OC(F)(F)F)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001237114383 1042046137 /nfs/dbraw/zinc/04/61/37/1042046137.db2.gz KUKNVBOUEKZKRU-CALCHBBNSA-N 2 2 392.421 3.855 20 10 GHCDLP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001237114383 1042046143 /nfs/dbraw/zinc/04/61/43/1042046143.db2.gz KUKNVBOUEKZKRU-CALCHBBNSA-N 2 2 392.421 3.855 20 10 GHCDLP Oc1cccc(OC(F)(F)F)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001237114383 1042046150 /nfs/dbraw/zinc/04/61/50/1042046150.db2.gz KUKNVBOUEKZKRU-CALCHBBNSA-N 2 2 392.421 3.855 20 10 GHCDLP Oc1cccc(OC(F)(F)F)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001237114383 1042046159 /nfs/dbraw/zinc/04/61/59/1042046159.db2.gz KUKNVBOUEKZKRU-CALCHBBNSA-N 2 2 392.421 3.855 20 10 GHCDLP Cc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1Br ZINC001237686753 1042327022 /nfs/dbraw/zinc/32/70/22/1042327022.db2.gz XNZIHBUOBFTNRW-INIZCTEOSA-N 2 2 377.282 3.902 20 10 GHCDLP Cc1cc(O)c(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1Br ZINC001237686753 1042327027 /nfs/dbraw/zinc/32/70/27/1042327027.db2.gz XNZIHBUOBFTNRW-INIZCTEOSA-N 2 2 377.282 3.902 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)CC(C)(C)SC)CC2)cc1 ZINC001258316518 1044504809 /nfs/dbraw/zinc/50/48/09/1044504809.db2.gz RMRCYHFPVNFUHW-SFHVURJKSA-N 2 2 379.614 3.717 20 10 GHCDLP C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001337025785 1052380232 /nfs/dbraw/zinc/38/02/32/1052380232.db2.gz KPQCRCVNIYAQBD-UHFFFAOYSA-N 2 2 378.564 3.821 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001337025785 1052380246 /nfs/dbraw/zinc/38/02/46/1052380246.db2.gz KPQCRCVNIYAQBD-UHFFFAOYSA-N 2 2 378.564 3.821 20 10 GHCDLP COc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321029254 1056063881 /nfs/dbraw/zinc/06/38/81/1056063881.db2.gz PQQRBWPEJVPGEF-UHFFFAOYSA-N 2 2 377.891 3.529 20 10 GHCDLP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC001337786794 1058262950 /nfs/dbraw/zinc/26/29/50/1058262950.db2.gz YJEWTVSNHFOCSY-QUCCMNQESA-N 2 2 396.531 3.750 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Cl)cc(F)c3O)cc2F)CC1 ZINC001473982897 1074225869 /nfs/dbraw/zinc/22/58/69/1074225869.db2.gz KZIMTFDMFFCTRQ-UHFFFAOYSA-N 2 2 395.881 3.756 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCOc4ccccc43)CC2)cc1 ZINC000764683568 859567288 /nfs/dbraw/zinc/56/72/88/859567288.db2.gz LFLRTUKTDGEEHG-QHCPKHFHSA-N 2 2 395.547 3.711 20 10 GHCDLP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1cccc(Cl)c1O ZINC000806131498 884349687 /nfs/dbraw/zinc/34/96/87/884349687.db2.gz KGFBHDAOLNSCPD-IBGZPJMESA-N 2 2 388.943 3.823 20 10 GHCDLP COc1c(O)c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000811519166 889672574 /nfs/dbraw/zinc/67/25/74/889672574.db2.gz WYXQVZUXSAPQMU-SFHVURJKSA-N 2 2 399.491 3.701 20 10 GHCDLP COc1c(O)c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000811519166 889672582 /nfs/dbraw/zinc/67/25/82/889672582.db2.gz WYXQVZUXSAPQMU-SFHVURJKSA-N 2 2 399.491 3.701 20 10 GHCDLP C[N@H+](Cc1ccc2ccccc2c1O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000816575367 894953538 /nfs/dbraw/zinc/95/35/38/894953538.db2.gz KVFIVWYOERKRAY-XMMPIXPASA-N 2 2 376.500 3.614 20 10 GHCDLP C[N@@H+](Cc1ccc2ccccc2c1O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000816575367 894953548 /nfs/dbraw/zinc/95/35/48/894953548.db2.gz KVFIVWYOERKRAY-XMMPIXPASA-N 2 2 376.500 3.614 20 10 GHCDLP C[NH+](Cc1ccc2ccccc2c1O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000816575367 894953556 /nfs/dbraw/zinc/95/35/56/894953556.db2.gz KVFIVWYOERKRAY-XMMPIXPASA-N 2 2 376.500 3.614 20 10 GHCDLP C[NH+](Cc1ccc2ccccc2c1O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000816575367 894953562 /nfs/dbraw/zinc/95/35/62/894953562.db2.gz KVFIVWYOERKRAY-XMMPIXPASA-N 2 2 376.500 3.614 20 10 GHCDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1C ZINC000824903733 899870302 /nfs/dbraw/zinc/87/03/02/899870302.db2.gz LSWWHOCQZYUBOD-UHFFFAOYSA-N 2 2 381.520 3.716 20 10 GHCDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000247175419 911025558 /nfs/dbraw/zinc/02/55/58/911025558.db2.gz UWRDRKGRTJVZNY-WMZHIEFXSA-N 2 2 396.604 3.635 20 10 GHCDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000247175419 911025566 /nfs/dbraw/zinc/02/55/66/911025566.db2.gz UWRDRKGRTJVZNY-WMZHIEFXSA-N 2 2 396.604 3.635 20 10 GHCDLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1ccc(Br)cc1O ZINC000903379957 922977287 /nfs/dbraw/zinc/97/72/87/922977287.db2.gz JKJPWCGFVJLFBP-CXAGYDPISA-N 2 2 378.314 3.893 20 10 GHCDLP COc1cccc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1O ZINC001203593449 1027459435 /nfs/dbraw/zinc/45/94/35/1027459435.db2.gz MUVGCGVSDHPINY-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP COc1cccc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1O ZINC001203593449 1027459446 /nfs/dbraw/zinc/45/94/46/1027459446.db2.gz MUVGCGVSDHPINY-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP COc1cccc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1O ZINC001203593449 1027459453 /nfs/dbraw/zinc/45/94/53/1027459453.db2.gz MUVGCGVSDHPINY-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP COc1cccc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1O ZINC001203593449 1027459459 /nfs/dbraw/zinc/45/94/59/1027459459.db2.gz MUVGCGVSDHPINY-UHFFFAOYSA-N 2 2 393.487 3.579 20 10 GHCDLP CCCOc1c(Cl)cc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000841041970 1028061100 /nfs/dbraw/zinc/06/11/00/1028061100.db2.gz GNCASKHMHKCMGY-IBGZPJMESA-N 2 2 391.943 3.993 20 10 GHCDLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045556 1028066348 /nfs/dbraw/zinc/06/63/48/1028066348.db2.gz MSPKNIARBDJRGB-NRFANRHFSA-N 2 2 399.489 3.623 20 10 GHCDLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cl)cc1O ZINC000841746687 1028908317 /nfs/dbraw/zinc/90/83/17/1028908317.db2.gz KMOGYAHBKUIEIG-INIZCTEOSA-N 2 2 390.911 3.607 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2CCO[C@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001222369053 1030092278 /nfs/dbraw/zinc/09/22/78/1030092278.db2.gz UVZCBCIMEHOGRA-QHCPKHFHSA-N 2 2 389.584 3.753 20 10 GHCDLP CCCCN(CCCC)c1ccc(C[N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001222369053 1030092299 /nfs/dbraw/zinc/09/22/99/1030092299.db2.gz UVZCBCIMEHOGRA-QHCPKHFHSA-N 2 2 389.584 3.753 20 10 GHCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195705 1038962117 /nfs/dbraw/zinc/96/21/17/1038962117.db2.gz ONHPKYQGPKSDJU-KSSFIOAISA-N 2 2 375.310 3.834 20 10 GHCDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195705 1038962120 /nfs/dbraw/zinc/96/21/20/1038962120.db2.gz ONHPKYQGPKSDJU-KSSFIOAISA-N 2 2 375.310 3.834 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(Cl)c1 ZINC001236795491 1041899327 /nfs/dbraw/zinc/89/93/27/1041899327.db2.gz MTFFLFLLCDZGLG-ROUUACIJSA-N 2 2 386.923 3.926 20 10 GHCDLP CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237092586 1042032825 /nfs/dbraw/zinc/03/28/25/1042032825.db2.gz IJKRQJQJIXLPKG-GOSISDBHSA-N 2 2 380.374 3.821 20 10 GHCDLP CC(C)[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237092586 1042032829 /nfs/dbraw/zinc/03/28/29/1042032829.db2.gz IJKRQJQJIXLPKG-GOSISDBHSA-N 2 2 380.374 3.821 20 10 GHCDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256532746 1043467951 /nfs/dbraw/zinc/46/79/51/1043467951.db2.gz KCFDPNGCMJTFCP-RDPSFJRHSA-N 3 2 393.575 3.999 20 10 GHCDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256532746 1043467968 /nfs/dbraw/zinc/46/79/68/1043467968.db2.gz KCFDPNGCMJTFCP-RDPSFJRHSA-N 3 2 393.575 3.999 20 10 GHCDLP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cc(F)cc(F)c3O)CC2)c1 ZINC001308195912 1049908349 /nfs/dbraw/zinc/90/83/49/1049908349.db2.gz CPOLFAIQSNWXJB-UHFFFAOYSA-N 2 2 389.490 3.671 20 10 GHCDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(N3CCCC3)cc2)cc1F ZINC001327386021 1050171915 /nfs/dbraw/zinc/17/19/15/1050171915.db2.gz IBMBRXKAJIHWAP-UNMCSNQZSA-N 2 2 383.511 3.670 20 10 GHCDLP C[NH+]1CCN(c2ccc(CN[C@@H](C[NH+]3CCCC3)c3ccccc3)cc2F)CC1 ZINC001473909684 1074200030 /nfs/dbraw/zinc/20/00/30/1074200030.db2.gz VVDKBERJRAJMIE-QHCPKHFHSA-N 2 2 396.554 3.504 20 10 GHCDLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(O)c1OC ZINC000893183057 838690069 /nfs/dbraw/zinc/69/00/69/838690069.db2.gz MPPNVISWPBCEMM-LJQANCHMSA-N 2 2 381.476 3.754 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742392536 867258597 /nfs/dbraw/zinc/25/85/97/867258597.db2.gz QGMGJPXDRHBLFX-QGZVFWFLSA-N 2 2 380.467 3.699 20 10 GHCDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775727253 873224102 /nfs/dbraw/zinc/22/41/02/873224102.db2.gz OKHVDERFXQQTPX-UHFFFAOYSA-N 2 2 397.966 3.813 20 10 GHCDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775727253 873224116 /nfs/dbraw/zinc/22/41/16/873224116.db2.gz OKHVDERFXQQTPX-UHFFFAOYSA-N 2 2 397.966 3.813 20 10 GHCDLP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000093563697 912344380 /nfs/dbraw/zinc/34/43/80/912344380.db2.gz KKUFADFJXRVIGC-MRXNPFEDSA-N 2 2 383.330 3.614 20 10 GHCDLP COc1cc(Br)cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000093563697 912344391 /nfs/dbraw/zinc/34/43/91/912344391.db2.gz KKUFADFJXRVIGC-MRXNPFEDSA-N 2 2 383.330 3.614 20 10 GHCDLP Oc1c(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)ccc2ccccc21 ZINC000816541517 894909221 /nfs/dbraw/zinc/90/92/21/894909221.db2.gz OHWTWPIOXAXUOT-UHFFFAOYSA-N 2 2 392.499 3.546 20 10 GHCDLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939138 895969072 /nfs/dbraw/zinc/96/90/72/895969072.db2.gz ZLBUMNXKSHCEQA-IIBYNOLFSA-N 2 2 383.540 3.633 20 10 GHCDLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883387222 897549780 /nfs/dbraw/zinc/54/97/80/897549780.db2.gz UFAOXDLHWHZDBQ-AVRDEDQJSA-N 2 2 394.494 3.951 20 10 GHCDLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883387225 897550225 /nfs/dbraw/zinc/55/02/25/897550225.db2.gz UFAOXDLHWHZDBQ-XMSQKQJNSA-N 2 2 394.494 3.951 20 10 GHCDLP Oc1cc(Br)ccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000825096571 899972860 /nfs/dbraw/zinc/97/28/60/899972860.db2.gz IBIZLDRNHLGMRG-UHFFFAOYSA-N 2 2 389.337 3.951 20 10 GHCDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001178404883 909045491 /nfs/dbraw/zinc/04/54/91/909045491.db2.gz YEKCJAOLPOKCLD-UHFFFAOYSA-N 2 2 381.564 3.648 20 10 GHCDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001178404883 909045515 /nfs/dbraw/zinc/04/55/15/909045515.db2.gz YEKCJAOLPOKCLD-UHFFFAOYSA-N 2 2 381.564 3.648 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(Cl)cn3)cc2F)CC1 ZINC000775501175 918392832 /nfs/dbraw/zinc/39/28/32/918392832.db2.gz CGFJYZKBQPGWKU-OAHLLOKOSA-N 2 2 376.907 3.867 20 10 GHCDLP COc1c(O)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000802655813 922315535 /nfs/dbraw/zinc/31/55/35/922315535.db2.gz DZPUPFJDQUINES-LJQANCHMSA-N 2 2 399.491 3.699 20 10 GHCDLP COc1c(O)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000802655813 922315548 /nfs/dbraw/zinc/31/55/48/922315548.db2.gz DZPUPFJDQUINES-LJQANCHMSA-N 2 2 399.491 3.699 20 10 GHCDLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(Br)cc1O ZINC000903379959 922977736 /nfs/dbraw/zinc/97/77/36/922977736.db2.gz JKJPWCGFVJLFBP-DYVFJYSZSA-N 2 2 378.314 3.893 20 10 GHCDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)CC1 ZINC000092587735 1021085319 /nfs/dbraw/zinc/08/53/19/1021085319.db2.gz SJTXKNZCZVSCRE-NRFANRHFSA-N 2 2 389.559 3.606 20 10 GHCDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)CC1 ZINC000092587735 1021085329 /nfs/dbraw/zinc/08/53/29/1021085329.db2.gz SJTXKNZCZVSCRE-NRFANRHFSA-N 2 2 389.559 3.606 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)c3cc(F)ccc3O)CC2)cc1 ZINC000834887559 1021616574 /nfs/dbraw/zinc/61/65/74/1021616574.db2.gz TZTGIQNMJRWRKY-OAHLLOKOSA-N 2 2 385.483 3.805 20 10 GHCDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923763 1022900359 /nfs/dbraw/zinc/90/03/59/1022900359.db2.gz FWWVRETZNHXJEE-UGKGYDQZSA-N 2 2 391.987 3.586 20 10 GHCDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923763 1022900361 /nfs/dbraw/zinc/90/03/61/1022900361.db2.gz FWWVRETZNHXJEE-UGKGYDQZSA-N 2 2 391.987 3.586 20 10 GHCDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923763 1022900365 /nfs/dbraw/zinc/90/03/65/1022900365.db2.gz FWWVRETZNHXJEE-UGKGYDQZSA-N 2 2 391.987 3.586 20 10 GHCDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140923763 1022900367 /nfs/dbraw/zinc/90/03/67/1022900367.db2.gz FWWVRETZNHXJEE-UGKGYDQZSA-N 2 2 391.987 3.586 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c2c1c(F)ccc2O ZINC000756605075 1023733700 /nfs/dbraw/zinc/73/37/00/1023733700.db2.gz QGRIOBIGROOESE-VUBSUSDNSA-N 2 2 384.495 3.552 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c2c1c(F)ccc2O ZINC000756605075 1023733711 /nfs/dbraw/zinc/73/37/11/1023733711.db2.gz QGRIOBIGROOESE-VUBSUSDNSA-N 2 2 384.495 3.552 20 10 GHCDLP COc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)c(OC)c1 ZINC001138549660 1024996926 /nfs/dbraw/zinc/99/69/26/1024996926.db2.gz BQYLDRNMRHKZCH-UHFFFAOYSA-N 2 2 392.503 3.520 20 10 GHCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139132266 1025945007 /nfs/dbraw/zinc/94/50/07/1025945007.db2.gz VDSHVWPDLANVKY-IBGZPJMESA-N 2 2 392.499 3.761 20 10 GHCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139132266 1025945012 /nfs/dbraw/zinc/94/50/12/1025945012.db2.gz VDSHVWPDLANVKY-IBGZPJMESA-N 2 2 392.499 3.761 20 10 GHCDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139132266 1025945014 /nfs/dbraw/zinc/94/50/14/1025945014.db2.gz VDSHVWPDLANVKY-IBGZPJMESA-N 2 2 392.499 3.761 20 10 GHCDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139132266 1025945015 /nfs/dbraw/zinc/94/50/15/1025945015.db2.gz VDSHVWPDLANVKY-IBGZPJMESA-N 2 2 392.499 3.761 20 10 GHCDLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041756 1028061441 /nfs/dbraw/zinc/06/14/41/1028061441.db2.gz BHTDHWGWIBRAAT-QFIPXVFZSA-N 2 2 397.954 3.998 20 10 