smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CN2CC[C@@H]3COC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139254640 860338221 /nfs/dbraw/zinc/33/82/21/860338221.db2.gz KGWANKUWKMEFNS-ZBFHGGJFSA-N 1 3 320.433 1.931 20 10 DDCDHO CCN1C[C@@H]2C[C@H]1CN2Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259811 860340480 /nfs/dbraw/zinc/34/04/80/860340480.db2.gz COVMGABPAJPAEP-HOTGVXAUSA-N 1 3 319.449 1.741 20 10 DDCDHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(O)c(C)c1O ZINC001140745900 860690284 /nfs/dbraw/zinc/69/02/84/860690284.db2.gz PIEIJYUXXZYMAI-UHFFFAOYSA-N 1 3 324.421 1.723 20 10 DDCDHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(O)c(C)c1O ZINC001140745900 860690288 /nfs/dbraw/zinc/69/02/88/860690288.db2.gz PIEIJYUXXZYMAI-UHFFFAOYSA-N 1 3 324.421 1.723 20 10 DDCDHO [NH3+][C@H](CC(=O)N1CCC2(CC([NH3+])C2)CC1)c1ccccc1[O-] ZINC001158083121 864417274 /nfs/dbraw/zinc/41/72/74/864417274.db2.gz VBWBWJMWJZFDDJ-CQSZACIVSA-N 1 3 303.406 1.512 20 10 DDCDHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894493 702511815 /nfs/dbraw/zinc/51/18/15/702511815.db2.gz LKLUHXFKLATZAF-JKSUJKDBSA-N 1 3 307.413 1.756 20 10 DDCDHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[NH3+])cc2F)CC1 ZINC000817902687 702514756 /nfs/dbraw/zinc/51/47/56/702514756.db2.gz XCLZUULZTNDWBT-IAGOWNOFSA-N 1 3 320.456 1.937 20 10 DDCDHO Oc1ccc([C@@H](O)C[NH2+]C2CCN(CC3CC3)CC2)cc1O ZINC001168351082 742215005 /nfs/dbraw/zinc/21/50/05/742215005.db2.gz BULOCLWVHQIJEA-KRWDZBQOSA-N 1 3 306.406 1.595 20 10 DDCDHO COc1ccc(C[NH2+]CCNC(=O)CN2CCC[C@@H]2C)cc1C ZINC001133824045 770327053 /nfs/dbraw/zinc/32/70/53/770327053.db2.gz WMUHPKKHOZQNJJ-HNNXBMFYSA-N 1 3 319.449 1.694 20 10 DDCDHO COc1ccc(C[NH2+]CCNC(=O)CN(C)C(C)C)cc1C ZINC001152432830 863342611 /nfs/dbraw/zinc/34/26/11/863342611.db2.gz NASMMKNTULSUHA-UHFFFAOYSA-N 1 3 307.438 1.550 20 10 DDCDHO Nc1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001334754610 867815033 /nfs/dbraw/zinc/81/50/33/867815033.db2.gz PQIJIPWVEVMJKY-CVEARBPZSA-N 1 3 316.405 1.026 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)CCCCC[NH3+])N(C)C)cc1 ZINC001343047369 872481191 /nfs/dbraw/zinc/48/11/91/872481191.db2.gz NCDWSZJZDACVPX-KRWDZBQOSA-N 1 3 320.481 1.991 20 10 DDCDHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343046663 872481706 /nfs/dbraw/zinc/48/17/06/872481706.db2.gz DQGUQBLZOSLIGH-XEZPLFJOSA-N 1 3 306.454 1.455 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)N(C)C)cc1 ZINC001355639306 878656622 /nfs/dbraw/zinc/65/66/22/878656622.db2.gz IDCWXLNXACYWQU-FUHWJXTLSA-N 1 3 318.465 1.471 20 10 DDCDHO Cc1cc(Br)cc(C[N@H+](C)CCOCC[NH3+])c1[O-] ZINC000863650915 705976799 /nfs/dbraw/zinc/97/67/99/705976799.db2.gz DSURTFJHOMDXDM-UHFFFAOYSA-N 1 3 317.227 1.870 20 10 DDCDHO Cc1cc(Br)cc(C[N@@H+](C)CCOCC[NH3+])c1[O-] ZINC000863650915 705976801 /nfs/dbraw/zinc/97/68/01/705976801.db2.gz DSURTFJHOMDXDM-UHFFFAOYSA-N 1 3 317.227 1.870 20 10 DDCDHO Cc1ccc(CNCC(=O)NCC[NH+]2CCCCCC2)c(O)c1 ZINC000877547949 706139217 /nfs/dbraw/zinc/13/92/17/706139217.db2.gz AVYNSHZCYJISQT-UHFFFAOYSA-N 1 3 319.449 1.782 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2)CC1 ZINC000873228717 707778041 /nfs/dbraw/zinc/77/80/41/707778041.db2.gz IJBMPDVMQPJNQR-PKOBYXMFSA-N 1 3 314.477 1.480 20 10 DDCDHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(OC)cc1O ZINC001203628861 744301768 /nfs/dbraw/zinc/30/17/68/744301768.db2.gz HRAOMLBPYURTQC-UHFFFAOYSA-N 1 3 324.421 1.718 20 10 DDCDHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(OC)cc1O ZINC001203628861 744301770 /nfs/dbraw/zinc/30/17/70/744301770.db2.gz HRAOMLBPYURTQC-UHFFFAOYSA-N 1 3 324.421 1.718 20 10 DDCDHO Cc1c(O)ccc(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001276118384 854771329 /nfs/dbraw/zinc/77/13/29/854771329.db2.gz ZKEFPDFCYGCSKR-IYBDPMFKSA-N 1 3 319.449 1.616 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C[NH3+])N(C)C)cc1 ZINC001122413812 858797080 /nfs/dbraw/zinc/79/70/80/858797080.db2.gz BCMTUWMNRCFLPI-MRXNPFEDSA-N 1 3 320.481 1.847 20 10 DDCDHO CCc1ccc(CN2CC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276805648 878282449 /nfs/dbraw/zinc/28/24/49/878282449.db2.gz ZNUIKCCAWQUZTN-UHFFFAOYSA-N 1 3 303.450 1.634 20 10 DDCDHO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771842838 701333911 /nfs/dbraw/zinc/33/39/11/701333911.db2.gz MYPZDGGLVAKPJE-CRAIPNDOSA-N 1 3 302.466 1.478 20 10 DDCDHO CN(C)c1ccc([C@H]([NH3+])CN[C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000817944331 702532654 /nfs/dbraw/zinc/53/26/54/702532654.db2.gz ZHLRYJRWQLEZGY-KZNAEPCWSA-N 1 3 318.465 1.109 20 10 DDCDHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162727 702980572 /nfs/dbraw/zinc/98/05/72/702980572.db2.gz NTRNEQRLSJUMOQ-CKEIUWERSA-N 1 3 318.465 1.741 20 10 DDCDHO COc1ccc(C[NH2+]CCNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001133845958 770353601 /nfs/dbraw/zinc/35/36/01/770353601.db2.gz QRBGPKHOXILJMC-AWEZNQCLSA-N 1 3 319.449 1.551 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H](C)[C@H](O)C3)cc2)CC1 ZINC001140302339 860615042 /nfs/dbraw/zinc/61/50/42/860615042.db2.gz OJQSLTBDDMBCLL-MAUKXSAKSA-N 1 3 303.450 1.641 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H](C)[C@H](O)C3)cc2)CC1 ZINC001140302339 860615046 /nfs/dbraw/zinc/61/50/46/860615046.db2.gz OJQSLTBDDMBCLL-MAUKXSAKSA-N 1 3 303.450 1.641 20 10 DDCDHO [NH3+][C@H](CC(=O)N1CCC[C@@]12CCC[NH2+]C2)c1ccccc1[O-] ZINC001158161928 864462420 /nfs/dbraw/zinc/46/24/20/864462420.db2.gz SSMFOMQFKDKRDY-RHSMWYFYSA-N 1 3 303.406 1.527 20 10 DDCDHO C[NH+]1CCN(c2ccc(CN3CCC(F)(F)[C@@H](N)C3)cc2)CC1 ZINC001206668832 865172783 /nfs/dbraw/zinc/17/27/83/865172783.db2.gz VTIJWKJYMQBWAU-INIZCTEOSA-N 1 3 324.419 1.607 20 10 DDCDHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2cccc(O)c2C1 ZINC001160872621 866160481 /nfs/dbraw/zinc/16/04/81/866160481.db2.gz NEJMRAWRMFYVDE-HNNXBMFYSA-N 1 3 315.417 1.151 20 10 DDCDHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2cccc(O)c2C1 ZINC001160872621 866160486 /nfs/dbraw/zinc/16/04/86/866160486.db2.gz NEJMRAWRMFYVDE-HNNXBMFYSA-N 1 3 315.417 1.151 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2C[NH3+])N(C)C)cc1 ZINC001345638045 873462865 /nfs/dbraw/zinc/46/28/65/873462865.db2.gz POTXPKRVOCLSPM-BMFZPTHFSA-N 1 3 304.438 1.066 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@H]4CC[C@@]4([NH3+])C3)cc2)CC1 ZINC001235997167 889053619 /nfs/dbraw/zinc/05/36/19/889053619.db2.gz VAIOJROSNTVAAE-IEBWSBKVSA-N 1 3 314.477 1.752 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC001236283052 889160441 /nfs/dbraw/zinc/16/04/41/889160441.db2.gz DTNQCOHUSJCSJN-WMZOPIPTSA-N 1 3 300.450 1.232 20 10 DDCDHO C[NH2+]C[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263259695 900550040 /nfs/dbraw/zinc/55/00/40/900550040.db2.gz FTKRGGGEDQJQHK-XJKSGUPXSA-N 1 3 306.454 1.327 20 10 DDCDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000364417549 276184517 /nfs/dbraw/zinc/18/45/17/276184517.db2.gz PEBAHIOQMIHYRU-INIZCTEOSA-N 1 3 315.465 1.777 20 10 DDCDHO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)C1 ZINC000817889569 702509712 /nfs/dbraw/zinc/50/97/12/702509712.db2.gz PMOJIIXFBMDIOD-DJIMGWMZSA-N 1 3 316.449 1.358 20 10 DDCDHO C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834571167 707088481 /nfs/dbraw/zinc/08/84/81/707088481.db2.gz PHMXFLVZIXHWIE-MRXNPFEDSA-N 1 3 303.450 1.997 20 10 DDCDHO C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834571167 707088483 /nfs/dbraw/zinc/08/84/83/707088483.db2.gz PHMXFLVZIXHWIE-MRXNPFEDSA-N 1 3 303.450 1.997 20 10 DDCDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925778350 714933572 /nfs/dbraw/zinc/93/35/72/714933572.db2.gz USRRVAOLYRFONI-KBPBESRZSA-N 1 3 318.465 1.604 20 10 DDCDHO C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1[O-] ZINC000925857422 714952222 /nfs/dbraw/zinc/95/22/22/714952222.db2.gz ZSZRQTMNPBFLOD-CHWSQXEVSA-N 1 3 304.390 1.728 20 10 DDCDHO NCc1ccc2c(n1)N(c1ncnc3c1CC[NH2+]CC3)CCC2 ZINC001158647615 864782575 /nfs/dbraw/zinc/78/25/75/864782575.db2.gz POQXPZAKZAENQW-UHFFFAOYSA-N 1 3 310.405 1.103 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)N(C)CCC[NH3+])N(C)C)cc1 ZINC001353529102 877402955 /nfs/dbraw/zinc/40/29/55/877402955.db2.gz RTWLGCZMKRTNHC-MRXNPFEDSA-N 1 3 321.469 1.346 20 10 DDCDHO CC(C)CN1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001258000717 898003690 /nfs/dbraw/zinc/00/36/90/898003690.db2.gz LUEOJVCCGFTRPS-KRWDZBQOSA-N 1 3 308.422 1.841 20 10 DDCDHO CC(C)[NH+]1CCC(O)(CNCc2ccc3c(c2)CCO3)CC1 ZINC000268417098 408034657 /nfs/dbraw/zinc/03/46/57/408034657.db2.gz JZHSHUPAQGPPDD-UHFFFAOYSA-N 1 3 304.434 1.946 20 10 DDCDHO COc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000530249331 307590510 /nfs/dbraw/zinc/59/05/10/307590510.db2.gz VSYWZYKBMAZRET-MRXNPFEDSA-N 1 3 320.433 1.991 20 10 DDCDHO COc1cccc([O-])c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000729684765 699485135 /nfs/dbraw/zinc/48/51/35/699485135.db2.gz VWLQFMCXCYVSBZ-UHFFFAOYSA-N 1 3 307.438 1.518 20 10 DDCDHO COc1cccc([O-])c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000729684765 699485136 /nfs/dbraw/zinc/48/51/36/699485136.db2.gz VWLQFMCXCYVSBZ-UHFFFAOYSA-N 1 3 307.438 1.518 20 10 DDCDHO CC(C)N(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254760 710143413 /nfs/dbraw/zinc/14/34/13/710143413.db2.gz JBAUASPRRQEDLF-QGZVFWFLSA-N 1 3 320.481 1.812 20 10 DDCDHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001272618438 846415830 /nfs/dbraw/zinc/41/58/30/846415830.db2.gz HYBFKOHQAFBPTF-HZPDHXFCSA-N 1 3 317.433 1.519 20 10 DDCDHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001272618438 846415837 /nfs/dbraw/zinc/41/58/37/846415837.db2.gz HYBFKOHQAFBPTF-HZPDHXFCSA-N 1 3 317.433 1.519 20 10 DDCDHO COc1cc(CN2CCC[C@@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139256614 860338976 /nfs/dbraw/zinc/33/89/76/860338976.db2.gz FCWLWMFSRHCEPX-QGZVFWFLSA-N 1 3 308.422 1.809 20 10 DDCDHO [NH3+]C[C@]1(F)CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2[O-])CC1 ZINC001157743020 864095512 /nfs/dbraw/zinc/09/55/12/864095512.db2.gz FSHKHFVRBLBWQI-CJNGLKHVSA-N 1 3 309.385 1.462 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C2CC[NH2+]CC2)N(C)C)cc1 ZINC001342293279 872130784 /nfs/dbraw/zinc/13/07/84/872130784.db2.gz PTYIEIGUOGPZFU-QGZVFWFLSA-N 1 3 318.465 1.471 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@]2(F)CC[NH2+]C2)N(C)C)cc1 ZINC001343166750 872523864 /nfs/dbraw/zinc/52/38/64/872523864.db2.gz WBTLXINEEUAZFR-WBVHZDCISA-N 1 3 322.428 1.173 20 10 DDCDHO CCN1CCN(c2ccc(CN3CC([NH3+])(CC)C3)cc2)CC1 ZINC001236185413 889129420 /nfs/dbraw/zinc/12/94/20/889129420.db2.gz JLXONQMURQNBSL-UHFFFAOYSA-N 1 3 302.466 1.752 20 10 DDCDHO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CN(C)C ZINC000813787426 702418051 /nfs/dbraw/zinc/41/80/51/702418051.db2.gz YABYYLVEGSDAJQ-CQSZACIVSA-N 1 3 309.429 1.950 20 10 DDCDHO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)n1cncn1 ZINC000817941210 702531677 /nfs/dbraw/zinc/53/16/77/702531677.db2.gz JKCVLKAOVRWYRS-XJKSGUPXSA-N 1 3 316.453 1.757 20 10 DDCDHO CN(CCOCC[NH3+])Cc1ccc(N2CCOCC2)c(F)c1 ZINC000863650674 705976892 /nfs/dbraw/zinc/97/68/92/705976892.db2.gz YDFZSFLALCTSKC-UHFFFAOYSA-N 1 3 311.401 1.069 20 10 DDCDHO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C[NH3+] ZINC000923496107 714378408 /nfs/dbraw/zinc/37/84/08/714378408.db2.gz GRMPCIZRDCZEMW-GDBMZVCRSA-N 1 3 318.465 1.286 20 10 DDCDHO C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275913851 853936671 /nfs/dbraw/zinc/93/66/71/853936671.db2.gz RTDIOAVZMGOEJI-UHFFFAOYSA-N 1 3 321.440 1.991 20 10 DDCDHO C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275913851 853936674 /nfs/dbraw/zinc/93/66/74/853936674.db2.gz RTDIOAVZMGOEJI-UHFFFAOYSA-N 1 3 321.440 1.991 20 10 DDCDHO C[C@H](C[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001338732445 870139248 /nfs/dbraw/zinc/13/92/48/870139248.db2.gz PEFUARDOXKPPDU-IUODEOHRSA-N 1 3 307.442 1.002 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC001343046978 872481562 /nfs/dbraw/zinc/48/15/62/872481562.db2.gz HTNANEVFVNANPP-QMCVQRASSA-N 1 3 316.449 1.079 20 10 DDCDHO CC[NH2+]CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001353415247 877310990 /nfs/dbraw/zinc/31/09/90/877310990.db2.gz CVSUHZABCRMVMR-INIZCTEOSA-N 1 3 321.469 1.264 20 10 DDCDHO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001353427778 877322793 /nfs/dbraw/zinc/32/27/93/877322793.db2.gz CBFZSJJIYLFECK-XEZPLFJOSA-N 1 3 321.469 1.390 20 10 DDCDHO Oc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1O ZINC001256685445 897536461 /nfs/dbraw/zinc/53/64/61/897536461.db2.gz DQWNVDGETWVKIG-UHFFFAOYSA-N 1 3 306.406 1.831 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])C2)N(C)C)cc1 ZINC001262601708 900269919 /nfs/dbraw/zinc/26/99/19/900269919.db2.gz KPWJETOIVGJUDO-GOEBONIOSA-N 1 3 319.453 1.098 20 10 DDCDHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162729 702980445 /nfs/dbraw/zinc/98/04/45/702980445.db2.gz NTRNEQRLSJUMOQ-JKIFEVAISA-N 1 3 318.465 1.741 20 10 DDCDHO CN1CCN(c2ccc(CN[C@]34CCC[C@H]3[NH2+]CC4)cc2)CC1 ZINC000873229814 707778580 /nfs/dbraw/zinc/77/85/80/707778580.db2.gz GKYJJLMDUDFTKF-MOPGFXCFSA-N 1 3 314.477 1.813 20 10 DDCDHO COc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001275279120 852948925 /nfs/dbraw/zinc/94/89/25/852948925.db2.gz SISKFTXFEUOXIW-IYBDPMFKSA-N 1 3 319.449 1.611 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)N(C)C)cc1 ZINC001122413974 858797164 /nfs/dbraw/zinc/79/71/64/858797164.db2.gz HVRZCABNMKVXRU-DLBZAZTESA-N 1 3 318.465 1.599 20 10 DDCDHO CCN1CCN(c2ccc(C[NH+]3CC(COC)C3)cc2)CC1 ZINC001140300613 860614773 /nfs/dbraw/zinc/61/47/73/860614773.db2.gz QOBWXZBZBHCNSA-UHFFFAOYSA-N 1 3 303.450 1.907 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+](C)CCC(=O)NC)cc2)CC1 ZINC001140304692 860616162 /nfs/dbraw/zinc/61/61/62/860616162.db2.gz YMUWGFNWLSRNPV-UHFFFAOYSA-N 1 3 318.465 1.396 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+](C)CCC(=O)NC)cc2)CC1 ZINC001140304692 860616169 /nfs/dbraw/zinc/61/61/69/860616169.db2.gz YMUWGFNWLSRNPV-UHFFFAOYSA-N 1 3 318.465 1.396 20 10 DDCDHO CN1CCN(c2ccc(CN[C@@H](C[NH3+])C3CC3)cc2F)CC1 ZINC001331419298 865075148 /nfs/dbraw/zinc/07/51/48/865075148.db2.gz PUAIMSNXFVNYPH-INIZCTEOSA-N 1 3 306.429 1.404 20 10 DDCDHO CN1CCN(c2ccc(C[NH2+][C@@H](CN)C3CC3)cc2F)CC1 ZINC001331419298 865075160 /nfs/dbraw/zinc/07/51/60/865075160.db2.gz PUAIMSNXFVNYPH-INIZCTEOSA-N 1 3 306.429 1.404 20 10 DDCDHO CN1CCCc2cc(CN3CCCC[C@](O)(C[NH3+])C3)ccc21 ZINC001205673883 871686906 /nfs/dbraw/zinc/68/69/06/871686906.db2.gz VGHYRJJIKWMPEH-SFHVURJKSA-N 1 3 303.450 1.745 20 10 DDCDHO CN1CCCc2cc(C[N@@H+]3CCCC[C@](O)(CN)C3)ccc21 ZINC001205673883 871686910 /nfs/dbraw/zinc/68/69/10/871686910.db2.gz VGHYRJJIKWMPEH-SFHVURJKSA-N 1 3 303.450 1.745 20 10 DDCDHO CN1CCCc2cc(C[N@H+]3CCCC[C@](O)(CN)C3)ccc21 ZINC001205673883 871686917 /nfs/dbraw/zinc/68/69/17/871686917.db2.gz VGHYRJJIKWMPEH-SFHVURJKSA-N 1 3 303.450 1.745 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)N(C)C)cc1 ZINC001341514732 871690118 /nfs/dbraw/zinc/69/01/18/871690118.db2.gz YGUPGUUMPJVFQX-MXASKKJJSA-N 1 3 316.449 1.222 20 10 DDCDHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001353528673 877403570 /nfs/dbraw/zinc/40/35/70/877403570.db2.gz QGNVRZXDNIYSKI-CJNGLKHVSA-N 1 3 321.469 1.344 20 10 DDCDHO CCOc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222104820 880255822 /nfs/dbraw/zinc/25/58/22/880255822.db2.gz MMBYLLTVRUKBIK-UHFFFAOYSA-N 1 3 305.422 1.318 20 10 DDCDHO CCOc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222104820 880255839 /nfs/dbraw/zinc/25/58/39/880255839.db2.gz MMBYLLTVRUKBIK-UHFFFAOYSA-N 1 3 305.422 1.318 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@H]4CC[C@]4([NH3+])C3)cc2)CC1 ZINC001235997168 889053268 /nfs/dbraw/zinc/05/32/68/889053268.db2.gz VAIOJROSNTVAAE-MJGOQNOKSA-N 1 3 314.477 1.752 20 10 DDCDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000364417550 279306128 /nfs/dbraw/zinc/30/61/28/279306128.db2.gz PEBAHIOQMIHYRU-MRXNPFEDSA-N 1 3 315.465 1.777 20 10 DDCDHO CCN1CCN(c2ccc(CN[C@H](C)C3C[NH2+]C3)cc2F)CC1 ZINC000817902316 702515185 /nfs/dbraw/zinc/51/51/85/702515185.db2.gz NNTKTSKCPLDFOV-CQSZACIVSA-N 1 3 320.456 1.665 20 10 DDCDHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817942090 702531409 /nfs/dbraw/zinc/53/14/09/702531409.db2.gz MJPDHXAWRIGXAS-FRFSOERESA-N 1 3 306.454 1.109 20 10 DDCDHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162728 702980461 /nfs/dbraw/zinc/98/04/61/702980461.db2.gz NTRNEQRLSJUMOQ-CPUCHLNUSA-N 1 3 318.465 1.741 20 10 DDCDHO CCc1cccc(C[NH+]2CCC(N3CC[C@H](O)C3)CC2)c1O ZINC000827700033 706052237 /nfs/dbraw/zinc/05/22/37/706052237.db2.gz OKVTULSZHLNOPR-KRWDZBQOSA-N 1 3 304.434 1.986 20 10 DDCDHO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1C ZINC000841099027 702346671 /nfs/dbraw/zinc/34/66/71/702346671.db2.gz BKSVBBHAVRSOCY-MRXNPFEDSA-N 1 3 315.421 1.896 20 10 DDCDHO Cc1cc(O)c(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1C ZINC000841099027 702346677 /nfs/dbraw/zinc/34/66/77/702346677.db2.gz BKSVBBHAVRSOCY-MRXNPFEDSA-N 1 3 315.421 1.896 20 10 DDCDHO C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000843119943 702823479 /nfs/dbraw/zinc/82/34/79/702823479.db2.gz PPRJFQBSYHSCMK-HOTGVXAUSA-N 1 3 302.466 1.621 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C[NH3+])N(C)C)cc1 ZINC001122328878 858756772 /nfs/dbraw/zinc/75/67/72/858756772.db2.gz YBRUGSJOTLGFGL-HNNXBMFYSA-N 1 3 306.454 1.456 20 10 DDCDHO COc1cc(O)c(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c(OC)c1 ZINC001141034820 860770181 /nfs/dbraw/zinc/77/01/81/860770181.db2.gz RPSYWUFJLBEILP-OLZOCXBDSA-N 1 3 306.406 1.793 20 10 DDCDHO COc1cc(O)c(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(OC)c1 ZINC001141034820 860770187 /nfs/dbraw/zinc/77/01/87/860770187.db2.gz RPSYWUFJLBEILP-OLZOCXBDSA-N 1 3 306.406 1.793 20 10 DDCDHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(O)cc1O ZINC001204275480 871034851 /nfs/dbraw/zinc/03/48/51/871034851.db2.gz SBZYBOFZCLFSJZ-UHFFFAOYSA-N 1 3 310.394 1.415 20 10 DDCDHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(O)cc1O ZINC001204275480 871034869 /nfs/dbraw/zinc/03/48/69/871034869.db2.gz SBZYBOFZCLFSJZ-UHFFFAOYSA-N 1 3 310.394 1.415 20 10 DDCDHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343048609 872481838 /nfs/dbraw/zinc/48/18/38/872481838.db2.gz WDBULBPESOCPQL-XKQJLSEDSA-N 1 3 320.481 1.845 20 10 DDCDHO C[C@H]([NH3+])CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001346512890 873784975 /nfs/dbraw/zinc/78/49/75/873784975.db2.gz BCSJUHNNGFUULH-BBRMVZONSA-N 1 3 321.469 1.392 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)N(C)CCC[NH3+])N(C)C)cc1 ZINC001353529101 877403639 /nfs/dbraw/zinc/40/36/39/877403639.db2.gz RTWLGCZMKRTNHC-INIZCTEOSA-N 1 3 321.469 1.346 20 10 DDCDHO C[NH2+]CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001262583706 900262450 /nfs/dbraw/zinc/26/24/50/900262450.db2.gz HFKUOMGDKLIVGF-INIZCTEOSA-N 1 3 321.469 1.264 20 10 DDCDHO COc1cccc(O)c1CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000762484814 700893941 /nfs/dbraw/zinc/89/39/41/700893941.db2.gz WJGKDVDMGLRJGQ-AWEZNQCLSA-N 1 3 308.422 1.991 20 10 DDCDHO COc1cccc(O)c1CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000762484814 700893943 /nfs/dbraw/zinc/89/39/43/700893943.db2.gz WJGKDVDMGLRJGQ-AWEZNQCLSA-N 1 3 308.422 1.991 20 10 DDCDHO C[NH+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768445210 701177233 /nfs/dbraw/zinc/17/72/33/701177233.db2.gz GAXFJHKUCJHNRF-INIZCTEOSA-N 1 3 306.406 1.592 20 10 DDCDHO COc1ccc(N2CCC([NH2+]C[C@@H]3CNCCCO3)CC2)cc1 ZINC000841087016 702341826 /nfs/dbraw/zinc/34/18/26/702341826.db2.gz RLKBFJOBIWGBAL-SFHVURJKSA-N 1 3 319.449 1.632 20 10 DDCDHO COc1ccc(N2CCC(NC[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000841087016 702341831 /nfs/dbraw/zinc/34/18/31/702341831.db2.gz RLKBFJOBIWGBAL-SFHVURJKSA-N 1 3 319.449 1.632 20 10 DDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc2c(c1)CCCN2C ZINC000817898867 702513050 /nfs/dbraw/zinc/51/30/50/702513050.db2.gz BUBOSGSFGMHZHL-RRQGHBQHSA-N 1 3 303.450 1.911 20 10 DDCDHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000922556540 714087901 /nfs/dbraw/zinc/08/79/01/714087901.db2.gz DOOVEEAJVGAXLE-QAPCUYQASA-N 1 3 302.466 1.621 20 10 DDCDHO CCN1CCN(c2ccc(CN[C@@H](C)C3C[NH2+]C3)cc2F)CC1 ZINC000817902315 702514459 /nfs/dbraw/zinc/51/44/59/702514459.db2.gz NNTKTSKCPLDFOV-AWEZNQCLSA-N 1 3 320.456 1.665 20 10 DDCDHO CN1CCN(c2ccc(CN[C@@]34CCC[C@@H]3[NH2+]CC4)cc2)CC1 ZINC000873229816 707779088 /nfs/dbraw/zinc/77/90/88/707779088.db2.gz GKYJJLMDUDFTKF-RBUKOAKNSA-N 1 3 314.477 1.813 20 10 DDCDHO COc1cc(Br)cc(CNC2CC([NH3+])C2)c1O ZINC000906510695 712343440 /nfs/dbraw/zinc/34/34/40/712343440.db2.gz QYUUTEPSONELSJ-UHFFFAOYSA-N 1 3 301.184 1.743 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)CCC(C)(C)[NH3+])N(C)C)cc1 ZINC001341620964 871741903 /nfs/dbraw/zinc/74/19/03/871741903.db2.gz DBURSOWRCHEDBT-MRXNPFEDSA-N 1 3 320.481 1.989 20 10 DDCDHO CN1CCN(c2ccc(CNC[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000841032220 702316859 /nfs/dbraw/zinc/31/68/59/702316859.db2.gz APDVIXKCLOEJON-QGZVFWFLSA-N 1 3 302.466 1.670 20 10 DDCDHO [O-]c1ccc(F)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841087416 702341745 /nfs/dbraw/zinc/34/17/45/702341745.db2.gz NRCLPSQVJJUCCW-UHFFFAOYSA-N 1 3 307.413 1.837 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000843105420 702819872 /nfs/dbraw/zinc/81/98/72/702819872.db2.gz DOMLKZUGZAIVBN-HDICACEKSA-N 1 3 314.477 1.765 20 10 DDCDHO COc1cc(CN2CCN3CC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259695 860341098 /nfs/dbraw/zinc/34/10/98/860341098.db2.gz AQNWYXRXPAMRQQ-HNNXBMFYSA-N 1 3 305.422 1.352 20 10 DDCDHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000321883469 698731137 /nfs/dbraw/zinc/73/11/37/698731137.db2.gz KBSOIPVTDRFAQE-GDBMZVCRSA-N 1 3 317.433 1.472 20 10 DDCDHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000321883469 698731139 /nfs/dbraw/zinc/73/11/39/698731139.db2.gz KBSOIPVTDRFAQE-GDBMZVCRSA-N 1 3 317.433 1.472 20 10 DDCDHO CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879647939 706749522 /nfs/dbraw/zinc/74/95/22/706749522.db2.gz RORHXLYGYDPZHC-CYBMUJFWSA-N 1 3 305.422 1.643 20 10 DDCDHO C[C@H]1[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000922556539 714087729 /nfs/dbraw/zinc/08/77/29/714087729.db2.gz DOOVEEAJVGAXLE-MAUKXSAKSA-N 1 3 302.466 1.621 20 10 DDCDHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001268693259 840675563 /nfs/dbraw/zinc/67/55/63/840675563.db2.gz VHKZKQZNWQSBTI-GOEBONIOSA-N 1 3 321.465 1.938 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)N(C)C)cc1 ZINC001122328686 858757141 /nfs/dbraw/zinc/75/71/41/858757141.db2.gz SEVVLOQWWHDUPZ-FUHWJXTLSA-N 1 3 318.465 1.614 20 10 DDCDHO CN1CCN(c2ccc(CN3CC(C)([NH+](C)C)C3)cc2)CC1 ZINC001139412338 860392074 /nfs/dbraw/zinc/39/20/74/860392074.db2.gz GWYPGOGSCRFFQI-UHFFFAOYSA-N 1 3 302.466 1.574 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(O)C3)cc2)CC1 ZINC001140301959 860615255 /nfs/dbraw/zinc/61/52/55/860615255.db2.gz FUYUMUIQYIWPPX-GOSISDBHSA-N 1 3 303.450 1.785 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)C3)cc2)CC1 ZINC001140301959 860615261 /nfs/dbraw/zinc/61/52/61/860615261.db2.gz FUYUMUIQYIWPPX-GOSISDBHSA-N 1 3 303.450 1.785 20 10 DDCDHO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)cc1C ZINC001321757209 867774102 /nfs/dbraw/zinc/77/41/02/867774102.db2.gz YIFONNKZBXSEFY-OAHLLOKOSA-N 1 3 321.465 1.938 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)N(C)C)cc1 ZINC001355639364 878657318 /nfs/dbraw/zinc/65/73/18/878657318.db2.gz JBDGTMKIVWDXOL-HOTGVXAUSA-N 1 3 318.465 1.470 20 10 DDCDHO C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC[NH+](C)CC1 ZINC000768449335 701178081 /nfs/dbraw/zinc/17/80/81/701178081.db2.gz GJFPKIROAWFLLT-MRXNPFEDSA-N 1 3 306.406 1.592 20 10 DDCDHO C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC[NH+](C)CC1 ZINC000768449335 701178084 /nfs/dbraw/zinc/17/80/84/701178084.db2.gz GJFPKIROAWFLLT-MRXNPFEDSA-N 1 3 306.406 1.592 20 10 DDCDHO COc1cc(Br)cc(C[NH2+][C@H](C)CC[NH3+])c1[O-] ZINC000841052409 702325704 /nfs/dbraw/zinc/32/57/04/702325704.db2.gz VKQJCXXBIPLYIK-MRVPVSSYSA-N 1 3 303.200 1.990 20 10 DDCDHO CCN1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273006 706882751 /nfs/dbraw/zinc/88/27/51/706882751.db2.gz LDPCDPZPDOIRKF-SJORKVTESA-N 1 3 318.465 1.743 20 10 DDCDHO CN1CCN(c2ccc(C[NH2+][C@@H]3CN4C[C@@H]3CCC4)cc2)CC1 ZINC000926855266 712913095 /nfs/dbraw/zinc/91/30/95/712913095.db2.gz SOLMEEXOLIJSBR-PKOBYXMFSA-N 1 3 314.477 1.622 20 10 DDCDHO COc1cc(C)cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1O ZINC000894660875 711231391 /nfs/dbraw/zinc/23/13/91/711231391.db2.gz UPCRBCAKJKBHQB-UHFFFAOYSA-N 1 3 321.465 1.825 20 10 DDCDHO Cc1cc(C[N@@H+]2CC[C@H](n3cc(CN)nn3)C2)ccc1N(C)C ZINC000923411059 714347342 /nfs/dbraw/zinc/34/73/42/714347342.db2.gz MNYMFXFWBTVTGG-INIZCTEOSA-N 1 3 314.437 1.558 20 10 DDCDHO Cc1cc(C[N@H+]2CC[C@H](n3cc(CN)nn3)C2)ccc1N(C)C ZINC000923411059 714347346 /nfs/dbraw/zinc/34/73/46/714347346.db2.gz MNYMFXFWBTVTGG-INIZCTEOSA-N 1 3 314.437 1.558 20 10 DDCDHO Cc1ccc(C)c(CN2CC3(CCN3CC[NH+](C)C)C2)c1O ZINC001275968856 854040067 /nfs/dbraw/zinc/04/00/67/854040067.db2.gz PZNIQOLEGZQUBH-UHFFFAOYSA-N 1 3 303.450 1.831 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC001122328755 858757231 /nfs/dbraw/zinc/75/72/31/858757231.db2.gz VBBLJTNKWPUECF-IXDOHACOSA-N 1 3 318.465 1.599 20 10 DDCDHO [NH3+][C@H](CC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1[O-] ZINC001220163052 878765194 /nfs/dbraw/zinc/76/51/94/878765194.db2.gz OKGHPPBLJILXCS-DDUZABMNSA-N 1 3 317.433 1.821 20 10 DDCDHO