GHCDLP Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(C)c1 ZINC001219204063 1031303875 /nfs/dbraw/zinc/30/38/75/1031303875.db2.gz SQYKXNBQNABLGB-RRRUWBTGSA-N 2 2 376.464 3.961 20 10 GHCDLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc(Cl)c(Cl)cc3O)C2)C1 ZINC001236790633 1041896535 /nfs/dbraw/zinc/89/65/35/1041896535.db2.gz RWLUPTFFMQVWGO-OXQOHEQNSA-N 2 2 399.362 3.879 20 10 GHCDLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc(Cl)c(Cl)cc3O)C2)C1 ZINC001236790633 1041896539 /nfs/dbraw/zinc/89/65/39/1041896539.db2.gz RWLUPTFFMQVWGO-OXQOHEQNSA-N 2 2 399.362 3.879 20 10 GHCDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cc(Cl)c(Cl)cc3O)C2)C1 ZINC001236790633 1041896542 /nfs/dbraw/zinc/89/65/42/1041896542.db2.gz RWLUPTFFMQVWGO-OXQOHEQNSA-N 2 2 399.362 3.879 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)c(Cl)c1 ZINC001236795489 1041899902 /nfs/dbraw/zinc/89/99/02/1041899902.db2.gz MTFFLFLLCDZGLG-QZTJIDSGSA-N 2 2 386.923 3.926 20 10 GHCDLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)cc(F)c3O)C2)ccn1 ZINC001308876687 1050135120 /nfs/dbraw/zinc/13/51/20/1050135120.db2.gz NRWPQTVCYIHTDK-IBGZPJMESA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)cc(F)c3O)C2)ccn1 ZINC001308876687 1050135123 /nfs/dbraw/zinc/13/51/23/1050135123.db2.gz NRWPQTVCYIHTDK-IBGZPJMESA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C2)ccn1 ZINC001308876687 1050135125 /nfs/dbraw/zinc/13/51/25/1050135125.db2.gz NRWPQTVCYIHTDK-IBGZPJMESA-N 2 2 391.462 3.559 20 10 GHCDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)ccn1 ZINC001308876687 1050135131 /nfs/dbraw/zinc/13/51/31/1050135131.db2.gz NRWPQTVCYIHTDK-IBGZPJMESA-N 2 2 391.462 3.559 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168685975 856748063 /nfs/dbraw/zinc/74/80/63/856748063.db2.gz USOYIQMHEBHUCH-LJQANCHMSA-N 2 2 399.966 3.618 20 10 GHCDLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)cc(F)c3O)C2)ccn1 ZINC000856553900 881387320 /nfs/dbraw/zinc/38/73/20/881387320.db2.gz YUWJLAHCHCXYIG-SFHVURJKSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)cc(F)c3O)C2)ccn1 ZINC000856553900 881387350 /nfs/dbraw/zinc/38/73/50/881387350.db2.gz YUWJLAHCHCXYIG-SFHVURJKSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)ccn1 ZINC000856553900 881387385 /nfs/dbraw/zinc/38/73/85/881387385.db2.gz YUWJLAHCHCXYIG-SFHVURJKSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)ccn1 ZINC000856553900 881387415 /nfs/dbraw/zinc/38/74/15/881387415.db2.gz YUWJLAHCHCXYIG-SFHVURJKSA-N 2 2 393.890 3.685 20 10 GHCDLP CCC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)c1cccnc1 ZINC000184900586 865032696 /nfs/dbraw/zinc/03/26/96/865032696.db2.gz CFZUTNSDWDLAHT-HSZRJFAPSA-N 2 2 382.552 3.733 20 10 GHCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)cn1 ZINC000185084525 883418329 /nfs/dbraw/zinc/41/83/29/883418329.db2.gz LPGMVCHGQNJFCB-GFCCVEGCSA-N 2 2 387.281 3.895 20 10 GHCDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816535134 894904018 /nfs/dbraw/zinc/90/40/18/894904018.db2.gz HFCDCTDCHCTIJV-UHFFFAOYSA-N 2 2 391.918 3.612 20 10 GHCDLP CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000774909403 914006187 /nfs/dbraw/zinc/00/61/87/914006187.db2.gz MOQKSDADIJCFGF-GOSISDBHSA-N 2 2 399.491 3.653 20 10 GHCDLP CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000774909403 914006204 /nfs/dbraw/zinc/00/62/04/914006204.db2.gz MOQKSDADIJCFGF-GOSISDBHSA-N 2 2 399.491 3.653 20 10 GHCDLP CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000774909403 914006224 /nfs/dbraw/zinc/00/62/24/914006224.db2.gz MOQKSDADIJCFGF-GOSISDBHSA-N 2 2 399.491 3.653 20 10 GHCDLP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Br)ccc1O ZINC000817939541 895968314 /nfs/dbraw/zinc/96/83/14/895968314.db2.gz DXRQPIORERTRFF-QGZVFWFLSA-N 2 2 378.314 3.770 20 10 GHCDLP CCOc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1O ZINC000824903721 899869797 /nfs/dbraw/zinc/86/97/97/899869797.db2.gz KUWFPTPLJNWGRX-UHFFFAOYSA-N 2 2 397.519 3.504 20 10 GHCDLP COc1cccc([C@@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1O ZINC000846143415 902748767 /nfs/dbraw/zinc/74/87/67/902748767.db2.gz FMCAIODEBOQGFH-QZTJIDSGSA-N 2 2 384.520 3.951 20 10 GHCDLP COc1cccc([C@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1O ZINC000846143416 902750160 /nfs/dbraw/zinc/75/01/60/902750160.db2.gz FMCAIODEBOQGFH-ROUUACIJSA-N 2 2 384.520 3.951 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172708090 905791953 /nfs/dbraw/zinc/79/19/53/905791953.db2.gz BBOGTAALZXNSPH-OAQYLSRUSA-N 2 2 399.966 3.618 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cnn(C(C)C)c3C)CC2)cc1 ZINC000191132916 906668374 /nfs/dbraw/zinc/66/83/74/906668374.db2.gz WFUGINLCQCTEGZ-IBGZPJMESA-N 2 2 399.583 3.644 20 10 GHCDLP CCOC(=O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)c1ccccc1 ZINC000777441592 908202942 /nfs/dbraw/zinc/20/29/42/908202942.db2.gz VNYFULSWPMSKEC-HXUWFJFHSA-N 2 2 395.547 3.565 20 10 GHCDLP CCOC(=O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)c1ccccc1 ZINC000777441592 908202961 /nfs/dbraw/zinc/20/29/61/908202961.db2.gz VNYFULSWPMSKEC-HXUWFJFHSA-N 2 2 395.547 3.565 20 10 GHCDLP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(Cl)c(F)cc3O)CC2)oc1C ZINC000293658954 916315533 /nfs/dbraw/zinc/31/55/33/916315533.db2.gz PKGXPWDVONNODQ-UHFFFAOYSA-N 2 2 381.879 3.791 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C/C(C)=C/c3ccccc3)CC2)cc1 ZINC000726606833 926760946 /nfs/dbraw/zinc/76/09/46/926760946.db2.gz BUHIBNRBXZHWGI-XUTLUUPISA-N 2 2 379.548 3.900 20 10 GHCDLP Cc1c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c2ccccc2n1C ZINC001138255832 1024480403 /nfs/dbraw/zinc/48/04/03/1024480403.db2.gz UYPLOCDYNYCRQS-UHFFFAOYSA-N 2 2 391.563 3.727 20 10 GHCDLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c(O)c1 ZINC001205693128 1033533541 /nfs/dbraw/zinc/53/35/41/1033533541.db2.gz QDBSSRNQBJUCTF-UHFFFAOYSA-N 2 2 390.281 3.955 20 10 GHCDLP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c(O)c1 ZINC001205693128 1033533548 /nfs/dbraw/zinc/53/35/48/1033533548.db2.gz QDBSSRNQBJUCTF-UHFFFAOYSA-N 2 2 390.281 3.955 20 10 GHCDLP [NH3+]CCC1CC[NH+](Cc2cc(Br)cc(C(F)(F)F)c2O)CC1 ZINC001206506828 1033880565 /nfs/dbraw/zinc/88/05/65/1033880565.db2.gz RXODGLFWPYVVMP-UHFFFAOYSA-N 2 2 381.236 3.734 20 10 GHCDLP Oc1c(Cl)cccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001231912207 1034986693 /nfs/dbraw/zinc/98/66/93/1034986693.db2.gz XNQUCTUDMNOYPW-UHFFFAOYSA-N 2 2 386.923 3.913 20 10 GHCDLP Oc1c(Cl)cccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001231912207 1034986696 /nfs/dbraw/zinc/98/66/96/1034986696.db2.gz XNQUCTUDMNOYPW-UHFFFAOYSA-N 2 2 386.923 3.913 20 10 GHCDLP COc1cc(Cl)cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c1O ZINC001233288551 1039068178 /nfs/dbraw/zinc/06/81/78/1039068178.db2.gz OMSBMGDOIAGSFH-KDURUIRLSA-N 2 2 386.923 3.926 20 10 GHCDLP COc1cc(Cl)cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c1O ZINC001233288551 1039068193 /nfs/dbraw/zinc/06/81/93/1039068193.db2.gz OMSBMGDOIAGSFH-KDURUIRLSA-N 2 2 386.923 3.926 20 10 GHCDLP COc1cc(Cl)cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)c1O ZINC001233288551 1039068207 /nfs/dbraw/zinc/06/82/07/1039068207.db2.gz OMSBMGDOIAGSFH-KDURUIRLSA-N 2 2 386.923 3.926 20 10 GHCDLP COc1cc(Cl)cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)c1O ZINC001233288551 1039068219 /nfs/dbraw/zinc/06/82/19/1039068219.db2.gz OMSBMGDOIAGSFH-KDURUIRLSA-N 2 2 386.923 3.926 20 10 GHCDLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC001235020306 1040510644 /nfs/dbraw/zinc/51/06/44/1040510644.db2.gz RONYPJVAKHUEBH-UHFFFAOYSA-N 2 2 386.923 4.000 20 10 GHCDLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC001235020306 1040510663 /nfs/dbraw/zinc/51/06/63/1040510663.db2.gz RONYPJVAKHUEBH-UHFFFAOYSA-N 2 2 386.923 4.000 20 10 GHCDLP C[NH+]1CCN(c2ccc(-c3[nH+]ccc4c3ccn4Cc3ccccc3)cn2)CC1 ZINC001235967752 1041470685 /nfs/dbraw/zinc/47/06/85/1041470685.db2.gz PKXQLZITELOORB-UHFFFAOYSA-N 2 2 383.499 3.898 20 10 GHCDLP C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)CC1=CS[C@H]([NH3+])N1 ZINC001236103702 1041534881 /nfs/dbraw/zinc/53/48/81/1041534881.db2.gz WRRKKJRVMATOBC-HSZRJFAPSA-N 2 2 377.557 3.959 20 10 GHCDLP C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)CC1=CS[C@H]([NH3+])N1 ZINC001236103702 1041534915 /nfs/dbraw/zinc/53/49/15/1041534915.db2.gz WRRKKJRVMATOBC-HSZRJFAPSA-N 2 2 377.557 3.959 20 10 GHCDLP O=[N+]([O-])c1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1N1CCCCC1 ZINC000725845866 1048231952 /nfs/dbraw/zinc/23/19/52/1048231952.db2.gz KWNNWSLEECFRIX-UHFFFAOYSA-N 2 2 395.507 3.739 20 10 GHCDLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc(F)cc(F)c3O)cc2)C[C@@H](C)O1 ZINC001308196171 1049908177 /nfs/dbraw/zinc/90/81/77/1049908177.db2.gz DBDGLAGWDSUAIL-HUUCEWRRSA-N 2 2 376.447 3.569 20 10 GHCDLP C[N@H+](Cc1nc2ccccc2s1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319798258 1055474897 /nfs/dbraw/zinc/47/48/97/1055474897.db2.gz DVIAZBIWFKKQGV-UHFFFAOYSA-N 2 2 384.524 3.819 20 10 GHCDLP C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319798258 1055474907 /nfs/dbraw/zinc/47/49/07/1055474907.db2.gz DVIAZBIWFKKQGV-UHFFFAOYSA-N 2 2 384.524 3.819 20 10 GHCDLP CN(C)c1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000733324844 862865733 /nfs/dbraw/zinc/86/57/33/862865733.db2.gz GIODWEJKJQPPOV-UHFFFAOYSA-N 2 2 398.570 3.579 20 10 GHCDLP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC000740899037 866088543 /nfs/dbraw/zinc/08/85/43/866088543.db2.gz NDUQZIJSESBXSC-JTHBVZDNSA-N 2 2 399.554 3.645 20 10 GHCDLP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC000740899037 866088559 /nfs/dbraw/zinc/08/85/59/866088559.db2.gz NDUQZIJSESBXSC-JTHBVZDNSA-N 2 2 399.554 3.645 20 10 GHCDLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3ccc4c(c3)CCCO4)CC2)cc1 ZINC001199403768 874971784 /nfs/dbraw/zinc/97/17/84/874971784.db2.gz ZWWXMYCZNJLHJV-UHFFFAOYSA-N 2 2 393.575 3.699 20 10 GHCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850556386 877022997 /nfs/dbraw/zinc/02/29/97/877022997.db2.gz HCLZAGNEMNAIJG-PXNSSMCTSA-N 2 2 375.532 3.720 20 10 GHCDLP OC1CCN(c2ccc(C[NH2+]C[C@H](c3ccccc3)[NH+]3CCCC3)cc2)CC1 ZINC000876885619 893373450 /nfs/dbraw/zinc/37/34/50/893373450.db2.gz PYFANHOMOUPGTL-XMMPIXPASA-N 2 2 379.548 3.574 20 10 GHCDLP CCC[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)c1ccccn1 ZINC000158514514 901648992 /nfs/dbraw/zinc/64/89/92/901648992.db2.gz GXLRZEIFNOJLLH-QFIPXVFZSA-N 2 2 382.552 3.733 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(O)cccc3Cl)cc2F)CC1 ZINC000113339482 919365958 /nfs/dbraw/zinc/36/59/58/919365958.db2.gz IUZJXAVXULIKCL-UHFFFAOYSA-N 2 2 377.891 3.616 20 10 GHCDLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140286783 1021318940 /nfs/dbraw/zinc/31/89/40/1021318940.db2.gz PIWQXLUTGMQQBA-UHFFFAOYSA-N 2 2 393.575 3.744 20 10 GHCDLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140286783 1021318955 /nfs/dbraw/zinc/31/89/55/1021318955.db2.gz PIWQXLUTGMQQBA-UHFFFAOYSA-N 2 2 393.575 3.744 20 10 GHCDLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140467171 1021764199 /nfs/dbraw/zinc/76/41/99/1021764199.db2.gz NXJWDWVJVWVNES-SFHVURJKSA-N 2 2 390.911 3.894 20 10 GHCDLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140467171 1021764222 /nfs/dbraw/zinc/76/42/22/1021764222.db2.gz NXJWDWVJVWVNES-SFHVURJKSA-N 2 2 390.911 3.894 20 10 GHCDLP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cc(F)cc(F)c1O ZINC000756400436 1023629811 /nfs/dbraw/zinc/62/98/11/1023629811.db2.gz KIGXWYDDNNAAGC-KKSFZXQISA-N 2 2 389.490 3.700 20 10 GHCDLP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cc(F)cc(F)c1O ZINC000756400436 1023629817 /nfs/dbraw/zinc/62/98/17/1023629817.db2.gz KIGXWYDDNNAAGC-KKSFZXQISA-N 2 2 389.490 3.700 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000756622831 1023741321 /nfs/dbraw/zinc/74/13/21/1023741321.db2.gz ZJMJVBAZFPSVOY-DNVCBOLYSA-N 2 2 379.460 3.547 20 10 GHCDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc2c(cc1O)CCCC2 ZINC000756854662 1023835044 /nfs/dbraw/zinc/83/50/44/1023835044.db2.gz APZPDMDOUFFKCV-JXFKEZNVSA-N 2 2 380.536 3.979 20 10 GHCDLP CCOc1ccc(N2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208961239 1035133558 /nfs/dbraw/zinc/13/35/58/1035133558.db2.gz ZBIOXKKXIRPJRW-QFIPXVFZSA-N 2 2 379.548 3.729 20 10 GHCDLP CCOc1ccc(N2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208961239 1035133564 /nfs/dbraw/zinc/13/35/64/1035133564.db2.gz ZBIOXKKXIRPJRW-QFIPXVFZSA-N 2 2 379.548 3.729 20 10 GHCDLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233013566 1038769033 /nfs/dbraw/zinc/76/90/33/1038769033.db2.gz YZVUWLBXYLWEBJ-BPQIPLTHSA-N 2 2 388.533 3.597 20 10 GHCDLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233013566 1038769039 /nfs/dbraw/zinc/76/90/39/1038769039.db2.gz YZVUWLBXYLWEBJ-BPQIPLTHSA-N 2 2 388.533 3.597 20 10 GHCDLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233013566 1038769046 /nfs/dbraw/zinc/76/90/46/1038769046.db2.gz YZVUWLBXYLWEBJ-BPQIPLTHSA-N 2 2 388.533 3.597 20 10 GHCDLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233013566 1038769055 /nfs/dbraw/zinc/76/90/55/1038769055.db2.gz YZVUWLBXYLWEBJ-BPQIPLTHSA-N 2 2 388.533 3.597 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)Cc3ccc(C)cc3)CC2)cc1 ZINC001255774747 1041288346 /nfs/dbraw/zinc/28/83/46/1041288346.db2.gz LCGSKJVTYJPUSW-OAQYLSRUSA-N 2 2 381.564 3.737 20 10 GHCDLP Oc1c(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc(Br)cc1C(F)(F)F ZINC001236007620 1041498440 /nfs/dbraw/zinc/49/84/40/1041498440.db2.gz XRQXTYIEDWVKEY-UHFFFAOYSA-N 2 2 393.247 3.749 20 10 GHCDLP COc1ccc(C[N@H+](Cc2c(O)cc(OC)cc2Cl)C2CC[NH2+]CC2)cc1 ZINC001236445744 1041716370 /nfs/dbraw/zinc/71/63/70/1041716370.db2.gz GEQUKVXSKXCZKW-UHFFFAOYSA-N 2 2 390.911 3.817 20 10 GHCDLP COc1ccc(C[N@@H+](Cc2c(O)cc(OC)cc2Cl)C2CC[NH2+]CC2)cc1 ZINC001236445744 1041716377 /nfs/dbraw/zinc/71/63/77/1041716377.db2.gz GEQUKVXSKXCZKW-UHFFFAOYSA-N 2 2 390.911 3.817 20 10 GHCDLP COc1cc(O)c(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(Br)c1 ZINC001236459517 1041722608 /nfs/dbraw/zinc/72/26/08/1041722608.db2.gz RXPJHEGFIZHKKF-UHFFFAOYSA-N 2 2 385.346 3.763 20 10 GHCDLP COc1cc(O)c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(Br)c1 ZINC001236459517 1041722617 /nfs/dbraw/zinc/72/26/17/1041722617.db2.gz RXPJHEGFIZHKKF-UHFFFAOYSA-N 2 2 385.346 3.763 20 10 GHCDLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cc4ccccc4cc3O)CC2)CC1 ZINC001236830724 1041920535 /nfs/dbraw/zinc/92/05/35/1041920535.db2.gz QPUTZSPUZMYSTP-UHFFFAOYSA-N 2 2 396.531 3.785 20 10 GHCDLP COc1ccc(N(c2ccc(N)cc2)c2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201667559 875804956 /nfs/dbraw/zinc/80/49/56/875804956.db2.gz UNHHWULGAAHYPG-UHFFFAOYSA-N 2 2 389.503 3.894 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@H](OC)c3ccccc3)CC2)cc1 ZINC000786784378 876936413 /nfs/dbraw/zinc/93/64/13/876936413.db2.gz UEOPUCYJLBMDDR-YKSBVNFPSA-N 2 2 397.563 3.573 20 10 GHCDLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)cc1O ZINC000185026145 883398720 /nfs/dbraw/zinc/39/87/20/883398720.db2.gz PASKZNZUUARHEF-ZDUSSCGKSA-N 2 2 376.298 3.869 20 10 GHCDLP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000762648109 886615515 /nfs/dbraw/zinc/61/55/15/886615515.db2.gz GYRAIGCHOWSUOQ-YOEHRIQHSA-N 2 2 385.346 3.696 20 10 GHCDLP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000762648109 886615521 /nfs/dbraw/zinc/61/55/21/886615521.db2.gz GYRAIGCHOWSUOQ-YOEHRIQHSA-N 2 2 385.346 3.696 20 10 GHCDLP OC1CCN(c2ccc(C[NH2+]C[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)CC1 ZINC000876885618 893373866 /nfs/dbraw/zinc/37/38/66/893373866.db2.gz PYFANHOMOUPGTL-DEOSSOPVSA-N 2 2 379.548 3.574 20 10 GHCDLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939201 895968409 /nfs/dbraw/zinc/96/84/09/895968409.db2.gz AIXJBRRIFGIGHX-ZEQRLZLVSA-N 2 2 390.531 3.730 20 10 GHCDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Br)ccc1O ZINC000817941042 895971114 /nfs/dbraw/zinc/97/11/14/895971114.db2.gz IKKSBEPEPCVHTE-ZWKOTPCHSA-N 2 2 392.341 3.961 20 10 GHCDLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Br)ccc1O ZINC000817954283 895976931 /nfs/dbraw/zinc/97/69/31/895976931.db2.gz YCYBPQFYOXAIJA-INIZCTEOSA-N 2 2 391.313 3.523 20 10 GHCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)c(Cl)cc1O ZINC000774198960 911480032 /nfs/dbraw/zinc/48/00/32/911480032.db2.gz QPOVGFSARACAJV-JLTOFOAXSA-N 2 2 395.330 3.987 20 10 GHCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c(Cl)cc1O ZINC000774198960 911480041 /nfs/dbraw/zinc/48/00/41/911480041.db2.gz QPOVGFSARACAJV-JLTOFOAXSA-N 2 2 395.330 3.987 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000782518112 931251580 /nfs/dbraw/zinc/25/15/80/931251580.db2.gz DEPRRUKESWIMBM-ROUUACIJSA-N 2 2 399.501 3.918 20 10 GHCDLP CC(=O)Nc1c(C)cc[nH+]c1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155640640 1032615851 /nfs/dbraw/zinc/61/58/51/1032615851.db2.gz KAARXODCKJQBIW-GPQLQYNLSA-N 2 2 380.536 3.748 20 10 GHCDLP CC(=O)Nc1c(C)cc[nH+]c1N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155640640 1032615862 /nfs/dbraw/zinc/61/58/62/1032615862.db2.gz KAARXODCKJQBIW-GPQLQYNLSA-N 2 2 380.536 3.748 20 10 GHCDLP Oc1cccc(Cl)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001140338219 1021443527 /nfs/dbraw/zinc/44/35/27/1021443527.db2.gz BGDJKUZRKJWHCL-UHFFFAOYSA-N 2 2 392.952 3.974 20 10 GHCDLP Oc1cccc(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001140338219 1021443534 /nfs/dbraw/zinc/44/35/34/1021443534.db2.gz BGDJKUZRKJWHCL-UHFFFAOYSA-N 2 2 392.952 3.974 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000756510154 1023690130 /nfs/dbraw/zinc/69/01/30/1023690130.db2.gz NZGUICALXSCYSV-HZPDHXFCSA-N 2 2 388.533 3.803 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000756510154 1023690134 /nfs/dbraw/zinc/69/01/34/1023690134.db2.gz NZGUICALXSCYSV-HZPDHXFCSA-N 2 2 388.533 3.803 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000756642614 1023751369 /nfs/dbraw/zinc/75/13/69/1023751369.db2.gz OOVQZXBBCZWYAT-UWVAXJGDSA-N 2 2 382.504 3.883 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000756642614 1023751374 /nfs/dbraw/zinc/75/13/74/1023751374.db2.gz OOVQZXBBCZWYAT-UWVAXJGDSA-N 2 2 382.504 3.883 20 10 GHCDLP CN1CCOc2cc(C[NH+]3CCC([N@H+](C)Cc4ccc(F)cc4)CC3)ccc21 ZINC001141144156 1023962343 /nfs/dbraw/zinc/96/23/43/1023962343.db2.gz BMYSSNURZYFPQF-UHFFFAOYSA-N 2 2 383.511 3.751 20 10 GHCDLP CN1CCOc2cc(C[NH+]3CCC([N@@H+](C)Cc4ccc(F)cc4)CC3)ccc21 ZINC001141144156 1023962350 /nfs/dbraw/zinc/96/23/50/1023962350.db2.gz BMYSSNURZYFPQF-UHFFFAOYSA-N 2 2 383.511 3.751 20 10 GHCDLP C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139062784 1025855012 /nfs/dbraw/zinc/85/50/12/1025855012.db2.gz VFWIXYWRBBQKAJ-UHFFFAOYSA-N 2 2 379.548 3.751 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139062784 1025855032 /nfs/dbraw/zinc/85/50/32/1025855032.db2.gz VFWIXYWRBBQKAJ-UHFFFAOYSA-N 2 2 379.548 3.751 20 10 GHCDLP Oc1ccc(Br)cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203645802 1027503551 /nfs/dbraw/zinc/50/35/51/1027503551.db2.gz SSYSLCHATNGQQB-QZTJIDSGSA-N 2 2 387.321 3.719 20 10 GHCDLP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001461270582 1069473334 /nfs/dbraw/zinc/47/33/34/1069473334.db2.gz YZPXZYJQVIQSDW-HXUWFJFHSA-N 2 2 375.607 3.911 20 10 GHCDLP COc1cc(C[N@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236496987 1041739833 /nfs/dbraw/zinc/73/98/33/1041739833.db2.gz RTOSGKICHVOFIV-UHFFFAOYSA-N 2 2 388.483 3.611 20 10 GHCDLP COc1cc(C[N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236496987 1041739840 /nfs/dbraw/zinc/73/98/40/1041739840.db2.gz RTOSGKICHVOFIV-UHFFFAOYSA-N 2 2 388.483 3.611 20 10 GHCDLP Cc1cccc(O)c1C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001237488767 1042231435 /nfs/dbraw/zinc/23/14/35/1042231435.db2.gz PEAXDAFUJLUJJS-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(O)c1C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001237488767 1042231438 /nfs/dbraw/zinc/23/14/38/1042231438.db2.gz PEAXDAFUJLUJJS-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(O)c1C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001237488767 1042231441 /nfs/dbraw/zinc/23/14/41/1042231441.db2.gz PEAXDAFUJLUJJS-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(O)c1C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001237488767 1042231446 /nfs/dbraw/zinc/23/14/46/1042231446.db2.gz PEAXDAFUJLUJJS-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(F)ccc3OC(F)F)cc2F)CC1 ZINC001328158655 1050415906 /nfs/dbraw/zinc/41/59/06/1050415906.db2.gz QLSLKLQROKGMAL-UHFFFAOYSA-N 2 2 397.416 3.608 20 10 GHCDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC001474258810 1074313399 /nfs/dbraw/zinc/31/33/99/1074313399.db2.gz PYBKHBJGCUZRLE-UHFFFAOYSA-N 2 2 380.532 3.782 20 10 GHCDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC001474258810 1074313402 /nfs/dbraw/zinc/31/34/02/1074313402.db2.gz PYBKHBJGCUZRLE-UHFFFAOYSA-N 2 2 380.532 3.782 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151540209 870333807 /nfs/dbraw/zinc/33/38/07/870333807.db2.gz OOFXXUMYMLWTPO-KRWDZBQOSA-N 2 2 394.494 3.823 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCc4ccccc4C3)CC2)cc1 ZINC001199038031 874769920 /nfs/dbraw/zinc/76/99/20/874769920.db2.gz IVVRMVAMLWRVFM-HSZRJFAPSA-N 2 2 393.575 3.745 20 10 GHCDLP Cc1ccc(O)c(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000809753292 887792827 /nfs/dbraw/zinc/79/28/27/887792827.db2.gz PLWUNUUKUSSQKX-UHFFFAOYSA-N 2 2 390.281 3.955 20 10 GHCDLP Cc1ccc(O)c(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000809753292 887792837 /nfs/dbraw/zinc/79/28/37/887792837.db2.gz PLWUNUUKUSSQKX-UHFFFAOYSA-N 2 2 390.281 3.955 20 10 GHCDLP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810209417 888321347 /nfs/dbraw/zinc/32/13/47/888321347.db2.gz QUHWSFQKNGTVQA-SFHVURJKSA-N 2 2 387.490 3.869 20 10 GHCDLP COC(=O)CCCC[C@@H](C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001173445485 906485925 /nfs/dbraw/zinc/48/59/25/906485925.db2.gz PEBVZTSLLCLVOS-UJUVCNOISA-N 2 2 386.492 3.550 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(C(C)(C)C)cs3)cc2F)CC1 ZINC001177725016 908708947 /nfs/dbraw/zinc/70/89/47/908708947.db2.gz YSSHGYCUVDLREG-UHFFFAOYSA-N 2 2 376.545 3.621 20 10 GHCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c2ccccc21 ZINC001204238362 1032683179 /nfs/dbraw/zinc/68/31/79/1032683179.db2.gz PTNWMSHWQZWVSA-NHCUHLMSSA-N 2 2 386.543 3.865 20 10 GHCDLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)CC1 ZINC000092587736 1021084968 /nfs/dbraw/zinc/08/49/68/1021084968.db2.gz SJTXKNZCZVSCRE-OAQYLSRUSA-N 2 2 389.559 3.606 20 10 GHCDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)CC1 ZINC000092587736 1021084975 /nfs/dbraw/zinc/08/49/75/1021084975.db2.gz SJTXKNZCZVSCRE-OAQYLSRUSA-N 2 2 389.559 3.606 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000756510150 1023690449 /nfs/dbraw/zinc/69/04/49/1023690449.db2.gz NZGUICALXSCYSV-CVEARBPZSA-N 2 2 388.533 3.803 20 10 GHCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000756510150 1023690453 /nfs/dbraw/zinc/69/04/53/1023690453.db2.gz NZGUICALXSCYSV-CVEARBPZSA-N 2 2 388.533 3.803 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cc(F)cc(F)c1O ZINC000756568990 1023715772 /nfs/dbraw/zinc/71/57/72/1023715772.db2.gz KEVSRJLGPGBZQC-HNNXBMFYSA-N 2 2 376.447 3.996 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000756636936 1023747599 /nfs/dbraw/zinc/74/75/99/1023747599.db2.gz XVHVNMVQNOYYHE-XGHQBKJUSA-N 2 2 382.504 3.740 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000756636936 1023747608 /nfs/dbraw/zinc/74/76/08/1023747608.db2.gz XVHVNMVQNOYYHE-XGHQBKJUSA-N 2 2 382.504 3.740 20 10 GHCDLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499260 1024932001 /nfs/dbraw/zinc/93/20/01/1024932001.db2.gz AMBKDBWXDUPBRK-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499260 1024932004 /nfs/dbraw/zinc/93/20/04/1024932004.db2.gz AMBKDBWXDUPBRK-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP Brc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1N1CCCCC1 ZINC000839019434 1025523473 /nfs/dbraw/zinc/52/34/73/1025523473.db2.gz UMHJVBWCZVAPLN-MRXNPFEDSA-N 2 2 389.341 3.741 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001203938895 1027731840 /nfs/dbraw/zinc/73/18/40/1027731840.db2.gz KCLJDNNYDKMHQX-UHFFFAOYSA-N 2 2 395.595 3.897 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001203938895 1027731852 /nfs/dbraw/zinc/73/18/52/1027731852.db2.gz KCLJDNNYDKMHQX-UHFFFAOYSA-N 2 2 395.595 3.897 20 10 GHCDLP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000841041974 1028060949 /nfs/dbraw/zinc/06/09/49/1028060949.db2.gz GNCASKHMHKCMGY-LJQANCHMSA-N 2 2 391.943 3.993 20 10 GHCDLP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046244 1028068997 /nfs/dbraw/zinc/06/89/97/1028068997.db2.gz YJXUOFKWKJCVNU-MGPUTAFESA-N 2 2 377.479 3.965 20 10 GHCDLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC001207020013 1034055680 /nfs/dbraw/zinc/05/56/80/1034055680.db2.gz ZXLKSMUIHWQNSA-UHFFFAOYSA-N 2 2 390.568 3.775 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)Cc3ccccc3F)CC2)cc1 ZINC001255831962 1041329779 /nfs/dbraw/zinc/32/97/79/1041329779.db2.gz YDPNWYOXMMWDMS-LJQANCHMSA-N 2 2 385.527 3.567 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001255856362 1041349301 /nfs/dbraw/zinc/34/93/01/1041349301.db2.gz KEAFIGUEYSHDDC-IBGZPJMESA-N 2 2 385.527 3.567 20 10 GHCDLP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(F)ccc1O)C2 ZINC001279197665 1047740118 /nfs/dbraw/zinc/74/01/18/1047740118.db2.gz XKOOZEKKCUKPGZ-FQEVSTJZSA-N 2 2 375.513 3.784 20 10 GHCDLP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(F)ccc1O)C2 ZINC001279197665 1047740125 /nfs/dbraw/zinc/74/01/25/1047740125.db2.gz XKOOZEKKCUKPGZ-FQEVSTJZSA-N 2 2 375.513 3.784 20 10 GHCDLP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001279197665 1047740135 /nfs/dbraw/zinc/74/01/35/1047740135.db2.gz XKOOZEKKCUKPGZ-FQEVSTJZSA-N 2 2 375.513 3.784 20 10 GHCDLP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001279197665 1047740142 /nfs/dbraw/zinc/74/01/42/1047740142.db2.gz XKOOZEKKCUKPGZ-FQEVSTJZSA-N 2 2 375.513 3.784 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C(F)(F)F)c1 ZINC001322401853 1056678468 /nfs/dbraw/zinc/67/84/68/1056678468.db2.gz IBWZQOHXNDNAMX-OAHLLOKOSA-N 2 2 380.458 3.960 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C(F)(F)F)c1 ZINC001322401853 1056678471 /nfs/dbraw/zinc/67/84/71/1056678471.db2.gz IBWZQOHXNDNAMX-OAHLLOKOSA-N 2 2 380.458 3.960 20 10 GHCDLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC001474640371 1074494740 /nfs/dbraw/zinc/49/47/40/1074494740.db2.gz FZDYLDNTRRRAAP-KRWDZBQOSA-N 2 2 386.293 3.962 20 10 GHCDLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)c(F)cc3O)C2)ccn1 ZINC000856548643 881363163 /nfs/dbraw/zinc/36/31/63/881363163.db2.gz LAQZAQXIXAJSDI-KRWDZBQOSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)c(F)cc3O)C2)ccn1 ZINC000856548643 881363182 /nfs/dbraw/zinc/36/31/82/881363182.db2.gz LAQZAQXIXAJSDI-KRWDZBQOSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)ccn1 ZINC000856548643 881363199 /nfs/dbraw/zinc/36/31/99/881363199.db2.gz LAQZAQXIXAJSDI-KRWDZBQOSA-N 2 2 393.890 3.685 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)ccn1 ZINC000856548643 881363215 /nfs/dbraw/zinc/36/32/15/881363215.db2.gz LAQZAQXIXAJSDI-KRWDZBQOSA-N 2 2 393.890 3.685 20 10 GHCDLP Fc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1N1CCOCC1 ZINC000769314089 873958990 /nfs/dbraw/zinc/95/89/90/873958990.db2.gz CZKYNGZJSYTXCA-NRFANRHFSA-N 2 2 389.559 3.750 20 10 GHCDLP Fc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1N1CCOCC1 ZINC000769314089 873958996 /nfs/dbraw/zinc/95/89/96/873958996.db2.gz CZKYNGZJSYTXCA-NRFANRHFSA-N 