COc1ccc(N2CCN(CCN[C@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000817893533 702510754 /nfs/dbraw/zinc/51/07/54/702510754.db2.gz GNVQCOZALSZFOP-ROUUACIJSA-N 1 3 318.465 1.287 20 10 DDCDHO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)cc1C ZINC001129442708 766897105 /nfs/dbraw/zinc/89/71/05/766897105.db2.gz DFEXKZFUJKZJKI-QGZVFWFLSA-N 1 3 319.449 1.550 20 10 DDCDHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001148642793 773545350 /nfs/dbraw/zinc/54/53/50/773545350.db2.gz NREYRDRXTFSLGY-UHFFFAOYSA-N 1 3 307.438 1.551 20 10 DDCDHO CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC([NH3+])C1 ZINC001328414111 862959754 /nfs/dbraw/zinc/95/97/54/862959754.db2.gz ZWVLXUCAJAPZLE-UHFFFAOYSA-N 1 3 306.429 1.499 20 10 DDCDHO COc1cc(CN2CC(N3CCCC3)C2)cc(C[NH+](C)C)c1O ZINC001139257640 860339427 /nfs/dbraw/zinc/33/94/27/860339427.db2.gz ZRPFMXLAPDCXLK-UHFFFAOYSA-N 1 3 319.449 1.742 20 10 DDCDHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2cccc(O)c2C1 ZINC001160872622 866160957 /nfs/dbraw/zinc/16/09/57/866160957.db2.gz NEJMRAWRMFYVDE-OAHLLOKOSA-N 1 3 315.417 1.151 20 10 DDCDHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2cccc(O)c2C1 ZINC001160872622 866160969 /nfs/dbraw/zinc/16/09/69/866160969.db2.gz NEJMRAWRMFYVDE-OAHLLOKOSA-N 1 3 315.417 1.151 20 10 DDCDHO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001161134669 866397915 /nfs/dbraw/zinc/39/79/15/866397915.db2.gz ILEXURVWQMQZLR-INIZCTEOSA-N 1 3 306.454 1.557 20 10 DDCDHO Nc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC001335288880 868205850 /nfs/dbraw/zinc/20/58/50/868205850.db2.gz IZSVABRQORYPBM-CYBMUJFWSA-N 1 3 302.344 1.195 20 10 DDCDHO C[C@H](C[NH3+])CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336892535 869203468 /nfs/dbraw/zinc/20/34/68/869203468.db2.gz BRKHAPPWGZMYAB-CZUORRHYSA-N 1 3 321.469 1.249 20 10 DDCDHO CC(C)[NH2+]CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341621199 871741023 /nfs/dbraw/zinc/74/10/23/871741023.db2.gz FHDFHFULQYZRLP-INIZCTEOSA-N 1 3 306.454 1.470 20 10 DDCDHO COC(=O)Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c([O-])c1 ZINC001222553489 880556379 /nfs/dbraw/zinc/55/63/79/880556379.db2.gz UOOODFOTSZYOHA-UHFFFAOYSA-N 1 3 310.369 1.371 20 10 DDCDHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179633719 697439903 /nfs/dbraw/zinc/43/99/03/697439903.db2.gz GNEUNIFOZJKWLO-QGZVFWFLSA-N 1 3 303.450 1.907 20 10 DDCDHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179633719 697439905 /nfs/dbraw/zinc/43/99/05/697439905.db2.gz GNEUNIFOZJKWLO-QGZVFWFLSA-N 1 3 303.450 1.907 20 10 DDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc3c2CNC3)cc1 ZINC000852790726 704124723 /nfs/dbraw/zinc/12/47/23/704124723.db2.gz AQSHXUMZUSUDSH-SFHVURJKSA-N 1 3 324.428 1.786 20 10 DDCDHO CC(C)[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N(C)C ZINC000832267085 706881744 /nfs/dbraw/zinc/88/17/44/706881744.db2.gz MOTOJTNBRUQQDP-HOTGVXAUSA-N 1 3 306.454 1.455 20 10 DDCDHO CCCN(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251903 710142498 /nfs/dbraw/zinc/14/24/98/710142498.db2.gz HYQRANAWNJOGOC-KRWDZBQOSA-N 1 3 320.481 1.813 20 10 DDCDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c([O-])cccc1OC)C2 ZINC000903979091 711356727 /nfs/dbraw/zinc/35/67/27/711356727.db2.gz VHNBGZQZUSDRAM-JKDFXYPNSA-N 1 3 320.389 1.113 20 10 DDCDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c([O-])cccc1OC)C2 ZINC000903979091 711356734 /nfs/dbraw/zinc/35/67/34/711356734.db2.gz VHNBGZQZUSDRAM-JKDFXYPNSA-N 1 3 320.389 1.113 20 10 DDCDHO COc1cccc([O-])c1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904392280 711851446 /nfs/dbraw/zinc/85/14/46/711851446.db2.gz OPQSRAALVCPVGO-ZDUSSCGKSA-N 1 3 306.406 1.731 20 10 DDCDHO CN(C)c1ccc(CN2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)cc1 ZINC001275833363 853838103 /nfs/dbraw/zinc/83/81/03/853838103.db2.gz HXWPGTZTBYZXKL-KDURUIRLSA-N 1 3 316.493 1.963 20 10 DDCDHO Nc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC001335288881 868205600 /nfs/dbraw/zinc/20/56/00/868205600.db2.gz IZSVABRQORYPBM-ZDUSSCGKSA-N 1 3 302.344 1.195 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC001346711279 873857752 /nfs/dbraw/zinc/85/77/52/873857752.db2.gz KPWJETOIVGJUDO-GDBMZVCRSA-N 1 3 319.453 1.098 20 10 DDCDHO [NH3+][C@H](CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1[O-] ZINC001219609821 878391331 /nfs/dbraw/zinc/39/13/31/878391331.db2.gz FJUKVJHNUCZAJM-MFKMUULPSA-N 1 3 317.311 1.193 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@@H]4CC[C@]4([NH3+])C3)cc2)CC1 ZINC001235995910 889051760 /nfs/dbraw/zinc/05/17/60/889051760.db2.gz ROLSDVIQPMOADD-WMZOPIPTSA-N 1 3 300.450 1.362 20 10 DDCDHO CN(C)C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)c2ccccc2O1 ZINC000638130800 422694068 /nfs/dbraw/zinc/69/40/68/422694068.db2.gz IXUKXZGJODTCCB-UONOGXRCSA-N 1 3 301.390 1.390 20 10 DDCDHO COc1ccc(N2CCN(CCN[C@@H](C)C[C@H](C)[NH3+])CC2)cc1 ZINC000817892762 702510669 /nfs/dbraw/zinc/51/06/69/702510669.db2.gz CEKVLQVTVZHGRP-HOTGVXAUSA-N 1 3 320.481 1.533 20 10 DDCDHO COc1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000866697274 706767598 /nfs/dbraw/zinc/76/75/98/706767598.db2.gz LSRXDFPPQYHDBQ-OAHLLOKOSA-N 1 3 319.449 1.825 20 10 DDCDHO CN(C)c1ccc(/C=C\C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000835040825 707161392 /nfs/dbraw/zinc/16/13/92/707161392.db2.gz SIYVHJVUFJEUNT-PLNGDYQASA-N 1 3 303.450 1.812 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)[C@H](O)C3)cc2)CC1 ZINC001140302309 860615071 /nfs/dbraw/zinc/61/50/71/860615071.db2.gz NCKQAYQTTHXOJX-QZTJIDSGSA-N 1 3 321.440 1.733 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@H](O)C3)cc2)CC1 ZINC001140302309 860615075 /nfs/dbraw/zinc/61/50/75/860615075.db2.gz NCKQAYQTTHXOJX-QZTJIDSGSA-N 1 3 321.440 1.733 20 10 DDCDHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001160889078 866170319 /nfs/dbraw/zinc/17/03/19/866170319.db2.gz BHFXHSTYIJIARY-MRXNPFEDSA-N 1 3 321.465 1.940 20 10 DDCDHO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205591339 871646699 /nfs/dbraw/zinc/64/66/99/871646699.db2.gz KRWUJCNQOIXIDL-QGZVFWFLSA-N 1 3 324.396 1.761 20 10 DDCDHO COC(=O)Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205591339 871646719 /nfs/dbraw/zinc/64/67/19/871646719.db2.gz KRWUJCNQOIXIDL-QGZVFWFLSA-N 1 3 324.396 1.761 20 10 DDCDHO CCOC(=O)[C@]12C[N@H+](Cc3cc(O)ccc3O)C[C@H]1CNCC2 ZINC001236037649 889068660 /nfs/dbraw/zinc/06/86/60/889068660.db2.gz AWKHZFNESKPPHQ-CXAGYDPISA-N 1 3 320.389 1.072 20 10 DDCDHO CCOC(=O)[C@]12C[N@@H+](Cc3cc(O)ccc3O)C[C@H]1CNCC2 ZINC001236037649 889068670 /nfs/dbraw/zinc/06/86/70/889068670.db2.gz AWKHZFNESKPPHQ-CXAGYDPISA-N 1 3 320.389 1.072 20 10 DDCDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc2c(c1)CCCN2C ZINC000817898870 702513885 /nfs/dbraw/zinc/51/38/85/702513885.db2.gz BUBOSGSFGMHZHL-XKQJLSEDSA-N 1 3 303.450 1.911 20 10 DDCDHO CC(C)[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N(C)C ZINC000844162700 702980505 /nfs/dbraw/zinc/98/05/05/702980505.db2.gz MOTOJTNBRUQQDP-HZPDHXFCSA-N 1 3 306.454 1.455 20 10 DDCDHO COc1cc(CNC[C@@]2(O)CC[N@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850246952 703717102 /nfs/dbraw/zinc/71/71/02/703717102.db2.gz NBVWXSUFRQYSCD-SFHVURJKSA-N 1 3 322.449 1.855 20 10 DDCDHO COc1cc(CNC[C@@]2(O)CC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850246952 703717104 /nfs/dbraw/zinc/71/71/04/703717104.db2.gz NBVWXSUFRQYSCD-SFHVURJKSA-N 1 3 322.449 1.855 20 10 DDCDHO CN1CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000863482826 705938440 /nfs/dbraw/zinc/93/84/40/705938440.db2.gz LZDLZNHYRDQZCH-GOSISDBHSA-N 1 3 314.477 1.813 20 10 DDCDHO Oc1cc2c(cc1C[NH2+][C@H]1CNCC3(CCOCC3)C1)OCO2 ZINC000903973841 711353655 /nfs/dbraw/zinc/35/36/55/711353655.db2.gz IZHVPPWOTASPLR-CYBMUJFWSA-N 1 3 320.389 1.369 20 10 DDCDHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326232933 861217721 /nfs/dbraw/zinc/21/77/21/861217721.db2.gz UGHATQCCATWMTH-HOCLYGCPSA-N 1 3 320.456 1.747 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)NCCC[NH3+])N(C)C)cc1 ZINC001335537416 868369887 /nfs/dbraw/zinc/36/98/87/868369887.db2.gz KRYYUPZPBRWKOT-HNNXBMFYSA-N 1 3 307.442 1.003 20 10 DDCDHO C[C@H](C[NH3+])N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335707625 868487771 /nfs/dbraw/zinc/48/77/71/868487771.db2.gz JLEHWWGWJJNWNE-CZUORRHYSA-N 1 3 321.469 1.344 20 10 DDCDHO CC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001355640416 878656689 /nfs/dbraw/zinc/65/66/89/878656689.db2.gz OYMOMZCMQVURJD-CJNGLKHVSA-N 1 3 306.454 1.470 20 10 DDCDHO CN(C)C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)c2ccccc2O1 ZINC000638130801 422693021 /nfs/dbraw/zinc/69/30/21/422693021.db2.gz IXUKXZGJODTCCB-ZIAGYGMSSA-N 1 3 301.390 1.390 20 10 DDCDHO Cc1cc(N(C)C)ccc1CNCCC[NH+]1CCC(O)CC1 ZINC000840931485 702285038 /nfs/dbraw/zinc/28/50/38/702285038.db2.gz XBCUKHKXVSUSMM-UHFFFAOYSA-N 1 3 305.466 1.997 20 10 DDCDHO CN(C)c1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122773 702824376 /nfs/dbraw/zinc/82/43/76/702824376.db2.gz ULHLNIXYGSEUMU-KRWDZBQOSA-N 1 3 318.465 1.572 20 10 DDCDHO Cc1cc(C)c(CNC(=O)[C@@H](N)CCCC[NH+](C)C)c(O)c1 ZINC001220825575 879291382 /nfs/dbraw/zinc/29/13/82/879291382.db2.gz MZYMEYRQBHEQLR-HNNXBMFYSA-N 1 3 307.438 1.684 20 10 DDCDHO C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000841101154 702346878 /nfs/dbraw/zinc/34/68/78/702346878.db2.gz PPQRAWSXZKLOKT-RDJZCZTQSA-N 1 3 303.450 1.940 20 10 DDCDHO CN(C)c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000843124087 702824628 /nfs/dbraw/zinc/82/46/28/702824628.db2.gz YBSBISBUBBSTIA-HNNXBMFYSA-N 1 3 306.429 1.371 20 10 DDCDHO COc1cc(Br)cc(CN[C@H]2C[C@H]([NH3+])C2)c1O ZINC000906508592 712343131 /nfs/dbraw/zinc/34/31/31/712343131.db2.gz QYUUTEPSONELSJ-MGCOHNPYSA-N 1 3 301.184 1.743 20 10 DDCDHO C[C@H]1[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000922556541 714087645 /nfs/dbraw/zinc/08/76/45/714087645.db2.gz DOOVEEAJVGAXLE-YJBOKZPZSA-N 1 3 302.466 1.621 20 10 DDCDHO CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923320252 714311835 /nfs/dbraw/zinc/31/18/35/714311835.db2.gz WCIRWQHTYBPLMT-SZMVWBNQSA-N 1 3 303.450 1.959 20 10 DDCDHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001130205582 767364107 /nfs/dbraw/zinc/36/41/07/767364107.db2.gz PNBGJZZSHGWLLT-OAHLLOKOSA-N 1 3 307.438 1.550 20 10 DDCDHO [NH3+]C[C@@]1(F)CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2[O-])CC1 ZINC001157743021 864094085 /nfs/dbraw/zinc/09/40/85/864094085.db2.gz FSHKHFVRBLBWQI-CZUORRHYSA-N 1 3 309.385 1.462 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)CC[NH2+]C2CC2)N(C)C)cc1 ZINC001341621341 871741444 /nfs/dbraw/zinc/74/14/44/871741444.db2.gz GPCZZBKGZAIJOJ-QGZVFWFLSA-N 1 3 318.465 1.614 20 10 DDCDHO c1ccn(-c2ccc(-c3nnc(C45CNCC4C[NH2+]C5)o3)cc2)c1 ZINC001217707884 877285080 /nfs/dbraw/zinc/28/50/80/877285080.db2.gz UFQQRQHAVMSKPC-UHFFFAOYSA-N 1 3 321.384 1.588 20 10 DDCDHO COc1cc(O)c(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1OC ZINC001236750253 889328215 /nfs/dbraw/zinc/32/82/15/889328215.db2.gz DWHHSRDGLVEUCY-OCCSQVGLSA-N 1 3 306.406 1.793 20 10 DDCDHO COc1cc(O)c(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1OC ZINC001236750253 889328226 /nfs/dbraw/zinc/32/82/26/889328226.db2.gz DWHHSRDGLVEUCY-OCCSQVGLSA-N 1 3 306.406 1.793 20 10 DDCDHO Nc1ccc(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001245987918 892309648 /nfs/dbraw/zinc/30/96/48/892309648.db2.gz NFLWGSMKZPQOPC-DLBZAZTESA-N 1 3 321.371 1.568 20 10 DDCDHO CCOc1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1O ZINC000282493840 409055897 /nfs/dbraw/zinc/05/58/97/409055897.db2.gz WESFANRTXBYVIZ-UHFFFAOYSA-N 1 3 321.465 1.907 20 10 DDCDHO CN(C)c1ccc(CNC(=O)CN2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923481138 714369720 /nfs/dbraw/zinc/36/97/20/714369720.db2.gz GBUCJNFOLLOMGT-OAHLLOKOSA-N 1 3 304.438 1.040 20 10 DDCDHO CN1CCN(c2ccc(CN3CCC[C@H]([NH3+])CC3)c(F)c2)CC1 ZINC001205124448 871379243 /nfs/dbraw/zinc/37/92/43/871379243.db2.gz RTFJMYBKDLLSRL-INIZCTEOSA-N 1 3 320.456 1.891 20 10 DDCDHO C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120665284 782082278 /nfs/dbraw/zinc/08/22/78/782082278.db2.gz PEFUARDOXKPPDU-WFASDCNBSA-N 1 3 307.442 1.002 20 10 DDCDHO CC[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)N(C)C ZINC000891248150 710141063 /nfs/dbraw/zinc/14/10/63/710141063.db2.gz WAHHKGBKKSDEHB-SJORKVTESA-N 1 3 320.481 1.812 20 10 DDCDHO CCN1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139253412 860337523 /nfs/dbraw/zinc/33/75/23/860337523.db2.gz UWSMORZTOOPAGE-UHFFFAOYSA-N 1 3 307.438 1.600 20 10 DDCDHO COc1cc(CN2CCCC[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255624 860338910 /nfs/dbraw/zinc/33/89/10/860338910.db2.gz QQXUOWUQEFXITB-OAHLLOKOSA-N 1 3 308.422 1.809 20 10 DDCDHO COc1ccc(N2CC[C@H]([NH2+]C[C@H](O)CN3CCCC3)C2)cc1 ZINC001335458872 868314129 /nfs/dbraw/zinc/31/41/29/868314129.db2.gz DERVVVBPZOETIP-RDJZCZTQSA-N 1 3 319.449 1.320 20 10 DDCDHO C[NH2+]C[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843056230 702809560 /nfs/dbraw/zinc/80/95/60/702809560.db2.gz WVHJBTFWJIOHHQ-SFHVURJKSA-N 1 3 302.466 1.622 20 10 DDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3c2CNC3)cc1 ZINC000852790725 704124590 /nfs/dbraw/zinc/12/45/90/704124590.db2.gz AQSHXUMZUSUDSH-GOSISDBHSA-N 1 3 324.428 1.786 20 10 DDCDHO CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834508700 707075399 /nfs/dbraw/zinc/07/53/99/707075399.db2.gz PRHAXYIJWPOPJS-MRXNPFEDSA-N 1 3 303.450 1.997 20 10 DDCDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925778352 714934093 /nfs/dbraw/zinc/93/40/93/714934093.db2.gz USRRVAOLYRFONI-UONOGXRCSA-N 1 3 318.465 1.604 20 10 DDCDHO [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212764 878823543 /nfs/dbraw/zinc/82/35/43/878823543.db2.gz VQLAXCDNCWAZSR-LBPRGKRZSA-N 1 3 322.796 1.276 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@H]4CC[C@]4([NH3+])C3)cc2)CC1 ZINC001235995895 889053051 /nfs/dbraw/zinc/05/30/51/889053051.db2.gz ROLSDVIQPMOADD-AEFFLSMTSA-N 1 3 300.450 1.362 20 10 DDCDHO C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297631727 409937219 /nfs/dbraw/zinc/93/72/19/409937219.db2.gz JHYYYJBINBOZHN-INIZCTEOSA-N 1 3 303.450 1.995 20 10 DDCDHO Cc1cccc(CNCC(=O)NCC[NH+]2CCCCCC2)c1O ZINC000816620931 702128912 /nfs/dbraw/zinc/12/89/12/702128912.db2.gz RILSKJWUHUTZGA-UHFFFAOYSA-N 1 3 319.449 1.782 20 10 DDCDHO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000841099588 702345768 /nfs/dbraw/zinc/34/57/68/702345768.db2.gz MMRUFLGADZIJKL-OAHLLOKOSA-N 1 3 301.394 1.588 20 10 DDCDHO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000841099588 702345774 /nfs/dbraw/zinc/34/57/74/702345774.db2.gz MMRUFLGADZIJKL-OAHLLOKOSA-N 1 3 301.394 1.588 20 10 DDCDHO CN(C)c1ccc([C@H]([NH3+])CN[C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000817944332 702532704 /nfs/dbraw/zinc/53/27/04/702532704.db2.gz ZHLRYJRWQLEZGY-SQNIBIBYSA-N 1 3 318.465 1.109 20 10 DDCDHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001130427353 767515467 /nfs/dbraw/zinc/51/54/67/767515467.db2.gz MRJSDNZLWJLFPU-UHFFFAOYSA-N 1 3 321.465 1.940 20 10 DDCDHO COc1ccc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c([O-])c1 ZINC001275275555 852944412 /nfs/dbraw/zinc/94/44/12/852944412.db2.gz KWDSNIBLXBPPTC-WMLDXEAASA-N 1 3 319.449 1.469 20 10 DDCDHO COc1ccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c([O-])c1 ZINC001275275555 852944415 /nfs/dbraw/zinc/94/44/15/852944415.db2.gz KWDSNIBLXBPPTC-WMLDXEAASA-N 1 3 319.449 1.469 20 10 DDCDHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122414059 858799320 /nfs/dbraw/zinc/79/93/20/858799320.db2.gz KLVRCFWSJVYTTC-FUHWJXTLSA-N 1 3 320.481 1.989 20 10 DDCDHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC001138499735 860121043 /nfs/dbraw/zinc/12/10/43/860121043.db2.gz GTKYUZQEFZPHQM-HDICACEKSA-N 1 3 315.461 1.907 20 10 DDCDHO CCN1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC001138499735 860121047 /nfs/dbraw/zinc/12/10/47/860121047.db2.gz GTKYUZQEFZPHQM-HDICACEKSA-N 1 3 315.461 1.907 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC001342293251 872130042 /nfs/dbraw/zinc/13/00/42/872130042.db2.gz PQVDYTKDFORIRV-RDJZCZTQSA-N 1 3 318.465 1.614 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC001343046706 872481898 /nfs/dbraw/zinc/48/18/98/872481898.db2.gz FPRNOQZDGKEHHR-SJORKVTESA-N 1 3 318.465 1.614 20 10 DDCDHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001256558854 897477427 /nfs/dbraw/zinc/47/74/27/897477427.db2.gz YLRURJXOALLZDC-INIZCTEOSA-N 1 3 308.422 1.984 20 10 DDCDHO CCN(CC)c1ccc(CN2CCC(O)(C[NH3+])CC2)cc1F ZINC000841108103 702350028 /nfs/dbraw/zinc/35/00/28/702350028.db2.gz NYZHXLXMNCDJTO-UHFFFAOYSA-N 1 3 309.429 1.958 20 10 DDCDHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902516123 710778814 /nfs/dbraw/zinc/77/88/14/710778814.db2.gz BPJHFYGBDXBMIQ-OLMNPRSZSA-N 1 3 304.482 1.943 20 10 DDCDHO COCCC[NH+]1CCC(NC[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001172242836 776730331 /nfs/dbraw/zinc/73/03/31/776730331.db2.gz HSCSMXDFPACBES-KRWDZBQOSA-N 1 3 324.421 1.222 20 10 DDCDHO COc1ccc(N2CC[C@H]([NH2+]C[C@@H](O)CN3CCCC3)C2)cc1 ZINC001335458870 868314440 /nfs/dbraw/zinc/31/44/40/868314440.db2.gz DERVVVBPZOETIP-DOTOQJQBSA-N 1 3 319.449 1.320 20 10 DDCDHO C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335707623 868488866 /nfs/dbraw/zinc/48/88/66/868488866.db2.gz JLEHWWGWJJNWNE-BBRMVZONSA-N 1 3 321.469 1.344 20 10 DDCDHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343046767 872480709 /nfs/dbraw/zinc/48/07/09/872480709.db2.gz GHRVVEHJIHSQFQ-CVEARBPZSA-N 1 3 306.454 1.470 20 10 DDCDHO C[NH2+]CCc1ccccc1C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000518757491 421665181 /nfs/dbraw/zinc/66/51/81/421665181.db2.gz BYHOBOIRDYBCHM-MRXNPFEDSA-N 1 3 309.413 1.979 20 10 DDCDHO CCN1CCN(c2ccc(CN3CCC[NH2+]CC3)cc2)CC1 ZINC001204666955 738890497 /nfs/dbraw/zinc/89/04/97/738890497.db2.gz ASXWKUHJWATZCP-UHFFFAOYSA-N 1 3 302.466 1.624 20 10 DDCDHO CN1CCN(c2ccc(CN3CC[C@H](C[NH3+])C3)cc2F)CC1 ZINC001326202039 861186764 /nfs/dbraw/zinc/18/67/64/861186764.db2.gz ZLSXINGMTMOAQD-OAHLLOKOSA-N 1 3 306.429 1.358 20 10 DDCDHO C[NH2+]C1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC001341513375 871688320 /nfs/dbraw/zinc/68/83/20/871688320.db2.gz QEQRWULEYMYSLN-MRXNPFEDSA-N 1 3 318.465 1.614 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)N(C)C)cc1 ZINC001341623897 871741746 /nfs/dbraw/zinc/74/17/46/871741746.db2.gz UCHYAQVNTJFQGM-IJEWVQPXSA-N 1 3 304.438 1.209 20 10 DDCDHO [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212763 878825005 /nfs/dbraw/zinc/82/50/05/878825005.db2.gz VQLAXCDNCWAZSR-GFCCVEGCSA-N 1 3 322.796 1.276 20 10 DDCDHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120574765 782031192 /nfs/dbraw/zinc/03/11/92/782031192.db2.gz XVJNJKKHZASORV-CZUORRHYSA-N 1 3 321.469 1.262 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C[NH3+])N(C)C)cc1 ZINC001120675685 782088488 /nfs/dbraw/zinc/08/84/88/782088488.db2.gz XVNVVGBNSJYWRP-OAHLLOKOSA-N 1 3 321.469 1.392 20 10 DDCDHO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843058812 702809960 /nfs/dbraw/zinc/80/99/60/702809960.db2.gz YQZAXHHMLYFDSN-JKSUJKDBSA-N 1 3 302.466 1.621 20 10 DDCDHO CN1CCN(c2ccc(CNCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000853246703 704224600 /nfs/dbraw/zinc/22/46/00/704224600.db2.gz QHXKMWOQQJGJPW-UHFFFAOYSA-N 1 3 300.450 1.280 20 10 DDCDHO CCN1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273005 706882733 /nfs/dbraw/zinc/88/27/33/706882733.db2.gz LDPCDPZPDOIRKF-IRXDYDNUSA-N 1 3 318.465 1.743 20 10 DDCDHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834508600 707075451 /nfs/dbraw/zinc/07/54/51/707075451.db2.gz ODWALXLSQLLLLO-HOCLYGCPSA-N 1 3 303.450 1.995 20 10 DDCDHO COc1cc(CN2CCN(C)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139257487 860339332 /nfs/dbraw/zinc/33/93/32/860339332.db2.gz CEWYMRNWMTVIIK-CYBMUJFWSA-N 1 3 307.438 1.598 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3C)cc2)CC1 ZINC001140301855 860614895 /nfs/dbraw/zinc/61/48/95/860614895.db2.gz BMXNYGMVYMQLLH-QAPCUYQASA-N 1 3 303.450 1.784 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H](O)C[C@H]3C)cc2)CC1 ZINC001140301855 860614899 /nfs/dbraw/zinc/61/48/99/860614899.db2.gz BMXNYGMVYMQLLH-QAPCUYQASA-N 1 3 303.450 1.784 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)CCC(C)(C)[NH3+])N(C)C)cc1 ZINC001341620963 871740970 /nfs/dbraw/zinc/74/09/70/871740970.db2.gz DBURSOWRCHEDBT-INIZCTEOSA-N 1 3 320.481 1.989 20 10 DDCDHO Oc1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1O ZINC001256684522 897537472 /nfs/dbraw/zinc/53/74/72/897537472.db2.gz RKTQLSBZUSNLBQ-UHFFFAOYSA-N 1 3 306.406 1.831 20 10 DDCDHO CCN(C)C[C@H](O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000847007301 703364935 /nfs/dbraw/zinc/36/49/35/703364935.db2.gz DKXLGRGNDCKVMF-INIZCTEOSA-N 1 3 309.454 1.376 20 10 DDCDHO CCN(C)C[C@H](O)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000847007301 703364936 /nfs/dbraw/zinc/36/49/36/703364936.db2.gz DKXLGRGNDCKVMF-INIZCTEOSA-N 1 3 309.454 1.376 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@@H]4CCC[C@]4([NH3+])C3)cc2)CC1 ZINC000857226248 704566052 /nfs/dbraw/zinc/56/60/52/704566052.db2.gz JAYUETDJVOHKSC-HKUYNNGSSA-N 1 3 314.477 1.752 20 10 DDCDHO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000878454904 706392830 /nfs/dbraw/zinc/39/28/30/706392830.db2.gz KPQORWBHSVVCGE-AWEZNQCLSA-N 1 3 318.465 1.614 20 10 DDCDHO CC(C)N(C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001199951347 748079043 /nfs/dbraw/zinc/07/90/43/748079043.db2.gz HYLIOWCGWLUDGE-UHFFFAOYSA-N 1 3 304.482 1.868 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)NCCCC[NH3+])N(C)C)cc1 ZINC001346645791 873836394 /nfs/dbraw/zinc/83/63/94/873836394.db2.gz ADDSTVAFVRMLAK-INIZCTEOSA-N 1 3 321.469 1.393 20 10 DDCDHO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000268417107 277585578 /nfs/dbraw/zinc/58/55/78/277585578.db2.gz KADDLCFIFDJXIL-UHFFFAOYSA-N 1 3 322.405 1.446 20 10 DDCDHO CN1CCN(CC[NH2+]Cc2cc3c(cc2O)OCO3)CC1(C)C ZINC000799345806 700137882 /nfs/dbraw/zinc/13/78/82/700137882.db2.gz PKHYGOPLZODBMK-UHFFFAOYSA-N 1 3 321.421 1.237 20 10 DDCDHO Cc1cccc(O)c1CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876715007 705834429 /nfs/dbraw/zinc/83/44/29/705834429.db2.gz ISKDRILAUYKVFR-MRXNPFEDSA-N 1 3 303.450 1.912 20 10 DDCDHO Cc1cccc(O)c1CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876715007 705834434 /nfs/dbraw/zinc/83/44/34/705834434.db2.gz ISKDRILAUYKVFR-MRXNPFEDSA-N 1 3 303.450 1.912 20 10 DDCDHO CN1CCN(c2ccc(C[NH2+]CCCN3CCC3)cc2F)CC1 ZINC001326848217 861655378 /nfs/dbraw/zinc/65/53/78/861655378.db2.gz YCJOAMZYGVPUOQ-UHFFFAOYSA-N 1 3 320.456 1.763 20 10 DDCDHO CN1CCN(c2ccc(CNCCC[NH+]3CCC3)cc2F)CC1 ZINC001326848217 861655391 /nfs/dbraw/zinc/65/53/91/861655391.db2.gz YCJOAMZYGVPUOQ-UHFFFAOYSA-N 1 3 320.456 1.763 20 10 DDCDHO [NH3+]Cc1ccc2c(c1)N(C(=O)c1cccc3c1CCNC3)CCO2 ZINC000638808135 423135475 /nfs/dbraw/zinc/13/54/75/423135475.db2.gz UKTMYWMRGKJGHC-UHFFFAOYSA-N 1 3 323.396 1.830 20 10 DDCDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817890803 702509579 /nfs/dbraw/zinc/50/95/79/702509579.db2.gz ZLJLBDJFDUTDEM-LZWOXQAQSA-N 1 3 318.465 1.604 20 10 DDCDHO C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000843049196 702808301 /nfs/dbraw/zinc/80/83/01/702808301.db2.gz JDARJCMDXVQKIQ-HOTGVXAUSA-N 1 3 302.466 1.621 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(N)=O)C3)cc2)CC1 ZINC001140304306 860614539 /nfs/dbraw/zinc/61/45/39/860614539.db2.gz MURAXCXVUJBQFK-MRXNPFEDSA-N 1 3 316.449 1.136 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C(N)=O)C3)cc2)CC1 ZINC001140304306 860614543 /nfs/dbraw/zinc/61/45/43/860614543.db2.gz MURAXCXVUJBQFK-MRXNPFEDSA-N 1 3 316.449 1.136 20 10 DDCDHO CCN1CCN(c2ccc(CN3CC(C)([NH+](C)C)C3)cc2)CC1 ZINC001140304679 860616410 /nfs/dbraw/zinc/61/64/10/860616410.db2.gz YCYBUYHXDIPHIU-UHFFFAOYSA-N 1 3 316.493 1.964 20 10 DDCDHO CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336924700 869219667 /nfs/dbraw/zinc/21/96/67/869219667.db2.gz XVTQTQLOVMHPRD-GDBMZVCRSA-N 1 3 321.469 1.392 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@@H](F)[C@@H]([NH3+])C3)cc2)CC1 ZINC001204823254 871248213 /nfs/dbraw/zinc/24/82/13/871248213.db2.gz HTIDCQXKWBPWHR-SJORKVTESA-N 1 3 306.429 1.310 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)N(C)C)cc1 ZINC001341514734 871690535 /nfs/dbraw/zinc/69/05/35/871690535.db2.gz YGUPGUUMPJVFQX-SIXLDLHFSA-N 1 3 316.449 1.222 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C[NH2+]C2CC2)N(C)C)cc1 ZINC001342291480 872130525 /nfs/dbraw/zinc/13/05/25/872130525.db2.gz HXKKZUVMULLHAT-INIZCTEOSA-N 1 3 304.438 1.224 20 10 DDCDHO Oc1cc2c(cc1C[NH2+][C@@H]1CNCC3(CCOCC3)C1)OCO2 ZINC000903973843 711353371 /nfs/dbraw/zinc/35/33/71/711353371.db2.gz IZHVPPWOTASPLR-ZDUSSCGKSA-N 1 3 320.389 1.369 20 10 DDCDHO C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000925762657 714930281 /nfs/dbraw/zinc/93/02/81/714930281.db2.gz MXQZAUQNJFRFSK-QAPCUYQASA-N 1 3 302.466 1.669 20 10 DDCDHO C[C@@H](CC[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120630411 744357585 /nfs/dbraw/zinc/35/75/85/744357585.db2.gz AQRKESOEOZULLE-BBRMVZONSA-N 1 3 321.469 1.392 20 10 DDCDHO [NH3+][C@H](CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)c1ccccc1[O-] ZINC001158579124 864744585 /nfs/dbraw/zinc/74/45/85/864744585.db2.gz OOPDQYPLBRMMDO-MRVWCRGKSA-N 1 3 321.396 1.318 20 10 DDCDHO CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336924703 869220508 /nfs/dbraw/zinc/22/05/08/869220508.db2.gz XVTQTQLOVMHPRD-HOCLYGCPSA-N 1 3 321.469 1.392 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC001345645577 873464059 /nfs/dbraw/zinc/46/40/59/873464059.db2.gz FPRNOQZDGKEHHR-IRXDYDNUSA-N 1 3 318.465 1.614 20 10 DDCDHO C[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001346489562 873774219 /nfs/dbraw/zinc/77/42/19/873774219.db2.gz HIWLEGCDFQZSDW-WFASDCNBSA-N 1 3 307.442 1.002 20 10 DDCDHO COc1ccc(O)c(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000289514331 131392578 /nfs/dbraw/zinc/39/25/78/131392578.db2.gz UYIVORVRBFXLTO-UHFFFAOYSA-N 1 3 321.465 1.859 20 10 DDCDHO COc1ccc(O)c(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000289514331 131392579 /nfs/dbraw/zinc/39/25/79/131392579.db2.gz UYIVORVRBFXLTO-UHFFFAOYSA-N 1 3 321.465 1.859 20 10 DDCDHO C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)[NH2+]1 ZINC000843049197 702808203 /nfs/dbraw/zinc/80/82/03/702808203.db2.gz JDARJCMDXVQKIQ-HZPDHXFCSA-N 1 3 302.466 1.621 20 10 DDCDHO COc1ccc(N2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)c(OC)c1 ZINC000904384771 711850087 /nfs/dbraw/zinc/85/00/87/711850087.db2.gz NPKZXAQRGFCJPG-OKILXGFUSA-N 1 3 305.422 1.563 20 10 DDCDHO COc1ccc(C[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001133845959 770355593 /nfs/dbraw/zinc/35/55/93/770355593.db2.gz QRBGPKHOXILJMC-CQSZACIVSA-N 1 3 319.449 1.551 20 10 DDCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](N)CCC[NH3+] ZINC001157432870 863817618 /nfs/dbraw/zinc/81/76/18/863817618.db2.gz HYVMMWPWUCPDFA-XJKSGUPXSA-N 1 3 319.449 1.815 20 10 DDCDHO CN(C)c1ccc(CN2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC001232834069 886621645 /nfs/dbraw/zinc/62/16/45/886621645.db2.gz FXNRPZYENLUBCV-UHFFFAOYSA-N 1 3 306.454 1.137 20 10 DDCDHO CN(C)C[C@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)c2ccccc2O1 ZINC000638130797 422694266 /nfs/dbraw/zinc/69/42/66/422694266.db2.gz IXUKXZGJODTCCB-KGLIPLIRSA-N 1 3 301.390 1.390 20 10 DDCDHO C[N@@H+]1CCC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000068722636 696376193 /nfs/dbraw/zinc/37/61/93/696376193.db2.gz RAZSZFPWIARIRA-QGZVFWFLSA-N 1 3 303.450 1.955 20 10 DDCDHO C[N@H+]1CCC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000068722636 696376195 /nfs/dbraw/zinc/37/61/95/696376195.db2.gz RAZSZFPWIARIRA-QGZVFWFLSA-N 1 3 303.450 1.955 20 10 DDCDHO COc1cccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843122926 702824168 /nfs/dbraw/zinc/82/41/68/702824168.db2.gz XDZYUJNUIBKUHL-CQSZACIVSA-N 1 3 321.421 1.220 20 10 DDCDHO C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC001275913758 853936925 /nfs/dbraw/zinc/93/69/25/853936925.db2.gz QRYNORGKYFYDJZ-XJKSGUPXSA-N 1 3 307.413 1.599 20 10 DDCDHO C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC001275913758 853936931 /nfs/dbraw/zinc/93/69/31/853936931.db2.gz QRYNORGKYFYDJZ-XJKSGUPXSA-N 1 3 307.413 1.599 20 10 DDCDHO CN1CCN(c2ccc(CNCCC(C)(C)[NH3+])cc2F)CC1 ZINC001332014876 865503087 /nfs/dbraw/zinc/50/30/87/865503087.db2.gz XIMDKCHEPAOSJP-UHFFFAOYSA-N 1 3 308.445 1.795 20 10 DDCDHO C[NH2+]C[C@@H](C)CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325267247 867900587 /nfs/dbraw/zinc/90/05/87/867900587.db2.gz KSXDNVGVGGJVGG-CQSZACIVSA-N 1 3 308.445 1.523 20 10 DDCDHO C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1[NH3+] ZINC001205868962 871878004 /nfs/dbraw/zinc/87/80/04/871878004.db2.gz YXTDPWPAKWHTLM-QAPCUYQASA-N 1 3 302.466 1.608 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@H]([NH3+])C[C@H](F)C3)cc2)CC1 ZINC001206424412 872305305 /nfs/dbraw/zinc/30/53/05/872305305.db2.gz PNALTRNMHYARAZ-DLBZAZTESA-N 1 3 320.456 1.700 20 10 DDCDHO C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000295838937 409370893 /nfs/dbraw/zinc/37/08/93/409370893.db2.gz FJJICBSLLMQMLS-MRXNPFEDSA-N 1 3 303.450 1.995 20 10 DDCDHO CCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(O)c1 ZINC000799345897 700138033 /nfs/dbraw/zinc/13/80/33/700138033.db2.gz ALMQLNYYVGNGAK-UHFFFAOYSA-N 1 3 321.465 1.907 20 10 DDCDHO C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CC[NH+](C)CC1 ZINC000768449334 701177986 /nfs/dbraw/zinc/17/79/86/701177986.db2.gz GJFPKIROAWFLLT-INIZCTEOSA-N 1 3 306.406 1.592 20 10 DDCDHO C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CC[NH+](C)CC1 ZINC000768449334 701177988 /nfs/dbraw/zinc/17/79/88/701177988.db2.gz GJFPKIROAWFLLT-INIZCTEOSA-N 1 3 306.406 1.592 20 10 DDCDHO CCN1CCN(c2ccc(CN[C@H]3CCC[C@H]3[NH3+])cc2F)CC1 ZINC000817902689 702515128 /nfs/dbraw/zinc/51/51/28/702515128.db2.gz XCLZUULZTNDWBT-SJORKVTESA-N 1 3 320.456 1.937 20 10 DDCDHO CC(C)[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N(C)C ZINC000832267084 706881976 /nfs/dbraw/zinc/88/19/76/706881976.db2.gz MOTOJTNBRUQQDP-CVEARBPZSA-N 1 3 306.454 1.455 20 10 DDCDHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834508599 707075383 /nfs/dbraw/zinc/07/53/83/707075383.db2.gz ODWALXLSQLLLLO-GOEBONIOSA-N 1 3 303.450 1.995 20 10 DDCDHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666715 710916341 /nfs/dbraw/zinc/91/63/41/710916341.db2.gz LACVIEJWWLUIHR-IRXDYDNUSA-N 1 3 318.465 1.741 20 10 DDCDHO C[C@H](CNCc1ccc(N2CCN(C)CC2)c(F)c1)C[NH+](C)C ZINC001117674256 780877979 /nfs/dbraw/zinc/87/79/79/780877979.db2.gz ZNJCTFGDDYMCCX-OAHLLOKOSA-N 1 3 322.472 1.865 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C[NH3+])N(C)C)cc1 ZINC001122413811 858797720 /nfs/dbraw/zinc/79/77/20/858797720.db2.gz BCMTUWMNRCFLPI-INIZCTEOSA-N 1 3 320.481 1.847 20 10 DDCDHO COc1cc(CN2C[C@@H]3COC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139253993 860336103 /nfs/dbraw/zinc/33/61/03/860336103.db2.gz ARLOPBZGDGNOCC-GASCZTMLSA-N 1 3 306.406 1.541 20 10 DDCDHO Oc1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)cc1O ZINC001256680110 897532413 /nfs/dbraw/zinc/53/24/13/897532413.db2.gz XYFZJXVMWMQIHZ-UHFFFAOYSA-N 1 3 320.433 1.873 20 10 DDCDHO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([O-])c1 ZINC000843048156 702807790 /nfs/dbraw/zinc/80/77/90/702807790.db2.gz QHOZNQWWSVMZHQ-CQSZACIVSA-N 1 3 321.421 1.078 20 10 DDCDHO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([O-])c1 ZINC000843048156 702807791 /nfs/dbraw/zinc/80/77/91/702807791.db2.gz QHOZNQWWSVMZHQ-CQSZACIVSA-N 1 3 321.421 1.078 20 10 DDCDHO CN(C)c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000843124088 702824759 /nfs/dbraw/zinc/82/47/59/702824759.db2.gz YBSBISBUBBSTIA-OAHLLOKOSA-N 1 3 306.429 1.371 20 10 DDCDHO COc1cccc([O-])c1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000843125381 702824978 /nfs/dbraw/zinc/82/49/78/702824978.db2.gz UNXYWONWBVQUGC-PBHICJAKSA-N 1 3 306.406 1.729 20 10 DDCDHO COc1cc(CNC[C@]2(O)CC[N@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850246951 703717141 /nfs/dbraw/zinc/71/71/41/703717141.db2.gz NBVWXSUFRQYSCD-GOSISDBHSA-N 1 3 322.449 1.855 20 10 DDCDHO COc1cc(CNC[C@]2(O)CC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850246951 703717143 /nfs/dbraw/zinc/71/71/43/703717143.db2.gz NBVWXSUFRQYSCD-GOSISDBHSA-N 1 3 322.449 1.855 20 10 DDCDHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326232934 861217129 /nfs/dbraw/zinc/21/71/29/861217129.db2.gz UGHATQCCATWMTH-ZBFHGGJFSA-N 1 3 320.456 1.747 20 10 DDCDHO COc1cc(O)c(CN2CC3(C2)CC[NH+](C)CC3)c(OC)c1 ZINC001141030965 860766673 /nfs/dbraw/zinc/76/66/73/860766673.db2.gz SKVZCJKTIVXMTM-UHFFFAOYSA-N 1 3 306.406 1.937 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC001206058648 872023769 /nfs/dbraw/zinc/02/37/69/872023769.db2.gz LHLFSZRORXFWGE-CRAIPNDOSA-N 1 3 302.466 1.608 20 10 DDCDHO CC(C)C[NH2+]CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001345637662 873462492 /nfs/dbraw/zinc/46/24/92/873462492.db2.gz NAMPISFGWKEJGW-KRWDZBQOSA-N 1 3 320.481 1.717 20 10 DDCDHO [NH3+]C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC12CCOCC2 ZINC000843124806 702824422 /nfs/dbraw/zinc/82/44/22/702824422.db2.gz HAQUDPPQELJGML-ZDUSSCGKSA-N 1 3 320.389 1.308 20 10 DDCDHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834508601 707075324 /nfs/dbraw/zinc/07/53/24/707075324.db2.gz ODWALXLSQLLLLO-ZBFHGGJFSA-N 1 3 303.450 1.995 20 10 DDCDHO CN1CCC([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001319097696 872439998 /nfs/dbraw/zinc/43/99/98/872439998.db2.gz JUFQPYJPAQGIKS-UHFFFAOYSA-N 1 3 320.456 1.761 20 10 DDCDHO CN1CCN(c2ccc(CNC3CC[NH+](C)CC3)cc2F)CC1 ZINC001319097696 872440004 /nfs/dbraw/zinc/44/00/04/872440004.db2.gz JUFQPYJPAQGIKS-UHFFFAOYSA-N 1 3 320.456 1.761 20 10 DDCDHO CCN1CCN(c2ccc(CN3CC[C@H]4C[C@@]4([NH3+])C3)cc2)CC1 ZINC001235154372 888443157 /nfs/dbraw/zinc/44/31/57/888443157.db2.gz FGSPXYBEVHZYRG-PKOBYXMFSA-N 1 3 314.477 1.752 20 10 DDCDHO CN(C)C[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)c2ccccc2O1 ZINC000638130793 422693152 /nfs/dbraw/zinc/69/31/52/422693152.db2.gz IXUKXZGJODTCCB-KBPBESRZSA-N 1 3 301.390 1.390 20 10 DDCDHO CN1CCN(c2ccc(CN[C@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000863482834 705938526 /nfs/dbraw/zinc/93/85/26/705938526.db2.gz LZDLZNHYRDQZCH-SFHVURJKSA-N 1 3 314.477 1.813 20 10 DDCDHO CC(C)N(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254759 710143307 /nfs/dbraw/zinc/14/33/07/710143307.db2.gz JBAUASPRRQEDLF-KRWDZBQOSA-N 1 3 320.481 1.812 20 10 DDCDHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894176141 711000238 /nfs/dbraw/zinc/00/02/38/711000238.db2.gz PTUDKGCJJRVOIU-OAHLLOKOSA-N 1 3 321.465 1.825 20 10 DDCDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099462 776621488 /nfs/dbraw/zinc/62/14/88/776621488.db2.gz IBJATGLRUJVSEO-UMPJEAMMSA-N 1 3 306.406 1.736 20 10 DDCDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099462 776621495 /nfs/dbraw/zinc/62/14/95/776621495.db2.gz IBJATGLRUJVSEO-UMPJEAMMSA-N 1 3 306.406 1.736 20 10 DDCDHO COc1cc(CN2CCCC[C@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253088 860336078 /nfs/dbraw/zinc/33/60/78/860336078.db2.gz LFLYHIXVZLLKAX-HNNXBMFYSA-N 1 3 308.422 1.809 20 10 DDCDHO [NH3+][C@H](CC(=O)N1CCC[C@]12CCC[NH2+]C2)c1ccccc1[O-] ZINC001158161927 864462701 /nfs/dbraw/zinc/46/27/01/864462701.db2.gz SSMFOMQFKDKRDY-PBHICJAKSA-N 1 3 303.406 1.527 20 10 DDCDHO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)[NH3+] ZINC001353427777 877322007 /nfs/dbraw/zinc/32/20/07/877322007.db2.gz CBFZSJJIYLFECK-WOSRLPQWSA-N 1 3 321.469 1.390 20 10 DDCDHO COc1cccc([O-])c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000769383821 701243193 /nfs/dbraw/zinc/24/31/93/701243193.db2.gz JYJRIVHKYJNMOQ-UHFFFAOYSA-N 1 3 308.422 1.943 20 10 DDCDHO CN1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000843128887 702825425 /nfs/dbraw/zinc/82/54/25/702825425.db2.gz YNBRFEGXYMGXEV-HKUYNNGSSA-N 1 3 314.477 1.622 20 10 DDCDHO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CN1CCCCC1 ZINC000921587495 713814770 /nfs/dbraw/zinc/81/47/70/713814770.db2.gz QMRRGXVQNRXEGK-QGZVFWFLSA-N 1 3 304.434 1.948 20 10 DDCDHO Oc1ccc([C@H](O)C[NH2+]C2CCN(CC3CC3)CC2)cc1O ZINC001168351083 742215020 /nfs/dbraw/zinc/21/50/20/742215020.db2.gz BULOCLWVHQIJEA-QGZVFWFLSA-N 1 3 306.406 1.595 20 10 DDCDHO C[NH+](C)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272619644 846418608 /nfs/dbraw/zinc/41/86/08/846418608.db2.gz XSHJZOJKMOXDOT-GOSISDBHSA-N 1 3 317.433 1.378 20 10 DDCDHO C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272619644 846418612 /nfs/dbraw/zinc/41/86/12/846418612.db2.gz XSHJZOJKMOXDOT-GOSISDBHSA-N 1 3 317.433 1.378 20 10 DDCDHO CCN1CCN(c2ccc(C[NH+]3CC(C4COC4)C3)cc2)CC1 ZINC001140300874 860615097 /nfs/dbraw/zinc/61/50/97/860615097.db2.gz VQOXYUSDTZBRPZ-UHFFFAOYSA-N 1 3 315.461 1.907 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C23CC(C2)C[NH2+]3)N(C)C)cc1 ZINC001343165568 872523392 /nfs/dbraw/zinc/52/33/92/872523392.db2.gz HZBHTQIKVXROBE-CRPOECCBSA-N 1 3 316.449 1.224 20 10 DDCDHO [NH3+][C@H](CC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1[O-] ZINC001220163054 878765472 /nfs/dbraw/zinc/76/54/72/878765472.db2.gz OKGHPPBLJILXCS-JOQOYGCGSA-N 1 3 317.433 1.821 20 10 DDCDHO [NH3+][C@H](CC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1[O-] ZINC001220163055 878766537 /nfs/dbraw/zinc/76/65/37/878766537.db2.gz OKGHPPBLJILXCS-SIIHOXLZSA-N 1 3 317.433 1.821 20 10 DDCDHO [O-]c1ccc(F)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841069913 702335025 /nfs/dbraw/zinc/33/50/25/702335025.db2.gz GANQXRZNRJIDAX-CYBMUJFWSA-N 1 3 321.318 1.457 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)NCC[NH+](C)C)N(C)C)cc1 ZINC000899104898 708984823 /nfs/dbraw/zinc/98/48/23/708984823.db2.gz SRCQVYCUHDBFMJ-MRXNPFEDSA-N 1 3 321.469 1.216 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@](C)(O)C3)cc2)CC1 ZINC001140301960 733500383 /nfs/dbraw/zinc/50/03/83/733500383.db2.gz FUYUMUIQYIWPPX-SFHVURJKSA-N 1 3 303.450 1.785 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@](C)(O)C3)cc2)CC1 ZINC001140301960 733500387 /nfs/dbraw/zinc/50/03/87/733500387.db2.gz FUYUMUIQYIWPPX-SFHVURJKSA-N 1 3 303.450 1.785 20 10 DDCDHO CCN1CCN(c2ccc(CN3CC[C@@](C)([NH3+])C3)cc2)CC1 ZINC001204783021 741079074 /nfs/dbraw/zinc/07/90/74/741079074.db2.gz NLFDKUZVMBHYFW-GOSISDBHSA-N 1 3 302.466 1.752 20 10 DDCDHO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161134685 866397528 /nfs/dbraw/zinc/39/75/28/866397528.db2.gz IVHSYCKVEDGGAB-KRWDZBQOSA-N 1 3 318.465 1.428 20 10 DDCDHO COc1cc(O)c(CN2CC3(C2)CC[NH+](C)CC3)cc1OC ZINC001236757116 889333936 /nfs/dbraw/zinc/33/39/36/889333936.db2.gz FYLQWVJXOWRMKK-UHFFFAOYSA-N 1 3 306.406 1.937 20 10 DDCDHO COc1cc(C[NH+]2CCC3(CN(C)C3)CC2)c(O)c(OC)c1 ZINC001237679956 889802593 /nfs/dbraw/zinc/80/25/93/889802593.db2.gz GTYASFNVJWTTGO-UHFFFAOYSA-N 1 3 306.406 1.937 20 10 DDCDHO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000853247170 704224470 /nfs/dbraw/zinc/22/44/70/704224470.db2.gz FLBUQPVRVXEMLY-UHFFFAOYSA-N 1 3 305.422 1.472 20 10 DDCDHO CC[NH+]1CCN(c2ccc(CN(C)CC(OC)OC)cc2)CC1 ZINC001140306172 860616310 /nfs/dbraw/zinc/61/63/10/860616310.db2.gz NJQVRVOHGOWJOG-UHFFFAOYSA-N 1 3 321.465 1.879 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)[NH3+])N(C)C)cc1 ZINC001336905283 869211451 /nfs/dbraw/zinc/21/14/51/869211451.db2.gz CWTICPPFENMFQE-OAHLLOKOSA-N 1 3 321.469 1.392 20 10 DDCDHO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)c(O)c1OC ZINC001308984469 871542471 /nfs/dbraw/zinc/54/24/71/871542471.db2.gz IGOGPNQRTOUGBN-MGPQQGTHSA-N 1 3 306.406 1.839 20 10 DDCDHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841031857 702316823 /nfs/dbraw/zinc/31/68/23/702316823.db2.gz ZJXHNKAUBZLJGF-ZBFHGGJFSA-N 1 3 307.413 1.879 20 10 DDCDHO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1[O-] ZINC000843123586 702824305 /nfs/dbraw/zinc/82/43/05/702824305.db2.gz SFKYIUJZFFEXTB-HNNXBMFYSA-N 1 3 309.841 1.834 20 10 DDCDHO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1[O-] ZINC000843123586 702824307 /nfs/dbraw/zinc/82/43/07/702824307.db2.gz SFKYIUJZFFEXTB-HNNXBMFYSA-N 1 3 309.841 1.834 20 10 DDCDHO CN(C)c1cc(F)c(CNCC2(O)CC[NH+](C)CC2)cc1F ZINC000858142909 704670286 /nfs/dbraw/zinc/67/02/86/704670286.db2.gz QTLCBYYEDIOQHH-UHFFFAOYSA-N 1 3 313.392 1.577 20 10 DDCDHO C[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001119544131 781504233 /nfs/dbraw/zinc/50/42/33/781504233.db2.gz DYLKZCUXBMWASW-ZBFHGGJFSA-N 1 3 320.456 1.523 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CO)cc2)CC1 ZINC001140302707 860615529 /nfs/dbraw/zinc/61/55/29/860615529.db2.gz YKNIAHYBEGAXSA-SFHVURJKSA-N 1 3 303.450 1.785 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H]3CO)cc2)CC1 ZINC001140302707 860615533 /nfs/dbraw/zinc/61/55/33/860615533.db2.gz YKNIAHYBEGAXSA-SFHVURJKSA-N 1 3 303.450 1.785 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)CC[NH2+]C2CC2)N(C)C)cc1 ZINC001341621339 871742199 /nfs/dbraw/zinc/74/21/99/871742199.db2.gz GPCZZBKGZAIJOJ-KRWDZBQOSA-N 1 3 318.465 1.614 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@@H]4C[C@]4([NH3+])C3)cc2)CC1 ZINC001236027384 889065684 /nfs/dbraw/zinc/06/56/84/889065684.db2.gz OQGWZCRSTXKIPY-WMZOPIPTSA-N 1 3 300.450 1.362 20 10 DDCDHO CN1CCN(c2ccc(CN3CC[NH2+]C(C)(C)C3)cc2)CC1 ZINC000775666071 698021142 /nfs/dbraw/zinc/02/11/42/698021142.db2.gz RROPCZHJXMUNNL-UHFFFAOYSA-N 1 3 302.466 1.622 20 10 DDCDHO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([O-])c1 ZINC000843048155 702807785 /nfs/dbraw/zinc/80/77/85/702807785.db2.gz QHOZNQWWSVMZHQ-AWEZNQCLSA-N 1 3 321.421 1.078 20 10 DDCDHO CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([O-])c1 ZINC000843048155 702807786 /nfs/dbraw/zinc/80/77/86/702807786.db2.gz QHOZNQWWSVMZHQ-AWEZNQCLSA-N 1 3 321.421 1.078 20 10 DDCDHO COc1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000866697273 706767533 /nfs/dbraw/zinc/76/75/33/706767533.db2.gz LSRXDFPPQYHDBQ-HNNXBMFYSA-N 1 3 319.449 1.825 20 10 DDCDHO C[NH+](C)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272619645 846418513 /nfs/dbraw/zinc/41/85/13/846418513.db2.gz XSHJZOJKMOXDOT-SFHVURJKSA-N 1 3 317.433 1.378 20 10 DDCDHO C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272619645 846418519 /nfs/dbraw/zinc/41/85/19/846418519.db2.gz XSHJZOJKMOXDOT-SFHVURJKSA-N 1 3 317.433 1.378 20 10 DDCDHO CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122414061 858798723 /nfs/dbraw/zinc/79/87/23/858798723.db2.gz KLVRCFWSJVYTTC-WMZOPIPTSA-N 1 3 320.481 1.989 20 10 DDCDHO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)c(O)c1OC ZINC001308984388 871542416 /nfs/dbraw/zinc/54/24/16/871542416.db2.gz IGOGPNQRTOUGBN-BFHYXJOUSA-N 1 3 306.406 1.839 20 10 DDCDHO COC(=O)Cc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)c(O)c1 ZINC001249215108 893872665 /nfs/dbraw/zinc/87/26/65/893872665.db2.gz WBHBTFNRSKNSCS-UHFFFAOYSA-N 1 3 318.417 1.635 20 10 DDCDHO CN(CC[NH+]1CCCC1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809737091 701684225 /nfs/dbraw/zinc/68/42/25/701684225.db2.gz BTAFVQILZNRJET-UHFFFAOYSA-N 1 3 316.493 1.966 20 10 DDCDHO CN(C)c1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122776 702824089 /nfs/dbraw/zinc/82/40/89/702824089.db2.gz ULHLNIXYGSEUMU-QGZVFWFLSA-N 1 3 318.465 1.572 20 10 DDCDHO CN(C)CC(C)(C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000835069894 707166398 /nfs/dbraw/zinc/16/63/98/707166398.db2.gz OBBHZRSPSFYCPJ-UHFFFAOYSA-N 1 3 304.482 1.868 20 10 DDCDHO CCN1CCN(CCC[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894383954 711097615 /nfs/dbraw/zinc/09/76/15/711097615.db2.gz IRSGIAYJAJZFPF-UHFFFAOYSA-N 1 3 321.465 1.826 20 10 DDCDHO C[C@@H](CNCc1ccc(N2CCN(C)CC2)c(F)c1)C[NH+](C)C ZINC001117674255 780877629 /nfs/dbraw/zinc/87/76/29/780877629.db2.gz ZNJCTFGDDYMCCX-HNNXBMFYSA-N 1 3 322.472 1.865 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C2([NH3+])CCC2)N(C)C)cc1 ZINC001343048590 872481076 /nfs/dbraw/zinc/48/10/76/872481076.db2.gz WADNBCWBYDAKCB-HNNXBMFYSA-N 1 3 304.438 1.353 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)N(C)C)cc1 ZINC001355639308 878656918 /nfs/dbraw/zinc/65/69/18/878656918.db2.gz IDCWXLNXACYWQU-SJLPKXTDSA-N 1 3 318.465 1.471 20 10 DDCDHO COc1ccc(N2CCN(CCN[C@@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000817892760 702510593 /nfs/dbraw/zinc/51/05/93/702510593.db2.gz CEKVLQVTVZHGRP-CVEARBPZSA-N 1 3 320.481 1.533 20 10 DDCDHO CN(C)c1ccc(/C=C/CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000843051676 702808865 /nfs/dbraw/zinc/80/88/65/702808865.db2.gz BQUNXQPSWSXZIC-SNAWJCMRSA-N 1 3 302.466 1.603 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)NCC[NH+](C)C)N(C)C)cc1 ZINC000899104895 708984897 /nfs/dbraw/zinc/98/48/97/708984897.db2.gz SRCQVYCUHDBFMJ-INIZCTEOSA-N 1 3 321.469 1.216 20 10 DDCDHO CCN1C[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC001138499737 860120990 /nfs/dbraw/zinc/12/09/90/860120990.db2.gz GTKYUZQEFZPHQM-ROUUACIJSA-N 1 3 315.461 1.907 20 10 DDCDHO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205591338 871646340 /nfs/dbraw/zinc/64/63/40/871646340.db2.gz KRWUJCNQOIXIDL-KRWDZBQOSA-N 1 3 324.396 1.761 20 10 DDCDHO COC(=O)Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205591338 871646357 /nfs/dbraw/zinc/64/63/57/871646357.db2.gz KRWUJCNQOIXIDL-KRWDZBQOSA-N 1 3 324.396 1.761 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)CC2CC([NH3+])C2)N(C)C)cc1 ZINC001341620696 871741622 /nfs/dbraw/zinc/74/16/22/871741622.db2.gz BRTVBRAGXGTQEH-PGEKIEPBSA-N 1 3 318.465 1.599 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[NH+](C)C)cc1 ZINC001343164814 872521749 /nfs/dbraw/zinc/52/17/49/872521749.db2.gz BCYIUEVWIDZMIH-HZPDHXFCSA-N 1 3 320.481 1.845 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)N(C)C)cc1 ZINC001343166747 872524104 /nfs/dbraw/zinc/52/41/04/872524104.db2.gz WBTLXINEEUAZFR-DOTOQJQBSA-N 1 3 322.428 1.173 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC001345645576 873465225 /nfs/dbraw/zinc/46/52/25/873465225.db2.gz FPRNOQZDGKEHHR-DLBZAZTESA-N 1 3 318.465 1.614 20 10 DDCDHO CN(C)c1ccc(/C=C\CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843123617 702824653 /nfs/dbraw/zinc/82/46/53/702824653.db2.gz SXMBOCNPKHIIET-LLHWWHOWSA-N 1 3 314.477 1.745 20 10 DDCDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925778351 714933601 /nfs/dbraw/zinc/93/36/01/714933601.db2.gz USRRVAOLYRFONI-KGLIPLIRSA-N 1 3 318.465 1.604 20 10 DDCDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099461 776620757 /nfs/dbraw/zinc/62/07/57/776620757.db2.gz IBJATGLRUJVSEO-LOUJCGABSA-N 1 3 306.406 1.736 20 10 DDCDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099461 776620762 /nfs/dbraw/zinc/62/07/62/776620762.db2.gz IBJATGLRUJVSEO-LOUJCGABSA-N 1 3 306.406 1.736 20 10 DDCDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCc1cc(O)c(O)cc1O)C2 ZINC001172108130 776648164 /nfs/dbraw/zinc/64/81/64/776648164.db2.gz QDUPIKIUXGOMLB-ZSOGYDGISA-N 1 3 306.406 1.951 20 10 DDCDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCc1cc(O)c(O)cc1O)C2 ZINC001172108130 776648169 /nfs/dbraw/zinc/64/81/69/776648169.db2.gz QDUPIKIUXGOMLB-ZSOGYDGISA-N 1 3 306.406 1.951 20 10 DDCDHO COc1ccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)cc1C ZINC001176975032 778360481 /nfs/dbraw/zinc/36/04/81/778360481.db2.gz IAVLZPIHLMNJAA-UHFFFAOYSA-N 1 3 321.465 1.940 20 10 DDCDHO Cc1cc(C)c(CN2CC3(CCN3CC[NH+](C)C)C2)c(O)c1 ZINC001276364752 855998007 /nfs/dbraw/zinc/99/80/07/855998007.db2.gz DWNKRQAKDMNXPY-UHFFFAOYSA-N 1 3 303.450 1.831 20 10 DDCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](N)CCC[NH3+] ZINC001157432864 863817445 /nfs/dbraw/zinc/81/74/45/863817445.db2.gz HYVMMWPWUCPDFA-BBRMVZONSA-N 1 3 319.449 1.815 20 10 DDCDHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336924705 869219908 /nfs/dbraw/zinc/21/99/08/869219908.db2.gz XVTQTQLOVMHPRD-ZBFHGGJFSA-N 1 3 321.469 1.392 20 10 DDCDHO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)[NH3+] ZINC001353427779 877322614 /nfs/dbraw/zinc/32/26/14/877322614.db2.gz CBFZSJJIYLFECK-ZENOOKHLSA-N 1 3 321.469 1.390 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)N(C)C)cc1 ZINC001355639337 878656324 /nfs/dbraw/zinc/65/63/24/878656324.db2.gz IOLWVZLWQPRSJW-SJORKVTESA-N 1 3 318.465 1.599 20 10 DDCDHO COC(=O)Cc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c([O-])c1 ZINC001249201546 893862439 /nfs/dbraw/zinc/86/24/39/893862439.db2.gz XAGXONFAGAEEQW-UHFFFAOYSA-N 1 3 320.433 1.881 20 10 DDCDHO COC(=O)Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c([O-])c1 ZINC001249201546 893862457 /nfs/dbraw/zinc/86/24/57/893862457.db2.gz XAGXONFAGAEEQW-UHFFFAOYSA-N 1 3 320.433 1.881 20 10 DDCDHO C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000925762659 714930344 /nfs/dbraw/zinc/93/03/44/714930344.db2.gz MXQZAUQNJFRFSK-YJBOKZPZSA-N 1 3 302.466 1.669 20 10 DDCDHO CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(C)(C)C[NH3+] ZINC001326503774 861411666 /nfs/dbraw/zinc/41/16/66/861411666.db2.gz VGMFVJUGVCKBLW-UHFFFAOYSA-N 1 3 322.472 1.994 20 10 DDCDHO CCN1CCN(c2ccc(CN3CC[C@@H](C)[C@@H]([NH3+])C3)cc2)CC1 ZINC001205872236 871882014 /nfs/dbraw/zinc/88/20/14/871882014.db2.gz IJZIPTXGVPZYJI-APWZRJJASA-N 1 3 316.493 1.998 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@@H]([NH3+])C[C@H](F)C3)cc2)CC1 ZINC001206424414 872304344 /nfs/dbraw/zinc/30/43/44/872304344.db2.gz PNALTRNMHYARAZ-IRXDYDNUSA-N 1 3 320.456 1.700 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C2(C)C[NH2+]C2)N(C)C)cc1 ZINC001343166626 872524186 /nfs/dbraw/zinc/52/41/86/872524186.db2.gz VKDDEXQDDZDCNR-OAHLLOKOSA-N 1 3 304.438 1.081 20 10 DDCDHO C[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001346489559 873774360 /nfs/dbraw/zinc/77/43/60/873774360.db2.gz HIWLEGCDFQZSDW-DOMZBBRYSA-N 1 3 307.442 1.002 20 10 DDCDHO CC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001355640420 878656456 /nfs/dbraw/zinc/65/64/56/878656456.db2.gz OYMOMZCMQVURJD-XJKSGUPXSA-N 1 3 306.454 1.470 20 10 DDCDHO COc1ccc([O-])c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248364 340783701 /nfs/dbraw/zinc/78/37/01/340783701.db2.gz JXWJQRHVPSKJMV-QGZVFWFLSA-N 1 3 320.433 1.991 20 10 DDCDHO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771842839 701333964 /nfs/dbraw/zinc/33/39/64/701333964.db2.gz MYPZDGGLVAKPJE-MAUKXSAKSA-N 1 3 302.466 1.478 20 10 DDCDHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894491 702511482 /nfs/dbraw/zinc/51/14/82/702511482.db2.gz LKLUHXFKLATZAF-HOTGVXAUSA-N 1 3 307.413 1.756 20 10 DDCDHO CN(C)c1ccc(/C=C\CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843123619 702824525 /nfs/dbraw/zinc/82/45/25/702824525.db2.gz SXMBOCNPKHIIET-ZRHASKPBSA-N 1 3 314.477 1.745 20 10 DDCDHO COc1cccc([O-])c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863652332 705977325 /nfs/dbraw/zinc/97/73/25/705977325.db2.gz WGUYBVWNVKOTRR-HNNXBMFYSA-N 1 3 320.433 1.991 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000891247091 710140546 /nfs/dbraw/zinc/14/05/46/710140546.db2.gz HGLHPZBYVPFDJR-DOTOQJQBSA-N 1 3 318.465 1.423 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000891247091 710140547 /nfs/dbraw/zinc/14/05/47/710140547.db2.gz HGLHPZBYVPFDJR-DOTOQJQBSA-N 1 3 318.465 1.423 20 10 DDCDHO CN(C)c1ccc(CNC(=O)CN2CC[C@H](CC[NH3+])C2)cc1 ZINC000923481136 714369571 /nfs/dbraw/zinc/36/95/71/714369571.db2.gz GBUCJNFOLLOMGT-HNNXBMFYSA-N 1 3 304.438 1.040 20 10 DDCDHO C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C[NH3+] ZINC000923496108 714378298 /nfs/dbraw/zinc/37/82/98/714378298.db2.gz GRMPCIZRDCZEMW-GOEBONIOSA-N 1 3 318.465 1.286 20 10 DDCDHO COc1cc(CN2CCCC[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255623 860339040 /nfs/dbraw/zinc/33/90/40/860339040.db2.gz QQXUOWUQEFXITB-HNNXBMFYSA-N 1 3 308.422 1.809 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](F)[C@H](O)C3)cc2)CC1 ZINC001140302311 860614577 /nfs/dbraw/zinc/61/45/77/860614577.db2.gz NCKQAYQTTHXOJX-ZWKOTPCHSA-N 1 3 321.440 1.733 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](F)[C@H](O)C3)cc2)CC1 ZINC001140302311 860614581 /nfs/dbraw/zinc/61/45/81/860614581.db2.gz NCKQAYQTTHXOJX-ZWKOTPCHSA-N 1 3 321.440 1.733 20 10 DDCDHO C[NH2+]CCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001337051190 869292839 /nfs/dbraw/zinc/29/28/39/869292839.db2.gz AXLJRETYIQOMRZ-INIZCTEOSA-N 1 3 321.469 1.216 20 10 DDCDHO COC(=O)C1C[C@@H]2CC(NCc3ccc(N)cc3)C[C@H](C1)[NH2+]2 ZINC001246168495 892456820 /nfs/dbraw/zinc/45/68/20/892456820.db2.gz FETKQGVMWJHGSZ-DVMLXDCBSA-N 1 3 303.406 1.431 20 10 DDCDHO CC(C)CN1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001258000718 898003117 /nfs/dbraw/zinc/00/31/17/898003117.db2.gz LUEOJVCCGFTRPS-QGZVFWFLSA-N 1 3 308.422 1.841 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@@H]4CCC[C@@]4([NH3+])C3)cc2)CC1 ZINC000857226251 704565897 /nfs/dbraw/zinc/56/58/97/704565897.db2.gz JAYUETDJVOHKSC-PKOBYXMFSA-N 1 3 314.477 1.752 20 10 DDCDHO CN1CC[NH+](CCCC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834508698 707075346 /nfs/dbraw/zinc/07/53/46/707075346.db2.gz PRHAXYIJWPOPJS-INIZCTEOSA-N 1 3 303.450 1.997 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000891247094 710140656 /nfs/dbraw/zinc/14/06/56/710140656.db2.gz HGLHPZBYVPFDJR-WBVHZDCISA-N 1 3 318.465 1.423 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000891247094 710140658 /nfs/dbraw/zinc/14/06/58/710140658.db2.gz HGLHPZBYVPFDJR-WBVHZDCISA-N 1 3 318.465 1.423 20 10 DDCDHO COC(=O)Cc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c([O-])c1 ZINC001249214660 893871231 /nfs/dbraw/zinc/87/12/31/893871231.db2.gz PFLCBGOCLCEWPQ-UHFFFAOYSA-N 1 3 318.417 1.635 20 10 DDCDHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000321883473 698730940 /nfs/dbraw/zinc/73/09/40/698730940.db2.gz KBSOIPVTDRFAQE-HOCLYGCPSA-N 1 3 317.433 1.472 20 10 DDCDHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000321883473 698730941 /nfs/dbraw/zinc/73/09/41/698730941.db2.gz KBSOIPVTDRFAQE-HOCLYGCPSA-N 1 3 317.433 1.472 20 10 DDCDHO COc1cccc([O-])c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000760703012 700820008 /nfs/dbraw/zinc/82/00/08/700820008.db2.gz MQVXHEIOTHKUPQ-UHFFFAOYSA-N 1 3 308.422 1.726 20 10 DDCDHO CN(C)c1ccc(CN(C)C(=O)CN2CCC(C[NH3+])CC2)cc1 ZINC000844218637 702994728 /nfs/dbraw/zinc/99/47/28/702994728.db2.gz YUEFBBYJHGDEJK-UHFFFAOYSA-N 1 3 318.465 1.382 20 10 DDCDHO C[C@H]([NH3+])CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001346512891 873784695 /nfs/dbraw/zinc/78/46/95/873784695.db2.gz BCSJUHNNGFUULH-XJKSGUPXSA-N 1 3 321.469 1.392 20 10 DDCDHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(O)c1[O-] ZINC000187123960 289114087 /nfs/dbraw/zinc/11/40/87/289114087.db2.gz KFWNGNQGKBRSKC-UHFFFAOYSA-N 1 3 323.437 1.443 20 10 DDCDHO COc1cccc([O-])c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863652335 705977158 /nfs/dbraw/zinc/97/71/58/705977158.db2.gz WGUYBVWNVKOTRR-OAHLLOKOSA-N 1 3 320.433 1.991 20 10 DDCDHO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)CC1 ZINC000925776730 714933537 /nfs/dbraw/zinc/93/35/37/714933537.db2.gz IGLGICAPCRUUAA-IAGOWNOFSA-N 1 3 316.449 1.358 20 10 DDCDHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326232931 861216327 /nfs/dbraw/zinc/21/63/27/861216327.db2.gz UGHATQCCATWMTH-GDBMZVCRSA-N 1 3 320.456 1.747 20 10 DDCDHO C[NH2+]CCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122328672 858756547 /nfs/dbraw/zinc/75/65/47/858756547.db2.gz RRPJHCHFLLIVHI-KRWDZBQOSA-N 1 3 320.481 1.861 20 10 DDCDHO C[C@H](C[NH3+])N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335707624 868487757 /nfs/dbraw/zinc/48/77/57/868487757.db2.gz JLEHWWGWJJNWNE-CJNGLKHVSA-N 1 3 321.469 1.344 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)[NH3+])N(C)C)cc1 ZINC001336905282 869211411 /nfs/dbraw/zinc/21/14/11/869211411.db2.gz CWTICPPFENMFQE-HNNXBMFYSA-N 1 3 321.469 1.392 20 10 DDCDHO CN1CCN(c2ccc(CN3CCC[C@@H]([NH3+])CC3)c(F)c2)CC1 ZINC001205124449 871376912 /nfs/dbraw/zinc/37/69/12/871376912.db2.gz RTFJMYBKDLLSRL-MRXNPFEDSA-N 1 3 320.456 1.891 20 10 DDCDHO C[NH2+]CCc1ccccc1C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000518757490 421665004 /nfs/dbraw/zinc/66/50/04/421665004.db2.gz BYHOBOIRDYBCHM-INIZCTEOSA-N 1 3 309.413 1.979 20 10 DDCDHO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)n1cncn1 ZINC000817941208 702530960 /nfs/dbraw/zinc/53/09/60/702530960.db2.gz JKCVLKAOVRWYRS-CZUORRHYSA-N 1 3 316.453 1.757 20 10 DDCDHO NC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOCC1 ZINC000863482026 705937973 /nfs/dbraw/zinc/93/79/73/705937973.db2.gz PXYBUOGMWWQYDP-UHFFFAOYSA-N 1 3 305.422 1.121 20 10 DDCDHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000863641987 705974469 /nfs/dbraw/zinc/97/44/69/705974469.db2.gz HKMDOQNJBVEZJE-ZBFHGGJFSA-N 1 3 317.389 1.149 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C[NH3+])N(C)C)cc1 ZINC001122328879 858756855 /nfs/dbraw/zinc/75/68/55/858756855.db2.gz YBRUGSJOTLGFGL-OAHLLOKOSA-N 1 3 306.454 1.456 20 10 DDCDHO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)CN3CCCC3)C2)cc1 ZINC001335458871 868314603 /nfs/dbraw/zinc/31/46/03/868314603.db2.gz DERVVVBPZOETIP-NVXWUHKLSA-N 1 3 319.449 1.320 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)NC/C=C/C[NH3+])N(C)C)cc1 ZINC001346488710 873774513 /nfs/dbraw/zinc/77/45/13/873774513.db2.gz DANHPZSWQQSRGC-SQRWCISFSA-N 1 3 319.453 1.169 20 10 DDCDHO COc1cc(C)c(CN2CC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276805916 878322912 /nfs/dbraw/zinc/32/29/12/878322912.db2.gz ATSGZGKDWADOFH-UHFFFAOYSA-N 1 3 319.449 1.388 20 10 DDCDHO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1OC ZINC000292194347 408999353 /nfs/dbraw/zinc/99/93/53/408999353.db2.gz ZFKNMJQUQXJEOF-QGZVFWFLSA-N 1 3 306.406 1.937 20 10 DDCDHO COc1cc(O)c(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1OC ZINC000292194347 408999356 /nfs/dbraw/zinc/99/93/56/408999356.db2.gz ZFKNMJQUQXJEOF-QGZVFWFLSA-N 1 3 306.406 1.937 20 10 DDCDHO CN(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000841099005 702346440 /nfs/dbraw/zinc/34/64/40/702346440.db2.gz AXPMQXJMPACLFX-KRWDZBQOSA-N 1 3 314.437 1.640 20 10 DDCDHO CN(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000841099005 702346447 /nfs/dbraw/zinc/34/64/47/702346447.db2.gz AXPMQXJMPACLFX-KRWDZBQOSA-N 1 3 314.437 1.640 20 10 DDCDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817890804 702509974 /nfs/dbraw/zinc/50/99/74/702509974.db2.gz ZLJLBDJFDUTDEM-OFQRWUPVSA-N 1 3 318.465 1.604 20 10 DDCDHO [O-]c1ccccc1C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000843356684 702865771 /nfs/dbraw/zinc/86/57/71/702865771.db2.gz VOJSIHLLTNFZDZ-QGZVFWFLSA-N 1 3 319.449 1.278 20 10 DDCDHO [O-]c1ccccc1C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000843356684 702865774 /nfs/dbraw/zinc/86/57/74/702865774.db2.gz VOJSIHLLTNFZDZ-QGZVFWFLSA-N 1 3 319.449 1.278 20 10 DDCDHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666714 710915978 /nfs/dbraw/zinc/91/59/78/710915978.db2.gz LACVIEJWWLUIHR-IAGOWNOFSA-N 1 3 318.465 1.741 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]([NH3+])CC2CC2)N(C)C)cc1 ZINC001122413977 858798893 /nfs/dbraw/zinc/79/88/93/858798893.db2.gz HVRZCABNMKVXRU-SJORKVTESA-N 1 3 318.465 1.599 20 10 DDCDHO COc1cc(O)c(C[NH+]2CCC3(CN(C)C3)CC2)cc1OC ZINC001236757992 889334210 /nfs/dbraw/zinc/33/42/10/889334210.db2.gz VVPXVUIEWVQTFR-UHFFFAOYSA-N 1 3 306.406 1.937 20 10 DDCDHO CN1CCN(c2ccc(CN3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000775653229 698020011 /nfs/dbraw/zinc/02/00/11/698020011.db2.gz AINAAZKFYUGSKA-UHFFFAOYSA-N 1 3 316.493 1.964 20 10 DDCDHO C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000841101152 702346768 /nfs/dbraw/zinc/34/67/68/702346768.db2.gz PPQRAWSXZKLOKT-DOTOQJQBSA-N 1 3 303.450 1.940 20 10 DDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000841846672 702583249 /nfs/dbraw/zinc/58/32/49/702583249.db2.gz RRQLPOZYYRVTTE-GOSISDBHSA-N 1 3 324.428 1.786 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)CC2([NH3+])CCC2)N(C)C)cc1 ZINC001341622542 871741311 /nfs/dbraw/zinc/74/13/11/871741311.db2.gz MCIYWCVAFUBBGK-MRXNPFEDSA-N 1 3 318.465 1.743 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)NCCCC[NH3+])N(C)C)cc1 ZINC001346645792 873835872 /nfs/dbraw/zinc/83/58/72/873835872.db2.gz ADDSTVAFVRMLAK-MRXNPFEDSA-N 1 3 321.469 1.393 20 10 DDCDHO CC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001355640415 878656641 /nfs/dbraw/zinc/65/66/41/878656641.db2.gz OYMOMZCMQVURJD-BBRMVZONSA-N 1 3 306.454 1.470 20 10 DDCDHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccccc3[O-])C[C@H]1C2 ZINC001236024139 889061726 /nfs/dbraw/zinc/06/17/26/889061726.db2.gz WGPLOUGKHRIIOC-FSZRXZPDSA-N 1 3 316.401 1.223 20 10 DDCDHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccccc3[O-])C[C@H]1C2 ZINC001236024139 889061749 /nfs/dbraw/zinc/06/17/49/889061749.db2.gz WGPLOUGKHRIIOC-FSZRXZPDSA-N 1 3 316.401 1.223 20 10 DDCDHO CN1CCN(c2ccc(CN[C@H]3CC[NH2+]C3(C)C)cc2)CC1 ZINC000841086868 702340599 /nfs/dbraw/zinc/34/05/99/702340599.db2.gz PXQXCXRXFUPHEU-KRWDZBQOSA-N 1 3 302.466 1.669 20 10 DDCDHO [O-]c1c(F)cccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841086969 702341804 /nfs/dbraw/zinc/34/18/04/702341804.db2.gz GLNYISNAVQGCKP-UHFFFAOYSA-N 1 3 307.413 1.837 20 10 DDCDHO C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000925762656 714930515 /nfs/dbraw/zinc/93/05/15/714930515.db2.gz MXQZAUQNJFRFSK-MAUKXSAKSA-N 1 3 302.466 1.669 20 10 DDCDHO COC(=O)CCN(C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259286 860340773 /nfs/dbraw/zinc/34/07/73/860340773.db2.gz PIOCEBZTMDYKPM-UHFFFAOYSA-N 1 3 310.394 1.457 20 10 DDCDHO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001161135095 866396629 /nfs/dbraw/zinc/39/66/29/866396629.db2.gz RMIHEIAVBYMIGB-HNNXBMFYSA-N 1 3 324.494 1.120 20 10 DDCDHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001353528675 877403432 /nfs/dbraw/zinc/40/34/32/877403432.db2.gz QGNVRZXDNIYSKI-CZUORRHYSA-N 1 3 321.469 1.344 20 10 DDCDHO COc1cc(Cl)cc(C[NH2+]CCCN2CC[NH2+]CC2)c1[O-] ZINC000841030753 702316540 /nfs/dbraw/zinc/31/65/40/702316540.db2.gz UULQJSPIOMTCSO-UHFFFAOYSA-N 1 3 313.829 1.439 20 10 DDCDHO C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000841063864 702332438 /nfs/dbraw/zinc/33/24/38/702332438.db2.gz RKOQQKLGFUXLNR-CRAIPNDOSA-N 1 3 302.466 1.669 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](CO)C3)cc2)CC1 ZINC001140304769 860616462 /nfs/dbraw/zinc/61/64/62/860616462.db2.gz AYZBIAWEYSLLFM-KRWDZBQOSA-N 1 3 303.450 1.643 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](CO)C3)cc2)CC1 ZINC001140304769 860616465 /nfs/dbraw/zinc/61/64/65/860616465.db2.gz AYZBIAWEYSLLFM-KRWDZBQOSA-N 1 3 303.450 1.643 20 10 DDCDHO C[C@H](C[NH3+])CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336892534 869203209 /nfs/dbraw/zinc/20/32/09/869203209.db2.gz BRKHAPPWGZMYAB-CJNGLKHVSA-N 1 3 321.469 1.249 20 10 DDCDHO CN1CCN(c2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC001353899864 877638820 /nfs/dbraw/zinc/63/88/20/877638820.db2.gz QMBVVVMEZIIPFU-CVEARBPZSA-N 1 3 320.456 1.937 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)N(C)C)cc1 ZINC001355639331 878656582 /nfs/dbraw/zinc/65/65/82/878656582.db2.gz IOLWVZLWQPRSJW-DLBZAZTESA-N 1 3 318.465 1.599 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@H]4C[C@@]4([NH3+])C3)cc2)CC1 ZINC001236027383 889065872 /nfs/dbraw/zinc/06/58/72/889065872.db2.gz OQGWZCRSTXKIPY-SJLPKXTDSA-N 1 3 300.450 1.362 20 10 DDCDHO COc1ccc(O)c([C@H](C)NCC(=O)NC2CC[NH+](C)CC2)c1 ZINC000878360802 706368925 /nfs/dbraw/zinc/36/89/25/706368925.db2.gz SBRSBCRBVMYBIF-LBPRGKRZSA-N 1 3 321.421 1.262 20 10 DDCDHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666716 710916185 /nfs/dbraw/zinc/91/61/85/710916185.db2.gz LACVIEJWWLUIHR-SJORKVTESA-N 1 3 318.465 1.741 20 10 DDCDHO C[C@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[NH2+]1 ZINC001117953662 780960902 /nfs/dbraw/zinc/96/09/02/780960902.db2.gz KVLZFDVEZKIOOU-HOCLYGCPSA-N 1 3 320.456 1.808 20 10 DDCDHO CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122414058 858798482 /nfs/dbraw/zinc/79/84/82/858798482.db2.gz KLVRCFWSJVYTTC-AEFFLSMTSA-N 1 3 320.481 1.989 20 10 DDCDHO CCCN1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139258168 860339537 /nfs/dbraw/zinc/33/95/37/860339537.db2.gz MEDROTIALLBUSU-UHFFFAOYSA-N 1 3 321.465 1.990 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC001140302565 860615502 /nfs/dbraw/zinc/61/55/02/860615502.db2.gz USLPYYZJNVKDQI-HDICACEKSA-N 1 3 315.461 1.907 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC001140302565 860615506 /nfs/dbraw/zinc/61/55/06/860615506.db2.gz USLPYYZJNVKDQI-HDICACEKSA-N 1 3 315.461 1.907 20 10 DDCDHO COc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)c1OC ZINC001333822952 867047247 /nfs/dbraw/zinc/04/72/47/867047247.db2.gz OMTDJIAUNREPIX-QGZVFWFLSA-N 1 3 306.406 1.937 20 10 DDCDHO COc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)c1OC ZINC001333822952 867047268 /nfs/dbraw/zinc/04/72/68/867047268.db2.gz OMTDJIAUNREPIX-QGZVFWFLSA-N 1 3 306.406 1.937 20 10 DDCDHO CN1CCN(c2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC001353899868 877638358 /nfs/dbraw/zinc/63/83/58/877638358.db2.gz QMBVVVMEZIIPFU-HZPDHXFCSA-N 1 3 320.456 1.937 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)CCC2C[NH2+]C2)N(C)C)cc1 ZINC001355640566 878656901 /nfs/dbraw/zinc/65/69/01/878656901.db2.gz QPYQVTZPAFWPEP-KRWDZBQOSA-N 1 3 318.465 1.471 20 10 DDCDHO CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000817417236 702375746 /nfs/dbraw/zinc/37/57/46/702375746.db2.gz IETYMVVSZNQYTB-IBGZPJMESA-N 1 3 316.493 1.964 20 10 DDCDHO CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@@H]1CCC[N@H+]1C ZINC000817417236 702375753 /nfs/dbraw/zinc/37/57/53/702375753.db2.gz IETYMVVSZNQYTB-IBGZPJMESA-N 1 3 316.493 1.964 20 10 DDCDHO CCc1cccc(C[NH+]2CCC(N3CC[C@@H](O)C3)CC2)c1O ZINC000827700034 706052096 /nfs/dbraw/zinc/05/20/96/706052096.db2.gz OKVTULSZHLNOPR-QGZVFWFLSA-N 1 3 304.434 1.986 20 10 DDCDHO CC[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)N(C)C ZINC000891248148 710141347 /nfs/dbraw/zinc/14/13/47/710141347.db2.gz WAHHKGBKKSDEHB-IRXDYDNUSA-N 1 3 320.481 1.812 20 10 DDCDHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135513685 771558508 /nfs/dbraw/zinc/55/85/08/771558508.db2.gz UQUOTVNVWXIPBJ-UHFFFAOYSA-N 1 3 307.438 1.551 20 10 DDCDHO [NH3+][C@H](CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)c1ccccc1[O-] ZINC001158579122 864744120 /nfs/dbraw/zinc/74/41/20/864744120.db2.gz OOPDQYPLBRMMDO-IACUBPJLSA-N 1 3 321.396 1.318 20 10 DDCDHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120574763 782031488 /nfs/dbraw/zinc/03/14/88/782031488.db2.gz XVJNJKKHZASORV-BBRMVZONSA-N 1 3 321.469 1.262 20 10 DDCDHO CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c([O-])c1 ZINC000843125442 702825057 /nfs/dbraw/zinc/82/50/57/702825057.db2.gz WPBGDQUNZKWTJE-HNNXBMFYSA-N 1 3 320.433 1.978 20 10 DDCDHO CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c([O-])c1 ZINC000843125442 702825060 /nfs/dbraw/zinc/82/50/60/702825060.db2.gz WPBGDQUNZKWTJE-HNNXBMFYSA-N 1 3 320.433 1.978 20 10 DDCDHO [O-]c1ccccc1C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000843356682 702865896 /nfs/dbraw/zinc/86/58/96/702865896.db2.gz VOJSIHLLTNFZDZ-KRWDZBQOSA-N 1 3 319.449 1.278 20 10 DDCDHO [O-]c1ccccc1C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000843356682 702865899 /nfs/dbraw/zinc/86/58/99/702865899.db2.gz VOJSIHLLTNFZDZ-KRWDZBQOSA-N 1 3 319.449 1.278 20 10 DDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC000876506227 705738159 /nfs/dbraw/zinc/73/81/59/705738159.db2.gz HMSLEWYDKGJPSU-MRXNPFEDSA-N 1 3 320.481 1.847 20 10 DDCDHO CC[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)N(C)C ZINC000891248146 710141044 /nfs/dbraw/zinc/14/10/44/710141044.db2.gz WAHHKGBKKSDEHB-DLBZAZTESA-N 1 3 320.481 1.812 20 10 DDCDHO COc1ccc(N2CCCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1 ZINC000923323202 714313880 /nfs/dbraw/zinc/31/38/80/714313880.db2.gz VKQADNNNBABHHB-JQFCIGGWSA-N 1 3 305.422 1.058 20 10 DDCDHO O=C1O[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CC12CC[NH2+]CC2 ZINC000925850609 714950840 /nfs/dbraw/zinc/95/08/40/714950840.db2.gz VHXAPMWKCJKVAK-ZIAGYGMSSA-N 1 3 316.401 1.654 20 10 DDCDHO COCCC[NH+]1CCC(NC[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001172242837 776729913 /nfs/dbraw/zinc/72/99/13/776729913.db2.gz HSCSMXDFPACBES-QGZVFWFLSA-N 1 3 324.421 1.222 20 10 DDCDHO CN1CCN(c2ccc(CNC[C@@H]3CCC[NH2+]C3)cc2F)CC1 ZINC001118018717 780990953 /nfs/dbraw/zinc/99/09/53/780990953.db2.gz JEUGOSRVSHCXOZ-MRXNPFEDSA-N 1 3 320.456 1.667 20 10 DDCDHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001275912912 853931822 /nfs/dbraw/zinc/93/18/22/853931822.db2.gz HCOLHYLDMMUUKO-HOTGVXAUSA-N 1 3 307.413 1.742 20 10 DDCDHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001275912912 853931827 /nfs/dbraw/zinc/93/18/27/853931827.db2.gz HCOLHYLDMMUUKO-HOTGVXAUSA-N 1 3 307.413 1.742 20 10 DDCDHO C[NH+]1CCC(NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850405867 703729794 /nfs/dbraw/zinc/72/97/94/703729794.db2.gz IJZVMHXIHQDOKE-UHFFFAOYSA-N 1 3 303.450 1.832 20 10 DDCDHO C[C@@H]1CC[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)C[NH2+]1 ZINC000863484588 705938752 /nfs/dbraw/zinc/93/87/52/705938752.db2.gz JWGULEOVNNNWQH-NVXWUHKLSA-N 1 3 302.466 1.669 20 10 DDCDHO COc1cc(CN2CCCC[C@@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253089 757191885 /nfs/dbraw/zinc/19/18/85/757191885.db2.gz LFLYHIXVZLLKAX-OAHLLOKOSA-N 1 3 308.422 1.809 20 10 DDCDHO COc1ccc(C[NH2+]CCNC(=O)CN2CCC[C@H]2C)cc1C ZINC001133824046 770326756 /nfs/dbraw/zinc/32/67/56/770326756.db2.gz WMUHPKKHOZQNJJ-OAHLLOKOSA-N 1 3 319.449 1.694 20 10 DDCDHO COC[C@@H]1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139256204 860338860 /nfs/dbraw/zinc/33/88/60/860338860.db2.gz WYMNMBHKVUSYFA-CYBMUJFWSA-N 1 3 308.422 1.931 20 10 DDCDHO COc1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)cc1F ZINC000178982582 407683805 /nfs/dbraw/zinc/68/38/05/407683805.db2.gz VWMNNXMZQAFBRT-UHFFFAOYSA-N 1 3 307.413 1.956 20 10 DDCDHO [O-]c1ccc(F)cc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841069915 702335493 /nfs/dbraw/zinc/33/54/93/702335493.db2.gz GANQXRZNRJIDAX-ZDUSSCGKSA-N 1 3 321.318 1.457 20 10 DDCDHO CN(C)c1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000843048174 702807916 /nfs/dbraw/zinc/80/79/16/702807916.db2.gz RSVGBLHTTCQLOU-CQSZACIVSA-N 1 3 322.428 1.179 20 10 DDCDHO C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000843049198 702808164 /nfs/dbraw/zinc/80/81/64/702808164.db2.gz JDARJCMDXVQKIQ-IYBDPMFKSA-N 1 3 302.466 1.621 20 10 DDCDHO C[C@@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[NH2+]1 ZINC001117953660 780961004 /nfs/dbraw/zinc/96/10/04/780961004.db2.gz KVLZFDVEZKIOOU-GDBMZVCRSA-N 1 3 320.456 1.808 20 10 DDCDHO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c([O-])c1 ZINC001275275295 852944431 /nfs/dbraw/zinc/94/44/31/852944431.db2.gz FQKXMPLNHDHOQT-IRXDYDNUSA-N 1 3 319.449 1.611 20 10 DDCDHO COc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c([O-])c1 ZINC001275275295 852944434 /nfs/dbraw/zinc/94/44/34/852944434.db2.gz FQKXMPLNHDHOQT-IRXDYDNUSA-N 1 3 319.449 1.611 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)NC/C=C\C[NH3+])N(C)C)cc1 ZINC001346488708 873774763 /nfs/dbraw/zinc/77/47/63/873774763.db2.gz DANHPZSWQQSRGC-OGZRUICASA-N 1 3 319.453 1.169 20 10 DDCDHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895842 702511953 /nfs/dbraw/zinc/51/19/53/702511953.db2.gz WXEQIIYPFMDFTE-QZTJIDSGSA-N 1 3 303.450 1.865 20 10 DDCDHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162731 702980624 /nfs/dbraw/zinc/98/06/24/702980624.db2.gz NTRNEQRLSJUMOQ-VBQJREDUSA-N 1 3 318.465 1.741 20 10 DDCDHO CN(C)c1ccc(CNC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000844222465 702996247 /nfs/dbraw/zinc/99/62/47/702996247.db2.gz GASZPXQMQHJRFZ-MRXNPFEDSA-N 1 3 318.465 1.430 20 10 DDCDHO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CN1CCCCC1 ZINC000921587494 713814682 /nfs/dbraw/zinc/81/46/82/713814682.db2.gz QMRRGXVQNRXEGK-KRWDZBQOSA-N 1 3 304.434 1.948 20 10 DDCDHO COc1cc(CN2CC[C@H]3COC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259160 860341241 /nfs/dbraw/zinc/34/12/41/860341241.db2.gz KGWANKUWKMEFNS-HOCLYGCPSA-N 1 3 320.433 1.931 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3C)cc2)CC1 ZINC001140301854 860614600 /nfs/dbraw/zinc/61/46/00/860614600.db2.gz BMXNYGMVYMQLLH-CRAIPNDOSA-N 1 3 303.450 1.784 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@H]3C)cc2)CC1 ZINC001140301854 860614603 /nfs/dbraw/zinc/61/46/03/860614603.db2.gz BMXNYGMVYMQLLH-CRAIPNDOSA-N 1 3 303.450 1.784 20 10 DDCDHO CC[NH+]1CCN(c2ccc(CN3CCOC[C@@H](O)C3)cc2)CC1 ZINC001140302345 860615138 /nfs/dbraw/zinc/61/51/38/860615138.db2.gz OUNFLSBHNRRSAZ-SFHVURJKSA-N 1 3 319.449 1.022 20 10 DDCDHO C[NH2+]C1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC001341513374 871688836 /nfs/dbraw/zinc/68/88/36/871688836.db2.gz QEQRWULEYMYSLN-INIZCTEOSA-N 1 3 318.465 1.614 20 10 DDCDHO CC[NH2+]CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001353415272 877310935 /nfs/dbraw/zinc/31/09/35/877310935.db2.gz CVSUHZABCRMVMR-MRXNPFEDSA-N 1 3 321.469 1.264 20 10 DDCDHO CN(C)C[C@H]1CN(C(=O)C2=CCC[NH2+]CC2)c2ccccc2O1 ZINC001353584382 877432370 /nfs/dbraw/zinc/43/23/70/877432370.db2.gz VPXFPYOMZWRXLI-HNNXBMFYSA-N 1 3 315.417 1.652 20 10 DDCDHO COC(=O)Cc1ccc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)c1 ZINC001249215056 893871562 /nfs/dbraw/zinc/87/15/62/893871562.db2.gz VJEVVSMTDNIFPA-CRAIPNDOSA-N 1 3 318.417 1.491 20 10 DDCDHO COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)c(O)c1 ZINC001249215056 893871574 /nfs/dbraw/zinc/87/15/74/893871574.db2.gz VJEVVSMTDNIFPA-CRAIPNDOSA-N 1 3 318.417 1.491 20 10 DDCDHO COC(=O)Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)c(O)c1 ZINC001249215056 893871587 /nfs/dbraw/zinc/87/15/87/893871587.db2.gz VJEVVSMTDNIFPA-CRAIPNDOSA-N 1 3 318.417 1.491 20 10 DDCDHO COc1ccc(O)c(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282443351 409054685 /nfs/dbraw/zinc/05/46/85/409054685.db2.gz UQFRWDITXAAGPI-UHFFFAOYSA-N 1 3 307.438 1.516 20 10 DDCDHO COc1ccc(N2CCN(CCN[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000817893535 702510811 /nfs/dbraw/zinc/51/08/11/702510811.db2.gz GNVQCOZALSZFOP-ZWKOTPCHSA-N 1 3 318.465 1.287 20 10 DDCDHO CN(C)c1ccc([C@H](CNc2ccncc2CO)[NH+](C)C)cc1 ZINC000897523214 708362464 /nfs/dbraw/zinc/36/24/64/708362464.db2.gz RWNWLRKXJUXHTP-SFHVURJKSA-N 1 3 314.433 1.777 20 10 DDCDHO C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)ccc1[O-] ZINC000925859191 714952722 /nfs/dbraw/zinc/95/27/22/714952722.db2.gz WDUDUKKRLXSQTG-DGCLKSJQSA-N 1 3 322.380 1.867 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC001343046980 872481527 /nfs/dbraw/zinc/48/15/27/872481527.db2.gz HTNANEVFVNANPP-QSPRXWTASA-N 1 3 316.449 1.079 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]2C[NH3+])N(C)C)cc1 ZINC001345638046 873462558 /nfs/dbraw/zinc/46/25/58/873462558.db2.gz POTXPKRVOCLSPM-FVQBIDKESA-N 1 3 304.438 1.066 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001346501845 873779556 /nfs/dbraw/zinc/77/95/56/873779556.db2.gz QNGVRPZKXUXIPP-HOCLYGCPSA-N 1 3 319.453 1.016 20 10 DDCDHO Nc1ccc(N(Cc2ccccc2)C(=O)[C@H](N)CCC[NH3+])cc1 ZINC001218955611 877829754 /nfs/dbraw/zinc/82/97/54/877829754.db2.gz NPZANZJUNZQILX-QGZVFWFLSA-N 1 3 312.417 1.868 20 10 DDCDHO COc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000530249330 421589080 /nfs/dbraw/zinc/58/90/80/421589080.db2.gz VSYWZYKBMAZRET-INIZCTEOSA-N 1 3 320.433 1.991 20 10 DDCDHO COc1cccc([O-])c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841088084 702341047 /nfs/dbraw/zinc/34/10/47/702341047.db2.gz WHIPZZVSEGGLPP-UHFFFAOYSA-N 1 3 319.449 1.707 20 10 DDCDHO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817942093 702531661 /nfs/dbraw/zinc/53/16/61/702531661.db2.gz MJPDHXAWRIGXAS-KMFMINBZSA-N 1 3 306.454 1.109 20 10 DDCDHO C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1[O-] ZINC000925857435 714952363 /nfs/dbraw/zinc/95/23/63/714952363.db2.gz ZSZRQTMNPBFLOD-STQMWFEESA-N 1 3 304.390 1.728 20 10 DDCDHO Oc1cc(O)c(CC[NH2+]C2CCN(CC3CC3)CC2)cc1O ZINC001168355809 742248507 /nfs/dbraw/zinc/24/85/07/742248507.db2.gz BKCKFQWBSDTNPJ-UHFFFAOYSA-N 1 3 306.406 1.810 20 10 DDCDHO C[NH2+][C@H](C)CCNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328676241 863142529 /nfs/dbraw/zinc/14/25/29/863142529.db2.gz AUGKCQNSXWPGLS-CQSZACIVSA-N 1 3 308.445 1.665 20 10 DDCDHO [NH3+][C@H](CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)c1ccccc1[O-] ZINC001158579123 864744420 /nfs/dbraw/zinc/74/44/20/864744420.db2.gz OOPDQYPLBRMMDO-KWCYVHTRSA-N 1 3 321.396 1.318 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C23CC(C2)C[NH2+]3)N(C)C)cc1 ZINC001343165569 872523707 /nfs/dbraw/zinc/52/37/07/872523707.db2.gz HZBHTQIKVXROBE-MNQCNDSGSA-N 1 3 316.449 1.224 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)N(C)C)cc1 ZINC001355639333 878656807 /nfs/dbraw/zinc/65/68/07/878656807.db2.gz