2 2 389.559 3.750 20 10 GHCDLP CN(C)c1cc(F)c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1F ZINC000858150736 882889492 /nfs/dbraw/zinc/88/94/92/882889492.db2.gz HGAAHZMZXFCXMS-UHFFFAOYSA-N 2 2 389.494 3.568 20 10 GHCDLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC001202102625 876003156 /nfs/dbraw/zinc/00/31/56/876003156.db2.gz UZJNNORGHNVQDQ-VWLOTQADSA-N 2 2 393.575 3.648 20 10 GHCDLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC001202102625 876003166 /nfs/dbraw/zinc/00/31/66/876003166.db2.gz UZJNNORGHNVQDQ-VWLOTQADSA-N 2 2 393.575 3.648 20 10 GHCDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858463531 883117781 /nfs/dbraw/zinc/11/77/81/883117781.db2.gz RSXSRUBASRJRQJ-XLIONFOSSA-N 2 2 375.532 3.720 20 10 GHCDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858463531 883117785 /nfs/dbraw/zinc/11/77/85/883117785.db2.gz RSXSRUBASRJRQJ-XLIONFOSSA-N 2 2 375.532 3.720 20 10 GHCDLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(C)cc1O ZINC000794803970 888108629 /nfs/dbraw/zinc/10/86/29/888108629.db2.gz TXZOANCBZLKFNN-JOCHJYFZSA-N 2 2 384.520 3.653 20 10 GHCDLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(OC)c(OC)c1O ZINC001184452608 913231323 /nfs/dbraw/zinc/23/13/23/913231323.db2.gz QSHFJEXCZLYUSH-UHFFFAOYSA-N 2 2 398.507 3.713 20 10 GHCDLP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1OC(F)F ZINC000817938524 895967008 /nfs/dbraw/zinc/96/70/08/895967008.db2.gz MEFTYCGWKMCJFY-CXAGYDPISA-N 2 2 379.451 3.713 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000817940022 895970740 /nfs/dbraw/zinc/97/07/40/895970740.db2.gz DUVFUIWWFNBYSG-FGZHOGPDSA-N 2 2 375.520 3.605 20 10 GHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Br)cc1O ZINC000817941190 895970799 /nfs/dbraw/zinc/97/07/99/895970799.db2.gz JIPZRUVPMJPTTP-YVEFUNNKSA-N 2 2 378.314 3.571 20 10 GHCDLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000818614691 896217603 /nfs/dbraw/zinc/21/76/03/896217603.db2.gz DSOPVPXDBZVLRH-QFWMQHCXSA-N 2 2 395.547 3.613 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(N(C)C)c(F)c3)CC2)cc1 ZINC000824903689 899870059 /nfs/dbraw/zinc/87/00/59/899870059.db2.gz JPJUNCUMVJTOJQ-UHFFFAOYSA-N 2 2 398.526 3.604 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151583240 904162029 /nfs/dbraw/zinc/16/20/29/904162029.db2.gz PMHXQXIZTLMDKX-IBGZPJMESA-N 2 2 390.531 3.932 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CN1Cc1ccccc1 ZINC001171733102 904961829 /nfs/dbraw/zinc/96/18/29/904961829.db2.gz IIXOFNKPTUAZOX-XXBNENTESA-N 2 2 379.548 3.609 20 10 GHCDLP Cc1c(O)ccc(C[NH+]2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1O ZINC001140748265 1022422420 /nfs/dbraw/zinc/42/24/20/1022422420.db2.gz IPXIOBRQVJSSKV-UHFFFAOYSA-N 2 2 393.487 3.585 20 10 GHCDLP Cc1c(O)ccc(C[NH+]2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1O ZINC001140748265 1022422427 /nfs/dbraw/zinc/42/24/27/1022422427.db2.gz IPXIOBRQVJSSKV-UHFFFAOYSA-N 2 2 393.487 3.585 20 10 GHCDLP Cc1c(O)ccc(C[N@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1O ZINC001140748265 1022422435 /nfs/dbraw/zinc/42/24/35/1022422435.db2.gz IPXIOBRQVJSSKV-UHFFFAOYSA-N 2 2 393.487 3.585 20 10 GHCDLP Cc1c(O)ccc(C[N@@H+]2CCc3c(C[NH+](C)Cc4ccco4)cncc3C2)c1O ZINC001140748265 1022422445 /nfs/dbraw/zinc/42/24/45/1022422445.db2.gz IPXIOBRQVJSSKV-UHFFFAOYSA-N 2 2 393.487 3.585 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(Cl)c1 ZINC001140923589 1022900304 /nfs/dbraw/zinc/90/03/04/1022900304.db2.gz CHSUAPIRGURQKN-DENIHFKCSA-N 2 2 391.987 3.586 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(Cl)c1 ZINC001140923589 1022900307 /nfs/dbraw/zinc/90/03/07/1022900307.db2.gz CHSUAPIRGURQKN-DENIHFKCSA-N 2 2 391.987 3.586 20 10 GHCDLP CN(C)c1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c(Cl)c1 ZINC001140923589 1022900309 /nfs/dbraw/zinc/90/03/09/1022900309.db2.gz CHSUAPIRGURQKN-DENIHFKCSA-N 2 2 391.987 3.586 20 10 GHCDLP CN(C)c1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c(Cl)c1 ZINC001140923589 1022900320 /nfs/dbraw/zinc/90/03/20/1022900320.db2.gz CHSUAPIRGURQKN-DENIHFKCSA-N 2 2 391.987 3.586 20 10 GHCDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500226 1024934255 /nfs/dbraw/zinc/93/42/55/1024934255.db2.gz UJERQMQLDNPTID-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500226 1024934259 /nfs/dbraw/zinc/93/42/59/1024934259.db2.gz UJERQMQLDNPTID-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041825 1028060894 /nfs/dbraw/zinc/06/08/94/1028060894.db2.gz FRFRKALDWXMFIG-DEOSSOPVSA-N 2 2 391.563 3.712 20 10 GHCDLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512846 1029017168 /nfs/dbraw/zinc/01/71/68/1029017168.db2.gz NINWLJMUXBSVTA-INIZCTEOSA-N 2 2 392.446 3.519 20 10 GHCDLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512846 1029017185 /nfs/dbraw/zinc/01/71/85/1029017185.db2.gz NINWLJMUXBSVTA-INIZCTEOSA-N 2 2 392.446 3.519 20 10 GHCDLP [NH3+]CC[C@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c2ccccc21 ZINC001157739450 1033747979 /nfs/dbraw/zinc/74/79/79/1033747979.db2.gz KHBPCEXPOIMSPJ-IBGZPJMESA-N 2 2 385.515 3.619 20 10 GHCDLP [NH3+]CC[C@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c2ccccc21 ZINC001157739450 1033747995 /nfs/dbraw/zinc/74/79/95/1033747995.db2.gz KHBPCEXPOIMSPJ-IBGZPJMESA-N 2 2 385.515 3.619 20 10 GHCDLP COc1cc(C[NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)c(O)cc1O ZINC001231639527 1034795793 /nfs/dbraw/zinc/79/57/93/1034795793.db2.gz SCMVFJCKPRBZFK-UHFFFAOYSA-N 2 2 390.911 3.856 20 10 GHCDLP COc1cc(C[NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)c(O)cc1O ZINC001231639527 1034795809 /nfs/dbraw/zinc/79/58/09/1034795809.db2.gz SCMVFJCKPRBZFK-UHFFFAOYSA-N 2 2 390.911 3.856 20 10 GHCDLP CCOC(=O)c1c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c2ccccc2n1C ZINC001233273683 1039041553 /nfs/dbraw/zinc/04/15/53/1039041553.db2.gz NETNOFORBAUGEQ-KRWDZBQOSA-N 2 2 393.487 3.712 20 10 GHCDLP CCOC(=O)c1c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c2ccccc2n1C ZINC001233273683 1039041572 /nfs/dbraw/zinc/04/15/72/1039041572.db2.gz NETNOFORBAUGEQ-KRWDZBQOSA-N 2 2 393.487 3.712 20 10 GHCDLP COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001233288365 1039068086 /nfs/dbraw/zinc/06/80/86/1039068086.db2.gz IIGJQPJKXSJAEA-GASCZTMLSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1cc(Cl)cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001233288365 1039068100 /nfs/dbraw/zinc/06/81/00/1039068100.db2.gz IIGJQPJKXSJAEA-GASCZTMLSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1cc(Cl)cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001233288365 1039068117 /nfs/dbraw/zinc/06/81/17/1039068117.db2.gz IIGJQPJKXSJAEA-GASCZTMLSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1cc(Cl)cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001233288365 1039068133 /nfs/dbraw/zinc/06/81/33/1039068133.db2.gz IIGJQPJKXSJAEA-GASCZTMLSA-N 2 2 378.925 3.680 20 10 GHCDLP CCc1ccc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)c(O)c1 ZINC001236791256 1041896441 /nfs/dbraw/zinc/89/64/41/1041896441.db2.gz FOSBVCKCAAPNTO-UHFFFAOYSA-N 2 2 386.293 3.964 20 10 GHCDLP CC(C)c1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(O)c1 ZINC001237048129 1042007934 /nfs/dbraw/zinc/00/79/34/1042007934.db2.gz AVRFABAGCNMDEC-UHFFFAOYSA-N 2 2 384.520 3.976 20 10 GHCDLP CC(C)c1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(O)c1 ZINC001237048129 1042007940 /nfs/dbraw/zinc/00/79/40/1042007940.db2.gz AVRFABAGCNMDEC-UHFFFAOYSA-N 2 2 384.520 3.976 20 10 GHCDLP C[N@H+](Cc1ccsc1)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237099512 1042034696 /nfs/dbraw/zinc/03/46/96/1042034696.db2.gz OKABGKMMQFRVLY-UHFFFAOYSA-N 2 2 394.382 3.894 20 10 GHCDLP C[N@@H+](Cc1ccsc1)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237099512 1042034702 /nfs/dbraw/zinc/03/47/02/1042034702.db2.gz OKABGKMMQFRVLY-UHFFFAOYSA-N 2 2 394.382 3.894 20 10 GHCDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001279676653 1047910578 /nfs/dbraw/zinc/91/05/78/1047910578.db2.gz KKWKYJSOTSMDES-IBGZPJMESA-N 2 2 386.367 3.549 20 10 GHCDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001279676653 1047910586 /nfs/dbraw/zinc/91/05/86/1047910586.db2.gz KKWKYJSOTSMDES-IBGZPJMESA-N 2 2 386.367 3.549 20 10 GHCDLP COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308205733 1049912380 /nfs/dbraw/zinc/91/23/80/1049912380.db2.gz DVKBKMQRLKWAIX-HNNXBMFYSA-N 2 2 375.463 3.576 20 10 GHCDLP COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001321229671 1056173429 /nfs/dbraw/zinc/17/34/29/1056173429.db2.gz RPMFUJBOEPEKIE-NRFANRHFSA-N 2 2 387.499 3.654 20 10 GHCDLP COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001321229671 1056173443 /nfs/dbraw/zinc/17/34/43/1056173443.db2.gz RPMFUJBOEPEKIE-NRFANRHFSA-N 2 2 387.499 3.654 20 10 GHCDLP COc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)c(OC)c1 ZINC001460652444 1069058836 /nfs/dbraw/zinc/05/88/36/1069058836.db2.gz PVEZXEOQEJYNEZ-UHFFFAOYSA-N 2 2 392.503 3.520 20 10 GHCDLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC001474640372 1074494633 /nfs/dbraw/zinc/49/46/33/1074494633.db2.gz FZDYLDNTRRRAAP-QGZVFWFLSA-N 2 2 386.293 3.962 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](CC(C)C)c3ccccn3)CC2)cc1 ZINC000764675674 859563713 /nfs/dbraw/zinc/56/37/13/859563713.db2.gz GBWGNEOBILWZGP-DEOSSOPVSA-N 2 2 396.579 3.979 20 10 GHCDLP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1N1CCCCC1 ZINC000769499147 874104290 /nfs/dbraw/zinc/10/42/90/874104290.db2.gz NDHGVSVSUAAELX-FQEVSTJZSA-N 2 2 386.540 3.893 20 10 GHCDLP O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1N1CCCCC1 ZINC000769499147 874104299 /nfs/dbraw/zinc/10/42/99/874104299.db2.gz NDHGVSVSUAAELX-FQEVSTJZSA-N 2 2 386.540 3.893 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)Cc3cccc(F)c3)CC2)cc1 ZINC001168456845 879260252 /nfs/dbraw/zinc/26/02/52/879260252.db2.gz XINDPZLQKNONMB-LJQANCHMSA-N 2 2 385.527 3.567 20 10 GHCDLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O)C2 ZINC001168245132 886621293 /nfs/dbraw/zinc/62/12/93/886621293.db2.gz UZLOXROYSFWMNW-PKKBDPGCSA-N 2 2 390.483 3.605 20 10 GHCDLP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1OC(F)F ZINC000817938525 895966241 /nfs/dbraw/zinc/96/62/41/895966241.db2.gz MEFTYCGWKMCJFY-DYVFJYSZSA-N 2 2 379.451 3.713 20 10 GHCDLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817939137 895968643 /nfs/dbraw/zinc/96/86/43/895968643.db2.gz ZLBUMNXKSHCEQA-IERDGZPVSA-N 2 2 383.540 3.633 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCc3sc(Br)cc32)cc1 ZINC000817941867 895971075 /nfs/dbraw/zinc/97/10/75/895971075.db2.gz LHQRICIRPPOYRY-GJZGRUSLSA-N 2 2 380.355 3.854 20 10 GHCDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1O ZINC000817943547 895971851 /nfs/dbraw/zinc/97/18/51/895971851.db2.gz VHAVFKQONHJHJB-ACJLOTCBSA-N 2 2 392.341 3.880 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C4CC4)cc3)CC2)cc1 ZINC001177136431 908421045 /nfs/dbraw/zinc/42/10/45/908421045.db2.gz PAGVYLHDKYHKCD-UHFFFAOYSA-N 2 2 379.548 3.875 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H]3CCCF)CC2)cc1 ZINC000800965313 920650613 /nfs/dbraw/zinc/65/06/13/920650613.db2.gz HUYBUUPPXGYDDW-KNQAVFIVSA-N 2 2 377.548 3.715 20 10 GHCDLP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000725847245 926466291 /nfs/dbraw/zinc/46/62/91/926466291.db2.gz HDXMWOVTIITVKT-XMMPIXPASA-N 2 2 388.511 3.568 20 10 GHCDLP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000725847245 926466296 /nfs/dbraw/zinc/46/62/96/926466296.db2.gz HDXMWOVTIITVKT-XMMPIXPASA-N 2 2 388.511 3.568 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000781913016 931026274 /nfs/dbraw/zinc/02/62/74/931026274.db2.gz YEHDSZVPOOKJLX-KBXCAEBGSA-N 2 2 379.342 3.912 20 10 GHCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000781913016 931026284 /nfs/dbraw/zinc/02/62/84/931026284.db2.gz YEHDSZVPOOKJLX-KBXCAEBGSA-N 2 2 379.342 3.912 20 10 GHCDLP Cc1cc(Br)c(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000781913016 931026293 /nfs/dbraw/zinc/02/62/93/931026293.db2.gz YEHDSZVPOOKJLX-KBXCAEBGSA-N 2 2 379.342 3.912 20 10 GHCDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756433913 1023646930 /nfs/dbraw/zinc/64/69/30/1023646930.db2.gz QKSJKVGUFLHJAO-INIZCTEOSA-N 2 2 389.490 3.659 20 10 GHCDLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)cc(F)c1O ZINC000756547252 1023708498 /nfs/dbraw/zinc/70/84/98/1023708498.db2.gz WVYGWOLKQHRQKD-ZIAGYGMSSA-N 2 2 393.453 3.973 20 10 GHCDLP C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000756546962 1023708955 /nfs/dbraw/zinc/70/89/55/1023708955.db2.gz WVYGWOLKQHRQKD-KGLIPLIRSA-N 2 2 393.453 3.973 20 10 GHCDLP Brc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1N1CCCCC1 ZINC000839108072 1025608629 /nfs/dbraw/zinc/60/86/29/1025608629.db2.gz XQNXRUDSDNZVQS-OAHLLOKOSA-N 2 2 389.341 3.810 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(OCc3ccncc3)cc2)cc1 ZINC000841042435 1028063892 /nfs/dbraw/zinc/06/38/92/1028063892.db2.gz JOSNTALUHGLYKB-QHCPKHFHSA-N 2 2 376.504 3.516 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccccc2OCc2ccccn2)cc1 ZINC000841042483 1028064067 /nfs/dbraw/zinc/06/40/67/1028064067.db2.gz KKQWQZHKHHOHFB-JOCHJYFZSA-N 2 2 376.504 3.516 20 10 GHCDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000841087559 1028111493 /nfs/dbraw/zinc/11/14/93/1028111493.db2.gz RJENIPXGALERGS-MRXNPFEDSA-N 2 2 379.298 3.515 20 10 GHCDLP Cc1cccc(C[N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)c1O ZINC001231593259 1034747960 /nfs/dbraw/zinc/74/79/60/1034747960.db2.gz PAZPJMSIRIFSSC-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(C[N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)c1O ZINC001231593259 1034747973 /nfs/dbraw/zinc/74/79/73/1034747973.db2.gz PAZPJMSIRIFSSC-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(C[NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1O