IOLWVZLWQPRSJW-IAGOWNOFSA-N 1 3 318.465 1.599 20 10 DDCDHO COc1ccc(N2CCC([NH2+]C[C@H]3CNCCCO3)CC2)cc1 ZINC000841087014 702340963 /nfs/dbraw/zinc/34/09/63/702340963.db2.gz RLKBFJOBIWGBAL-GOSISDBHSA-N 1 3 319.449 1.632 20 10 DDCDHO COc1ccc(N2CCC(NC[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000841087014 702340971 /nfs/dbraw/zinc/34/09/71/702340971.db2.gz RLKBFJOBIWGBAL-GOSISDBHSA-N 1 3 319.449 1.632 20 10 DDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000841846674 702583385 /nfs/dbraw/zinc/58/33/85/702583385.db2.gz RRQLPOZYYRVTTE-SFHVURJKSA-N 1 3 324.428 1.786 20 10 DDCDHO CN(C)c1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000843048173 702807807 /nfs/dbraw/zinc/80/78/07/702807807.db2.gz RSVGBLHTTCQLOU-AWEZNQCLSA-N 1 3 322.428 1.179 20 10 DDCDHO CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c([O-])c1 ZINC000843122605 702824186 /nfs/dbraw/zinc/82/41/86/702824186.db2.gz NKFSGUXQQOVBLL-OAHLLOKOSA-N 1 3 305.422 1.270 20 10 DDCDHO CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c([O-])c1 ZINC000843122605 702824189 /nfs/dbraw/zinc/82/41/89/702824189.db2.gz NKFSGUXQQOVBLL-OAHLLOKOSA-N 1 3 305.422 1.270 20 10 DDCDHO CN(C)C[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)c2ccccc2O1 ZINC000852872448 704156751 /nfs/dbraw/zinc/15/67/51/704156751.db2.gz MUGAVKQRLSMWPB-HNNXBMFYSA-N 1 3 315.417 1.652 20 10 DDCDHO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000878454905 706392621 /nfs/dbraw/zinc/39/26/21/706392621.db2.gz KPQORWBHSVVCGE-CQSZACIVSA-N 1 3 318.465 1.614 20 10 DDCDHO CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122414060 858798350 /nfs/dbraw/zinc/79/83/50/858798350.db2.gz KLVRCFWSJVYTTC-SJLPKXTDSA-N 1 3 320.481 1.989 20 10 DDCDHO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)[NH3+] ZINC001343046662 872481463 /nfs/dbraw/zinc/48/14/63/872481463.db2.gz DQGUQBLZOSLIGH-WWGRRREGSA-N 1 3 306.454 1.455 20 10 DDCDHO CN(C)C[C@@H]1CN(C(=O)C2=CCC[NH2+]CC2)c2ccccc2O1 ZINC001353584383 877432349 /nfs/dbraw/zinc/43/23/49/877432349.db2.gz VPXFPYOMZWRXLI-OAHLLOKOSA-N 1 3 315.417 1.652 20 10 DDCDHO Cc1cc(Cl)cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1[O-] ZINC001222104601 880257346 /nfs/dbraw/zinc/25/73/46/880257346.db2.gz ISGJTJDKUXVZKN-UHFFFAOYSA-N 1 3 309.841 1.881 20 10 DDCDHO Cc1cc(Cl)cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1[O-] ZINC001222104601 880257357 /nfs/dbraw/zinc/25/73/57/880257357.db2.gz ISGJTJDKUXVZKN-UHFFFAOYSA-N 1 3 309.841 1.881 20 10 DDCDHO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000841063865 702332874 /nfs/dbraw/zinc/33/28/74/702332874.db2.gz RKOQQKLGFUXLNR-MAUKXSAKSA-N 1 3 302.466 1.669 20 10 DDCDHO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)C1 ZINC000817889570 702509842 /nfs/dbraw/zinc/50/98/42/702509842.db2.gz PMOJIIXFBMDIOD-HYVNUMGLSA-N 1 3 316.449 1.358 20 10 DDCDHO CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c([O-])c1 ZINC000843125443 702825091 /nfs/dbraw/zinc/82/50/91/702825091.db2.gz WPBGDQUNZKWTJE-OAHLLOKOSA-N 1 3 320.433 1.978 20 10 DDCDHO CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c([O-])c1 ZINC000843125443 702825094 /nfs/dbraw/zinc/82/50/94/702825094.db2.gz WPBGDQUNZKWTJE-OAHLLOKOSA-N 1 3 320.433 1.978 20 10 DDCDHO CCN1CCN(c2ccc(CN3CC[C@](C)([NH3+])C3)cc2)CC1 ZINC001204783022 741079055 /nfs/dbraw/zinc/07/90/55/741079055.db2.gz NLFDKUZVMBHYFW-SFHVURJKSA-N 1 3 302.466 1.752 20 10 DDCDHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc(O)c(O)c1)C2 ZINC001275821733 853818535 /nfs/dbraw/zinc/81/85/35/853818535.db2.gz YIAPNFPILQJPRO-CABCVRRESA-N 1 3 305.422 1.166 20 10 DDCDHO CN1CCC([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001139404324 860388051 /nfs/dbraw/zinc/38/80/51/860388051.db2.gz AHRSYAVOPFTKAC-UHFFFAOYSA-N 1 3 316.493 1.964 20 10 DDCDHO CN1CCC([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001139404324 860388057 /nfs/dbraw/zinc/38/80/57/860388057.db2.gz AHRSYAVOPFTKAC-UHFFFAOYSA-N 1 3 316.493 1.964 20 10 DDCDHO CC[NH+]1CCN(c2ccc(CN3CCOC[C@H](O)C3)cc2)CC1 ZINC001140302344 860615445 /nfs/dbraw/zinc/61/54/45/860615445.db2.gz OUNFLSBHNRRSAZ-GOSISDBHSA-N 1 3 319.449 1.022 20 10 DDCDHO CN1CCN(c2ccc(CNCCC[NH2+]C3CC3)cc2F)CC1 ZINC001325321280 867943307 /nfs/dbraw/zinc/94/33/07/867943307.db2.gz UBLMJVLDTHXRSO-UHFFFAOYSA-N 1 3 320.456 1.809 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)NCCC[NH3+])N(C)C)cc1 ZINC001335537417 868369554 /nfs/dbraw/zinc/36/95/54/868369554.db2.gz KRYYUPZPBRWKOT-OAHLLOKOSA-N 1 3 307.442 1.003 20 10 DDCDHO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)c(O)c1OC ZINC001308984390 871544120 /nfs/dbraw/zinc/54/41/20/871544120.db2.gz IGOGPNQRTOUGBN-MELADBBJSA-N 1 3 306.406 1.839 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@H](F)C[C@H]([NH3+])C3)cc2)CC1 ZINC001206424415 872306176 /nfs/dbraw/zinc/30/61/76/872306176.db2.gz PNALTRNMHYARAZ-SJORKVTESA-N 1 3 320.456 1.700 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)CC1 ZINC001235997169 889054044 /nfs/dbraw/zinc/05/40/44/889054044.db2.gz VAIOJROSNTVAAE-PKOBYXMFSA-N 1 3 314.477 1.752 20 10 DDCDHO CCN1CCN(c2ccc(CN(C3CC3)C3C[NH2+]C3)cc2)CC1 ZINC001236063303 889092177 /nfs/dbraw/zinc/09/21/77/889092177.db2.gz DWWGRDMHSINHDV-UHFFFAOYSA-N 1 3 314.477 1.765 20 10 DDCDHO CN(C)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282503690 409056805 /nfs/dbraw/zinc/05/68/05/409056805.db2.gz WVUBJEHWXCGXJU-UHFFFAOYSA-N 1 3 304.482 1.868 20 10 DDCDHO COc1cc(Cl)cc(CN2CCC(O)(C[NH3+])CC2)c1O ZINC000397110762 699114316 /nfs/dbraw/zinc/11/43/16/699114316.db2.gz RKMVESWRXCSWJX-UHFFFAOYSA-N 1 3 300.786 1.340 20 10 DDCDHO CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879653536 706750315 /nfs/dbraw/zinc/75/03/15/706750315.db2.gz RORHXLYGYDPZHC-ZDUSSCGKSA-N 1 3 305.422 1.643 20 10 DDCDHO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)[NH3+] ZINC001343046660 872481692 /nfs/dbraw/zinc/48/16/92/872481692.db2.gz DQGUQBLZOSLIGH-DVOMOZLQSA-N 1 3 306.454 1.455 20 10 DDCDHO [NH3+][C@H](CC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1[O-] ZINC001220681134 879183815 /nfs/dbraw/zinc/18/38/15/879183815.db2.gz WXUVHDMFGYFUKX-UKTARXLSSA-N 1 3 303.406 1.571 20 10 DDCDHO C[C@H](CC[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120630414 782063112 /nfs/dbraw/zinc/06/31/12/782063112.db2.gz AQRKESOEOZULLE-CZUORRHYSA-N 1 3 321.469 1.392 20 10 DDCDHO COc1cccc(O)c1CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762484816 700894056 /nfs/dbraw/zinc/89/40/56/700894056.db2.gz WJGKDVDMGLRJGQ-CQSZACIVSA-N 1 3 308.422 1.991 20 10 DDCDHO COc1cccc(O)c1CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000762484816 700894057 /nfs/dbraw/zinc/89/40/57/700894057.db2.gz WJGKDVDMGLRJGQ-CQSZACIVSA-N 1 3 308.422 1.991 20 10 DDCDHO CN(C)c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000877747607 706197433 /nfs/dbraw/zinc/19/74/33/706197433.db2.gz UBLMXEMMUIQYMA-UHFFFAOYSA-N 1 3 316.493 1.964 20 10 DDCDHO CN1CCOc2cc(CN3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)ccc21 ZINC001141142221 860794147 /nfs/dbraw/zinc/79/41/47/860794147.db2.gz KFDYVQNNBZGPRV-CVEARBPZSA-N 1 3 301.434 1.899 20 10 DDCDHO CN1CCOc2cc(CN3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)ccc21 ZINC001141142221 860794149 /nfs/dbraw/zinc/79/41/49/860794149.db2.gz KFDYVQNNBZGPRV-CVEARBPZSA-N 1 3 301.434 1.899 20 10 DDCDHO CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC[NH2+]CC1 ZINC001349313743 875106887 /nfs/dbraw/zinc/10/68/87/875106887.db2.gz IVXBWUDKSMAWTB-UHFFFAOYSA-N 1 3 320.456 1.761 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)CCC2C[NH2+]C2)N(C)C)cc1 ZINC001355640567 878657073 /nfs/dbraw/zinc/65/70/73/878657073.db2.gz QPYQVTZPAFWPEP-QGZVFWFLSA-N 1 3 318.465 1.471 20 10 DDCDHO COc1cc(C)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222104804 880255260 /nfs/dbraw/zinc/25/52/60/880255260.db2.gz LKSCDFVUXXXMHJ-UHFFFAOYSA-N 1 3 305.422 1.237 20 10 DDCDHO COc1cc(C)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222104804 880255269 /nfs/dbraw/zinc/25/52/69/880255269.db2.gz LKSCDFVUXXXMHJ-UHFFFAOYSA-N 1 3 305.422 1.237 20 10 DDCDHO C[C@@H](CC[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120630415 782063564 /nfs/dbraw/zinc/06/35/64/782063564.db2.gz AQRKESOEOZULLE-XJKSGUPXSA-N 1 3 321.469 1.392 20 10 DDCDHO CN1CCN(c2ccc(CN3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000775675051 698021711 /nfs/dbraw/zinc/02/17/11/698021711.db2.gz QOLFNOXNHHTOEC-LJQANCHMSA-N 1 3 316.493 1.964 20 10 DDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc2c(c1)CCCN2C ZINC000817898864 702512479 /nfs/dbraw/zinc/51/24/79/702512479.db2.gz BUBOSGSFGMHZHL-JQFCIGGWSA-N 1 3 303.450 1.911 20 10 DDCDHO C[C@H]1CC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)C[NH2+]1 ZINC000863484590 705938720 /nfs/dbraw/zinc/93/87/20/705938720.db2.gz JWGULEOVNNNWQH-RDJZCZTQSA-N 1 3 302.466 1.669 20 10 DDCDHO COc1cc(CN2CCC[C@@H](O)CC2)cc(C[NH+](C)C)c1O ZINC001139253024 860336990 /nfs/dbraw/zinc/33/69/90/860336990.db2.gz IZFQYMCDKSLOIH-OAHLLOKOSA-N 1 3 308.422 1.809 20 10 DDCDHO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817942096 702531742 /nfs/dbraw/zinc/53/17/42/702531742.db2.gz MJPDHXAWRIGXAS-UKPHBRMFSA-N 1 3 306.454 1.109 20 10 DDCDHO C[C@@H](C[NH3+])CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336892536 869203789 /nfs/dbraw/zinc/20/37/89/869203789.db2.gz BRKHAPPWGZMYAB-XJKSGUPXSA-N 1 3 321.469 1.249 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)NCC2([NH3+])CC2)N(C)C)cc1 ZINC001337024036 869271840 /nfs/dbraw/zinc/27/18/40/869271840.db2.gz JQSKGGFVLLLJIT-HNNXBMFYSA-N 1 3 319.453 1.146 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C2([NH3+])CCCC2)N(C)C)cc1 ZINC001345647992 873464918 /nfs/dbraw/zinc/46/49/18/873464918.db2.gz TZVXHBDZMGWNMV-INIZCTEOSA-N 1 3 318.465 1.743 20 10 DDCDHO [NH3+][C@H](CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1[O-] ZINC001219609822 878391172 /nfs/dbraw/zinc/39/11/72/878391172.db2.gz FJUKVJHNUCZAJM-ZWNOBZJWSA-N 1 3 317.311 1.193 20 10 DDCDHO [NH3+][C@H](CC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)c1ccccc1[O-] ZINC001220778999 879249705 /nfs/dbraw/zinc/24/97/05/879249705.db2.gz IQJPVJWJOPXKPK-XYPHTWIQSA-N 1 3 303.406 1.702 20 10 DDCDHO CCN1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CC[C@H]43)cc2)CC1 ZINC001235043981 888358579 /nfs/dbraw/zinc/35/85/79/888358579.db2.gz HZRCRLNLBGZRHU-RBUKOAKNSA-N 1 3 314.477 1.765 20 10 DDCDHO CN1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000843128889 702825376 /nfs/dbraw/zinc/82/53/76/702825376.db2.gz YNBRFEGXYMGXEV-MJGOQNOKSA-N 1 3 314.477 1.622 20 10 DDCDHO CN1CCN(c2ccc(C[NH2+][C@H]3CN4C[C@@H]3CCC4)cc2)CC1 ZINC000926855263 712913080 /nfs/dbraw/zinc/91/30/80/712913080.db2.gz SOLMEEXOLIJSBR-HKUYNNGSSA-N 1 3 314.477 1.622 20 10 DDCDHO CN(C)c1ccc(/C=C/C(=O)N(CCCC[NH3+])C(=N)N)cc1 ZINC001180130125 779617090 /nfs/dbraw/zinc/61/70/90/779617090.db2.gz XDKCRXJXAKEKSF-JXMROGBWSA-N 1 3 303.410 1.227 20 10 DDCDHO COc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(O)c1OC ZINC001333822951 867048024 /nfs/dbraw/zinc/04/80/24/867048024.db2.gz OMTDJIAUNREPIX-KRWDZBQOSA-N 1 3 306.406 1.937 20 10 DDCDHO COc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(O)c1OC ZINC001333822951 867048035 /nfs/dbraw/zinc/04/80/35/867048035.db2.gz OMTDJIAUNREPIX-KRWDZBQOSA-N 1 3 306.406 1.937 20 10 DDCDHO CN1CCN(c2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC001353899866 877637770 /nfs/dbraw/zinc/63/77/70/877637770.db2.gz QMBVVVMEZIIPFU-HOTGVXAUSA-N 1 3 320.456 1.937 20 10 DDCDHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841031856 702316797 /nfs/dbraw/zinc/31/67/97/702316797.db2.gz ZJXHNKAUBZLJGF-HOCLYGCPSA-N 1 3 307.413 1.879 20 10 DDCDHO c1cc(N2CCOCC2)ccc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515058 714386185 /nfs/dbraw/zinc/38/61/85/714386185.db2.gz BNFDVHZRFWLMNZ-DLBZAZTESA-N 1 3 301.434 1.565 20 10 DDCDHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001168763929 754624015 /nfs/dbraw/zinc/62/40/15/754624015.db2.gz VEHYAULYXWKBHO-UHFFFAOYSA-N 1 3 321.465 1.941 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C[NH2+]C(C)(C)C)N(C)C)cc1 ZINC001333580501 866859300 /nfs/dbraw/zinc/85/93/00/866859300.db2.gz FQVYSDDGPJSDKZ-INIZCTEOSA-N 1 3 320.481 1.860 20 10 DDCDHO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)c(O)c1OC ZINC001308984389 871544069 /nfs/dbraw/zinc/54/40/69/871544069.db2.gz IGOGPNQRTOUGBN-HZSPNIEDSA-N 1 3 306.406 1.839 20 10 DDCDHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343048606 872481797 /nfs/dbraw/zinc/48/17/97/872481797.db2.gz WDBULBPESOCPQL-JQFCIGGWSA-N 1 3 320.481 1.845 20 10 DDCDHO C[NH2+]CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001262583707 900261605 /nfs/dbraw/zinc/26/16/05/900261605.db2.gz HFKUOMGDKLIVGF-MRXNPFEDSA-N 1 3 321.469 1.264 20 10 DDCDHO C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297631729 132026215 /nfs/dbraw/zinc/02/62/15/132026215.db2.gz JHYYYJBINBOZHN-MRXNPFEDSA-N 1 3 303.450 1.995 20 10 DDCDHO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000840975061 702298639 /nfs/dbraw/zinc/29/86/39/702298639.db2.gz UFIPJBIWCDVPNU-KRWDZBQOSA-N 1 3 302.466 1.622 20 10 DDCDHO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000844223926 702996593 /nfs/dbraw/zinc/99/65/93/702996593.db2.gz BAKOUPZFLHRMOH-IAGOWNOFSA-N 1 3 318.465 1.571 20 10 DDCDHO CN1CCN(c2ccc(C[NH2+]CCCN3CCC3)cc2)CC1 ZINC001326795727 861614194 /nfs/dbraw/zinc/61/41/94/861614194.db2.gz IKKKZONELWPKAU-UHFFFAOYSA-N 1 3 302.466 1.624 20 10 DDCDHO COc1cc(Cl)cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205240674 871453513 /nfs/dbraw/zinc/45/35/13/871453513.db2.gz MSHHFTVBFUWWQK-OAHLLOKOSA-N 1 3 314.813 1.730 20 10 DDCDHO COc1cc(Cl)cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205240674 871453517 /nfs/dbraw/zinc/45/35/17/871453517.db2.gz MSHHFTVBFUWWQK-OAHLLOKOSA-N 1 3 314.813 1.730 20 10 DDCDHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205673367 871687929 /nfs/dbraw/zinc/68/79/29/871687929.db2.gz PWBPYFFNLYJUSW-SFHVURJKSA-N 1 3 319.449 1.199 20 10 DDCDHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205673367 871687939 /nfs/dbraw/zinc/68/79/39/871687939.db2.gz PWBPYFFNLYJUSW-SFHVURJKSA-N 1 3 319.449 1.199 20 10 DDCDHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205673367 871687951 /nfs/dbraw/zinc/68/79/51/871687951.db2.gz PWBPYFFNLYJUSW-SFHVURJKSA-N 1 3 319.449 1.199 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC001236283050 889161200 /nfs/dbraw/zinc/16/12/00/889161200.db2.gz DTNQCOHUSJCSJN-FUHWJXTLSA-N 1 3 300.450 1.232 20 10 DDCDHO Cc1cccc(O)c1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876715006 705834710 /nfs/dbraw/zinc/83/47/10/705834710.db2.gz ISKDRILAUYKVFR-INIZCTEOSA-N 1 3 303.450 1.912 20 10 DDCDHO Cc1cccc(O)c1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000876715006 705834713 /nfs/dbraw/zinc/83/47/13/705834713.db2.gz ISKDRILAUYKVFR-INIZCTEOSA-N 1 3 303.450 1.912 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000891247092 710140680 /nfs/dbraw/zinc/14/06/80/710140680.db2.gz HGLHPZBYVPFDJR-NVXWUHKLSA-N 1 3 318.465 1.423 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000891247092 710140682 /nfs/dbraw/zinc/14/06/82/710140682.db2.gz HGLHPZBYVPFDJR-NVXWUHKLSA-N 1 3 318.465 1.423 20 10 DDCDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099464 776621290 /nfs/dbraw/zinc/62/12/90/776621290.db2.gz IBJATGLRUJVSEO-ZJOBFFGXSA-N 1 3 306.406 1.736 20 10 DDCDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099464 776621297 /nfs/dbraw/zinc/62/12/97/776621297.db2.gz IBJATGLRUJVSEO-ZJOBFFGXSA-N 1 3 306.406 1.736 20 10 DDCDHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275913142 853935378 /nfs/dbraw/zinc/93/53/78/853935378.db2.gz JCHFPLXYMFBRKP-CJNGLKHVSA-N 1 3 307.413 1.599 20 10 DDCDHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275913142 853935386 /nfs/dbraw/zinc/93/53/86/853935386.db2.gz JCHFPLXYMFBRKP-CJNGLKHVSA-N 1 3 307.413 1.599 20 10 DDCDHO COc1cc(CN2CCN3CC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259699 860340222 /nfs/dbraw/zinc/34/02/22/860340222.db2.gz AQNWYXRXPAMRQQ-OAHLLOKOSA-N 1 3 305.422 1.352 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@H]([NH3+])C[C@@H](F)C3)cc2)CC1 ZINC001206424413 872305934 /nfs/dbraw/zinc/30/59/34/872305934.db2.gz PNALTRNMHYARAZ-IAGOWNOFSA-N 1 3 320.456 1.700 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C2(C)C[NH2+]C2)N(C)C)cc1 ZINC001343166623 872524291 /nfs/dbraw/zinc/52/42/91/872524291.db2.gz VKDDEXQDDZDCNR-HNNXBMFYSA-N 1 3 304.438 1.081 20 10 DDCDHO CN1CCN(c2ccc(CN[C@H]3CCC[NH2+]CC3)cc2F)CC1 ZINC001348514749 874606122 /nfs/dbraw/zinc/60/61/22/874606122.db2.gz GSDMAWYNGSBGFM-INIZCTEOSA-N 1 3 320.456 1.809 20 10 DDCDHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841031854 702316303 /nfs/dbraw/zinc/31/63/03/702316303.db2.gz ZJXHNKAUBZLJGF-GDBMZVCRSA-N 1 3 307.413 1.879 20 10 DDCDHO C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1[O-] ZINC000817972673 702540132 /nfs/dbraw/zinc/54/01/32/702540132.db2.gz NMTDQOLYHAONAJ-FZMZJTMJSA-N 1 3 317.355 1.879 20 10 DDCDHO C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C[NH2+]1 ZINC000843119944 702823484 /nfs/dbraw/zinc/82/34/84/702823484.db2.gz PPRJFQBSYHSCMK-HZPDHXFCSA-N 1 3 302.466 1.621 20 10 DDCDHO COc1cccc([O-])c1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000850353613 703726487 /nfs/dbraw/zinc/72/64/87/703726487.db2.gz ILKJRKXFXDDLPV-AWEZNQCLSA-N 1 3 309.454 1.762 20 10 DDCDHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCOCC2)cc1 ZINC000924750974 714655735 /nfs/dbraw/zinc/65/57/35/714655735.db2.gz HVFFIKRWYYSLSW-JJTKIYQPSA-N 1 3 315.461 1.953 20 10 DDCDHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(N2CCOCC2)cc1 ZINC000924750974 714655736 /nfs/dbraw/zinc/65/57/36/714655736.db2.gz HVFFIKRWYYSLSW-JJTKIYQPSA-N 1 3 315.461 1.953 20 10 DDCDHO CN1CCCc2cc(CN3CCCC[C@@](O)(C[NH3+])C3)ccc21 ZINC001205673882 871688133 /nfs/dbraw/zinc/68/81/33/871688133.db2.gz VGHYRJJIKWMPEH-GOSISDBHSA-N 1 3 303.450 1.745 20 10 DDCDHO CN1CCCc2cc(C[N@@H+]3CCCC[C@@](O)(CN)C3)ccc21 ZINC001205673882 871688139 /nfs/dbraw/zinc/68/81/39/871688139.db2.gz VGHYRJJIKWMPEH-GOSISDBHSA-N 1 3 303.450 1.745 20 10 DDCDHO CN1CCCc2cc(C[N@H+]3CCCC[C@@](O)(CN)C3)ccc21 ZINC001205673882 871688145 /nfs/dbraw/zinc/68/81/45/871688145.db2.gz VGHYRJJIKWMPEH-GOSISDBHSA-N 1 3 303.450 1.745 20 10 DDCDHO C[NH2+]C1CC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001342291469 872130763 /nfs/dbraw/zinc/13/07/63/872130763.db2.gz HMPDAAYVSKYQCL-DQPZFDDXSA-N 1 3 318.465 1.470 20 10 DDCDHO CCOCc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1OC ZINC000077450166 353469151 /nfs/dbraw/zinc/46/91/51/353469151.db2.gz ZFCWDFWBMLZKOH-UHFFFAOYSA-N 1 3 322.449 1.778 20 10 DDCDHO C[C@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817936918 702529583 /nfs/dbraw/zinc/52/95/83/702529583.db2.gz SCCRBJVWVVNAEB-GXTWGEPZSA-N 1 3 307.413 1.965 20 10 DDCDHO CC(C)[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N(C)C ZINC000844162701 702980538 /nfs/dbraw/zinc/98/05/38/702980538.db2.gz MOTOJTNBRUQQDP-JKSUJKDBSA-N 1 3 306.454 1.455 20 10 DDCDHO COc1ccc(N2CCCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000844222180 702995993 /nfs/dbraw/zinc/99/59/93/702995993.db2.gz ZERGSWHXAHTTPX-UHFFFAOYSA-N 1 3 318.465 1.113 20 10 DDCDHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273004 706882681 /nfs/dbraw/zinc/88/26/81/706882681.db2.gz LDPCDPZPDOIRKF-IAGOWNOFSA-N 1 3 318.465 1.743 20 10 DDCDHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000922388377 714036735 /nfs/dbraw/zinc/03/67/35/714036735.db2.gz PIVPDPDAKUQGMA-DDBAPUKQSA-N 1 3 304.434 1.962 20 10 DDCDHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000922388377 714036738 /nfs/dbraw/zinc/03/67/38/714036738.db2.gz PIVPDPDAKUQGMA-DDBAPUKQSA-N 1 3 304.434 1.962 20 10 DDCDHO COc1cc(CN2CCN(C(C)C)CC2)cc(C[NH+](C)C)c1O ZINC001139252947 860337174 /nfs/dbraw/zinc/33/71/74/860337174.db2.gz GKCWFHKNGDOFGC-UHFFFAOYSA-N 1 3 321.465 1.988 20 10 DDCDHO COc1cc(CN2CCN(C)C(C)(C)C2)cc(C[NH+](C)C)c1O ZINC001139258769 860339017 /nfs/dbraw/zinc/33/90/17/860339017.db2.gz VSHIBIXUPXSSFB-UHFFFAOYSA-N 1 3 321.465 1.988 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)N(C)C)cc1 ZINC001355639310 878657165 /nfs/dbraw/zinc/65/71/65/878657165.db2.gz IDCWXLNXACYWQU-WMZOPIPTSA-N 1 3 318.465 1.471 20 10 DDCDHO [NH3+][C@H](CC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1[O-] ZINC001220163053 878765105 /nfs/dbraw/zinc/76/51/05/878765105.db2.gz OKGHPPBLJILXCS-JCKWVBRZSA-N 1 3 317.433 1.821 20 10 DDCDHO COc1ccc(C[NH2+]CCNC(=O)C2(N(C)C)CCC2)cc1C ZINC001129358735 762863645 /nfs/dbraw/zinc/86/36/45/762863645.db2.gz WRLCFDGNAYCGDM-UHFFFAOYSA-N 1 3 319.449 1.694 20 10 DDCDHO CCN1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C[C@H]1C ZINC001139259913 860340507 /nfs/dbraw/zinc/34/05/07/860340507.db2.gz KDQPTYVFFYYGDJ-CQSZACIVSA-N 1 3 321.465 1.988 20 10 DDCDHO CN1CC2(C1)CC[N@H+](Cc1ccc(N3CCN(C)CC3)cc1)C2 ZINC001139411023 860390119 /nfs/dbraw/zinc/39/01/19/860390119.db2.gz QPKNYPTWBJMHEC-UHFFFAOYSA-N 1 3 314.477 1.576 20 10 DDCDHO CN1CC2(C1)CC[N@@H+](Cc1ccc(N3CCN(C)CC3)cc1)C2 ZINC001139411023 860390127 /nfs/dbraw/zinc/39/01/27/860390127.db2.gz QPKNYPTWBJMHEC-UHFFFAOYSA-N 1 3 314.477 1.576 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC001342293245 872130082 /nfs/dbraw/zinc/13/00/82/872130082.db2.gz PQVDYTKDFORIRV-DOTOQJQBSA-N 1 3 318.465 1.614 20 10 DDCDHO CC(C)[NH2+]CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001342291867 872130579 /nfs/dbraw/zinc/13/05/79/872130579.db2.gz LADHVVHPLLYERI-KRWDZBQOSA-N 1 3 320.481 1.860 20 10 DDCDHO CC[C@@H]([NH2+]C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343046771 872480755 /nfs/dbraw/zinc/48/07/55/872480755.db2.gz GHRVVEHJIHSQFQ-HZPDHXFCSA-N 1 3 306.454 1.470 20 10 DDCDHO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1OC ZINC000292194344 408998769 /nfs/dbraw/zinc/99/87/69/408998769.db2.gz ZFKNMJQUQXJEOF-KRWDZBQOSA-N 1 3 306.406 1.937 20 10 DDCDHO COc1cc(O)c(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1OC ZINC000292194344 408998772 /nfs/dbraw/zinc/99/87/72/408998772.db2.gz ZFKNMJQUQXJEOF-KRWDZBQOSA-N 1 3 306.406 1.937 20 10 DDCDHO C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1[O-] ZINC000817972674 702540148 /nfs/dbraw/zinc/54/01/48/702540148.db2.gz NMTDQOLYHAONAJ-RISCZKNCSA-N 1 3 317.355 1.879 20 10 DDCDHO C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834571166 707088326 /nfs/dbraw/zinc/08/83/26/707088326.db2.gz PHMXFLVZIXHWIE-INIZCTEOSA-N 1 3 303.450 1.997 20 10 DDCDHO C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834571166 707088328 /nfs/dbraw/zinc/08/83/28/707088328.db2.gz PHMXFLVZIXHWIE-INIZCTEOSA-N 1 3 303.450 1.997 20 10 DDCDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099463 776621777 /nfs/dbraw/zinc/62/17/77/776621777.db2.gz IBJATGLRUJVSEO-VWPFQQQWSA-N 1 3 306.406 1.736 20 10 DDCDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099463 776621782 /nfs/dbraw/zinc/62/17/82/776621782.db2.gz IBJATGLRUJVSEO-VWPFQQQWSA-N 1 3 306.406 1.736 20 10 DDCDHO C[NH2+]CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122327980 858755506 /nfs/dbraw/zinc/75/55/06/858755506.db2.gz APBBWIIWEZUUGC-MRXNPFEDSA-N 1 3 306.454 1.471 20 10 DDCDHO C[NH2+]CCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122328673 858756663 /nfs/dbraw/zinc/75/66/63/858756663.db2.gz RRPJHCHFLLIVHI-QGZVFWFLSA-N 1 3 320.481 1.861 20 10 DDCDHO COc1cc(CN2CC[C@@H](CO)[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139253160 860336735 /nfs/dbraw/zinc/33/67/35/860336735.db2.gz ODJFTMULHBQGNN-OCCSQVGLSA-N 1 3 308.422 1.665 20 10 DDCDHO CCN(CC[NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335723439 868496943 /nfs/dbraw/zinc/49/69/43/868496943.db2.gz QQSMKXBWRALJII-MRXNPFEDSA-N 1 3 321.469 1.346 20 10 DDCDHO CCN1CCN(c2ccc(CN3CC(C)(C[NH3+])C3)cc2)CC1 ZINC001206723723 872535695 /nfs/dbraw/zinc/53/56/95/872535695.db2.gz UGLKFDUSQAPHIM-UHFFFAOYSA-N 1 3 302.466 1.609 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)NC/C=C/C[NH3+])N(C)C)cc1 ZINC001346488705 873774444 /nfs/dbraw/zinc/77/44/44/873774444.db2.gz DANHPZSWQQSRGC-JFDDCEBESA-N 1 3 319.453 1.169 20 10 DDCDHO [NH3+][C@H](CC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1)c1ccccc1[O-] ZINC001221408319 879760921 /nfs/dbraw/zinc/76/09/21/879760921.db2.gz IJJMBYFIJTZKCR-PBHICJAKSA-N 1 3 303.406 1.286 20 10 DDCDHO CCN1CCN(c2ccc(CN3CC[C@H]4[NH2+]CC[C@H]43)cc2)CC1 ZINC001235074940 888398000 /nfs/dbraw/zinc/39/80/00/888398000.db2.gz HZRCRLNLBGZRHU-RTBURBONSA-N 1 3 314.477 1.765 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@H]4CC[C@@]4([NH3+])C3)cc2)CC1 ZINC001235995906 889051923 /nfs/dbraw/zinc/05/19/23/889051923.db2.gz ROLSDVIQPMOADD-SJLPKXTDSA-N 1 3 300.450 1.362 20 10 DDCDHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179633703 697440068 /nfs/dbraw/zinc/44/00/68/697440068.db2.gz GNEUNIFOZJKWLO-KRWDZBQOSA-N 1 3 303.450 1.907 20 10 DDCDHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179633703 697440070 /nfs/dbraw/zinc/44/00/70/697440070.db2.gz GNEUNIFOZJKWLO-KRWDZBQOSA-N 1 3 303.450 1.907 20 10 DDCDHO Cc1cccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1O ZINC000841100135 702345396 /nfs/dbraw/zinc/34/53/96/702345396.db2.gz VODUPEMHVFZLJP-OAHLLOKOSA-N 1 3 301.394 1.588 20 10 DDCDHO Cc1cccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1O ZINC000841100135 702345402 /nfs/dbraw/zinc/34/54/02/702345402.db2.gz VODUPEMHVFZLJP-OAHLLOKOSA-N 1 3 301.394 1.588 20 10 DDCDHO COc1cc(CN2C[C@@H]3C[C@H]2CN3C)cc(C[NH+](C)C)c1O ZINC001139259227 860340326 /nfs/dbraw/zinc/34/03/26/860340326.db2.gz NNKQYZWZRRUFIA-GJZGRUSLSA-N 1 3 305.422 1.351 20 10 DDCDHO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c([O-])c1 ZINC001203628789 870681507 /nfs/dbraw/zinc/68/15/07/870681507.db2.gz FQKXMPLNHDHOQT-DLBZAZTESA-N 1 3 319.449 1.611 20 10 DDCDHO COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c([O-])c1 ZINC001203628789 870681513 /nfs/dbraw/zinc/68/15/13/870681513.db2.gz FQKXMPLNHDHOQT-DLBZAZTESA-N 1 3 319.449 1.611 20 10 DDCDHO CN1CCN(c2ccc(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000843128888 702825447 /nfs/dbraw/zinc/82/54/47/702825447.db2.gz YNBRFEGXYMGXEV-IEBWSBKVSA-N 1 3 314.477 1.622 20 10 DDCDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849025326 703612258 /nfs/dbraw/zinc/61/22/58/703612258.db2.gz ZBDQFGGSZJKQEL-ZDUSSCGKSA-N 1 3 306.410 1.499 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@H]4CCC[C@]4([NH3+])C3)cc2)CC1 ZINC000857226250 704565919 /nfs/dbraw/zinc/56/59/19/704565919.db2.gz JAYUETDJVOHKSC-MJGOQNOKSA-N 1 3 314.477 1.752 20 10 DDCDHO CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343164959 872521706 /nfs/dbraw/zinc/52/17/06/872521706.db2.gz CTJAVEXFRWHKOA-IRXDYDNUSA-N 1 3 320.481 1.845 20 10 DDCDHO COc1ccc(CN(CCO)C2CC[NH+](C)CC2)c(O)c1OC ZINC000891401977 710186569 /nfs/dbraw/zinc/18/65/69/710186569.db2.gz MIQCVNHZDRCTDQ-UHFFFAOYSA-N 1 3 324.421 1.298 20 10 DDCDHO CC(C)[NH2+]CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001342291868 872129977 /nfs/dbraw/zinc/12/99/77/872129977.db2.gz LADHVVHPLLYERI-QGZVFWFLSA-N 1 3 320.481 1.860 20 10 DDCDHO Cc1cccc(O)c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000876546680 705753015 /nfs/dbraw/zinc/75/30/15/705753015.db2.gz PWLNXJHXWPKDIX-UHFFFAOYSA-N 1 3 303.450 1.914 20 10 DDCDHO C[C@@H]1[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCN1C ZINC000922556538 714087882 /nfs/dbraw/zinc/08/78/82/714087882.db2.gz DOOVEEAJVGAXLE-CRAIPNDOSA-N 1 3 302.466 1.621 20 10 DDCDHO C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)ccc1[O-] ZINC000925859193 714952825 /nfs/dbraw/zinc/95/28/25/714952825.db2.gz WDUDUKKRLXSQTG-YPMHNXCESA-N 1 3 322.380 1.867 20 10 DDCDHO C[C@H](CC[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120630413 744357212 /nfs/dbraw/zinc/35/72/12/744357212.db2.gz AQRKESOEOZULLE-CJNGLKHVSA-N 1 3 321.469 1.392 20 10 DDCDHO COc1ccc(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001129949411 767067078 /nfs/dbraw/zinc/06/70/78/767067078.db2.gz CLZRPKBTMHNPON-KRWDZBQOSA-N 1 3 321.465 1.796 20 10 DDCDHO COC[C@H]1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139256206 860338342 /nfs/dbraw/zinc/33/83/42/860338342.db2.gz WYMNMBHKVUSYFA-ZDUSSCGKSA-N 1 3 308.422 1.931 20 10 DDCDHO CN1CCN(c2ccc(CNC3(C)CC[NH2+]CC3)cc2F)CC1 ZINC001325319682 867941001 /nfs/dbraw/zinc/94/10/01/867941001.db2.gz NMWCGXIWGVSQSN-UHFFFAOYSA-N 1 3 320.456 1.809 20 10 DDCDHO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205682742 871692859 /nfs/dbraw/zinc/69/28/59/871692859.db2.gz UEHVKNLSUNGEQB-GOSISDBHSA-N 1 3 321.465 1.914 20 10 DDCDHO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205682742 871692871 /nfs/dbraw/zinc/69/28/71/871692871.db2.gz UEHVKNLSUNGEQB-GOSISDBHSA-N 1 3 321.465 1.914 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)NC/C=C\C[NH3+])N(C)C)cc1 ZINC001346488707 873773941 /nfs/dbraw/zinc/77/39/41/873773941.db2.gz DANHPZSWQQSRGC-KJPDOMRESA-N 1 3 319.453 1.169 20 10 DDCDHO CCC[NH+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775636975 698017595 /nfs/dbraw/zinc/01/75/95/698017595.db2.gz JVKWSLPYUJDLID-UHFFFAOYSA-N 1 3 316.493 1.966 20 10 DDCDHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841031855 702316260 /nfs/dbraw/zinc/31/62/60/702316260.db2.gz ZJXHNKAUBZLJGF-GOEBONIOSA-N 1 3 307.413 1.879 20 10 DDCDHO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000841099587 702345794 /nfs/dbraw/zinc/34/57/94/702345794.db2.gz MMRUFLGADZIJKL-HNNXBMFYSA-N 1 3 301.394 1.588 20 10 DDCDHO Cc1ccc(O)c(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000841099587 702345801 /nfs/dbraw/zinc/34/58/01/702345801.db2.gz MMRUFLGADZIJKL-HNNXBMFYSA-N 1 3 301.394 1.588 20 10 DDCDHO C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000841101155 702346973 /nfs/dbraw/zinc/34/69/73/702346973.db2.gz PPQRAWSXZKLOKT-WBVHZDCISA-N 1 3 303.450 1.940 20 10 DDCDHO CCN1CCN(c2ccc(CN[C@H]3CCC[C@@H]3[NH3+])cc2F)CC1 ZINC000817902688 702514918 /nfs/dbraw/zinc/51/49/18/702514918.db2.gz XCLZUULZTNDWBT-IRXDYDNUSA-N 1 3 320.456 1.937 20 10 DDCDHO C[C@@H]1CC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)C[NH2+]1 ZINC000863484593 705938814 /nfs/dbraw/zinc/93/88/14/705938814.db2.gz JWGULEOVNNNWQH-WBVHZDCISA-N 1 3 302.466 1.669 20 10 DDCDHO CCN1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273003 706882490 /nfs/dbraw/zinc/88/24/90/706882490.db2.gz LDPCDPZPDOIRKF-DLBZAZTESA-N 1 3 318.465 1.743 20 10 DDCDHO Cc1c(C[C@@H](CN)C[NH2+]CCc2ccc(N)cc2)cnn1C ZINC000903918027 711331252 /nfs/dbraw/zinc/33/12/52/711331252.db2.gz QPAVIAXBUBLNKV-HNNXBMFYSA-N 1 3 301.438 1.260 20 10 DDCDHO Cc1cc(C[N@@H+]2CC[C@@H](n3cc(CN)nn3)C2)ccc1N(C)C ZINC000923411061 714347222 /nfs/dbraw/zinc/34/72/22/714347222.db2.gz MNYMFXFWBTVTGG-MRXNPFEDSA-N 1 3 314.437 1.558 20 10 DDCDHO Cc1cc(C[N@H+]2CC[C@@H](n3cc(CN)nn3)C2)ccc1N(C)C ZINC000923411061 714347224 /nfs/dbraw/zinc/34/72/24/714347224.db2.gz MNYMFXFWBTVTGG-MRXNPFEDSA-N 1 3 314.437 1.558 20 10 DDCDHO C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001275913580 853935836 /nfs/dbraw/zinc/93/58/36/853935836.db2.gz PVSPJDJKODLZHT-UHFFFAOYSA-N 1 3 321.440 1.991 20 10 DDCDHO CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341620790 871741527 /nfs/dbraw/zinc/74/15/27/871741527.db2.gz CTJAVEXFRWHKOA-SJORKVTESA-N 1 3 320.481 1.845 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C2([NH3+])CCCC2)N(C)C)cc1 ZINC001345647993 873464070 /nfs/dbraw/zinc/46/40/70/873464070.db2.gz TZVXHBDZMGWNMV-MRXNPFEDSA-N 1 3 318.465 1.743 20 10 DDCDHO CN(C)c1ccc(CN2CCN(CC[NH3+])CC2)c2ccccc21 ZINC001209975981 875183998 /nfs/dbraw/zinc/18/39/98/875183998.db2.gz ADDIDMRRTGHULS-UHFFFAOYSA-N 1 3 312.461 1.982 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)N(C)C)cc1 ZINC001355639366 878656655 /nfs/dbraw/zinc/65/66/55/878656655.db2.gz JBDGTMKIVWDXOL-JKSUJKDBSA-N 1 3 318.465 1.470 20 10 DDCDHO CN1CCN(c2ccc(CNC[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000841032218 702316361 /nfs/dbraw/zinc/31/63/61/702316361.db2.gz APDVIXKCLOEJON-KRWDZBQOSA-N 1 3 302.466 1.670 20 10 DDCDHO COc1cc(Br)cc(C[NH2+][C@@H](C)CC[NH3+])c1[O-] ZINC000841052410 702325854 /nfs/dbraw/zinc/32/58/54/702325854.db2.gz VKQJCXXBIPLYIK-QMMMGPOBSA-N 1 3 303.200 1.990 20 10 DDCDHO COc1ccc(N2CCN(CCN[C@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000817892764 702510390 /nfs/dbraw/zinc/51/03/90/702510390.db2.gz CEKVLQVTVZHGRP-HZPDHXFCSA-N 1 3 320.481 1.533 20 10 DDCDHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1O ZINC001275418377 853096104 /nfs/dbraw/zinc/09/61/04/853096104.db2.gz CDJMVYZSQQCKRS-GASCZTMLSA-N 1 3 305.422 1.308 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC001341512520 871688360 /nfs/dbraw/zinc/68/83/60/871688360.db2.gz FTDKTCOOXRLLFM-JKSUJKDBSA-N 1 3 304.438 1.224 20 10 DDCDHO CC(C)[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000843104779 702819763 /nfs/dbraw/zinc/81/97/63/702819763.db2.gz LZWBJLHYKOXSEZ-LJQANCHMSA-N 1 3 316.493 1.868 20 10 DDCDHO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C[NH3+] ZINC000923496110 714378112 /nfs/dbraw/zinc/37/81/12/714378112.db2.gz GRMPCIZRDCZEMW-ZBFHGGJFSA-N 1 3 318.465 1.286 20 10 DDCDHO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)CC1 ZINC000925776728 714933404 /nfs/dbraw/zinc/93/34/04/714933404.db2.gz IGLGICAPCRUUAA-DLBZAZTESA-N 1 3 316.449 1.358 20 10 DDCDHO COCCC[NH+]1CCC(NCCc2cc(O)c(O)cc2O)CC1 ZINC001172244267 776729726 /nfs/dbraw/zinc/72/97/26/776729726.db2.gz ADMBRPIDOPTXIA-UHFFFAOYSA-N 1 3 324.421 1.436 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H](O)C3)cc2)CC1 ZINC001140302208 860615028 /nfs/dbraw/zinc/61/50/28/860615028.db2.gz NCKQAYQTTHXOJX-MSOLQXFVSA-N 1 3 321.440 1.733 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@@H](O)C3)cc2)CC1 ZINC001140302208 860615031 /nfs/dbraw/zinc/61/50/31/860615031.db2.gz NCKQAYQTTHXOJX-MSOLQXFVSA-N 1 3 321.440 1.733 20 10 DDCDHO C[NH+]1CCN(c2ccc(CN3CCC(F)(F)[C@H](N)C3)cc2)CC1 ZINC001206668834 865172513 /nfs/dbraw/zinc/17/25/13/865172513.db2.gz VTIJWKJYMQBWAU-MRXNPFEDSA-N 1 3 324.419 1.607 20 10 DDCDHO COc1cc([O-])c(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c(OC)c1 ZINC001205229209 871446835 /nfs/dbraw/zinc/44/68/35/871446835.db2.gz MCRFPYUPRBFJJP-INIZCTEOSA-N 1 3 310.394 1.085 20 10 DDCDHO COc1cc([O-])c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(OC)c1 ZINC001205229209 871446839 /nfs/dbraw/zinc/44/68/39/871446839.db2.gz MCRFPYUPRBFJJP-INIZCTEOSA-N 1 3 310.394 1.085 20 10 DDCDHO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205240673 871454210 /nfs/dbraw/zinc/45/42/10/871454210.db2.gz MSHHFTVBFUWWQK-HNNXBMFYSA-N 1 3 314.813 1.730 20 10 DDCDHO COc1cc(Cl)cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205240673 871454219 /nfs/dbraw/zinc/45/42/19/871454219.db2.gz MSHHFTVBFUWWQK-HNNXBMFYSA-N 1 3 314.813 1.730 20 10 DDCDHO CN1CCN(c2ccc(CN3CC4(C3)CC[N@H+](C)C4)cc2)CC1 ZINC001276876262 880891032 /nfs/dbraw/zinc/89/10/32/880891032.db2.gz UYUIVNZRMVFIOE-UHFFFAOYSA-N 1 3 314.477 1.576 20 10 DDCDHO CN1CCN(c2ccc(CN3CC4(C3)CC[N@@H+](C)C4)cc2)CC1 ZINC001276876262 880891047 /nfs/dbraw/zinc/89/10/47/880891047.db2.gz UYUIVNZRMVFIOE-UHFFFAOYSA-N 1 3 314.477 1.576 20 10 DDCDHO COc1cc([O-])c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(OC)c1 ZINC001236319961 889183079 /nfs/dbraw/zinc/18/30/79/889183079.db2.gz ITPITWSKHZKATJ-BETUJISGSA-N 1 3 306.406 1.841 20 10 DDCDHO COc1cc([O-])c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(OC)c1 ZINC001236319961 889183089 /nfs/dbraw/zinc/18/30/89/889183089.db2.gz ITPITWSKHZKATJ-BETUJISGSA-N 1 3 306.406 1.841 20 10 DDCDHO Cc1cccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1O ZINC000841100134 702346319 /nfs/dbraw/zinc/34/63/19/702346319.db2.gz VODUPEMHVFZLJP-HNNXBMFYSA-N 1 3 301.394 1.588 20 10 DDCDHO Cc1cccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1O ZINC000841100134 702346326 /nfs/dbraw/zinc/34/63/26/702346326.db2.gz VODUPEMHVFZLJP-HNNXBMFYSA-N 1 3 301.394 1.588 20 10 DDCDHO CN1CCN(c2ccc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000843128890 702825391 /nfs/dbraw/zinc/82/53/91/702825391.db2.gz YNBRFEGXYMGXEV-PKOBYXMFSA-N 1 3 314.477 1.622 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)N(C)C)cc1 ZINC001343048144 872480803 /nfs/dbraw/zinc/48/08/03/872480803.db2.gz UCHYAQVNTJFQGM-DZKIICNBSA-N 1 3 304.438 1.209 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC001122328754 858757458 /nfs/dbraw/zinc/75/74/58/858757458.db2.gz VBBLJTNKWPUECF-IKGGRYGDSA-N 1 3 318.465 1.599 20 10 DDCDHO C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001335288926 868205764 /nfs/dbraw/zinc/20/57/64/868205764.db2.gz KHKZTHNZOABGAB-GDBMZVCRSA-N 1 3 320.456 1.604 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)CCCCC[NH3+])N(C)C)cc1 ZINC001343047370 872481753 /nfs/dbraw/zinc/48/17/53/872481753.db2.gz NCDWSZJZDACVPX-QGZVFWFLSA-N 1 3 320.481 1.991 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@@H]4CC[C@]4([NH3+])C3)cc2)CC1 ZINC001235997166 889051855 /nfs/dbraw/zinc/05/18/55/889051855.db2.gz VAIOJROSNTVAAE-HKUYNNGSSA-N 1 3 314.477 1.752 20 10 DDCDHO CCN(CC)c1ccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235996277 889053407 /nfs/dbraw/zinc/05/34/07/889053407.db2.gz YLYOWNGYVHHMAZ-MVVMVCHASA-N 1 3 319.449 1.644 20 10 DDCDHO COc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c(O)c(OC)c1 ZINC001237673949 889797394 /nfs/dbraw/zinc/79/73/94/889797394.db2.gz XLFPOSSLFAFSGX-OCCSQVGLSA-N 1 3 306.406 1.793 20 10 DDCDHO COc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(O)c(OC)c1 ZINC001237673949 889797397 /nfs/dbraw/zinc/79/73/97/889797397.db2.gz XLFPOSSLFAFSGX-OCCSQVGLSA-N 1 3 306.406 1.793 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])C2)N(C)C)cc1 ZINC001262601709 900270626 /nfs/dbraw/zinc/27/06/26/900270626.db2.gz KPWJETOIVGJUDO-HOCLYGCPSA-N 1 3 319.453 1.098 20 10 DDCDHO COc1cccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1O ZINC000289373232 409255712 /nfs/dbraw/zinc/25/57/12/409255712.db2.gz AZOJJTIHWFMQDS-UHFFFAOYSA-N 1 3 321.465 1.859 20 10 DDCDHO COc1cccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1O ZINC000289373232 409255714 /nfs/dbraw/zinc/25/57/14/409255714.db2.gz AZOJJTIHWFMQDS-UHFFFAOYSA-N 1 3 321.465 1.859 20 10 DDCDHO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000841059297 702329531 /nfs/dbraw/zinc/32/95/31/702329531.db2.gz PRMNLCJRZSAGCM-CRAIPNDOSA-N 1 3 302.466 1.526 20 10 DDCDHO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000841063868 702332631 /nfs/dbraw/zinc/33/26/31/702332631.db2.gz RKOQQKLGFUXLNR-YJBOKZPZSA-N 1 3 302.466 1.669 20 10 DDCDHO C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817936921 702529642 /nfs/dbraw/zinc/52/96/42/702529642.db2.gz SCCRBJVWVVNAEB-OCCSQVGLSA-N 1 3 307.413 1.965 20 10 DDCDHO CN1CCN(c2ccc(CN[C@]34CCC[C@@H]3[NH2+]CC4)cc2)CC1 ZINC000873229815 707778794 /nfs/dbraw/zinc/77/87/94/707778794.db2.gz GKYJJLMDUDFTKF-OALUTQOASA-N 1 3 314.477 1.813 20 10 DDCDHO C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1[O-] ZINC000925857426 714952256 /nfs/dbraw/zinc/95/22/56/714952256.db2.gz ZSZRQTMNPBFLOD-OLZOCXBDSA-N 1 3 304.390 1.728 20 10 DDCDHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343046661 872480966 /nfs/dbraw/zinc/48/09/66/872480966.db2.gz DQGUQBLZOSLIGH-HEHGZKQESA-N 1 3 306.454 1.455 20 10 DDCDHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343048612 872481034 /nfs/dbraw/zinc/48/10/34/872481034.db2.gz WDBULBPESOCPQL-XYPHTWIQSA-N 1 3 320.481 1.845 20 10 DDCDHO COCC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC[NH2+]CC1 ZINC000841067995 702334241 /nfs/dbraw/zinc/33/42/41/702334241.db2.gz INLOQUIAKIDUTJ-UHFFFAOYSA-N 1 3 308.378 1.227 20 10 DDCDHO CN1CCN(c2ccc(CN3CCC4(CC[NH2+]4)CC3)cc2)CC1 ZINC000817865904 702504838 /nfs/dbraw/zinc/50/48/38/702504838.db2.gz OMMCIVCEEFHGKC-UHFFFAOYSA-N 1 3 314.477 1.766 20 10 DDCDHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817942099 702531821 /nfs/dbraw/zinc/53/18/21/702531821.db2.gz MJPDHXAWRIGXAS-UNEWFSDZSA-N 1 3 306.454 1.109 20 10 DDCDHO CN(C)c1ccc([C@@H](CNc2ccncc2CO)[NH+](C)C)cc1 ZINC000897523213 708362349 /nfs/dbraw/zinc/36/23/49/708362349.db2.gz RWNWLRKXJUXHTP-GOSISDBHSA-N 1 3 314.433 1.777 20 10 DDCDHO CCN(CC)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254546 710143035 /nfs/dbraw/zinc/14/30/35/710143035.db2.gz ZJIIOMJNKBPMGG-KRWDZBQOSA-N 1 3 320.481 1.813 20 10 DDCDHO CCN(CC)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254547 710143388 /nfs/dbraw/zinc/14/33/88/710143388.db2.gz ZJIIOMJNKBPMGG-QGZVFWFLSA-N 1 3 320.481 1.813 20 10 DDCDHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666713 710916310 /nfs/dbraw/zinc/91/63/10/710916310.db2.gz LACVIEJWWLUIHR-DLBZAZTESA-N 1 3 318.465 1.741 20 10 DDCDHO CCOC(=O)CCN(C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258572 860338658 /nfs/dbraw/zinc/33/86/58/860338658.db2.gz SUKZAZLEXIUWAO-UHFFFAOYSA-N 1 3 324.421 1.847 20 10 DDCDHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001166865162 870330478 /nfs/dbraw/zinc/33/04/78/870330478.db2.gz BHFXHSTYIJIARY-INIZCTEOSA-N 1 3 321.465 1.940 20 10 DDCDHO C[NH+]1CCC(CN2CCN(Cc3ccc(O)c(O)c3)CC2)CC1 ZINC001203881637 870816635 /nfs/dbraw/zinc/81/66/35/870816635.db2.gz RTGAGIVCWTVBFA-UHFFFAOYSA-N 1 3 319.449 1.557 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)N(C)C)cc1 ZINC001341623898 871742278 /nfs/dbraw/zinc/74/22/78/871742278.db2.gz UCHYAQVNTJFQGM-LZWOXQAQSA-N 1 3 304.438 1.209 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC001342293248 872130667 /nfs/dbraw/zinc/13/06/67/872130667.db2.gz PQVDYTKDFORIRV-NVXWUHKLSA-N 1 3 318.465 1.614 20 10 DDCDHO CC[C@H]([NH2+]C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343046769 872481365 /nfs/dbraw/zinc/48/13/65/872481365.db2.gz GHRVVEHJIHSQFQ-HOTGVXAUSA-N 1 3 306.454 1.470 20 10 DDCDHO CN(C)c1ccc(CN2CCNC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222095086 880245818 /nfs/dbraw/zinc/24/58/18/880245818.db2.gz OHIMDOMSHKDPCW-UHFFFAOYSA-N 1 3 322.884 1.933 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)CC1 ZINC001235995901 889052534 /nfs/dbraw/zinc/05/25/34/889052534.db2.gz ROLSDVIQPMOADD-FUHWJXTLSA-N 1 3 300.450 1.362 20 10 DDCDHO COc1ccc(O)c([C@@H](C)NCC(=O)NC2CC[NH+](C)CC2)c1 ZINC000878360801 706369139 /nfs/dbraw/zinc/36/91/39/706369139.db2.gz SBRSBCRBVMYBIF-GFCCVEGCSA-N 1 3 321.421 1.262 20 10 DDCDHO COc1cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139257557 860338767 /nfs/dbraw/zinc/33/87/67/860338767.db2.gz FDXQCRKRPFLGKK-OKILXGFUSA-N 1 3 321.465 1.987 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[NH2+]C(C)(C)C)N(C)C)cc1 ZINC001333580502 866858751 /nfs/dbraw/zinc/85/87/51/866858751.db2.gz FQVYSDDGPJSDKZ-MRXNPFEDSA-N 1 3 320.481 1.860 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)CC2CC([NH3+])C2)N(C)C)cc1 ZINC001341620698 871741243 /nfs/dbraw/zinc/74/12/43/871741243.db2.gz BRTVBRAGXGTQEH-PUJMQQBBSA-N 1 3 318.465 1.599 20 10 DDCDHO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)C1 ZINC000817889571 702509877 /nfs/dbraw/zinc/50/98/77/702509877.db2.gz PMOJIIXFBMDIOD-OIISXLGYSA-N 1 3 316.449 1.358 20 10 DDCDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc2c(c1)CCCN2C ZINC000817898862 702512358 /nfs/dbraw/zinc/51/23/58/702512358.db2.gz BUBOSGSFGMHZHL-IAOVAPTHSA-N 1 3 303.450 1.911 20 10 DDCDHO CN(C)c1ccc([C@H]([NH3+])CN[C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000817944329 702532718 /nfs/dbraw/zinc/53/27/18/702532718.db2.gz ZHLRYJRWQLEZGY-FGTMMUONSA-N 1 3 318.465 1.109 20 10 DDCDHO CN(C)C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)c2ccccc2O1 ZINC000852872449 704156518 /nfs/dbraw/zinc/15/65/18/704156518.db2.gz MUGAVKQRLSMWPB-OAHLLOKOSA-N 1 3 315.417 1.652 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@H]([NH3+])C(C)(C)C3)cc2)CC1 ZINC000903987191 711359822 /nfs/dbraw/zinc/35/98/22/711359822.db2.gz YEPVGOOCQHPXRN-KRWDZBQOSA-N 1 3 302.466 1.608 20 10 DDCDHO CC(C)[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000906641504 712377005 /nfs/dbraw/zinc/37/70/05/712377005.db2.gz WQYYQVOLHKQUEB-CVEARBPZSA-N 1 3 306.454 1.455 20 10 DDCDHO COc1cccc(CN2CC3(C2)CC[N@H+](CCN(C)C)C3)c1O ZINC001275270115 852943510 /nfs/dbraw/zinc/94/35/10/852943510.db2.gz FGFWJJXGYFJPIY-UHFFFAOYSA-N 1 3 319.449 1.470 20 10 DDCDHO COc1cccc(CN2CC3(C2)CC[N@@H+](CCN(C)C)C3)c1O ZINC001275270115 852943511 /nfs/dbraw/zinc/94/35/11/852943511.db2.gz FGFWJJXGYFJPIY-UHFFFAOYSA-N 1 3 319.449 1.470 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140302340 860614740 /nfs/dbraw/zinc/61/47/40/860614740.db2.gz OJQSLTBDDMBCLL-YJBOKZPZSA-N 1 3 303.450 1.641 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140302340 860614745 /nfs/dbraw/zinc/61/47/45/860614745.db2.gz OJQSLTBDDMBCLL-YJBOKZPZSA-N 1 3 303.450 1.641 20 10 DDCDHO C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2F)C[C@H]1C[NH3+] ZINC001205150536 871396774 /nfs/dbraw/zinc/39/67/74/871396774.db2.gz DWWIUQXOTXDREY-GOEBONIOSA-N 1 3 320.456 1.604 20 10 DDCDHO CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341620788 871741801 /nfs/dbraw/zinc/74/18/01/871741801.db2.gz CTJAVEXFRWHKOA-IAGOWNOFSA-N 1 3 320.481 1.845 20 10 DDCDHO CC(C)[NH2+]CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341621201 871741853 /nfs/dbraw/zinc/74/18/53/871741853.db2.gz FHDFHFULQYZRLP-MRXNPFEDSA-N 1 3 306.454 1.470 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)N(C)C)cc1 ZINC001343166748 872523589 /nfs/dbraw/zinc/52/35/89/872523589.db2.gz WBTLXINEEUAZFR-NVXWUHKLSA-N 1 3 322.428 1.173 20 10 DDCDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001349326102 875113469 /nfs/dbraw/zinc/11/34/69/875113469.db2.gz SZUSDBCJNGYVMH-KGLIPLIRSA-N 1 3 308.445 1.793 20 10 DDCDHO C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000706677299 699244220 /nfs/dbraw/zinc/24/42/20/699244220.db2.gz ANWSLSHLNAPQAN-UHFFFAOYSA-N 1 3 302.802 1.722 20 10 DDCDHO C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000706677299 699244221 /nfs/dbraw/zinc/24/42/21/699244221.db2.gz ANWSLSHLNAPQAN-UHFFFAOYSA-N 1 3 302.802 1.722 20 10 DDCDHO C[C@@H]1[NH2+]CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1C ZINC000843058810 702810011 /nfs/dbraw/zinc/81/00/11/702810011.db2.gz YQZAXHHMLYFDSN-HOTGVXAUSA-N 1 3 302.466 1.621 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC001140302706 860614765 /nfs/dbraw/zinc/61/47/65/860614765.db2.gz YKNIAHYBEGAXSA-GOSISDBHSA-N 1 3 303.450 1.785 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC001140302706 860614767 /nfs/dbraw/zinc/61/47/67/860614767.db2.gz YKNIAHYBEGAXSA-GOSISDBHSA-N 1 3 303.450 1.785 20 10 DDCDHO CN1CCN(c2ccc(C[NH2+]C[C@@H]3C[C@H](F)CN3)cc2F)CC1 ZINC001348516514 874607519 /nfs/dbraw/zinc/60/75/19/874607519.db2.gz TYEBABSTFDZYNO-GJZGRUSLSA-N 1 3 324.419 1.367 20 10 DDCDHO CCOc1ccc(C[NH2+]CC2(COC)CC[NH2+]CC2)c([O-])c1 ZINC000841068565 702334851 /nfs/dbraw/zinc/33/48/51/702334851.db2.gz QXHVIKGLKZEVIA-UHFFFAOYSA-N 1 3 308.422 1.897 20 10 DDCDHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895844 702511647 /nfs/dbraw/zinc/51/16/47/702511647.db2.gz WXEQIIYPFMDFTE-ZWKOTPCHSA-N 1 3 303.450 1.865 20 10 DDCDHO C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1[O-] ZINC000817972675 702539793 /nfs/dbraw/zinc/53/97/93/702539793.db2.gz NMTDQOLYHAONAJ-SMDDNHRTSA-N 1 3 317.355 1.879 20 10 DDCDHO COc1cc(CN2CCC[C@H](O)CC2)cc(C[NH+](C)C)c1O ZINC001139253023 860336368 /nfs/dbraw/zinc/33/63/68/860336368.db2.gz IZFQYMCDKSLOIH-HNNXBMFYSA-N 1 3 308.422 1.809 20 10 DDCDHO Cc1cc(C)c(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)c(O)c1 ZINC001220825409 879289735 /nfs/dbraw/zinc/28/97/35/879289735.db2.gz GMKZCSDHJQPMIN-OAHLLOKOSA-N 1 3 317.433 1.499 20 10 DDCDHO Cc1cc(C)c(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)c(O)c1 ZINC001220825409 879289752 /nfs/dbraw/zinc/28/97/52/879289752.db2.gz GMKZCSDHJQPMIN-OAHLLOKOSA-N 1 3 317.433 1.499 20 10 DDCDHO CN1CCN(c2ccc(CN3CC[C@H]4C[C@@]4([NH3+])C3)cc2)CC1 ZINC001235159317 888446431 /nfs/dbraw/zinc/44/64/31/888446431.db2.gz IGNMSTPUEOEHCV-FUHWJXTLSA-N 1 3 300.450 1.362 20 10 DDCDHO C[NH+]1CCC(C[NH2+]Cc2ccccc2[O-])(N2CCOCC2)CC1 ZINC000840954758 702292764 /nfs/dbraw/zinc/29/27/64/702292764.db2.gz JQOWGZFYJRMIHL-UHFFFAOYSA-N 1 3 319.449 1.278 20 10 DDCDHO COc1ccc(O)c(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000843121937 702823624 /nfs/dbraw/zinc/82/36/24/702823624.db2.gz LVINCMFTMYAHOM-AWEZNQCLSA-N 1 3 321.421 1.220 20 10 DDCDHO CCN(C)C[C@@H](O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000847007304 703364883 /nfs/dbraw/zinc/36/48/83/703364883.db2.gz DKXLGRGNDCKVMF-MRXNPFEDSA-N 1 3 309.454 1.376 20 10 DDCDHO CCN(C)C[C@@H](O)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000847007304 703364885 /nfs/dbraw/zinc/36/48/85/703364885.db2.gz DKXLGRGNDCKVMF-MRXNPFEDSA-N 1 3 309.454 1.376 20 10 DDCDHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834508598 707075491 /nfs/dbraw/zinc/07/54/91/707075491.db2.gz ODWALXLSQLLLLO-GDBMZVCRSA-N 1 3 303.450 1.995 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000891247093 710140431 /nfs/dbraw/zinc/14/04/31/710140431.db2.gz HGLHPZBYVPFDJR-RDJZCZTQSA-N 1 3 318.465 1.423 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000891247093 710140432 /nfs/dbraw/zinc/14/04/32/710140432.db2.gz HGLHPZBYVPFDJR-RDJZCZTQSA-N 1 3 318.465 1.423 20 10 DDCDHO CC[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)N(C)C ZINC000891248147 710141367 /nfs/dbraw/zinc/14/13/67/710141367.db2.gz WAHHKGBKKSDEHB-IAGOWNOFSA-N 1 3 320.481 1.812 20 10 DDCDHO COc1cc(CN2C[C@H](C)N(C)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139255873 860338463 /nfs/dbraw/zinc/33/84/63/860338463.db2.gz SINOTVVIVFNRBV-UONOGXRCSA-N 1 3 321.465 1.987 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](CO)C3)cc2)CC1 ZINC001140304770 860615983 /nfs/dbraw/zinc/61/59/83/860615983.db2.gz AYZBIAWEYSLLFM-QGZVFWFLSA-N 1 3 303.450 1.643 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)C3)cc2)CC1 ZINC001140304770 860615988 /nfs/dbraw/zinc/61/59/88/860615988.db2.gz AYZBIAWEYSLLFM-QGZVFWFLSA-N 1 3 303.450 1.643 20 10 DDCDHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000321883471 698731007 /nfs/dbraw/zinc/73/10/07/698731007.db2.gz KBSOIPVTDRFAQE-GOEBONIOSA-N 1 3 317.433 1.472 20 10 DDCDHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000321883471 698731010 /nfs/dbraw/zinc/73/10/10/698731010.db2.gz KBSOIPVTDRFAQE-GOEBONIOSA-N 1 3 317.433 1.472 20 10 DDCDHO CN1CCN(c2ccc(CNC3CC[NH2+]CC3)cc2F)CC1 ZINC001117953929 780961988 /nfs/dbraw/zinc/96/19/88/780961988.db2.gz UITRSCDRANBQIM-UHFFFAOYSA-N 1 3 306.429 1.419 20 10 DDCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H](N)CCC[NH3+] ZINC001157432868 863817595 /nfs/dbraw/zinc/81/75/95/863817595.db2.gz HYVMMWPWUCPDFA-CZUORRHYSA-N 1 3 319.449 1.815 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC001341512519 871688950 /nfs/dbraw/zinc/68/89/50/871688950.db2.gz FTDKTCOOXRLLFM-HOTGVXAUSA-N 1 3 304.438 1.224 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C2CC[NH2+]CC2)N(C)C)cc1 ZINC001342293276 872130565 /nfs/dbraw/zinc/13/05/65/872130565.db2.gz PTYIEIGUOGPZFU-KRWDZBQOSA-N 1 3 318.465 1.471 20 10 DDCDHO CN1CCN(c2ccc(CN[C@@H]3CCC[NH2+]CC3)cc2F)CC1 ZINC001348514750 874605894 /nfs/dbraw/zinc/60/58/94/874605894.db2.gz GSDMAWYNGSBGFM-MRXNPFEDSA-N 1 3 320.456 1.809 20 10 DDCDHO CN1CCN(c2ccc(CN3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000775675050 698021663 /nfs/dbraw/zinc/02/16/63/698021663.db2.gz QOLFNOXNHHTOEC-IBGZPJMESA-N 1 3 316.493 1.964 20 10 DDCDHO CCCN(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251905 710142457 /nfs/dbraw/zinc/14/24/57/710142457.db2.gz HYQRANAWNJOGOC-QGZVFWFLSA-N 1 3 320.481 1.813 20 10 DDCDHO