ZINC001231593259 1034747985 /nfs/dbraw/zinc/74/79/85/1034747985.db2.gz PAZPJMSIRIFSSC-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1cccc(C[NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1O ZINC001231593259 1034747996 /nfs/dbraw/zinc/74/79/96/1034747996.db2.gz PAZPJMSIRIFSSC-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246520853 1037453990 /nfs/dbraw/zinc/45/39/90/1037453990.db2.gz KXOGRRHZHZQMLB-NFBKMPQASA-N 2 2 383.511 3.758 20 10 GHCDLP Oc1c(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cccc1OC(F)(F)F ZINC001233760804 1039595519 /nfs/dbraw/zinc/59/55/19/1039595519.db2.gz KHWQDMCYDVQRQU-UHFFFAOYSA-N 2 2 376.394 3.689 20 10 GHCDLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(-c4ccccc4)c3O)CC2)c1 ZINC001234996324 1040490009 /nfs/dbraw/zinc/49/00/09/1040490009.db2.gz AOTKFCSTVZHHQG-UHFFFAOYSA-N 2 2 375.472 3.785 20 10 GHCDLP Oc1c(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cccc1-c1ccccc1 ZINC001235002309 1040494469 /nfs/dbraw/zinc/49/44/69/1040494469.db2.gz OYBQOEWRJQGVPS-UHFFFAOYSA-N 2 2 386.455 3.850 20 10 GHCDLP Oc1c(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cccc1-c1ccccc1 ZINC001235002309 1040494475 /nfs/dbraw/zinc/49/44/75/1040494475.db2.gz OYBQOEWRJQGVPS-UHFFFAOYSA-N 2 2 386.455 3.850 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001255856363 1041349910 /nfs/dbraw/zinc/34/99/10/1041349910.db2.gz KEAFIGUEYSHDDC-LJQANCHMSA-N 2 2 385.527 3.567 20 10 GHCDLP COc1cc(O)c(C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)cc1OC ZINC001236757982 1041876568 /nfs/dbraw/zinc/87/65/68/1041876568.db2.gz VNPGCELIISULKC-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP COc1cc(O)c(C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)cc1OC ZINC001236757982 1041876573 /nfs/dbraw/zinc/87/65/73/1041876573.db2.gz VNPGCELIISULKC-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP Cc1ccc([C@@]2(C)C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)CCO2)cc1 ZINC001236938285 1041964892 /nfs/dbraw/zinc/96/48/92/1041964892.db2.gz LEDPUTSBJJCDHU-XMMPIXPASA-N 2 2 397.538 3.634 20 10 GHCDLP Cc1ccc([C@@]2(C)C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)CCO2)cc1 ZINC001236938285 1041964896 /nfs/dbraw/zinc/96/48/96/1041964896.db2.gz LEDPUTSBJJCDHU-XMMPIXPASA-N 2 2 397.538 3.634 20 10 GHCDLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc(F)cc(F)c3O)cc2)C[C@H](C)O1 ZINC001308196169 1049908437 /nfs/dbraw/zinc/90/84/37/1049908437.db2.gz DBDGLAGWDSUAIL-GJZGRUSLSA-N 2 2 376.447 3.569 20 10 GHCDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c2c1c(F)ccc2O ZINC001320125024 1055665031 /nfs/dbraw/zinc/66/50/31/1055665031.db2.gz PPIYTKDIRQXCMH-OXQOHEQNSA-N 2 2 383.511 3.617 20 10 GHCDLP COc1cc(Br)cc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1O ZINC000848548665 1057171314 /nfs/dbraw/zinc/17/13/14/1057171314.db2.gz DVAMEPJCWOJHRT-GRTSSRMGSA-N 2 2 383.330 3.831 20 10 GHCDLP C[NH+]1CCN(c2ccc(CNc3cc4c5c(c3)CCC[NH+]5CCC4)cc2)CC1 ZINC001167434707 840187135 /nfs/dbraw/zinc/18/71/35/840187135.db2.gz TVRJXMYARACQHZ-UHFFFAOYSA-N 2 2 376.548 3.749 20 10 GHCDLP Cc1cc(Br)cc(C[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)c1O ZINC000896722597 861507907 /nfs/dbraw/zinc/50/79/07/861507907.db2.gz ZGEAXHKLRHBIOB-KRWDZBQOSA-N 2 2 378.314 3.641 20 10 GHCDLP Cc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc(C2CC2)[nH+]1 ZINC000768527368 873361000 /nfs/dbraw/zinc/36/10/00/873361000.db2.gz HRUZCEOCPZIJDZ-UHFFFAOYSA-N 2 2 377.536 3.807 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccccc3N(C)C)CC2)cc1 ZINC000769676335 874227828 /nfs/dbraw/zinc/22/78/28/874227828.db2.gz AZLVVQBVRAGEOG-FQEVSTJZSA-N 2 2 396.579 3.624 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@@H](OC)c3ccccc3)CC2)cc1 ZINC000786784376 876936267 /nfs/dbraw/zinc/93/62/67/876936267.db2.gz UEOPUCYJLBMDDR-HYBUGGRVSA-N 2 2 397.563 3.573 20 10 GHCDLP CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564663 912344533 /nfs/dbraw/zinc/34/45/33/912344533.db2.gz ADMPMFZEXHRVEC-UHFFFAOYSA-N 2 2 394.563 3.657 20 10 GHCDLP CC[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564663 912344555 /nfs/dbraw/zinc/34/45/55/912344555.db2.gz ADMPMFZEXHRVEC-UHFFFAOYSA-N 2 2 394.563 3.657 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3c3nnc(C4CCC4)o3)cc2)CC1 ZINC000809726217 887753086 /nfs/dbraw/zinc/75/30/86/887753086.db2.gz FXYQUCCNQOCSEO-NRFANRHFSA-N 2 2 395.551 3.816 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3c3nnc(C4CCC4)o3)cc2)CC1 ZINC000809726217 887753099 /nfs/dbraw/zinc/75/30/99/887753099.db2.gz FXYQUCCNQOCSEO-NRFANRHFSA-N 2 2 395.551 3.816 20 10 GHCDLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4ccccc4c3O)cc2)CC1 ZINC000816535549 894905954 /nfs/dbraw/zinc/90/59/54/894905954.db2.gz SAYHCJFSOSUVII-UHFFFAOYSA-N 2 2 389.543 3.973 20 10 GHCDLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883387224 897550445 /nfs/dbraw/zinc/55/04/45/897550445.db2.gz UFAOXDLHWHZDBQ-PGRDOPGGSA-N 2 2 394.494 3.951 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CC(C)(C)OC(C)(C)C3)CC2)cc1 ZINC001172643930 905707354 /nfs/dbraw/zinc/70/73/54/905707354.db2.gz GFZHAMCFGLYIMU-UHFFFAOYSA-N 2 2 389.584 3.533 20 10 GHCDLP COc1cc(Cl)cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1O ZINC000373490106 926188116 /nfs/dbraw/zinc/18/81/16/926188116.db2.gz OFGLRCTZRGAXHH-UHFFFAOYSA-N 2 2 392.849 3.949 20 10 GHCDLP CCSc1cc[nH+]c(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001156263311 1032948869 /nfs/dbraw/zinc/94/88/69/1032948869.db2.gz SDGNIHBOPUUTJA-UHFFFAOYSA-N 2 2 386.565 3.826 20 10 GHCDLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c(O)cccc3Cl)CC[C@@H]21 ZINC001140340682 1021449073 /nfs/dbraw/zinc/44/90/73/1021449073.db2.gz ZWYJWYBVQQBWED-UWVAXJGDSA-N 2 2 388.943 3.616 20 10 GHCDLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3c(O)cccc3Cl)CC[C@@H]21 ZINC001140340682 1021449082 /nfs/dbraw/zinc/44/90/82/1021449082.db2.gz ZWYJWYBVQQBWED-UWVAXJGDSA-N 2 2 388.943 3.616 20 10 GHCDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CC[C@@H]21 ZINC001140340682 1021449093 /nfs/dbraw/zinc/44/90/93/1021449093.db2.gz ZWYJWYBVQQBWED-UWVAXJGDSA-N 2 2 388.943 3.616 20 10 GHCDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CC[C@@H]21 ZINC001140340682 1021449105 /nfs/dbraw/zinc/44/91/05/1021449105.db2.gz ZWYJWYBVQQBWED-UWVAXJGDSA-N 2 2 388.943 3.616 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4cccc(O)c43)CC2)cc1 ZINC000834886439 1021615550 /nfs/dbraw/zinc/61/55/50/1021615550.db2.gz LDLOXDBUPXYANY-OAQYLSRUSA-N 2 2 379.504 3.592 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000756642612 1023751086 /nfs/dbraw/zinc/75/10/86/1023751086.db2.gz OOVQZXBBCZWYAT-ABSDTBQOSA-N 2 2 382.504 3.883 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000756642612 1023751092 /nfs/dbraw/zinc/75/10/92/1023751092.db2.gz OOVQZXBBCZWYAT-ABSDTBQOSA-N 2 2 382.504 3.883 20 10 GHCDLP C[NH+]1CCC([N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C2CCCC2)CC1 ZINC001138340740 1024700452 /nfs/dbraw/zinc/70/04/52/1024700452.db2.gz AUKLPAXPAWVWHG-UHFFFAOYSA-N 2 2 383.580 3.930 20 10 GHCDLP C[NH+]1CCC([N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C2CCCC2)CC1 ZINC001138340740 1024700465 /nfs/dbraw/zinc/70/04/65/1024700465.db2.gz AUKLPAXPAWVWHG-UHFFFAOYSA-N 2 2 383.580 3.930 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc(OCc3ccccn3)c2)cc1 ZINC000841041556 1028062139 /nfs/dbraw/zinc/06/21/39/1028062139.db2.gz DNRRVECOLPGICW-HSZRJFAPSA-N 2 2 376.504 3.516 20 10 GHCDLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512847 1029016453 /nfs/dbraw/zinc/01/64/53/1029016453.db2.gz NINWLJMUXBSVTA-MRXNPFEDSA-N 2 2 392.446 3.519 20 10 GHCDLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512847 1029016469 /nfs/dbraw/zinc/01/64/69/1029016469.db2.gz NINWLJMUXBSVTA-MRXNPFEDSA-N 2 2 392.446 3.519 20 10 GHCDLP COCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC[NH+](C)CC1 ZINC001231468161 1034612267 /nfs/dbraw/zinc/61/22/67/1034612267.db2.gz DFOKYBIZACYMFF-UHFFFAOYSA-N 2 2 384.520 3.514 20 10 GHCDLP COCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC[NH+](C)CC1 ZINC001231468161 1034612272 /nfs/dbraw/zinc/61/22/72/1034612272.db2.gz DFOKYBIZACYMFF-UHFFFAOYSA-N 2 2 384.520 3.514 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)Cc3ccc(C)cc3)CC2)cc1 ZINC001255774746 1041288028 /nfs/dbraw/zinc/28/80/28/1041288028.db2.gz LCGSKJVTYJPUSW-NRFANRHFSA-N 2 2 381.564 3.737 20 10 GHCDLP COCCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235808205 1041318008 /nfs/dbraw/zinc/31/80/08/1041318008.db2.gz YQAGLGFCJSDSAF-NRFANRHFSA-N 2 2 384.520 3.562 20 10 GHCDLP COCCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235808205 1041318017 /nfs/dbraw/zinc/31/80/17/1041318017.db2.gz YQAGLGFCJSDSAF-NRFANRHFSA-N 2 2 384.520 3.562 20 10 GHCDLP COCCC[N@H+](Cc1cc(OCc2ccccc2)ccc1O)[C@H]1CCC[NH2+]C1 ZINC001235811138 1041324205 /nfs/dbraw/zinc/32/42/05/1041324205.db2.gz SNIHCHHEGNEVLJ-NRFANRHFSA-N 2 2 384.520 3.562 20 10 GHCDLP COCCC[N@@H+](Cc1cc(OCc2ccccc2)ccc1O)[C@H]1CCC[NH2+]C1 ZINC001235811138 1041324211 /nfs/dbraw/zinc/32/42/11/1041324211.db2.gz SNIHCHHEGNEVLJ-NRFANRHFSA-N 2 2 384.520 3.562 20 10 GHCDLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136276 1042058191 /nfs/dbraw/zinc/05/81/91/1042058191.db2.gz PYCDVRROTPJNBI-IBGZPJMESA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136276 1042058196 /nfs/dbraw/zinc/05/81/96/1042058196.db2.gz PYCDVRROTPJNBI-IBGZPJMESA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136276 1042058200 /nfs/dbraw/zinc/05/82/00/1042058200.db2.gz PYCDVRROTPJNBI-IBGZPJMESA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136276 1042058205 /nfs/dbraw/zinc/05/82/05/1042058205.db2.gz PYCDVRROTPJNBI-IBGZPJMESA-N 2 2 386.458 3.734 20 10 GHCDLP Oc1cc2c(cc1C[N@@H+]1CCc3cc(Cl)cc(Cl)c3C1)C[NH2+]CCO2 ZINC001237265988 1042114144 /nfs/dbraw/zinc/11/41/44/1042114144.db2.gz SUBBTNCPQCJCKD-UHFFFAOYSA-N 2 2 379.287 3.739 20 10 GHCDLP Oc1cc2c(cc1C[N@H+]1CCc3cc(Cl)cc(Cl)c3C1)C[NH2+]CCO2 ZINC001237265988 1042114145 /nfs/dbraw/zinc/11/41/45/1042114145.db2.gz SUBBTNCPQCJCKD-UHFFFAOYSA-N 2 2 379.287 3.739 20 10 GHCDLP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000162014406 835560750 /nfs/dbraw/zinc/56/07/50/835560750.db2.gz JWESIVBEWHQZFW-HXUWFJFHSA-N 2 2 397.563 3.705 20 10 GHCDLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765141019 859809577 /nfs/dbraw/zinc/80/95/77/859809577.db2.gz IFGIYAMJPAFXNF-INIZCTEOSA-N 2 2 377.960 3.702 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccccc3N(C)C)CC2)cc1 ZINC000769676339 874228096 /nfs/dbraw/zinc/22/80/96/874228096.db2.gz AZLVVQBVRAGEOG-HXUWFJFHSA-N 2 2 396.579 3.624 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)[C@H](OC)c3ccccc3)CC2)cc1 ZINC000786784377 876936028 /nfs/dbraw/zinc/93/60/28/876936028.db2.gz UEOPUCYJLBMDDR-RDPSFJRHSA-N 2 2 397.563 3.573 20 10 GHCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1O ZINC000815582757 894021401 /nfs/dbraw/zinc/02/14/01/894021401.db2.gz OUJTXZXQEDGMFH-QRWLVFNGSA-N 2 2 394.437 3.699 20 10 GHCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1O ZINC000815582757 894021421 /nfs/dbraw/zinc/02/14/21/894021421.db2.gz OUJTXZXQEDGMFH-QRWLVFNGSA-N 2 2 394.437 3.699 20 10 GHCDLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Br ZINC000817937959 895966879 /nfs/dbraw/zinc/96/68/79/895966879.db2.gz APSCIENUYGTPBS-ACJLOTCBSA-N 2 2 392.341 3.874 20 10 GHCDLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000818614690 896218144 /nfs/dbraw/zinc/21/81/44/896218144.db2.gz DSOPVPXDBZVLRH-NWVWQQAFSA-N 2 2 395.547 3.613 20 10 GHCDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000824904154 899869847 /nfs/dbraw/zinc/86/98/47/899869847.db2.gz VATWUQQKJBLYOX-UHFFFAOYSA-N 2 2 387.911 3.758 20 10 GHCDLP CCCOc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(O)c1 ZINC000092645315 901504198 /nfs/dbraw/zinc/50/41/98/901504198.db2.gz WYQJQIZTSGREHH-UHFFFAOYSA-N 2 2 383.536 3.715 20 10 GHCDLP CCCOc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(O)c1 ZINC000092645315 901504206 /nfs/dbraw/zinc/50/42/06/901504206.db2.gz WYQJQIZTSGREHH-UHFFFAOYSA-N 2 2 383.536 3.715 20 10 GHCDLP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Br)ccc1O ZINC000775503950 918459161 /nfs/dbraw/zinc/45/91/61/918459161.db2.gz QUUYGQLRMPLZBX-FUHWJXTLSA-N 2 2 397.357 3.839 20 10 GHCDLP C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903017588 922713430 /nfs/dbraw/zinc/71/34/30/922713430.db2.gz WCHVBODPMSUYPS-INIZCTEOSA-N 2 2 398.457 3.838 20 10 GHCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(C(F)(F)F)c1O ZINC000798181304 932554636 /nfs/dbraw/zinc/55/46/36/932554636.db2.gz IHZZGTMVTXRPQP-VHSSKADRSA-N 2 2 386.458 3.830 20 10 GHCDLP COc1cc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc(O)c1O ZINC001204348897 1032786488 /nfs/dbraw/zinc/78/64/88/1032786488.db2.gz KPBUHEKJDMOJLT-JZJXAQOMSA-N 2 2 384.520 3.501 20 10 GHCDLP COc1cc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc(O)c1O ZINC001204348897 1032786496 /nfs/dbraw/zinc/78/64/96/1032786496.db2.gz KPBUHEKJDMOJLT-JZJXAQOMSA-N 2 2 384.520 3.501 20 10 GHCDLP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc(O)c1O ZINC001204348897 1032786506 /nfs/dbraw/zinc/78/65/06/1032786506.db2.gz KPBUHEKJDMOJLT-JZJXAQOMSA-N 2 2 384.520 3.501 20 10 GHCDLP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc(O)c1O ZINC001204348897 1032786517 /nfs/dbraw/zinc/78/65/17/1032786517.db2.gz KPBUHEKJDMOJLT-JZJXAQOMSA-N 2 2 384.520 3.501 20 10 GHCDLP Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)c1 ZINC001140620470 1022093043 /nfs/dbraw/zinc/09/30/43/1022093043.db2.gz PONJKBKZQLJDMO-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)c1 ZINC001140620470 1022093052 /nfs/dbraw/zinc/09/30/52/1022093052.db2.gz PONJKBKZQLJDMO-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(O)c(C[NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001140620470 1022093067 /nfs/dbraw/zinc/09/30/67/1022093067.db2.gz PONJKBKZQLJDMO-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(O)c(C[NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001140620470 1022093080 /nfs/dbraw/zinc/09/30/80/1022093080.db2.gz PONJKBKZQLJDMO-NRFANRHFSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)c(O)c1 ZINC001140950424 1022973179 /nfs/dbraw/zinc/97/31/79/1022973179.db2.gz SRHWFGSCCYOGTQ-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)c(O)c1 ZINC001140950424 1022973180 /nfs/dbraw/zinc/97/31/80/1022973180.db2.gz SRHWFGSCCYOGTQ-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(C[NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(O)c1 ZINC001140950424 1022973186 /nfs/dbraw/zinc/97/31/86/1022973186.db2.gz SRHWFGSCCYOGTQ-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP Cc1ccc(C[NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(O)c1 ZINC001140950424 1022973188 /nfs/dbraw/zinc/97/31/88/1022973188.db2.gz SRHWFGSCCYOGTQ-OAQYLSRUSA-N 2 2 387.474 3.829 20 10 GHCDLP C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000840761099 1027804486 /nfs/dbraw/zinc/80/44/86/1027804486.db2.gz QFQWJPVOLGJNRD-INIZCTEOSA-N 2 2 398.457 3.838 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(OCc3ccncc3)cc2)cc1 ZINC000841042434 1028062506 /nfs/dbraw/zinc/06/25/06/1028062506.db2.gz JOSNTALUHGLYKB-HSZRJFAPSA-N 2 2 376.504 3.516 20 10 GHCDLP Oc1cc(F)c(F)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001142521112 1029023457 /nfs/dbraw/zinc/02/34/57/1029023457.db2.gz XZMGAQHUMHVIJJ-UHFFFAOYSA-N 2 2 388.458 3.537 20 10 GHCDLP Oc1cc(F)c(F)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001142521112 1029023477 /nfs/dbraw/zinc/02/34/77/1029023477.db2.gz XZMGAQHUMHVIJJ-UHFFFAOYSA-N 2 2 388.458 3.537 20 10 GHCDLP OC1CCN(c2ccc(C[NH2+]CC[NH+]3CCC4(CCCCC4)CC3)cc2)CC1 ZINC001461480642 1069569574 /nfs/dbraw/zinc/56/95/74/1069569574.db2.gz YIUDWTUSYFGVGC-UHFFFAOYSA-N 2 2 385.596 3.784 20 10 GHCDLP Oc1ccc(F)c(Cl)c1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235649305 1041093366 /nfs/dbraw/zinc/09/33/66/1041093366.db2.gz NMKODHMYRAGMSP-UHFFFAOYSA-N 2 2 392.906 3.819 20 10 GHCDLP Oc1ccc(F)c(Cl)c1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235649305 1041093397 /nfs/dbraw/zinc/09/33/97/1041093397.db2.gz NMKODHMYRAGMSP-UHFFFAOYSA-N 2 2 392.906 3.819 20 10 GHCDLP COC(=O)c1cccc(C[N@H+](Cc2ccc(Cl)cc2O)C2CC[NH2+]CC2)c1 ZINC001236464927 1041727054 /nfs/dbraw/zinc/72/70/54/1041727054.db2.gz NJSCHZZXJBXXML-UHFFFAOYSA-N 2 2 388.895 3.586 20 10 GHCDLP COC(=O)c1cccc(C[N@@H+](Cc2ccc(Cl)cc2O)C2CC[NH2+]CC2)c1 ZINC001236464927 1041727058 /nfs/dbraw/zinc/72/70/58/1041727058.db2.gz NJSCHZZXJBXXML-UHFFFAOYSA-N 2 2 388.895 3.586 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](F)CC3)cc2Br)CC1 ZINC001237088560 1042030652 /nfs/dbraw/zinc/03/06/52/1042030652.db2.gz BHRIFQQEUZQEFA-INIZCTEOSA-N 2 2 384.337 3.525 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](F)CC3)cc2Br)CC1 ZINC001237088560 1042030657 /nfs/dbraw/zinc/03/06/57/1042030657.db2.gz BHRIFQQEUZQEFA-INIZCTEOSA-N 2 2 384.337 3.525 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(F)CC3)cc2Br)CC1 ZINC001237091014 1042031856 /nfs/dbraw/zinc/03/18/56/1042031856.db2.gz VRZDJDDGOVPHEY-IBGZPJMESA-N 2 2 398.364 3.915 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(F)CC3)cc2Br)CC1 ZINC001237091014 1042031859 /nfs/dbraw/zinc/03/18/59/1042031859.db2.gz VRZDJDDGOVPHEY-IBGZPJMESA-N 2 2 398.364 3.915 20 10 GHCDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001279676654 1047910614 /nfs/dbraw/zinc/91/06/14/1047910614.db2.gz KKWKYJSOTSMDES-LJQANCHMSA-N 2 2 386.367 3.549 20 10 GHCDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001279676654 1047910619 /nfs/dbraw/zinc/91/06/19/1047910619.db2.gz KKWKYJSOTSMDES-LJQANCHMSA-N 2 2 386.367 3.549 20 10 GHCDLP COc1ccc(N2CC[NH+](CCNC(=[NH2+])Nc3cccc(C(C)C)c3)CC2)cc1 ZINC000849067157 1057578290 /nfs/dbraw/zinc/57/82/90/1057578290.db2.gz JZGPTBIPNFLGMS-UHFFFAOYSA-N 2 2 395.551 3.577 20 10 GHCDLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(O)c1OC ZINC000893183055 838689735 /nfs/dbraw/zinc/68/97/35/838689735.db2.gz MPPNVISWPBCEMM-IBGZPJMESA-N 2 2 381.476 3.754 20 10 GHCDLP CC[N@@H+](Cc1ccc(OC)c(OC)c1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000892089782 845745532 /nfs/dbraw/zinc/74/55/32/845745532.db2.gz VJFMJECKPNWBKY-UHFFFAOYSA-N 2 2 385.508 3.543 20 10 GHCDLP CC[N@H+](Cc1ccc(OC)c(OC)c1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000892089782 845745537 /nfs/dbraw/zinc/74/55/37/845745537.db2.gz VJFMJECKPNWBKY-UHFFFAOYSA-N 2 2 385.508 3.543 20 10 GHCDLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2c1c(F)ccc2O ZINC000760020252 851998827 /nfs/dbraw/zinc/99/88/27/851998827.db2.gz UQRDALOKFFOEIN-IMFGXOCKSA-N 2 2 384.495 3.960 20 10 GHCDLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2c1c(F)ccc2O ZINC000760020252 851998832 /nfs/dbraw/zinc/99/88/32/851998832.db2.gz UQRDALOKFFOEIN-IMFGXOCKSA-N 2 2 384.495 3.960 20 10 GHCDLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856551817 881372326 /nfs/dbraw/zinc/37/23/26/881372326.db2.gz AHLUDXAGWQUXHN-SFHVURJKSA-N 2 2 375.900 3.546 20 10 GHCDLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856551817 881372338 /nfs/dbraw/zinc/37/23/38/881372338.db2.gz AHLUDXAGWQUXHN-SFHVURJKSA-N 2 2 375.900 3.546 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856551817 881372358 /nfs/dbraw/zinc/37/23/58/881372358.db2.gz AHLUDXAGWQUXHN-SFHVURJKSA-N 2 2 375.900 3.546 20 10 GHCDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)ccn1 ZINC000856551817 881372376 /nfs/dbraw/zinc/37/23/76/881372376.db2.gz AHLUDXAGWQUXHN-SFHVURJKSA-N 2 2 375.900 3.546 20 10 GHCDLP COc1ccc(O)c([C@@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000185508947 860859087 /nfs/dbraw/zinc/85/90/87/860859087.db2.gz BNXHDFMTMMLVRU-QZTJIDSGSA-N 2 2 384.520 3.951 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000767345663 872437911 /nfs/dbraw/zinc/43/79/11/872437911.db2.gz CAVAWEBBCDHGQO-URXFXBBRSA-N 2 2 379.548 3.601 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000767345665 872438332 /nfs/dbraw/zinc/43/83/32/872438332.db2.gz CAVAWEBBCDHGQO-ZJSXRUAMSA-N 2 2 379.548 3.601 20 10 GHCDLP C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)cc(F)c3O)[nH+]c2)CC1 ZINC000776251043 876049895 /nfs/dbraw/zinc/04/98/95/876049895.db2.gz OUVLVRDNQHHVPB-UHFFFAOYSA-N 2 2 378.879 3.722 20 10 GHCDLP COc1ccc(N2CCC([NH2+][C@@H]3C[NH2+]CC[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000854221850 879638820 /nfs/dbraw/zinc/63/88/20/879638820.db2.gz BGJYLOYBRKJXOZ-DHIUTWEWSA-N 2 2 383.511 3.538 20 10 GHCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646214 887259346 /nfs/dbraw/zinc/25/93/46/887259346.db2.gz QRAUWTLZPNPMLS-TZMCWYRMSA-N 2 2 383.380 3.731 20 10 GHCDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000863646214 887259364 /nfs/dbraw/zinc/25/93/64/887259364.db2.gz QRAUWTLZPNPMLS-TZMCWYRMSA-N 2 2 383.380 3.731 20 10 GHCDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000809763376 887804768 /nfs/dbraw/zinc/80/47/68/887804768.db2.gz AZWFMFBUBSOKCF-UHFFFAOYSA-N 3 2 392.591 3.535 20 10 GHCDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000809763376 887804776 /nfs/dbraw/zinc/80/47/76/887804776.db2.gz AZWFMFBUBSOKCF-UHFFFAOYSA-N 3 2 392.591 3.535 20 10 GHCDLP Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c(O)c1 ZINC000815566003 894003061 /nfs/dbraw/zinc/00/30/61/894003061.db2.gz GHLHNOBSUWMZPW-IBGZPJMESA-N 2 2 384.520 3.571 20 10 GHCDLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4ccccc4c3O)cc2)CC1 ZINC000816535197 894904486 /nfs/dbraw/zinc/90/44/86/894904486.db2.gz JDOGXVVZGPOFHS-UHFFFAOYSA-N 2 2 375.516 3.583 20 10 GHCDLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192747223 908820148 /nfs/dbraw/zinc/82/01/48/908820148.db2.gz FHXUUWFOCJJEFC-ZDUSSCGKSA-N 2 2 395.334 3.697 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCNc4ccccc43)CC2)cc1 ZINC000774112067 911401337 /nfs/dbraw/zinc/40/13/37/911401337.db2.gz NOKFYBFLOOMLCU-DEOSSOPVSA-N 2 2 394.563 3.744 20 10 GHCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)c(Cl)cc1O ZINC000774198962 911479751 /nfs/dbraw/zinc/47/97/51/911479751.db2.gz QPOVGFSARACAJV-VLIAUNLRSA-N 2 2 395.330 3.987 20 10 GHCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c(Cl)cc1O ZINC000774198962 911479758 /nfs/dbraw/zinc/47/97/58/911479758.db2.gz QPOVGFSARACAJV-VLIAUNLRSA-N 2 2 395.330 3.987 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H]3CCCF)CC2)cc1 ZINC000800965314 920650666 /nfs/dbraw/zinc/65/06/66/920650666.db2.gz HUYBUUPPXGYDDW-SIKLNZKXSA-N 2 2 377.548 3.715 20 10 GHCDLP CC[C@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1ccc(F)cc1O ZINC000796698226 932034106 /nfs/dbraw/zinc/03/41/06/932034106.db2.gz XNYBBCIQZCLANQ-QFIPXVFZSA-N 2 2 385.527 3.910 20 10 GHCDLP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccc(F)cc1O ZINC000796698226 932034113 /nfs/dbraw/zinc/03/41/13/932034113.db2.gz XNYBBCIQZCLANQ-QFIPXVFZSA-N 2 2 385.527 3.910 20 10 GHCDLP Cc1cc(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000828006551 935564821 /nfs/dbraw/zinc/56/48/21/935564821.db2.gz VKVITQUISONGOZ-UHFFFAOYSA-N 2 2 397.910 3.928 20 10 GHCDLP Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001140661603 1022198209 /nfs/dbraw/zinc/19/82/09/1022198209.db2.gz LBXKHUDWOMHFBH-HXUWFJFHSA-N 2 2 375.532 3.503 20 10 GHCDLP Fc1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001140661603 1022198226 /nfs/dbraw/zinc/19/82/26/1022198226.db2.gz LBXKHUDWOMHFBH-HXUWFJFHSA-N 2 2 375.532 3.503 20 10 GHCDLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cc(F)cc(F)c3O)cc2)CC1 ZINC000756435282 1023647698 /nfs/dbraw/zinc/64/76/98/1023647698.db2.gz YSOMWNYDJLRUOS-MRXNPFEDSA-N 2 2 389.490 3.659 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000756654884 1023756425 /nfs/dbraw/zinc/75/64/25/1023756425.db2.gz MORQABKWOLJDRZ-KURKYZTESA-N 2 2 396.531 3.986 20 10 GHCDLP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc(F)c4O)CC3)C2)cc1 ZINC001138127205 1024173948 /nfs/dbraw/zinc/17/39/48/1024173948.db2.gz SIFMIPJIVVNXNA-UHFFFAOYSA-N 2 2 384.495 3.707 20 10 GHCDLP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(F)c4O)CC3)C2)cc1 ZINC001138127205 1024173952 /nfs/dbraw/zinc/17/39/52/1024173952.db2.gz SIFMIPJIVVNXNA-UHFFFAOYSA-N 2 2 384.495 3.707 20 10 GHCDLP COc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1Cl ZINC001232265761 1037986177 /nfs/dbraw/zinc/98/61/77/1037986177.db2.gz AWHBAVTWNROACU-GASCZTMLSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1cc(O)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1Cl ZINC001232265761 1037986181 /nfs/dbraw/zinc/98/61/81/1037986181.db2.gz AWHBAVTWNROACU-GASCZTMLSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1Cl ZINC001232265761 1037986183 /nfs/dbraw/zinc/98/61/83/1037986183.db2.gz AWHBAVTWNROACU-GASCZTMLSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1cc(O)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1Cl ZINC001232265761 1037986190 /nfs/dbraw/zinc/98/61/90/1037986190.db2.gz AWHBAVTWNROACU-GASCZTMLSA-N 2 2 378.925 3.680 20 10 GHCDLP COc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(O)c1Cl ZINC001235385273 1040905496 /nfs/dbraw/zinc/90/54/96/1040905496.db2.gz UNLSIXZGKQIVPC-PGRDOPGGSA-N 2 2 386.923 3.807 20 10 GHCDLP COc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(O)c1Cl ZINC001235385273 1040905500 /nfs/dbraw/zinc/90/55/00/1040905500.db2.gz UNLSIXZGKQIVPC-PGRDOPGGSA-N 2 2 386.923 3.807 20 10 GHCDLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2cc4ccccc4cc2O)CC3)n1 ZINC001236832114 1041921340 /nfs/dbraw/zinc/92/13/40/1041921340.db2.gz KKDSBBYBJOMTFX-UHFFFAOYSA-N 2 2 390.531 3.910 20 10 GHCDLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2cc4ccccc4cc2O)CC3)n1 ZINC001236832114 1041921343 /nfs/dbraw/zinc/92/13/43/1041921343.db2.gz KKDSBBYBJOMTFX-UHFFFAOYSA-N 2 2 390.531 3.910 20 10 GHCDLP Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001237060784 1042015497 /nfs/dbraw/zinc/01/54/97/1042015497.db2.gz YKJKDAZZFGJSLW-UHFFFAOYSA-N 2 2 390.421 3.732 20 10 GHCDLP Cc1cc(F)cc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)c1O ZINC001238069438 1042480938 /nfs/dbraw/zinc/48/09/38/1042480938.db2.gz ILJYTICJACMDMW-UHFFFAOYSA-N 2 2 390.256 3.849 20 10 GHCDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256532742 1043467033 /nfs/dbraw/zinc/46/70/33/1043467033.db2.gz KCFDPNGCMJTFCP-GBXCKJPGSA-N 3 2 393.575 3.999 20 10 GHCDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256532742 1043467037 /nfs/dbraw/zinc/46/70/37/1043467037.db2.gz KCFDPNGCMJTFCP-GBXCKJPGSA-N 3 2 393.575 3.999 20 10 GHCDLP CC(C)(C)[NH+]1CCC([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001256577909 1043549821 /nfs/dbraw/zinc/54/98/21/1043549821.db2.gz XYQYBNYQMPYQBN-UHFFFAOYSA-N 2 2 385.474 3.970 20 10 GHCDLP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001320244288 1055721005 /nfs/dbraw/zinc/72/10/05/1055721005.db2.gz CWIXYXCXSYHGOB-WIYYLYMNSA-N 2 2 396.531 3.750 20 10 GHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c1O ZINC001323692902 1057001306 /nfs/dbraw/zinc/00/13/06/1057001306.db2.gz KOCIHEBSPIREEV-KRWDZBQOSA-N 2 2 387.955 3.952 20 10 GHCDLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765141028 859809342 /nfs/dbraw/zinc/80/93/42/859809342.db2.gz IFGIYAMJPAFXNF-MRXNPFEDSA-N 2 2 377.960 3.702 20 10 GHCDLP CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775731094 873270472 /nfs/dbraw/zinc/27/04/72/873270472.db2.gz HWWPCYGWYOBXDT-HSZRJFAPSA-N 2 2 395.547 3.565 20 10 GHCDLP CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775731094 873270479 /nfs/dbraw/zinc/27/04/79/873270479.db2.gz HWWPCYGWYOBXDT-HSZRJFAPSA-N 2 2 395.547 3.565 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000771841897 875481647 /nfs/dbraw/zinc/48/16/47/875481647.db2.gz GOWQNKKQNGEZAD-QGZVFWFLSA-N 2 2 383.540 3.720 20 10 GHCDLP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850565611 877032295 /nfs/dbraw/zinc/03/22/95/877032295.db2.gz GWPIKVDIVXRHNO-SFHVURJKSA-N 2 2 376.504 3.684 20 10 GHCDLP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(Cl)c1O ZINC000806144658 884403574 /nfs/dbraw/zinc/40/35/74/884403574.db2.gz SUXFNULHONJXML-GOSISDBHSA-N 2 2 395.975 3.713 20 10 GHCDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862349877 886308461 /nfs/dbraw/zinc/30/84/61/886308461.db2.gz VYKNUTOVWJMRPM-UHFFFAOYSA-N 2 2 377.282 3.902 20 10 GHCDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000762648107 886615112 /nfs/dbraw/zinc/61/51/12/886615112.db2.gz GYRAIGCHOWSUOQ-RHSMWYFYSA-N 2 2 385.346 3.696 20 10 GHCDLP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000762648107 886615123 /nfs/dbraw/zinc/61/51/23/886615123.db2.gz GYRAIGCHOWSUOQ-RHSMWYFYSA-N 2 2 385.346 3.696 20 10 GHCDLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)c(F)cc3O)c2)CCO1 ZINC000816539803 894908992 /nfs/dbraw/zinc/90/89/92/894908992.db2.gz TXYZQIIGVOWIQP-AWEZNQCLSA-N 2 2 378.875 3.695 20 10 GHCDLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)c(F)cc3O)c2)CCO1 ZINC000816539803 894908997 /nfs/dbraw/zinc/90/89/97/894908997.db2.gz TXYZQIIGVOWIQP-AWEZNQCLSA-N 2 2 378.875 3.695 20 10 GHCDLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Br ZINC000817937961 895966767 /nfs/dbraw/zinc/96/67/67/895966767.db2.gz APSCIENUYGTPBS-SCLBCKFNSA-N 2 2 392.341 3.874 20 10 GHCDLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)c1ccccc1O ZINC000775484689 918233857 /nfs/dbraw/zinc/23/38/57/918233857.db2.gz HNBFJDXHGBSTFA-JOCHJYFZSA-N 2 2 383.536 3.654 20 10 GHCDLP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1cc(Br)ccc1O ZINC000903381890 922979031 /nfs/dbraw/zinc/97/90/31/922979031.db2.gz ZJWLDTPIZFYXEI-SUMWQHHRSA-N 2 2 378.314 3.893 20 10 GHCDLP CCc1cccnc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000780706141 930581646 /nfs/dbraw/zinc/58/16/46/930581646.db2.gz LPQHMPHNKVPUKV-LJQANCHMSA-N 2 2 382.552 3.516 20 10 GHCDLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000925793163 931905445 /nfs/dbraw/zinc/90/54/45/931905445.db2.gz HVKGRVXIWXBPBV-IEBWSBKVSA-N 2 2 375.532 3.625 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140663765 1022203815 /nfs/dbraw/zinc/20/38/15/1022203815.db2.gz OUJTVXHRFFAKFE-NRFANRHFSA-N 2 2 397.538 3.616 20 10 GHCDLP C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140663765 1022203829 /nfs/dbraw/zinc/20/38/29/1022203829.db2.gz OUJTVXHRFFAKFE-NRFANRHFSA-N 2 2 397.538 3.616 20 10 GHCDLP C[NH+](Cc1ccc(N2CCOCC2)cc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001140663765 1022203844 /nfs/dbraw/zinc/20/38/44/1022203844.db2.gz OUJTVXHRFFAKFE-NRFANRHFSA-N 2 2 397.538 3.616 20 10 GHCDLP C[NH+](Cc1ccc(N2CCOCC2)cc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140663765 1022203863 /nfs/dbraw/zinc/20/38/63/1022203863.db2.gz OUJTVXHRFFAKFE-NRFANRHFSA-N 2 2 397.538 3.616 20 10 GHCDLP FC(F)(F)Oc1ccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140806816 1022581634 /nfs/dbraw/zinc/58/16/34/1022581634.db2.gz SUWLUXHKPAKOEP-UHFFFAOYSA-N 2 2 376.382 3.784 20 10 GHCDLP COc1cc(O)c(C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)c(OC)c1 ZINC001141030835 1023295876 /nfs/dbraw/zinc/29/58/76/1023295876.db2.gz MYRVJKHBBIAMDM-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP COc1cc(O)c(C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)c(OC)c1 ZINC001141030835 1023295884 /nfs/dbraw/zinc/29/58/84/1023295884.db2.gz MYRVJKHBBIAMDM-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP COc1cc(O)c(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c(OC)c1 ZINC001141032387 1023299048 /nfs/dbraw/zinc/29/90/48/1023299048.db2.gz AEVSOHGUVYQOGR-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP COc1cc(O)c(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c(OC)c1 ZINC001141032387 1023299053 /nfs/dbraw/zinc/29/90/53/1023299053.db2.gz AEVSOHGUVYQOGR-UHFFFAOYSA-N 2 2 388.483 3.645 20 10 GHCDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc2c(cc1O)CCCC2 ZINC000756854672 1023836071 /nfs/dbraw/zinc/83/60/71/1023836071.db2.gz APZPDMDOUFFKCV-UZLBHIALSA-N 2 2 380.536 3.979 20 10 GHCDLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000841045691 1028067724 /nfs/dbraw/zinc/06/77/24/1028067724.db2.gz OGLXRQCVNSWQNU-KXBFYZLASA-N 2 2 388.943 3.721 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cl)cc1O ZINC000841746688 1028907776 /nfs/dbraw/zinc/90/77/76/1028907776.db2.gz KMOGYAHBKUIEIG-MRXNPFEDSA-N 2 2 390.911 3.607 20 10 GHCDLP c1cncc(COc2ccc(N3CC[NH+](CCC[NH+]4CCCCC4)CC3)cc2)c1 ZINC001209454761 1035277918 /nfs/dbraw/zinc/27/79/18/1035277918.db2.gz TZMNJGWROZPDGL-UHFFFAOYSA-N 2 2 394.563 3.659 20 10 GHCDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(Cl)c(C(C)(C)C)cc1O)CC2 ZINC001248882756 1036223398 /nfs/dbraw/zinc/22/33/98/1036223398.db2.gz NXNUXOLPDBEWFK-UHFFFAOYSA-N 2 2 379.932 3.973 20 10 GHCDLP Oc1cc(Cl)c(F)cc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235649330 1041093590 /nfs/dbraw/zinc/09/35/90/1041093590.db2.gz ONHXEZMPDPNTRU-UHFFFAOYSA-N 2 2 392.906 3.819 20 10 GHCDLP Oc1cc(Cl)c(F)cc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235649330 1041093609 /nfs/dbraw/zinc/09/36/09/1041093609.db2.gz ONHXEZMPDPNTRU-UHFFFAOYSA-N 2 2 392.906 3.819 20 10 GHCDLP COc1cc(C)c(C[N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c(O)c1 ZINC001236503726 1041743314 /nfs/dbraw/zinc/74/33/14/1041743314.db2.gz AQIBGODIUFVDJG-UHFFFAOYSA-N 2 2 376.447 3.742 20 10 GHCDLP COc1cc(C)c(C[N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c(O)c1 ZINC001236503726 1041743324 /nfs/dbraw/zinc/74/33/24/1041743324.db2.gz AQIBGODIUFVDJG-UHFFFAOYSA-N 2 2 376.447 3.742 20 10 GHCDLP COc1cc(O)c(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc1Br ZINC001236654363 1041806285 /nfs/dbraw/zinc/80/62/85/1041806285.db2.gz PIZQSRFAQMTUSA-HNNXBMFYSA-N 2 2 383.330 3.660 20 10 GHCDLP COc1cc(O)c(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc1Br ZINC001236654363 1041806291 /nfs/dbraw/zinc/80/62/91/1041806291.db2.gz PIZQSRFAQMTUSA-HNNXBMFYSA-N 2 2 383.330 3.660 20 10 GHCDLP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC001337786793 1058262869 /nfs/dbraw/zinc/26/28/69/1058262869.db2.gz YJEWTVSNHFOCSY-ICSRJNTNSA-N 2 2 396.531 3.750 20 10 GHCDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(N4CCCCC4)c(C)c3)CC2)c1 ZINC001473152832 1073812278 /nfs/dbraw/zinc/81/22/78/1073812278.db2.gz LHYWRCVEONUOOQ-UHFFFAOYSA-N 2 2 380.536 3.711 20 10 GHCDLP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)c1O ZINC000359864271 212119017 /nfs/dbraw/zinc/11/90/17/212119017.db2.gz ATSMWZYILKNCQK-SJKOYZFVSA-N 2 2 395.956 3.819 20 10 GHCDLP Oc1cccc(Br)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000706805256 840775390 /nfs/dbraw/zinc/77/53/90/840775390.db2.gz VSALIUHZMBOXOK-UHFFFAOYSA-N 2 2 375.310 3.909 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc4c(c3)COC4)CC2)cc1 ZINC000764685417 859567615 /nfs/dbraw/zinc/56/76/15/859567615.db2.gz VJIYKCBRAUFDSW-LJQANCHMSA-N 2 2 395.547 3.588 20 10 GHCDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766011609 861013456 /nfs/dbraw/zinc/01/34/56/861013456.db2.gz NPWIAFNWQRLKLJ-UGKGYDQZSA-N 2 2 397.538 3.978 20 10 GHCDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766011609 861013469 /nfs/dbraw/zinc/01/34/69/861013469.db2.gz NPWIAFNWQRLKLJ-UGKGYDQZSA-N 2 2 397.538 3.978 20 10 GHCDLP CC[NH+]1CCC([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001169268985 871381237 /nfs/dbraw/zinc/38/12/37/871381237.db2.gz SDBNRRAISTWIIW-UHFFFAOYSA-N 2 2 379.548 3.872 20 10 GHCDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517140 874123888 /nfs/dbraw/zinc/12/38/88/874123888.db2.gz ZGOHQAKRIVZIFL-HXUWFJFHSA-N 2 2 386.540 3.749 20 10 GHCDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517140 874123891 /nfs/dbraw/zinc/12/38/91/874123891.db2.gz ZGOHQAKRIVZIFL-HXUWFJFHSA-N 2 2 386.540 3.749 20 10 GHCDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517140 874123895 /nfs/dbraw/zinc/12/38/95/874123895.db2.gz ZGOHQAKRIVZIFL-HXUWFJFHSA-N 2 2 386.540 3.749 20 10 GHCDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517140 874123900 /nfs/dbraw/zinc/12/39/00/874123900.db2.gz ZGOHQAKRIVZIFL-HXUWFJFHSA-N 2 2 386.540 3.749 20 10 GHCDLP COc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)cc1F ZINC000792242138 881000411 /nfs/dbraw/zinc/00/04/11/881000411.db2.gz OJWWPOXZJZUCKV-UHFFFAOYSA-N 2 2 380.467 3.651 20 10 GHCDLP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1O ZINC000287878201 913574665 /nfs/dbraw/zinc/57/46/65/913574665.db2.gz YFTFRMIKYCXBRD-IBGZPJMESA-N 2 2 389.927 3.578 20 10 GHCDLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Br ZINC000817937960 895966423 /nfs/dbraw/zinc/96/64/23/895966423.db2.gz APSCIENUYGTPBS-FZKQIMNGSA-N 2 2 392.341 3.874 20 10 GHCDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942363 895970693 /nfs/dbraw/zinc/97/06/93/895970693.db2.gz OLKILWFLDYWTGU-AEFFLSMTSA-N 2 2 388.537 3.821 20 10 GHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Br)cc1O ZINC000817941189 895970885 /nfs/dbraw/zinc/97/08/85/895970885.db2.gz JIPZRUVPMJPTTP-SJKOYZFVSA-N 2 2 378.314 3.571 20 10 GHCDLP COc1ccc(N2CCC([NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)CC2)cc1 ZINC000883386531 897548057 /nfs/dbraw/zinc/54/80/57/897548057.db2.gz HWNHSXXKTZDADZ-HSZRJFAPSA-N 2 2 376.504 3.892 20 10 GHCDLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140338292 1021443805 /nfs/dbraw/zinc/44/38/05/1021443805.db2.gz DPRDCLSKBRWCFD-INIZCTEOSA-N 2 2 390.911 3.894 20 10 GHCDLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140338292 1021443811 /nfs/dbraw/zinc/44/38/11/1021443811.db2.gz DPRDCLSKBRWCFD-INIZCTEOSA-N 2 2 390.911 3.894 20 10 GHCDLP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000756403327 1023629849 /nfs/dbraw/zinc/62/98/49/1023629849.db2.gz XVOYBUDOVZJQSU-KRWDZBQOSA-N 2 2 389.490 3.529 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c2c1c(F)ccc2O ZINC000756605074 1023733332 /nfs/dbraw/zinc/73/33/32/1023733332.db2.gz QGRIOBIGROOESE-QOJCHSLYSA-N 2 2 384.495 3.552 20 10 GHCDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c2c1c(F)ccc2O ZINC000756605074 1023733334 /nfs/dbraw/zinc/73/33/34/1023733334.db2.gz QGRIOBIGROOESE-QOJCHSLYSA-N 2 2 384.495 3.552 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000756636929 1023748072 /nfs/dbraw/zinc/74/80/72/1023748072.db2.gz XVHVNMVQNOYYHE-FIKGOQFSSA-N 2 2 382.504 3.740 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000756636929 1023748079 /nfs/dbraw/zinc/74/80/79/1023748079.db2.gz XVHVNMVQNOYYHE-FIKGOQFSSA-N 2 2 382.504 3.740 20 10 GHCDLP COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138772595 1025342212 /nfs/dbraw/zinc/34/22/12/1025342212.db2.gz SGYZACLXIVTOBG-UHFFFAOYSA-N 2 2 393.531 3.686 20 10 GHCDLP COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138772595 1025342224 /nfs/dbraw/zinc/34/22/24/1025342224.db2.gz SGYZACLXIVTOBG-UHFFFAOYSA-N 2 2 393.531 3.686 20 10 GHCDLP Brc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1N1CCCCC1 ZINC000839019432 1025522956 /nfs/dbraw/zinc/52/29/56/1025522956.db2.gz UMHJVBWCZVAPLN-INIZCTEOSA-N 2 2 389.341 3.741 20 10 GHCDLP COc1ccc(N2CC[NH+](CCCNc3cc4cc(C)[nH]c4c[nH+]3)CC2)cc1 ZINC001164329595 1026487506 /nfs/dbraw/zinc/48/75/06/1026487506.db2.gz CKUHIFVPEPIRTD-UHFFFAOYSA-N 2 2 379.508 3.504 20 10 GHCDLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203931618 1027725607 /nfs/dbraw/zinc/72/56/07/1027725607.db2.gz KEEKITNMSSWCCZ-UHFFFAOYSA-N 2 2 382.552 3.988 20 10 GHCDLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203931618 1027725624 /nfs/dbraw/zinc/72/56/24/1027725624.db2.gz KEEKITNMSSWCCZ-UHFFFAOYSA-N 2 2 382.552 3.988 20 10 GHCDLP Cc1cc(O)c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000840918013 1027957236 /nfs/dbraw/zinc/95/72/36/1027957236.db2.gz ZWPGZHMBDHGUEQ-UHFFFAOYSA-N 3 2 394.003 3.982 20 10 GHCDLP Cc1cc(O)c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000840918013 1027957240 /nfs/dbraw/zinc/95/72/40/1027957240.db2.gz ZWPGZHMBDHGUEQ-UHFFFAOYSA-N 3 2 394.003 3.982 20 10 GHCDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1ccc3ccccc3c1O)CC2 ZINC001231878472 1034963023 /nfs/dbraw/zinc/96/30/23/1034963023.db2.gz LDPHSGIQWKIYKU-UHFFFAOYSA-N 2 2 378.520 3.943 20 10 GHCDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1ccc3ccccc3c1O)CC2 ZINC001231878472 1034963026 /nfs/dbraw/zinc/96/30/26/1034963026.db2.gz LDPHSGIQWKIYKU-UHFFFAOYSA-N 2 2 378.520 3.943 20 10 GHCDLP Cc1nc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)c2c([nH+]1)CCC2 ZINC001160624961 1035019693 /nfs/dbraw/zinc/01/96/93/1035019693.db2.gz YWMJMVMQICNNML-NHCUHLMSSA-N 2 2 376.460 3.538 20 10 GHCDLP CCOc1ccc(N2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208961236 1035132624 /nfs/dbraw/zinc/13/26/24/1035132624.db2.gz ZBIOXKKXIRPJRW-JOCHJYFZSA-N 2 2 379.548 3.729 20 10 GHCDLP CCOc1ccc(N2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208961236 1035132629 /nfs/dbraw/zinc/13/26/29/1035132629.db2.gz ZBIOXKKXIRPJRW-JOCHJYFZSA-N 2 2 379.548 3.729 20 10 GHCDLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452729 1039337459 /nfs/dbraw/zinc/33/74/59/1039337459.db2.gz IQHRCEGCIJWPEE-LJQANCHMSA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452729 1039337475 /nfs/dbraw/zinc/33/74/75/1039337475.db2.gz IQHRCEGCIJWPEE-LJQANCHMSA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452729 1039337493 /nfs/dbraw/zinc/33/74/93/1039337493.db2.gz IQHRCEGCIJWPEE-LJQANCHMSA-N 2 2 386.458 3.734 20 10 GHCDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452729 1039337513 /nfs/dbraw/zinc/33/75/13/1039337513.db2.gz IQHRCEGCIJWPEE-LJQANCHMSA-N 2 2 386.458 3.734 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)cc2F)CC1 ZINC001340794790 1060131679 /nfs/dbraw/zinc/13/16/79/1060131679.db2.gz CBTGLGWPOILPIV-MSOLQXFVSA-N 2 2 386.342 3.593 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)cc2F)CC1 