C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccccc4[O-])CC3)[C@H]2C1 ZINC001275267595 852940858 /nfs/dbraw/zinc/94/08/58/852940858.db2.gz SKIMTKLPDNBRPS-GJZGRUSLSA-N 1 3 315.417 1.034 20 10 DDCDHO C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccccc4[O-])CC3)[C@H]2C1 ZINC001275267595 852940861 /nfs/dbraw/zinc/94/08/61/852940861.db2.gz SKIMTKLPDNBRPS-GJZGRUSLSA-N 1 3 315.417 1.034 20 10 DDCDHO CC(C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122328822 858756836 /nfs/dbraw/zinc/75/68/36/858756836.db2.gz WQYYQVOLHKQUEB-HZPDHXFCSA-N 1 3 306.454 1.455 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)CC2([NH3+])CC2)N(C)C)cc1 ZINC001122328934 858757405 /nfs/dbraw/zinc/75/74/05/858757405.db2.gz ZPXPDXNZOKPKHG-OAHLLOKOSA-N 1 3 304.438 1.353 20 10 DDCDHO CC(C)[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC[NH2+]1 ZINC001235470994 888667597 /nfs/dbraw/zinc/66/75/97/888667597.db2.gz LZWBJLHYKOXSEZ-IBGZPJMESA-N 1 3 316.493 1.868 20 10 DDCDHO Cc1cc([O-])c(CN(CC[NH3+])CC[NH3+])cc1Br ZINC001235881049 888997750 /nfs/dbraw/zinc/99/77/50/888997750.db2.gz UCJDIDNHCIPWNP-UHFFFAOYSA-N 1 3 302.216 1.183 20 10 DDCDHO COc1cc(CN2CC3(C2)CC[NH+](C)CC3)c(O)c(OC)c1 ZINC001237681736 889802756 /nfs/dbraw/zinc/80/27/56/889802756.db2.gz RSSCAGMABQIEQW-UHFFFAOYSA-N 1 3 306.406 1.937 20 10 DDCDHO COc1cc(Br)cc(C[NH2+]C[C@@H](C)C[NH3+])c1[O-] ZINC000841050136 702325064 /nfs/dbraw/zinc/32/50/64/702325064.db2.gz YHNNDIXYLPVVIO-QMMMGPOBSA-N 1 3 303.200 1.848 20 10 DDCDHO CN1CCN(c2ccc(CN3CC[NH2+]CC3(C)C)cc2)CC1 ZINC000843054267 702809069 /nfs/dbraw/zinc/80/90/69/702809069.db2.gz IFSBGCRVJKGMOJ-UHFFFAOYSA-N 1 3 302.466 1.622 20 10 DDCDHO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001133433874 769833114 /nfs/dbraw/zinc/83/31/14/769833114.db2.gz CLZRPKBTMHNPON-QGZVFWFLSA-N 1 3 321.465 1.796 20 10 DDCDHO C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccccc4[O-])CC3)[C@@H]2C1 ZINC001275267596 852940558 /nfs/dbraw/zinc/94/05/58/852940558.db2.gz SKIMTKLPDNBRPS-HUUCEWRRSA-N 1 3 315.417 1.034 20 10 DDCDHO C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccccc4[O-])CC3)[C@@H]2C1 ZINC001275267596 852940561 /nfs/dbraw/zinc/94/05/61/852940561.db2.gz SKIMTKLPDNBRPS-HUUCEWRRSA-N 1 3 315.417 1.034 20 10 DDCDHO C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001275267532 852941050 /nfs/dbraw/zinc/94/10/50/852941050.db2.gz QLOZHPPGNNKWJZ-UHFFFAOYSA-N 1 3 303.450 1.852 20 10 DDCDHO C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267532 852941055 /nfs/dbraw/zinc/94/10/55/852941055.db2.gz QLOZHPPGNNKWJZ-UHFFFAOYSA-N 1 3 303.450 1.852 20 10 DDCDHO [NH3+][C@H](CC(=O)NC1CC2(C1)CC[NH2+]CC2)c1ccccc1[O-] ZINC001219777886 878502538 /nfs/dbraw/zinc/50/25/38/878502538.db2.gz SUSOFVIPCDGHLI-CQSZACIVSA-N 1 3 303.406 1.431 20 10 DDCDHO CN1CCN(c2ccc(CN[C@H]3CCCC[NH2+]C3)cc2)CC1 ZINC000841091338 702342139 /nfs/dbraw/zinc/34/21/39/702342139.db2.gz VQOSNOMWVMIDLU-KRWDZBQOSA-N 1 3 302.466 1.670 20 10 DDCDHO COc1cc([O-])c(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c(OC)c1 ZINC001205229210 751011933 /nfs/dbraw/zinc/01/19/33/751011933.db2.gz MCRFPYUPRBFJJP-MRXNPFEDSA-N 1 3 310.394 1.085 20 10 DDCDHO COc1cc([O-])c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(OC)c1 ZINC001205229210 751011940 /nfs/dbraw/zinc/01/19/40/751011940.db2.gz MCRFPYUPRBFJJP-MRXNPFEDSA-N 1 3 310.394 1.085 20 10 DDCDHO COc1ccc(C[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)cc1C ZINC001129442699 766894867 /nfs/dbraw/zinc/89/48/67/766894867.db2.gz DFEXKZFUJKZJKI-KRWDZBQOSA-N 1 3 319.449 1.550 20 10 DDCDHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205673365 871686753 /nfs/dbraw/zinc/68/67/53/871686753.db2.gz PWBPYFFNLYJUSW-GOSISDBHSA-N 1 3 319.449 1.199 20 10 DDCDHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205673365 871686758 /nfs/dbraw/zinc/68/67/58/871686758.db2.gz PWBPYFFNLYJUSW-GOSISDBHSA-N 1 3 319.449 1.199 20 10 DDCDHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205673365 871686764 /nfs/dbraw/zinc/68/67/64/871686764.db2.gz PWBPYFFNLYJUSW-GOSISDBHSA-N 1 3 319.449 1.199 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)CC2([NH3+])CCC2)N(C)C)cc1 ZINC001341622539 871742150 /nfs/dbraw/zinc/74/21/50/871742150.db2.gz MCIYWCVAFUBBGK-INIZCTEOSA-N 1 3 318.465 1.743 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)N(C)C)cc1 ZINC001355639365 878656780 /nfs/dbraw/zinc/65/67/80/878656780.db2.gz JBDGTMKIVWDXOL-HZPDHXFCSA-N 1 3 318.465 1.470 20 10 DDCDHO CC[C@H]([NH3+])CN(C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001236869959 889388198 /nfs/dbraw/zinc/38/81/98/889388198.db2.gz ZYRRYFOPMFSAOB-KRWDZBQOSA-N 1 3 304.482 1.998 20 10 DDCDHO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000840975062 702298801 /nfs/dbraw/zinc/29/88/01/702298801.db2.gz UFIPJBIWCDVPNU-QGZVFWFLSA-N 1 3 302.466 1.622 20 10 DDCDHO CN1CCN(c2ccc(CN[C@@H]3CCCC[NH2+]C3)cc2)CC1 ZINC000841091339 702342381 /nfs/dbraw/zinc/34/23/81/702342381.db2.gz VQOSNOMWVMIDLU-QGZVFWFLSA-N 1 3 302.466 1.670 20 10 DDCDHO C[NH2+]C[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843056228 702809614 /nfs/dbraw/zinc/80/96/14/702809614.db2.gz WVHJBTFWJIOHHQ-GOSISDBHSA-N 1 3 302.466 1.622 20 10 DDCDHO C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000843119942 702823239 /nfs/dbraw/zinc/82/32/39/702823239.db2.gz PPRJFQBSYHSCMK-CVEARBPZSA-N 1 3 302.466 1.621 20 10 DDCDHO C[C@H]1CC[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)C[NH2+]1 ZINC000863484585 705938911 /nfs/dbraw/zinc/93/89/11/705938911.db2.gz JWGULEOVNNNWQH-DOTOQJQBSA-N 1 3 302.466 1.669 20 10 DDCDHO Cc1cc(Br)cc(C[NH2+]CCOCCC[NH3+])c1[O-] ZINC000863486337 705939299 /nfs/dbraw/zinc/93/92/99/705939299.db2.gz GICRPDWIZQYHTL-UHFFFAOYSA-N 1 3 317.227 1.918 20 10 DDCDHO C[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001346489561 873774658 /nfs/dbraw/zinc/77/46/58/873774658.db2.gz HIWLEGCDFQZSDW-SWLSCSKDSA-N 1 3 307.442 1.002 20 10 DDCDHO CN1CCN(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1(C)C ZINC000282214375 409012330 /nfs/dbraw/zinc/01/23/30/409012330.db2.gz DNKPYARVQPHIJB-UHFFFAOYSA-N 1 3 303.450 1.737 20 10 DDCDHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895841 702512054 /nfs/dbraw/zinc/51/20/54/702512054.db2.gz WXEQIIYPFMDFTE-MSOLQXFVSA-N 1 3 303.450 1.865 20 10 DDCDHO CN(C)c1ccc(/C=C/CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843123616 702824141 /nfs/dbraw/zinc/82/41/41/702824141.db2.gz SXMBOCNPKHIIET-GNAXCBTBSA-N 1 3 314.477 1.745 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC2CC2)N(C)C)cc1 ZINC001122413976 858798869 /nfs/dbraw/zinc/79/88/69/858798869.db2.gz HVRZCABNMKVXRU-IRXDYDNUSA-N 1 3 318.465 1.599 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+](C)CCC(=O)OC)cc2)CC1 ZINC001140309788 860616189 /nfs/dbraw/zinc/61/61/89/860616189.db2.gz UQOBXYBNSSSPHK-UHFFFAOYSA-N 1 3 319.449 1.823 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+](C)CCC(=O)OC)cc2)CC1 ZINC001140309788 860616195 /nfs/dbraw/zinc/61/61/95/860616195.db2.gz UQOBXYBNSSSPHK-UHFFFAOYSA-N 1 3 319.449 1.823 20 10 DDCDHO [NH3+][C@H](CC(=O)N1CCC2(CCC[NH2+]2)CC1)c1ccccc1[O-] ZINC001158168573 864467080 /nfs/dbraw/zinc/46/70/80/864467080.db2.gz IJMUHFBIVYZUDJ-CQSZACIVSA-N 1 3 303.406 1.527 20 10 DDCDHO CC(C)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343164957 872522425 /nfs/dbraw/zinc/52/24/25/872522425.db2.gz CTJAVEXFRWHKOA-DLBZAZTESA-N 1 3 320.481 1.845 20 10 DDCDHO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000841059301 702329582 /nfs/dbraw/zinc/32/95/82/702329582.db2.gz PRMNLCJRZSAGCM-QAPCUYQASA-N 1 3 302.466 1.526 20 10 DDCDHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902516122 710778414 /nfs/dbraw/zinc/77/84/14/710778414.db2.gz BPJHFYGBDXBMIQ-JLSDUUJJSA-N 1 3 304.482 1.943 20 10 DDCDHO O=C1O[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CC12CC[NH2+]CC2 ZINC000925850606 714950876 /nfs/dbraw/zinc/95/08/76/714950876.db2.gz VHXAPMWKCJKVAK-UONOGXRCSA-N 1 3 316.401 1.654 20 10 DDCDHO C[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001346489560 873774731 /nfs/dbraw/zinc/77/47/31/873774731.db2.gz HIWLEGCDFQZSDW-IUODEOHRSA-N 1 3 307.442 1.002 20 10 DDCDHO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001353427776 877322956 /nfs/dbraw/zinc/32/29/56/877322956.db2.gz CBFZSJJIYLFECK-HEHGZKQESA-N 1 3 321.469 1.390 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C[C@H]([NH3+])C2CC2)N(C)C)cc1 ZINC001355639335 878657432 /nfs/dbraw/zinc/65/74/32/878657432.db2.gz IOLWVZLWQPRSJW-IRXDYDNUSA-N 1 3 318.465 1.599 20 10 DDCDHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894492 702511734 /nfs/dbraw/zinc/51/17/34/702511734.db2.gz LKLUHXFKLATZAF-HZPDHXFCSA-N 1 3 307.413 1.756 20 10 DDCDHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[NH3+])cc2F)CC1 ZINC000817902686 702514622 /nfs/dbraw/zinc/51/46/22/702514622.db2.gz XCLZUULZTNDWBT-DLBZAZTESA-N 1 3 320.456 1.937 20 10 DDCDHO COc1ccc(C[NH2+]CCN(C)C(=O)CN(C)C(C)C)cc1C ZINC001267117722 837383323 /nfs/dbraw/zinc/38/33/23/837383323.db2.gz VSBLIYJMSPCJDE-UHFFFAOYSA-N 1 3 321.465 1.892 20 10 DDCDHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1O ZINC001275419420 853094109 /nfs/dbraw/zinc/09/41/09/853094109.db2.gz YDSYUCXBYYOCMF-MQVJKMGUSA-N 1 3 319.449 1.744 20 10 DDCDHO [NH3+][C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001205110702 871370957 /nfs/dbraw/zinc/37/09/57/871370957.db2.gz YMDOLYJZQJHOKA-MRXNPFEDSA-N 1 3 303.450 1.961 20 10 DDCDHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)c1ccc2c(c1)CNC2 ZINC001219119595 877938100 /nfs/dbraw/zinc/93/81/00/877938100.db2.gz DWLAXZDOZZBPPU-UHFFFAOYSA-N 1 3 322.412 1.952 20 10 DDCDHO O=C(CNCc1ccccc1O)NCC[NH+]1CCCCCC1 ZINC000816620973 702128847 /nfs/dbraw/zinc/12/88/47/702128847.db2.gz UFAWTASTUOSXQI-UHFFFAOYSA-N 1 3 305.422 1.474 20 10 DDCDHO Cn1cncc1CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000857782978 704625159 /nfs/dbraw/zinc/62/51/59/704625159.db2.gz NAFQBOPAIYHWKA-UHFFFAOYSA-N 1 3 313.449 1.504 20 10 DDCDHO Cc1c(C[C@H](CN)C[NH2+]CCc2ccc(N)cc2)cnn1C ZINC000903918028 711331286 /nfs/dbraw/zinc/33/12/86/711331286.db2.gz QPAVIAXBUBLNKV-OAHLLOKOSA-N 1 3 301.438 1.260 20 10 DDCDHO C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C[NH3+] ZINC000923496109 714378344 /nfs/dbraw/zinc/37/83/44/714378344.db2.gz GRMPCIZRDCZEMW-HOCLYGCPSA-N 1 3 318.465 1.286 20 10 DDCDHO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)CC1 ZINC000925776734 714933670 /nfs/dbraw/zinc/93/36/70/714933670.db2.gz IGLGICAPCRUUAA-SJORKVTESA-N 1 3 316.449 1.358 20 10 DDCDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[NH2+]1 ZINC001117953663 780960821 /nfs/dbraw/zinc/96/08/21/780960821.db2.gz KVLZFDVEZKIOOU-ZBFHGGJFSA-N 1 3 320.456 1.808 20 10 DDCDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H](N)CCC[NH3+] ZINC001157432866 863817427 /nfs/dbraw/zinc/81/74/27/863817427.db2.gz HYVMMWPWUCPDFA-CJNGLKHVSA-N 1 3 319.449 1.815 20 10 DDCDHO CCN(CC[NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335723438 868497105 /nfs/dbraw/zinc/49/71/05/868497105.db2.gz QQSMKXBWRALJII-INIZCTEOSA-N 1 3 321.469 1.346 20 10 DDCDHO C[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1N ZINC001206058577 872022805 /nfs/dbraw/zinc/02/28/05/872022805.db2.gz HDBIQVKTWWRALG-MLGOLLRUSA-N 1 3 301.434 1.870 20 10 DDCDHO C[C@@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1N ZINC001206058577 872022822 /nfs/dbraw/zinc/02/28/22/872022822.db2.gz HDBIQVKTWWRALG-MLGOLLRUSA-N 1 3 301.434 1.870 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C2([NH3+])CCC2)N(C)C)cc1 ZINC001343048593 872481767 /nfs/dbraw/zinc/48/17/67/872481767.db2.gz WADNBCWBYDAKCB-OAHLLOKOSA-N 1 3 304.438 1.353 20 10 DDCDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001349326100 875113212 /nfs/dbraw/zinc/11/32/12/875113212.db2.gz SZUSDBCJNGYVMH-KBPBESRZSA-N 1 3 308.445 1.793 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C[NH3+])N(C)C)cc1 ZINC001120675683 782088224 /nfs/dbraw/zinc/08/82/24/782088224.db2.gz XVNVVGBNSJYWRP-HNNXBMFYSA-N 1 3 321.469 1.392 20 10 DDCDHO C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817936925 702529595 /nfs/dbraw/zinc/52/95/95/702529595.db2.gz SCCRBJVWVVNAEB-TZMCWYRMSA-N 1 3 307.413 1.965 20 10 DDCDHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902516124 710779041 /nfs/dbraw/zinc/77/90/41/710779041.db2.gz BPJHFYGBDXBMIQ-ZTFGCOKTSA-N 1 3 304.482 1.943 20 10 DDCDHO COc1cc(CN2[C@@H](C)CC[C@H]2CO)cc(C[NH+](C)C)c1O ZINC001139254350 860337231 /nfs/dbraw/zinc/33/72/31/860337231.db2.gz HVWKMXCEVZWQAU-WFASDCNBSA-N 1 3 308.422 1.808 20 10 DDCDHO CN1CCN(c2ccc(CN3CC[C@@H](C[NH3+])C3)cc2F)CC1 ZINC001326202038 861187404 /nfs/dbraw/zinc/18/74/04/861187404.db2.gz ZLSXINGMTMOAQD-HNNXBMFYSA-N 1 3 306.429 1.358 20 10 DDCDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCc2cccc(O)c2C1 ZINC001160872994 866160907 /nfs/dbraw/zinc/16/09/07/866160907.db2.gz SYRJHJMALMXXDL-INIZCTEOSA-N 1 3 319.449 1.773 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001346526822 873790512 /nfs/dbraw/zinc/79/05/12/873790512.db2.gz QNGVRPZKXUXIPP-GDBMZVCRSA-N 1 3 319.453 1.016 20 10 DDCDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001349326106 875113647 /nfs/dbraw/zinc/11/36/47/875113647.db2.gz SZUSDBCJNGYVMH-ZIAGYGMSSA-N 1 3 308.445 1.793 20 10 DDCDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001349326104 875113695 /nfs/dbraw/zinc/11/36/95/875113695.db2.gz SZUSDBCJNGYVMH-UONOGXRCSA-N 1 3 308.445 1.793 20 10 DDCDHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001256559152 897476871 /nfs/dbraw/zinc/47/68/71/897476871.db2.gz YLRURJXOALLZDC-MRXNPFEDSA-N 1 3 308.422 1.984 20 10 DDCDHO COc1cc(Cl)cc(CN(C)CCN2CC[NH2+]CC2)c1O ZINC000229103439 697777102 /nfs/dbraw/zinc/77/71/02/697777102.db2.gz OBSGVVBTOORMMC-UHFFFAOYSA-N 1 3 313.829 1.391 20 10 DDCDHO CN(C)c1ccc(/C=C\CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000843051674 702808876 /nfs/dbraw/zinc/80/88/76/702808876.db2.gz BQUNXQPSWSXZIC-PLNGDYQASA-N 1 3 302.466 1.603 20 10 DDCDHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000922388375 714037242 /nfs/dbraw/zinc/03/72/42/714037242.db2.gz PIVPDPDAKUQGMA-BGTYHANMSA-N 1 3 304.434 1.962 20 10 DDCDHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000922388375 714037246 /nfs/dbraw/zinc/03/72/46/714037246.db2.gz PIVPDPDAKUQGMA-BGTYHANMSA-N 1 3 304.434 1.962 20 10 DDCDHO COc1cc(Br)cc(C[NH2+]CCCC[NH3+])c1[O-] ZINC001328682040 863145993 /nfs/dbraw/zinc/14/59/93/863145993.db2.gz RIPIDYDECQRLHE-UHFFFAOYSA-N 1 3 303.200 1.992 20 10 DDCDHO COc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(O)c1OC ZINC001335433296 868290877 /nfs/dbraw/zinc/29/08/77/868290877.db2.gz PBPSZKQZJXOYLA-LBPRGKRZSA-N 1 3 306.406 1.983 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)NCC2([NH3+])CC2)N(C)C)cc1 ZINC001337024037 869271455 /nfs/dbraw/zinc/27/14/55/869271455.db2.gz JQSKGGFVLLLJIT-OAHLLOKOSA-N 1 3 319.453 1.146 20 10 DDCDHO COC(=O)Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c([O-])c1 ZINC001249201576 893863462 /nfs/dbraw/zinc/86/34/62/893863462.db2.gz YXBLUQPINOVHQN-UHFFFAOYSA-N 1 3 320.433 1.881 20 10 DDCDHO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2cccc3c2CCNC3)C1 ZINC000662815419 424777071 /nfs/dbraw/zinc/77/70/71/424777071.db2.gz DOQOISLFOHTSSZ-HNNXBMFYSA-N 1 3 307.397 1.863 20 10 DDCDHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2cccc3c2CCNC3)C1 ZINC000662815422 424777355 /nfs/dbraw/zinc/77/73/55/424777355.db2.gz DOQOISLFOHTSSZ-OAHLLOKOSA-N 1 3 307.397 1.863 20 10 DDCDHO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000841003561 702306078 /nfs/dbraw/zinc/30/60/78/702306078.db2.gz ZVRUBCNHULYUDX-INIZCTEOSA-N 1 3 318.465 1.382 20 10 DDCDHO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000841003561 702306084 /nfs/dbraw/zinc/30/60/84/702306084.db2.gz ZVRUBCNHULYUDX-INIZCTEOSA-N 1 3 318.465 1.382 20 10 DDCDHO CN1CCN(c2ccc(CN[C@@H]3CC[NH2+]C3(C)C)cc2)CC1 ZINC000841086869 702340705 /nfs/dbraw/zinc/34/07/05/702340705.db2.gz PXQXCXRXFUPHEU-QGZVFWFLSA-N 1 3 302.466 1.669 20 10 DDCDHO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)n1cncn1 ZINC000817941205 702531167 /nfs/dbraw/zinc/53/11/67/702531167.db2.gz JKCVLKAOVRWYRS-CJNGLKHVSA-N 1 3 316.453 1.757 20 10 DDCDHO C[NH2+]C[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120574766 782031669 /nfs/dbraw/zinc/03/16/69/782031669.db2.gz XVJNJKKHZASORV-XJKSGUPXSA-N 1 3 321.469 1.262 20 10 DDCDHO CN1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000107797435 696631779 /nfs/dbraw/zinc/63/17/79/696631779.db2.gz VUOFEXLAEJKJHG-GOSISDBHSA-N 1 3 302.466 1.622 20 10 DDCDHO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CN(C)C ZINC000813787424 702418003 /nfs/dbraw/zinc/41/80/03/702418003.db2.gz YABYYLVEGSDAJQ-AWEZNQCLSA-N 1 3 309.429 1.950 20 10 DDCDHO C[C@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817936919 702529313 /nfs/dbraw/zinc/52/93/13/702529313.db2.gz SCCRBJVWVVNAEB-JSGCOSHPSA-N 1 3 307.413 1.965 20 10 DDCDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849025325 703612395 /nfs/dbraw/zinc/61/23/95/703612395.db2.gz ZBDQFGGSZJKQEL-CYBMUJFWSA-N 1 3 306.410 1.499 20 10 DDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC000876506226 705738025 /nfs/dbraw/zinc/73/80/25/705738025.db2.gz HMSLEWYDKGJPSU-INIZCTEOSA-N 1 3 320.481 1.847 20 10 DDCDHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001171762625 776449337 /nfs/dbraw/zinc/44/93/37/776449337.db2.gz INKKANOMYDAPRZ-UHFFFAOYSA-N 1 3 321.465 1.941 20 10 DDCDHO COc1ccc(O)c(CN2CC3(C2)CC[N@H+](CCN(C)C)C3)c1 ZINC001275278903 852948769 /nfs/dbraw/zinc/94/87/69/852948769.db2.gz QMJUFLZPXTYLFE-UHFFFAOYSA-N 1 3 319.449 1.470 20 10 DDCDHO COc1ccc(O)c(CN2CC3(C2)CC[N@@H+](CCN(C)C)C3)c1 ZINC001275278903 852948778 /nfs/dbraw/zinc/94/87/78/852948778.db2.gz QMJUFLZPXTYLFE-UHFFFAOYSA-N 1 3 319.449 1.470 20 10 DDCDHO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139409320 860389924 /nfs/dbraw/zinc/38/99/24/860389924.db2.gz IIYOMMLJHOZYGB-IBGZPJMESA-N 1 3 316.493 1.964 20 10 DDCDHO CN(C)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139409320 860389932 /nfs/dbraw/zinc/38/99/32/860389932.db2.gz IIYOMMLJHOZYGB-IBGZPJMESA-N 1 3 316.493 1.964 20 10 DDCDHO CC[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001355640418 878657555 /nfs/dbraw/zinc/65/75/55/878657555.db2.gz OYMOMZCMQVURJD-CZUORRHYSA-N 1 3 306.454 1.470 20 10 DDCDHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895843 702511531 /nfs/dbraw/zinc/51/15/31/702511531.db2.gz WXEQIIYPFMDFTE-ROUUACIJSA-N 1 3 303.450 1.865 20 10 DDCDHO C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1[O-] ZINC000817972672 702540295 /nfs/dbraw/zinc/54/02/95/702540295.db2.gz NMTDQOLYHAONAJ-BXUZGUMPSA-N 1 3 317.355 1.879 20 10 DDCDHO C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000925762655 714930352 /nfs/dbraw/zinc/93/03/52/714930352.db2.gz MXQZAUQNJFRFSK-CRAIPNDOSA-N 1 3 302.466 1.669 20 10 DDCDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925778353 714934024 /nfs/dbraw/zinc/93/40/24/714934024.db2.gz USRRVAOLYRFONI-ZIAGYGMSSA-N 1 3 318.465 1.604 20 10 DDCDHO C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1[O-] ZINC000925857429 714952215 /nfs/dbraw/zinc/95/22/15/714952215.db2.gz ZSZRQTMNPBFLOD-QWHCGFSZSA-N 1 3 304.390 1.728 20 10 DDCDHO [NH3+]CC1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001205040591 753739451 /nfs/dbraw/zinc/73/94/51/753739451.db2.gz GIDUNIHPTWTGPU-UHFFFAOYSA-N 1 3 307.413 1.833 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)CC2(C[NH3+])CC2)N(C)C)cc1 ZINC001122328555 858757424 /nfs/dbraw/zinc/75/74/24/858757424.db2.gz PATTVUDRYJRFDO-INIZCTEOSA-N 1 3 318.465 1.601 20 10 DDCDHO COc1ccc(N2CC[C@@H]([NH2+]C[C@H](O)CN3CCCC3)C2)cc1 ZINC001335458873 868313709 /nfs/dbraw/zinc/31/37/09/868313709.db2.gz DERVVVBPZOETIP-WBVHZDCISA-N 1 3 319.449 1.320 20 10 DDCDHO C[NH2+]CCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001337051192 869292684 /nfs/dbraw/zinc/29/26/84/869292684.db2.gz AXLJRETYIQOMRZ-MRXNPFEDSA-N 1 3 321.469 1.216 20 10 DDCDHO CN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000107797433 696631942 /nfs/dbraw/zinc/63/19/42/696631942.db2.gz VUOFEXLAEJKJHG-SFHVURJKSA-N 1 3 302.466 1.622 20 10 DDCDHO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771842841 701333950 /nfs/dbraw/zinc/33/39/50/701333950.db2.gz MYPZDGGLVAKPJE-QAPCUYQASA-N 1 3 302.466 1.478 20 10 DDCDHO CC(C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000906641505 712377018 /nfs/dbraw/zinc/37/70/18/712377018.db2.gz WQYYQVOLHKQUEB-HOTGVXAUSA-N 1 3 306.454 1.455 20 10 DDCDHO COc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(O)c1OC ZINC001335433295 868291031 /nfs/dbraw/zinc/29/10/31/868291031.db2.gz PBPSZKQZJXOYLA-GFCCVEGCSA-N 1 3 306.406 1.983 20 10 DDCDHO COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c([O-])c1 ZINC001249186544 893860910 /nfs/dbraw/zinc/86/09/10/893860910.db2.gz XZRFZHJFSDFHBF-ZBFHGGJFSA-N 1 3 318.417 1.491 20 10 DDCDHO COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c([O-])c1 ZINC001249186544 893860928 /nfs/dbraw/zinc/86/09/28/893860928.db2.gz XZRFZHJFSDFHBF-ZBFHGGJFSA-N 1 3 318.417 1.491 20 10 DDCDHO COC(=O)Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c([O-])c1 ZINC001249186544 893860942 /nfs/dbraw/zinc/86/09/42/893860942.db2.gz XZRFZHJFSDFHBF-ZBFHGGJFSA-N 1 3 318.417 1.491 20 10 DDCDHO COC(=O)Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c([O-])c1 ZINC001249186544 893860953 /nfs/dbraw/zinc/86/09/53/893860953.db2.gz XZRFZHJFSDFHBF-ZBFHGGJFSA-N 1 3 318.417 1.491 20 10 DDCDHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263259693 900549848 /nfs/dbraw/zinc/54/98/48/900549848.db2.gz FTKRGGGEDQJQHK-CJNGLKHVSA-N 1 3 306.454 1.327 20 10 DDCDHO CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c([O-])c1 ZINC000843122603 702824114 /nfs/dbraw/zinc/82/41/14/702824114.db2.gz NKFSGUXQQOVBLL-HNNXBMFYSA-N 1 3 305.422 1.270 20 10 DDCDHO CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c([O-])c1 ZINC000843122603 702824117 /nfs/dbraw/zinc/82/41/17/702824117.db2.gz NKFSGUXQQOVBLL-HNNXBMFYSA-N 1 3 305.422 1.270 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)N(C)C)cc1 ZINC001122328687 858756784 /nfs/dbraw/zinc/75/67/84/858756784.db2.gz SEVVLOQWWHDUPZ-SJLPKXTDSA-N 1 3 318.465 1.614 20 10 DDCDHO [NH3+][C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001205110700 871371352 /nfs/dbraw/zinc/37/13/52/871371352.db2.gz YMDOLYJZQJHOKA-INIZCTEOSA-N 1 3 303.450 1.961 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC001343046705 872481286 /nfs/dbraw/zinc/48/12/86/872481286.db2.gz FPRNOQZDGKEHHR-IAGOWNOFSA-N 1 3 318.465 1.614 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001346526823 873790773 /nfs/dbraw/zinc/79/07/73/873790773.db2.gz QNGVRPZKXUXIPP-ZBFHGGJFSA-N 1 3 319.453 1.016 20 10 DDCDHO CC[N@@H+]1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000124164045 696739805 /nfs/dbraw/zinc/73/98/05/696739805.db2.gz ADHJQJBXOCTBQJ-KRWDZBQOSA-N 1 3 303.450 1.955 20 10 DDCDHO CC[N@H+]1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000124164045 696739808 /nfs/dbraw/zinc/73/98/08/696739808.db2.gz ADHJQJBXOCTBQJ-KRWDZBQOSA-N 1 3 303.450 1.955 20 10 DDCDHO C[NH+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768445215 701177222 /nfs/dbraw/zinc/17/72/22/701177222.db2.gz GAXFJHKUCJHNRF-MRXNPFEDSA-N 1 3 306.406 1.592 20 10 DDCDHO NCC(=O)N1CCC[C@H](CN2CCCc3cc(C[NH3+])ccc32)C1 ZINC000843058003 702809632 /nfs/dbraw/zinc/80/96/32/702809632.db2.gz KRQPGKWHXRJBOI-OAHLLOKOSA-N 1 3 316.449 1.095 20 10 DDCDHO O=C1O[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CC12CC[NH2+]CC2 ZINC000925850238 714950900 /nfs/dbraw/zinc/95/09/00/714950900.db2.gz VHXAPMWKCJKVAK-KBPBESRZSA-N 1 3 316.401 1.654 20 10 DDCDHO COc1ccc(C[NH2+]CCNC(=O)CN(C)C2CCC2)cc1C ZINC001129532207 766919158 /nfs/dbraw/zinc/91/91/58/766919158.db2.gz VAIXQYVINIAWJF-UHFFFAOYSA-N 1 3 319.449 1.694 20 10 DDCDHO COc1cc(CN2CCC[C@@H](C(N)=O)C2)cc(C[NH+](C)C)c1O ZINC001139253026 860337099 /nfs/dbraw/zinc/33/70/99/860337099.db2.gz IZUIBGPJYYTSGE-CYBMUJFWSA-N 1 3 321.421 1.160 20 10 DDCDHO C[NH2+]C1CC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001342291470 872130447 /nfs/dbraw/zinc/13/04/47/872130447.db2.gz HMPDAAYVSKYQCL-VMBOVVBDSA-N 1 3 318.465 1.470 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC001342293255 872130865 /nfs/dbraw/zinc/13/08/65/872130865.db2.gz PQVDYTKDFORIRV-WBVHZDCISA-N 1 3 318.465 1.614 20 10 DDCDHO CC[C@H]([NH2+]C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343046774 872480844 /nfs/dbraw/zinc/48/08/44/872480844.db2.gz GHRVVEHJIHSQFQ-JKSUJKDBSA-N 1 3 306.454 1.470 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)N(C)C)cc1 ZINC001343048146 872481811 /nfs/dbraw/zinc/48/18/11/872481811.db2.gz UCHYAQVNTJFQGM-IIAWOOMASA-N 1 3 304.438 1.209 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)N(C)C)cc1 ZINC001343166749 872523843 /nfs/dbraw/zinc/52/38/43/872523843.db2.gz WBTLXINEEUAZFR-RDJZCZTQSA-N 1 3 322.428 1.173 20 10 DDCDHO C[NH2+]C[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263259694 900549514 /nfs/dbraw/zinc/54/95/14/900549514.db2.gz FTKRGGGEDQJQHK-CZUORRHYSA-N 1 3 306.454 1.327 20 10 DDCDHO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000841063866 702332575 /nfs/dbraw/zinc/33/25/75/702332575.db2.gz RKOQQKLGFUXLNR-QAPCUYQASA-N 1 3 302.466 1.669 20 10 DDCDHO CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@H]1CCC[N@@H+]1C ZINC000817417237 702375701 /nfs/dbraw/zinc/37/57/01/702375701.db2.gz IETYMVVSZNQYTB-LJQANCHMSA-N 1 3 316.493 1.964 20 10 DDCDHO CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@H]1CCC[N@H+]1C ZINC000817417237 702375710 /nfs/dbraw/zinc/37/57/10/702375710.db2.gz IETYMVVSZNQYTB-LJQANCHMSA-N 1 3 316.493 1.964 20 10 DDCDHO CN1CCN(c2ccc(CN[C@@]34CCC[C@H]3[NH2+]CC4)cc2)CC1 ZINC000873229817 707778536 /nfs/dbraw/zinc/77/85/36/707778536.db2.gz GKYJJLMDUDFTKF-RTBURBONSA-N 