ZINC001340794790 1060131686 /nfs/dbraw/zinc/13/16/86/1060131686.db2.gz CBTGLGWPOILPIV-MSOLQXFVSA-N 2 2 386.342 3.593 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3cccnc3)cc2F)CC1 ZINC001200076700 1065143284 /nfs/dbraw/zinc/14/32/84/1065143284.db2.gz JUYHGWRCKRMRIW-DEOSSOPVSA-N 2 2 390.506 3.852 20 10 GHCDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177807384 837232765 /nfs/dbraw/zinc/23/27/65/837232765.db2.gz USMPMODDOMTTKL-QGZVFWFLSA-N 2 2 380.467 3.699 20 10 GHCDLP C[NH+]1CCN(c2ccc(CNc3cc[nH+]c4[nH]cc(C(F)(F)F)c43)cc2)CC1 ZINC001167434085 840166401 /nfs/dbraw/zinc/16/64/01/840166401.db2.gz ATNPYOMHDMBDCF-UHFFFAOYSA-N 2 2 389.425 3.946 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3sc(C)nc3C)CC2)cc1 ZINC000178423120 841851618 /nfs/dbraw/zinc/85/16/18/841851618.db2.gz LRABOHMIQVAWLW-INIZCTEOSA-N 2 2 388.581 3.631 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cnc4ccccc4c3)CC2)cc1 ZINC000727464731 860104349 /nfs/dbraw/zinc/10/43/49/860104349.db2.gz WXEYRURAWUTHTC-UHFFFAOYSA-N 2 2 390.531 3.545 20 10 GHCDLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000730574875 861180023 /nfs/dbraw/zinc/18/00/23/861180023.db2.gz CRDMUCORQOBSHG-UHFFFAOYSA-N 2 2 385.939 3.577 20 10 GHCDLP CCC[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)c1cccnc1 ZINC000184900565 865032671 /nfs/dbraw/zinc/03/26/71/865032671.db2.gz CFZUTNSDWDLAHT-QHCPKHFHSA-N 2 2 382.552 3.733 20 10 GHCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)cc3O)cc2F)CC1 ZINC000185393670 866053977 /nfs/dbraw/zinc/05/39/77/866053977.db2.gz VXXAMOZLBQBIOV-OAHLLOKOSA-N 2 2 375.463 3.663 20 10 GHCDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Cl)ccc1O ZINC000769527790 874135410 /nfs/dbraw/zinc/13/54/10/874135410.db2.gz RUZAEGTZARFNSY-UHFFFAOYSA-N 3 2 379.976 3.674 20 10 GHCDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Cl)ccc1O ZINC000769527790 874135413 /nfs/dbraw/zinc/13/54/13/874135413.db2.gz RUZAEGTZARFNSY-UHFFFAOYSA-N 3 2 379.976 3.674 20 10 GHCDLP C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119319206 886899722 /nfs/dbraw/zinc/89/97/22/886899722.db2.gz RBRWBGPELMKIJF-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119319206 886899754 /nfs/dbraw/zinc/89/97/54/886899754.db2.gz RBRWBGPELMKIJF-UHFFFAOYSA-N 2 2 397.538 3.759 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3c3nnc(C4CCC4)o3)cc2)CC1 ZINC000809726218 887752747 /nfs/dbraw/zinc/75/27/47/887752747.db2.gz FXYQUCCNQOCSEO-OAQYLSRUSA-N 2 2 395.551 3.816 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3c3nnc(C4CCC4)o3)cc2)CC1 ZINC000809726218 887752764 /nfs/dbraw/zinc/75/27/64/887752764.db2.gz FXYQUCCNQOCSEO-OAQYLSRUSA-N 2 2 395.551 3.816 20 10 GHCDLP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216094 888293057 /nfs/dbraw/zinc/29/30/57/888293057.db2.gz QGGAUANTNANATK-GOSISDBHSA-N 2 2 387.490 3.725 20 10 GHCDLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)c(F)cc3O)c2)CCO1 ZINC000816539804 894909047 /nfs/dbraw/zinc/90/90/47/894909047.db2.gz TXYZQIIGVOWIQP-CQSZACIVSA-N 2 2 378.875 3.695 20 10 GHCDLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)c(F)cc3O)c2)CCO1 ZINC000816539804 894909053 /nfs/dbraw/zinc/90/90/53/894909053.db2.gz TXYZQIIGVOWIQP-CQSZACIVSA-N 2 2 378.875 3.695 20 10 GHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000817940024 895970162 /nfs/dbraw/zinc/97/01/62/895970162.db2.gz DUVFUIWWFNBYSG-VXKWHMMOSA-N 2 2 375.520 3.605 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H]3CCCF)CC2)cc1 ZINC000800965309 920650707 /nfs/dbraw/zinc/65/07/07/920650707.db2.gz HUYBUUPPXGYDDW-DENIHFKCSA-N 2 2 377.548 3.715 20 10 GHCDLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(F)cc(F)c3O)CC2)oc1C ZINC000756568445 1023715350 /nfs/dbraw/zinc/71/53/50/1023715350.db2.gz FEKRAROQEUFDLC-ZDUSSCGKSA-N 2 2 379.451 3.838 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000756596986 1023728538 /nfs/dbraw/zinc/72/85/38/1023728538.db2.gz IMPHQEKOFJYABC-YYFZDKIDSA-N 2 2 388.533 3.974 20 10 GHCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000756596986 1023728547 /nfs/dbraw/zinc/72/85/47/1023728547.db2.gz IMPHQEKOFJYABC-YYFZDKIDSA-N 2 2 388.533 3.974 20 10 GHCDLP CN1CCOc2cc(C[N@H+](Cc3ccc(F)cc3)C3CC[NH+](C)CC3)ccc21 ZINC001141146471 1023967240 /nfs/dbraw/zinc/96/72/40/1023967240.db2.gz WJIQCSIWBXMBTE-UHFFFAOYSA-N 2 2 383.511 3.751 20 10 GHCDLP CN1CCOc2cc(C[N@@H+](Cc3ccc(F)cc3)C3CC[NH+](C)CC3)ccc21 ZINC001141146471 1023967244 /nfs/dbraw/zinc/96/72/44/1023967244.db2.gz WJIQCSIWBXMBTE-UHFFFAOYSA-N 2 2 383.511 3.751 20 10 GHCDLP COc1ccc(O)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001203669574 1027521347 /nfs/dbraw/zinc/52/13/47/1027521347.db2.gz AXNMYDFUDSCSKJ-UHFFFAOYSA-N 2 2 385.508 3.636 20 10 GHCDLP COc1ccc(O)c(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001203669574 1027521354 /nfs/dbraw/zinc/52/13/54/1027521354.db2.gz AXNMYDFUDSCSKJ-UHFFFAOYSA-N 2 2 385.508 3.636 20 10 GHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000841046079 1028068356 /nfs/dbraw/zinc/06/83/56/1028068356.db2.gz VSMWIONYLVEYJR-WMQCIHAUSA-N 2 2 382.508 3.662 20 10 GHCDLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC001150349085 1030500171 /nfs/dbraw/zinc/50/01/71/1030500171.db2.gz WBYSLYDJGQWJNM-LJQANCHMSA-N 2 2 395.975 3.638 20 10 GHCDLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC001150349085 1030500192 /nfs/dbraw/zinc/50/01/92/1030500192.db2.gz WBYSLYDJGQWJNM-LJQANCHMSA-N 2 2 395.975 3.638 20 10 GHCDLP CCCCCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150349085 1030500207 /nfs/dbraw/zinc/50/02/07/1030500207.db2.gz WBYSLYDJGQWJNM-LJQANCHMSA-N 2 2 395.975 3.638 20 10 GHCDLP CCCCCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150349085 1030500221 /nfs/dbraw/zinc/50/02/21/1030500221.db2.gz WBYSLYDJGQWJNM-LJQANCHMSA-N 2 2 395.975 3.638 20 10 GHCDLP Oc1c(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cccc1C(F)(F)F ZINC001233418360 1039279198 /nfs/dbraw/zinc/27/91/98/1039279198.db2.gz DAELLXXBNCTJKW-QZTJIDSGSA-N 2 2 376.422 3.975 20 10 GHCDLP COc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(O)c1Cl ZINC001235385268 1040904191 /nfs/dbraw/zinc/90/41/91/1040904191.db2.gz UNLSIXZGKQIVPC-AVRDEDQJSA-N 2 2 386.923 3.807 20 10 GHCDLP COc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(O)c1Cl ZINC001235385268 1040904206 /nfs/dbraw/zinc/90/42/06/1040904206.db2.gz UNLSIXZGKQIVPC-AVRDEDQJSA-N 2 2 386.923 3.807 20 10 GHCDLP COc1cc(O)c(C[N@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)c(OC)c1 ZINC001236520789 1041751416 /nfs/dbraw/zinc/75/14/16/1041751416.db2.gz GDKANJKENJVNOK-UHFFFAOYSA-N 2 2 388.483 3.611 20 10 GHCDLP COc1cc(O)c(C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)c(OC)c1 ZINC001236520789 1041751422 /nfs/dbraw/zinc/75/14/22/1041751422.db2.gz GDKANJKENJVNOK-UHFFFAOYSA-N 2 2 388.483 3.611 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](F)CC3)cc2Br)CC1 ZINC001237088561 1042030516 /nfs/dbraw/zinc/03/05/16/1042030516.db2.gz BHRIFQQEUZQEFA-MRXNPFEDSA-N 2 2 384.337 3.525 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](F)CC3)cc2Br)CC1 ZINC001237088561 1042030518 /nfs/dbraw/zinc/03/05/18/1042030518.db2.gz BHRIFQQEUZQEFA-MRXNPFEDSA-N 2 2 384.337 3.525 20 10 GHCDLP Oc1c(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cccc1OC(F)(F)F ZINC001237288772 1042125677 /nfs/dbraw/zinc/12/56/77/1042125677.db2.gz IOJWQWYDIMKLGJ-UHFFFAOYSA-N 2 2 392.421 3.928 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)cccc3OC(F)F)cc2F)CC1 ZINC001308392236 1049965234 /nfs/dbraw/zinc/96/52/34/1049965234.db2.gz LJZOYGLNMQMMGY-UHFFFAOYSA-N 2 2 397.416 3.608 20 10 GHCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccnc4ccccc34)CC2)cc1 ZINC000731360429 861588506 /nfs/dbraw/zinc/58/85/06/861588506.db2.gz CFSGMMLAHSUZDF-UHFFFAOYSA-N 2 2 390.531 3.545 20 10 GHCDLP Oc1cc(Br)ccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000691448297 873257791 /nfs/dbraw/zinc/25/77/91/873257791.db2.gz FPXIDTXGDSTSEU-UHFFFAOYSA-N 2 2 375.310 3.909 20 10 GHCDLP COc1ccc(N2CC[C@@H]([NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)C2)cc1 ZINC000850346618 876837650 /nfs/dbraw/zinc/83/76/50/876837650.db2.gz HYHWUHHBKFLERS-HXUWFJFHSA-N 2 2 394.563 3.599 20 10 GHCDLP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850558173 877025877 /nfs/dbraw/zinc/02/58/77/877025877.db2.gz UYHQNMNNSYUOKD-GMAHTHKFSA-N 2 2 380.532 3.909 20 10 GHCDLP Fc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1N1CCOCC1 ZINC000809750383 887786750 /nfs/dbraw/zinc/78/67/50/887786750.db2.gz ZQMAIHKQIKOKQU-UHFFFAOYSA-N 2 2 386.515 3.551 20 10 GHCDLP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c(O)c1 ZINC000815569320 894006285 /nfs/dbraw/zinc/00/62/85/894006285.db2.gz OSSZIXHCXVNDFF-LJQANCHMSA-N 2 2 384.520 3.571 20 10 GHCDLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(Cl)c(F)cc3O)cc2)CC1 ZINC000816535271 894903900 /nfs/dbraw/zinc/90/39/00/894903900.db2.gz KSZNXFKGRTUORR-UHFFFAOYSA-N 2 2 391.918 3.612 20 10 GHCDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1O ZINC000817943548 895972424 /nfs/dbraw/zinc/97/24/24/895972424.db2.gz VHAVFKQONHJHJB-FZKQIMNGSA-N 2 2 392.341 3.880 20 10 GHCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(Cl)cccc3-n3cc[nH+]c3)cc2)CC1 ZINC000824477281 899620975 /nfs/dbraw/zinc/62/09/75/899620975.db2.gz ONMIETLEUSMGOA-UHFFFAOYSA-N 3 2 395.938 3.567 20 10 GHCDLP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC1 ZINC001172799040 905872526 /nfs/dbraw/zinc/87/25/26/905872526.db2.gz OGPZMHXWVQNYSE-FHTPNYMGSA-N 2 2 398.503 3.550 20 10 GHCDLP COc1cc(Cl)cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1O ZINC000184684595 907638822 /nfs/dbraw/zinc/63/88/22/907638822.db2.gz SIOKZSYYOFRFTD-UHFFFAOYSA-N 2 2 389.927 3.588 20 10 GHCDLP COc1cc(Cl)cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1O ZINC000184684595 907638829 /nfs/dbraw/zinc/63/88/29/907638829.db2.gz SIOKZSYYOFRFTD-UHFFFAOYSA-N 2 2 389.927 3.588 20 10 GHCDLP COc1c(O)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000802655812 922316598 /nfs/dbraw/zinc/31/65/98/922316598.db2.gz DZPUPFJDQUINES-IBGZPJMESA-N 2 2 399.491 3.699 20 10 GHCDLP COc1c(O)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000802655812 922316611 /nfs/dbraw/zinc/31/66/11/922316611.db2.gz DZPUPFJDQUINES-IBGZPJMESA-N 2 2 399.491 3.699 20 10 GHCDLP COc1ccc(N2CC[NH+](CCCNc3cc4ccccc4c[nH+]3)CC2)cc1 ZINC001156256800 1032945543 /nfs/dbraw/zinc/94/55/43/1032945543.db2.gz HOLLRXSCANSETO-UHFFFAOYSA-N 2 2 376.504 3.868 20 10 GHCDLP CN(C)c1ccc(/C=C/C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000835028802 1021785535 /nfs/dbraw/zinc/78/55/35/1021785535.db2.gz SHZYPRNSXVZQSK-VOTSOKGWSA-N 2 2 378.564 3.800 20 10 GHCDLP CN(C)c1ccc(/C=C/C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000835028802 1021785552 /nfs/dbraw/zinc/78/55/52/1021785552.db2.gz SHZYPRNSXVZQSK-VOTSOKGWSA-N 2 2 378.564 3.800 20 10 GHCDLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c(O)c1C ZINC000756463740 1023665847 /nfs/dbraw/zinc/66/58/47/1023665847.db2.gz CRXLEQWJWQRKPC-IBGZPJMESA-N 2 2 384.520 3.571 20 10 GHCDLP Cc1c(C[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c2ccccc2n1C ZINC001138255836 1024479929 /nfs/dbraw/zinc/47/99/29/1024479929.db2.gz VDWBWBWZEPYHJM-UHFFFAOYSA-N 2 2 390.531 3.753 20 10 GHCDLP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(OC)c1 ZINC001138385908 1024757785 /nfs/dbraw/zinc/75/77/85/1024757785.db2.gz CWIHYMVCXCKMAH-VXKWHMMOSA-N 2 2 394.563 3.500 20 10 GHCDLP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841045102 1028066521 /nfs/dbraw/zinc/06/65/21/1028066521.db2.gz HSIIYRMDJZKYRC-VGSWGCGISA-N 2 2 382.552 3.883 20 10 GHCDLP Cc1cc(O)c(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1Cl ZINC001231868843 1034954963 /nfs/dbraw/zinc/95/49/63/1034954963.db2.gz XTRVTLOKGBVAPP-UHFFFAOYSA-N 2 2 388.943 3.718 20 10 GHCDLP Cc1cc(O)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc1Cl ZINC001231868843 1034954969 /nfs/dbraw/zinc/95/49/69/1034954969.db2.gz XTRVTLOKGBVAPP-UHFFFAOYSA-N 2 2 388.943 3.718 20 10 GHCDLP COc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246520860 1037454946 /nfs/dbraw/zinc/45/49/46/1037454946.db2.gz KXOGRRHZHZQMLB-OFNKIYASSA-N 2 2 383.511 3.758 20 10 GHCDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC001236665708 1041812857 /nfs/dbraw/zinc/81/28/57/1041812857.db2.gz ITEFABAXRJWDDI-UHFFFAOYSA-N 2 2 390.325 3.906 20 10 GHCDLP CC(C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1)CC1CC1 ZINC001237091606 1042031772 /nfs/dbraw/zinc/03/17/72/1042031772.db2.gz BWMNTZALFBIGSE-UHFFFAOYSA-N 2 2 380.374 3.821 20 10 GHCDLP CC(C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1)CC1CC1 ZINC001237091606 1042031778 /nfs/dbraw/zinc/03/17/78/1042031778.db2.gz BWMNTZALFBIGSE-UHFFFAOYSA-N 2 2 380.374 3.821 20 10 GHCDLP Oc1cccc(OC(F)(F)F)c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001237122689 1042050950 /nfs/dbraw/zinc/05/09/50/1042050950.db2.gz KUKNVBOUEKZKRU-IAGOWNOFSA-N 2 2 392.421 3.855 20 10 GHCDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237683489 1042323649 /nfs/dbraw/zinc/32/36/49/1042323649.db2.gz BDXFMHOORPBPMA-HNNXBMFYSA-N 2 2 377.282 3.820 20 10 GHCDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001237683489 1042323652 /nfs/dbraw/zinc/32/36/52/1042323652.db2.gz BDXFMHOORPBPMA-HNNXBMFYSA-N 2 2 377.282 3.820 20 10 GHCDLP COCCCCc1ccc[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001343618378 1053931191 /nfs/dbraw/zinc/93/11/91/1053931191.db2.gz PNLRLOQQGRJOHS-UHFFFAOYSA-N 2 2 386.515 3.554 20 10 GHCDLP COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001321229673 1056174071 /nfs/dbraw/zinc/17/40/71/1056174071.db2.gz RPMFUJBOEPEKIE-OAQYLSRUSA-N 2 2 387.499 3.654 20 10 GHCDLP COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001321229673 1056174075 /nfs/dbraw/zinc/17/40/75/1056174075.db2.gz RPMFUJBOEPEKIE-OAQYLSRUSA-N 2 2 387.499 3.654 20 10 GHCDLP