1 3 314.477 1.813 20 10 DDCDHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326232932 861218173 /nfs/dbraw/zinc/21/81/73/861218173.db2.gz UGHATQCCATWMTH-GOEBONIOSA-N 1 3 320.456 1.747 20 10 DDCDHO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000841059303 702329388 /nfs/dbraw/zinc/32/93/88/702329388.db2.gz PRMNLCJRZSAGCM-YJBOKZPZSA-N 1 3 302.466 1.526 20 10 DDCDHO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205682743 871693707 /nfs/dbraw/zinc/69/37/07/871693707.db2.gz UEHVKNLSUNGEQB-SFHVURJKSA-N 1 3 321.465 1.914 20 10 DDCDHO CCN(CC)c1ccc(C[N@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205682743 871693709 /nfs/dbraw/zinc/69/37/09/871693709.db2.gz UEHVKNLSUNGEQB-SFHVURJKSA-N 1 3 321.465 1.914 20 10 DDCDHO C[C@H]([NH3+])CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001353528671 877403071 /nfs/dbraw/zinc/40/30/71/877403071.db2.gz QGNVRZXDNIYSKI-BBRMVZONSA-N 1 3 321.469 1.344 20 10 DDCDHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(CC(=O)OC)cc1O ZINC001277420856 884166511 /nfs/dbraw/zinc/16/65/11/884166511.db2.gz HHPSRIKNQZGSJV-MQVJKMGUSA-N 1 3 318.417 1.823 20 10 DDCDHO C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001236082452 889097399 /nfs/dbraw/zinc/09/73/99/889097399.db2.gz ZDZPHZGGLVBDAU-UHFFFAOYSA-N 1 3 317.355 1.748 20 10 DDCDHO C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001236082452 889097408 /nfs/dbraw/zinc/09/74/08/889097408.db2.gz ZDZPHZGGLVBDAU-UHFFFAOYSA-N 1 3 317.355 1.748 20 10 DDCDHO CN(C)c1ccc(CN2CC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001275584905 853397402 /nfs/dbraw/zinc/39/74/02/853397402.db2.gz KFZLNYUFRNHCSR-UHFFFAOYSA-N 1 3 318.465 1.137 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](F)[C@@H](O)C3)cc2)CC1 ZINC001140302310 860614945 /nfs/dbraw/zinc/61/49/45/860614945.db2.gz NCKQAYQTTHXOJX-ROUUACIJSA-N 1 3 321.440 1.733 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](F)[C@@H](O)C3)cc2)CC1 ZINC001140302310 860614949 /nfs/dbraw/zinc/61/49/49/860614949.db2.gz NCKQAYQTTHXOJX-ROUUACIJSA-N 1 3 321.440 1.733 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+](CC)CCC(N)=O)cc2)CC1 ZINC001140304050 860615329 /nfs/dbraw/zinc/61/53/29/860615329.db2.gz GDXNRXKZQCLRRU-UHFFFAOYSA-N 1 3 318.465 1.526 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+](CC)CCC(N)=O)cc2)CC1 ZINC001140304050 860615335 /nfs/dbraw/zinc/61/53/35/860615335.db2.gz GDXNRXKZQCLRRU-UHFFFAOYSA-N 1 3 318.465 1.526 20 10 DDCDHO CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336924701 869219752 /nfs/dbraw/zinc/21/97/52/869219752.db2.gz XVTQTQLOVMHPRD-GOEBONIOSA-N 1 3 321.469 1.392 20 10 DDCDHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001343048605 872480627 /nfs/dbraw/zinc/48/06/27/872480627.db2.gz WDBULBPESOCPQL-COXVUDFISA-N 1 3 320.481 1.845 20 10 DDCDHO [O-]c1ccccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071531 702336356 /nfs/dbraw/zinc/33/63/56/702336356.db2.gz ZXZZDRPQIUPWAY-ZDUSSCGKSA-N 1 3 303.328 1.318 20 10 DDCDHO C[C@H]1[NH2+]CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C ZINC000843058811 702810082 /nfs/dbraw/zinc/81/00/82/702810082.db2.gz YQZAXHHMLYFDSN-HZPDHXFCSA-N 1 3 302.466 1.621 20 10 DDCDHO C[C@H]1[NH2+]CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1C ZINC000843058809 702810111 /nfs/dbraw/zinc/81/01/11/702810111.db2.gz YQZAXHHMLYFDSN-CVEARBPZSA-N 1 3 302.466 1.621 20 10 DDCDHO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000853247790 704224618 /nfs/dbraw/zinc/22/46/18/704224618.db2.gz BFWNQFFQRNAGAE-UHFFFAOYSA-N 1 3 323.412 1.612 20 10 DDCDHO COc1cccc([O-])c1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904392279 711851413 /nfs/dbraw/zinc/85/14/13/711851413.db2.gz OPQSRAALVCPVGO-CYBMUJFWSA-N 1 3 306.406 1.731 20 10 DDCDHO C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)ccc1[O-] ZINC000925859187 714952804 /nfs/dbraw/zinc/95/28/04/714952804.db2.gz WDUDUKKRLXSQTG-AAEUAGOBSA-N 1 3 322.380 1.867 20 10 DDCDHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001205663316 746373402 /nfs/dbraw/zinc/37/34/02/746373402.db2.gz HIRGENYXYSOQKI-GOSISDBHSA-N 1 3 303.450 1.963 20 10 DDCDHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001205663316 746373407 /nfs/dbraw/zinc/37/34/07/746373407.db2.gz HIRGENYXYSOQKI-GOSISDBHSA-N 1 3 303.450 1.963 20 10 DDCDHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001205663316 746373412 /nfs/dbraw/zinc/37/34/12/746373412.db2.gz HIRGENYXYSOQKI-GOSISDBHSA-N 1 3 303.450 1.963 20 10 DDCDHO Cc1c(O)ccc(CN2CC3(C2)CC[N@@H+](CCN(C)C)C3)c1O ZINC001276117875 854770348 /nfs/dbraw/zinc/77/03/48/854770348.db2.gz CKMYZHBHKACTEN-UHFFFAOYSA-N 1 3 319.449 1.476 20 10 DDCDHO Cc1c(O)ccc(CN2CC3(C2)CC[N@H+](CCN(C)C)C3)c1O ZINC001276117875 854770352 /nfs/dbraw/zinc/77/03/52/854770352.db2.gz CKMYZHBHKACTEN-UHFFFAOYSA-N 1 3 319.449 1.476 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)N(C)C)cc1 ZINC001122413975 858797771 /nfs/dbraw/zinc/79/77/71/858797771.db2.gz HVRZCABNMKVXRU-IAGOWNOFSA-N 1 3 318.465 1.599 20 10 DDCDHO CN(C)c1ccc(CN2CCN(CCC[NH+](C)C)CC2)c(O)c1 ZINC001232840249 886627405 /nfs/dbraw/zinc/62/74/05/886627405.db2.gz QWSPAYIWAJXJAE-UHFFFAOYSA-N 1 3 320.481 1.528 20 10 DDCDHO COc1cc(Br)cc(C[NH2+]C[C@H](C)C[NH3+])c1[O-] ZINC000841050134 702324837 /nfs/dbraw/zinc/32/48/37/702324837.db2.gz YHNNDIXYLPVVIO-MRVPVSSYSA-N 1 3 303.200 1.848 20 10 DDCDHO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843119945 702823278 /nfs/dbraw/zinc/82/32/78/702823278.db2.gz PPRJFQBSYHSCMK-JKSUJKDBSA-N 1 3 302.466 1.621 20 10 DDCDHO COc1cccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843122924 702824046 /nfs/dbraw/zinc/82/40/46/702824046.db2.gz XDZYUJNUIBKUHL-AWEZNQCLSA-N 1 3 321.421 1.220 20 10 DDCDHO CN1CCN(c2ccc(CN[C@@H]3CCCC[C@H]3[NH3+])cc2F)CC1 ZINC001329096566 863473514 /nfs/dbraw/zinc/47/35/14/863473514.db2.gz YRFXDWREJYXIJR-IAGOWNOFSA-N 1 3 320.456 1.937 20 10 DDCDHO COc1ccc(N2CCN(CCN[C@@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000817893531 702510632 /nfs/dbraw/zinc/51/06/32/702510632.db2.gz GNVQCOZALSZFOP-QZTJIDSGSA-N 1 3 318.465 1.287 20 10 DDCDHO CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000844222464 702996208 /nfs/dbraw/zinc/99/62/08/702996208.db2.gz GASZPXQMQHJRFZ-INIZCTEOSA-N 1 3 318.465 1.430 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@H]4CCC[C@@]4([NH3+])C3)cc2)CC1 ZINC000857226249 704565961 /nfs/dbraw/zinc/56/59/61/704565961.db2.gz JAYUETDJVOHKSC-IEBWSBKVSA-N 1 3 314.477 1.752 20 10 DDCDHO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122328823 858756827 /nfs/dbraw/zinc/75/68/27/858756827.db2.gz WQYYQVOLHKQUEB-JKSUJKDBSA-N 1 3 306.454 1.455 20 10 DDCDHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001140053971 860565627 /nfs/dbraw/zinc/56/56/27/860565627.db2.gz HCOLHYLDMMUUKO-JKSUJKDBSA-N 1 3 307.413 1.742 20 10 DDCDHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001140053971 860565628 /nfs/dbraw/zinc/56/56/28/860565628.db2.gz HCOLHYLDMMUUKO-JKSUJKDBSA-N 1 3 307.413 1.742 20 10 DDCDHO CCN1CCN(c2ccc(C[N@H+](C)CC3COC3)cc2)CC1 ZINC001140304630 860614919 /nfs/dbraw/zinc/61/49/19/860614919.db2.gz WPELJWOFYLLFAY-UHFFFAOYSA-N 1 3 303.450 1.907 20 10 DDCDHO CCN1CCN(c2ccc(C[N@@H+](C)CC3COC3)cc2)CC1 ZINC001140304630 860614923 /nfs/dbraw/zinc/61/49/23/860614923.db2.gz WPELJWOFYLLFAY-UHFFFAOYSA-N 1 3 303.450 1.907 20 10 DDCDHO C[NH2+]C[C@H](C)CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325267246 867900498 /nfs/dbraw/zinc/90/04/98/867900498.db2.gz KSXDNVGVGGJVGG-AWEZNQCLSA-N 1 3 308.445 1.523 20 10 DDCDHO CCN1CCN(c2ccc(CN3CC[C@@H]([NH3+])[C@H]3C)cc2)CC1 ZINC001205182839 871415750 /nfs/dbraw/zinc/41/57/50/871415750.db2.gz NJRDBXYIBUFQTJ-CRAIPNDOSA-N 1 3 302.466 1.750 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001346501844 873778698 /nfs/dbraw/zinc/77/86/98/873778698.db2.gz QNGVRPZKXUXIPP-GOEBONIOSA-N 1 3 319.453 1.016 20 10 DDCDHO C[N@@H+]1CCC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000068722639 696376179 /nfs/dbraw/zinc/37/61/79/696376179.db2.gz RAZSZFPWIARIRA-KRWDZBQOSA-N 1 3 303.450 1.955 20 10 DDCDHO C[N@H+]1CCC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000068722639 696376182 /nfs/dbraw/zinc/37/61/82/696376182.db2.gz RAZSZFPWIARIRA-KRWDZBQOSA-N 1 3 303.450 1.955 20 10 DDCDHO C[NH+](C)C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H]1C[NH+](C)C ZINC000877669299 706175310 /nfs/dbraw/zinc/17/53/10/706175310.db2.gz CEVISMWGKFQBID-HUUCEWRRSA-N 1 3 309.429 1.703 20 10 DDCDHO CN(C)c1ccc(/C=C/C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000835040827 707161404 /nfs/dbraw/zinc/16/14/04/707161404.db2.gz SIYVHJVUFJEUNT-SNAWJCMRSA-N 1 3 303.450 1.812 20 10 DDCDHO O=C1O[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CC12CC[NH2+]CC2 ZINC000925850241 714950946 /nfs/dbraw/zinc/95/09/46/714950946.db2.gz VHXAPMWKCJKVAK-KGLIPLIRSA-N 1 3 316.401 1.654 20 10 DDCDHO CN1CCN(c2ccc(CNC[C@H]3CCC[NH2+]C3)cc2F)CC1 ZINC001118018716 780991009 /nfs/dbraw/zinc/99/10/09/780991009.db2.gz JEUGOSRVSHCXOZ-INIZCTEOSA-N 1 3 320.456 1.667 20 10 DDCDHO CC[NH+]1CCN(c2ccc(CN3CC4(CCN4C)C3)cc2)CC1 ZINC001275194965 852881503 /nfs/dbraw/zinc/88/15/03/852881503.db2.gz VRCAFZDVHYESNT-UHFFFAOYSA-N 1 3 314.477 1.718 20 10 DDCDHO CN1CCN(c2ccc(CN[C@H](C[NH3+])C3CC3)cc2F)CC1 ZINC001331419301 865074308 /nfs/dbraw/zinc/07/43/08/865074308.db2.gz PUAIMSNXFVNYPH-MRXNPFEDSA-N 1 3 306.429 1.404 20 10 DDCDHO CN1CCN(c2ccc(C[NH2+][C@H](CN)C3CC3)cc2F)CC1 ZINC001331419301 865074324 /nfs/dbraw/zinc/07/43/24/865074324.db2.gz PUAIMSNXFVNYPH-MRXNPFEDSA-N 1 3 306.429 1.404 20 10 DDCDHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)cc1C ZINC001322090078 867973540 /nfs/dbraw/zinc/97/35/40/867973540.db2.gz YIFONNKZBXSEFY-HNNXBMFYSA-N 1 3 321.465 1.938 20 10 DDCDHO C[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001338732443 870139000 /nfs/dbraw/zinc/13/90/00/870139000.db2.gz PEFUARDOXKPPDU-DOMZBBRYSA-N 1 3 307.442 1.002 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC001236283051 889159289 /nfs/dbraw/zinc/15/92/89/889159289.db2.gz DTNQCOHUSJCSJN-SJLPKXTDSA-N 1 3 300.450 1.232 20 10 DDCDHO COc1ccc([O-])c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248363 421589464 /nfs/dbraw/zinc/58/94/64/421589464.db2.gz JXWJQRHVPSKJMV-KRWDZBQOSA-N 1 3 320.433 1.991 20 10 DDCDHO COc1cc(O)c(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000844900630 703082303 /nfs/dbraw/zinc/08/23/03/703082303.db2.gz BTCMIHKFNSOTEK-GUYCJALGSA-N 1 3 306.406 1.970 20 10 DDCDHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902516121 710778358 /nfs/dbraw/zinc/77/83/58/710778358.db2.gz BPJHFYGBDXBMIQ-FHLIZLRMSA-N 1 3 304.482 1.943 20 10 DDCDHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894176137 710999661 /nfs/dbraw/zinc/99/96/61/710999661.db2.gz PTUDKGCJJRVOIU-HNNXBMFYSA-N 1 3 321.465 1.825 20 10 DDCDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000903979258 711356403 /nfs/dbraw/zinc/35/64/03/711356403.db2.gz ZVQZIHJDJOGRQG-GHJWDPDVSA-N 1 3 308.353 1.244 20 10 DDCDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000903979258 711356406 /nfs/dbraw/zinc/35/64/06/711356406.db2.gz ZVQZIHJDJOGRQG-GHJWDPDVSA-N 1 3 308.353 1.244 20 10 DDCDHO C[NH2+][C@@H](C)CCNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328676240 863142638 /nfs/dbraw/zinc/14/26/38/863142638.db2.gz AUGKCQNSXWPGLS-AWEZNQCLSA-N 1 3 308.445 1.665 20 10 DDCDHO C[C@@H](C[NH3+])N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335707626 868488893 /nfs/dbraw/zinc/48/88/93/868488893.db2.gz JLEHWWGWJJNWNE-XJKSGUPXSA-N 1 3 321.469 1.344 20 10 DDCDHO CN1CCN(c2ccc(CNCCC[NH+](C)C)cc2F)CC1 ZINC001308178942 871477226 /nfs/dbraw/zinc/47/72/26/871477226.db2.gz CFABPFWWOVXBGB-UHFFFAOYSA-N 1 3 308.445 1.619 20 10 DDCDHO CN(C)CCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308178942 871477227 /nfs/dbraw/zinc/47/72/27/871477227.db2.gz CFABPFWWOVXBGB-UHFFFAOYSA-N 1 3 308.445 1.619 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001345637413 873462507 /nfs/dbraw/zinc/46/25/07/873462507.db2.gz LMXHEOVQJVQTBK-PBHICJAKSA-N 1 3 318.465 1.471 20 10 DDCDHO CCOc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c([O-])c1 ZINC000729684611 699485194 /nfs/dbraw/zinc/48/51/94/699485194.db2.gz UIJKPVLUYQMTSN-UHFFFAOYSA-N 1 3 321.465 1.908 20 10 DDCDHO CCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c([O-])c1 ZINC000729684611 699485195 /nfs/dbraw/zinc/48/51/95/699485195.db2.gz UIJKPVLUYQMTSN-UHFFFAOYSA-N 1 3 321.465 1.908 20 10 DDCDHO COc1ccc(N2CCN(CCN[C@H](C)C[C@H](C)[NH3+])CC2)cc1 ZINC000817892766 702510710 /nfs/dbraw/zinc/51/07/10/702510710.db2.gz CEKVLQVTVZHGRP-JKSUJKDBSA-N 1 3 320.481 1.533 20 10 DDCDHO C[NH2+]C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000843049516 702808211 /nfs/dbraw/zinc/80/82/11/702808211.db2.gz NQFYENMDPWAMEV-UHFFFAOYSA-N 1 3 302.466 1.622 20 10 DDCDHO COc1ccc(O)c(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000843121938 702823749 /nfs/dbraw/zinc/82/37/49/702823749.db2.gz LVINCMFTMYAHOM-CQSZACIVSA-N 1 3 321.421 1.220 20 10 DDCDHO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1[O-] ZINC000843123587 702824270 /nfs/dbraw/zinc/82/42/70/702824270.db2.gz SFKYIUJZFFEXTB-OAHLLOKOSA-N 1 3 309.841 1.834 20 10 DDCDHO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1[O-] ZINC000843123587 702824271 /nfs/dbraw/zinc/82/42/71/702824271.db2.gz SFKYIUJZFFEXTB-OAHLLOKOSA-N 1 3 309.841 1.834 20 10 DDCDHO Cc1cccc(O)c1CNCC(=O)NCC[NH+]1CCCCCC1 ZINC000877548724 706139360 /nfs/dbraw/zinc/13/93/60/706139360.db2.gz SNRHJCUWAGKVHD-UHFFFAOYSA-N 1 3 319.449 1.782 20 10 DDCDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCc1cc(O)c(O)cc1O)C2 ZINC001172108129 776648595 /nfs/dbraw/zinc/64/85/95/776648595.db2.gz QDUPIKIUXGOMLB-BTTYYORXSA-N 1 3 306.406 1.951 20 10 DDCDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCc1cc(O)c(O)cc1O)C2 ZINC001172108129 776648606 /nfs/dbraw/zinc/64/86/06/776648606.db2.gz QDUPIKIUXGOMLB-BTTYYORXSA-N 1 3 306.406 1.951 20 10 DDCDHO CCN1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@H]2C1 ZINC001138499736 860120762 /nfs/dbraw/zinc/12/07/62/860120762.db2.gz GTKYUZQEFZPHQM-QZTJIDSGSA-N 1 3 315.461 1.907 20 10 DDCDHO COc1cc(CN2CCC[C@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139256613 860337957 /nfs/dbraw/zinc/33/79/57/860337957.db2.gz FCWLWMFSRHCEPX-KRWDZBQOSA-N 1 3 308.422 1.809 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[NH2+]C2CC2)N(C)C)cc1 ZINC001342291481 872130926 /nfs/dbraw/zinc/13/09/26/872130926.db2.gz HXKKZUVMULLHAT-MRXNPFEDSA-N 1 3 304.438 1.224 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC001346711322 873859242 /nfs/dbraw/zinc/85/92/42/873859242.db2.gz KPWJETOIVGJUDO-ZBFHGGJFSA-N 1 3 319.453 1.098 20 10 DDCDHO CN1CCN(c2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC001353899870 877638562 /nfs/dbraw/zinc/63/85/62/877638562.db2.gz QMBVVVMEZIIPFU-JKSUJKDBSA-N 1 3 320.456 1.937 20 10 DDCDHO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771842842 701333930 /nfs/dbraw/zinc/33/39/30/701333930.db2.gz MYPZDGGLVAKPJE-YJBOKZPZSA-N 1 3 302.466 1.478 20 10 DDCDHO Cc1cc(N(C)C)ccc1CNC1(CCO)CC[NH+](C)CC1 ZINC000840938905 702286717 /nfs/dbraw/zinc/28/67/17/702286717.db2.gz IABPEMFPEQMYPQ-UHFFFAOYSA-N 1 3 305.466 1.997 20 10 DDCDHO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2)C1 ZINC000817889572 702509936 /nfs/dbraw/zinc/50/99/36/702509936.db2.gz PMOJIIXFBMDIOD-PVAVHDDUSA-N 1 3 316.449 1.358 20 10 DDCDHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894490 702511610 /nfs/dbraw/zinc/51/16/10/702511610.db2.gz LKLUHXFKLATZAF-CVEARBPZSA-N 1 3 307.413 1.756 20 10 DDCDHO O[C@H](CNCCCSc1nccs1)C[NH+]1CCCC1 ZINC000863553075 705955906 /nfs/dbraw/zinc/95/59/06/705955906.db2.gz UCEIZNKQZZHCLF-GFCCVEGCSA-N 1 3 301.481 1.672 20 10 DDCDHO CN1CCN(c2ccc(CN3C[C@@H]([NH3+])C(C)(C)C3)cc2)CC1 ZINC000903987194 711360025 /nfs/dbraw/zinc/36/00/25/711360025.db2.gz YEPVGOOCQHPXRN-QGZVFWFLSA-N 1 3 302.466 1.608 20 10 DDCDHO [NH3+][C@H](CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)c1ccccc1[O-] ZINC001158579121 864745364 /nfs/dbraw/zinc/74/53/64/864745364.db2.gz OOPDQYPLBRMMDO-FPMFFAJLSA-N 1 3 321.396 1.318 20 10 DDCDHO CN(C)c1ccc(/C=C/CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843123618 702824767 /nfs/dbraw/zinc/82/47/67/702824767.db2.gz SXMBOCNPKHIIET-RTLBZRNLSA-N 1 3 314.477 1.745 20 10 DDCDHO O[C@@H](CNCCCSc1nccs1)C[NH+]1CCCC1 ZINC000863553076 705956027 /nfs/dbraw/zinc/95/60/27/705956027.db2.gz UCEIZNKQZZHCLF-LBPRGKRZSA-N 1 3 301.481 1.672 20 10 DDCDHO COc1ccc(CNC2(CNC(=O)CC[NH+](C)C)CC2)cc1C ZINC001269484494 841681555 /nfs/dbraw/zinc/68/15/55/841681555.db2.gz MIMPPFQBDAAIBE-UHFFFAOYSA-N 1 3 319.449 1.694 20 10 DDCDHO CCN1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)[C@H](C)C1 ZINC001139260726 860341018 /nfs/dbraw/zinc/34/10/18/860341018.db2.gz WYRDJTLNLNATMX-CQSZACIVSA-N 1 3 321.465 1.988 20 10 DDCDHO C[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120665283 782082872 /nfs/dbraw/zinc/08/28/72/782082872.db2.gz PEFUARDOXKPPDU-SWLSCSKDSA-N 1 3 307.442 1.002 20 10 DDCDHO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000841059299 702329924 /nfs/dbraw/zinc/32/99/24/702329924.db2.gz PRMNLCJRZSAGCM-MAUKXSAKSA-N 1 3 302.466 1.526 20 10 DDCDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817890802 702509434 /nfs/dbraw/zinc/50/94/34/702509434.db2.gz ZLJLBDJFDUTDEM-DZKIICNBSA-N 1 3 318.465 1.604 20 10 DDCDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817890805 702509767 /nfs/dbraw/zinc/50/97/67/702509767.db2.gz ZLJLBDJFDUTDEM-SQWLQELKSA-N 1 3 318.465 1.604 20 10 DDCDHO C[C@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[NH2+]1 ZINC001117953661 780961319 /nfs/dbraw/zinc/96/13/19/780961319.db2.gz KVLZFDVEZKIOOU-GOEBONIOSA-N 1 3 320.456 1.808 20 10 DDCDHO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161134686 866396430 /nfs/dbraw/zinc/39/64/30/866396430.db2.gz IVHSYCKVEDGGAB-QGZVFWFLSA-N 1 3 318.465 1.428 20 10 DDCDHO CCOc1ccc(O)c(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282419155 409050954 /nfs/dbraw/zinc/05/09/54/409050954.db2.gz QRMWDHMXXIHPKY-UHFFFAOYSA-N 1 3 321.465 1.907 20 10 DDCDHO CC[N@@H+]1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000124163855 696739864 /nfs/dbraw/zinc/73/98/64/696739864.db2.gz ADHJQJBXOCTBQJ-QGZVFWFLSA-N 1 3 303.450 1.955 20 10 DDCDHO CC[N@H+]1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000124163855 696739867 /nfs/dbraw/zinc/73/98/67/696739867.db2.gz ADHJQJBXOCTBQJ-QGZVFWFLSA-N 1 3 303.450 1.955 20 10 DDCDHO CN(C)c1ccc([C@H]([NH3+])CN[C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000817944330 702532618 /nfs/dbraw/zinc/53/26/18/702532618.db2.gz ZHLRYJRWQLEZGY-KURKYZTESA-N 1 3 318.465 1.109 20 10 DDCDHO CN1CC(C[N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000827124995 705934997 /nfs/dbraw/zinc/93/49/97/705934997.db2.gz GOKIQNGWCOZPFJ-UHFFFAOYSA-N 1 3 302.466 1.432 20 10 DDCDHO CN1CC(C[N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000827124995 705934998 /nfs/dbraw/zinc/93/49/98/705934998.db2.gz GOKIQNGWCOZPFJ-UHFFFAOYSA-N 1 3 302.466 1.432 20 10 DDCDHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001133965919 770505826 /nfs/dbraw/zinc/50/58/26/770505826.db2.gz PNBGJZZSHGWLLT-HNNXBMFYSA-N 1 3 307.438 1.550 20 10 DDCDHO CC(C)C[NH2+]CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001345637663 873462529 /nfs/dbraw/zinc/46/25/29/873462529.db2.gz NAMPISFGWKEJGW-QGZVFWFLSA-N 1 3 320.481 1.717 20 10 DDCDHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120574764 782031236 /nfs/dbraw/zinc/03/12/36/782031236.db2.gz XVJNJKKHZASORV-CJNGLKHVSA-N 1 3 321.469 1.262 20 10 DDCDHO C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000841101153 702347110 /nfs/dbraw/zinc/34/71/10/702347110.db2.gz PPQRAWSXZKLOKT-NVXWUHKLSA-N 1 3 303.450 1.940 20 10 DDCDHO COc1ccc(N2CCN(CCN[C@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000817893529 702510896 /nfs/dbraw/zinc/51/08/96/702510896.db2.gz GNVQCOZALSZFOP-MSOLQXFVSA-N 1 3 318.465 1.287 20 10 DDCDHO C[NH2+]CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122327977 858755662 /nfs/dbraw/zinc/75/56/62/858755662.db2.gz APBBWIIWEZUUGC-INIZCTEOSA-N 1 3 306.454 1.471 20 10 DDCDHO COc1cc(CN2CCC[C@H](C(N)=O)C2)cc(C[NH+](C)C)c1O ZINC001139253027 860336890 /nfs/dbraw/zinc/33/68/90/860336890.db2.gz IZUIBGPJYYTSGE-ZDUSSCGKSA-N 1 3 321.421 1.160 20 10 DDCDHO C[C@H]([NH3+])CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001353528676 877402635 /nfs/dbraw/zinc/40/26/35/877402635.db2.gz QGNVRZXDNIYSKI-XJKSGUPXSA-N 1 3 321.469 1.344 20 10 DDCDHO COc1cc(N(C)C)ccc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222099664 880249878 /nfs/dbraw/zinc/24/98/78/880249878.db2.gz IZWOTJZYXLPTIF-UHFFFAOYSA-N 1 3 318.465 1.289 20 10 DDCDHO Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1C ZINC000841099025 702345627 /nfs/dbraw/zinc/34/56/27/702345627.db2.gz BKSVBBHAVRSOCY-INIZCTEOSA-N 1 3 315.421 1.896 20 10 DDCDHO Cc1cc(O)c(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1C ZINC000841099025 702345636 /nfs/dbraw/zinc/34/56/36/702345636.db2.gz BKSVBBHAVRSOCY-INIZCTEOSA-N 1 3 315.421 1.896 20 10 DDCDHO CN1CCC([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000830138836 706463014 /nfs/dbraw/zinc/46/30/14/706463014.db2.gz AWBFWACYKDZTBH-UHFFFAOYSA-N 1 3 302.466 1.622 20 10 DDCDHO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2)CC1 ZINC000925776732 714933493 /nfs/dbraw/zinc/93/34/93/714933493.db2.gz IGLGICAPCRUUAA-IRXDYDNUSA-N 1 3 316.449 1.358 20 10 DDCDHO C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)ccc1[O-] ZINC000925859192 714952772 /nfs/dbraw/zinc/95/27/72/714952772.db2.gz WDUDUKKRLXSQTG-WCQYABFASA-N 1 3 322.380 1.867 20 10 DDCDHO COc1cccc(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001275271058 852944395 /nfs/dbraw/zinc/94/43/95/852944395.db2.gz ORONXJKUMNLFFM-IYBDPMFKSA-N 1 3 319.449 1.611 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)CC2(C[NH3+])CC2)N(C)C)cc1 ZINC001122328556 858757220 /nfs/dbraw/zinc/75/72/20/858757220.db2.gz PATTVUDRYJRFDO-MRXNPFEDSA-N 1 3 318.465 1.601 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H](N)C(C)(C)C)[NH+](C)C)cc1 ZINC001343164847 872521813 /nfs/dbraw/zinc/52/18/13/872521813.db2.gz BCYIUEVWIDZMIH-JKSUJKDBSA-N 1 3 320.481 1.845 20 10 DDCDHO COc1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1O ZINC000282349613 409038939 /nfs/dbraw/zinc/03/89/39/409038939.db2.gz MSMTYJDAGHALQV-UHFFFAOYSA-N 1 3 307.438 1.516 20 10 DDCDHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000321883928 698730958 /nfs/dbraw/zinc/73/09/58/698730958.db2.gz KBSOIPVTDRFAQE-ZBFHGGJFSA-N 1 3 317.433 1.472 20 10 DDCDHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000321883928 698730961 /nfs/dbraw/zinc/73/09/61/698730961.db2.gz KBSOIPVTDRFAQE-ZBFHGGJFSA-N 1 3 317.433 1.472 20 10 DDCDHO [O-]c1ccccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071530 702335940 /nfs/dbraw/zinc/33/59/40/702335940.db2.gz ZXZZDRPQIUPWAY-CYBMUJFWSA-N 1 3 303.328 1.318 20 10 DDCDHO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000841099006 702345872 /nfs/dbraw/zinc/34/58/72/702345872.db2.gz AXPMQXJMPACLFX-QGZVFWFLSA-N 1 3 314.437 1.640 20 10 DDCDHO CN(C)c1ccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000841099006 702345878 /nfs/dbraw/zinc/34/58/78/702345878.db2.gz AXPMQXJMPACLFX-QGZVFWFLSA-N 1 3 314.437 1.640 20 10 DDCDHO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843066417 702812624 /nfs/dbraw/zinc/81/26/24/702812624.db2.gz WUTWUIOGHMQEQD-IYBDPMFKSA-N 1 3 302.466 1.621 20 10 DDCDHO [NH3+]C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC12CCOCC2 ZINC000843124805 702824710 /nfs/dbraw/zinc/82/47/10/702824710.db2.gz HAQUDPPQELJGML-CYBMUJFWSA-N 1 3 320.389 1.308 20 10 DDCDHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001205663317 746374240 /nfs/dbraw/zinc/37/42/40/746374240.db2.gz HIRGENYXYSOQKI-SFHVURJKSA-N 1 3 303.450 1.963 20 10 DDCDHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001205663317 746374244 /nfs/dbraw/zinc/37/42/44/746374244.db2.gz HIRGENYXYSOQKI-SFHVURJKSA-N 1 3 303.450 1.963 20 10 DDCDHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001205663317 746374247 /nfs/dbraw/zinc/37/42/47/746374247.db2.gz HIRGENYXYSOQKI-SFHVURJKSA-N 1 3 303.450 1.963 20 10 DDCDHO CN(C)c1ccc([C@H](CNC(=O)CC2([NH3+])CC2)N(C)C)cc1 ZINC001122328933 858756901 /nfs/dbraw/zinc/75/69/01/858756901.db2.gz ZPXPDXNZOKPKHG-HNNXBMFYSA-N 1 3 304.438 1.353 20 10 DDCDHO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001218955610 877831432 /nfs/dbraw/zinc/83/14/32/877831432.db2.gz NPZANZJUNZQILX-KRWDZBQOSA-N 1 3 312.417 1.868 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)N(C)C)cc1 ZINC001355639304 878656388 /nfs/dbraw/zinc/65/63/88/878656388.db2.gz IDCWXLNXACYWQU-AEFFLSMTSA-N 1 3 318.465 1.471 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)N(C)C)cc1 ZINC001355639363 878657138 /nfs/dbraw/zinc/65/71/38/878657138.db2.gz JBDGTMKIVWDXOL-CVEARBPZSA-N 1 3 318.465 1.470 20 10 DDCDHO C[NH2+]C[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263259692 900550190 /nfs/dbraw/zinc/55/01/90/900550190.db2.gz FTKRGGGEDQJQHK-BBRMVZONSA-N 1 3 306.454 1.327 20 10 DDCDHO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)n1cncn1 ZINC000817941203 702531528 /nfs/dbraw/zinc/53/15/28/702531528.db2.gz JKCVLKAOVRWYRS-BBRMVZONSA-N 1 3 316.453 1.757 20 10 DDCDHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000922388380 714036751 /nfs/dbraw/zinc/03/67/51/714036751.db2.gz PIVPDPDAKUQGMA-NRSFXHEJSA-N 1 3 304.434 1.962 20 10 DDCDHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000922388380 714036753 /nfs/dbraw/zinc/03/67/53/714036753.db2.gz PIVPDPDAKUQGMA-NRSFXHEJSA-N 1 3 304.434 1.962 20 10 DDCDHO C[NH+]1CCC(CN2CCN(Cc3cc(O)ccc3O)CC2)CC1 ZINC001141161290 860799343 /nfs/dbraw/zinc/79/93/43/860799343.db2.gz CIIDFPRFACGAQL-UHFFFAOYSA-N 1 3 319.449 1.557 20 10 DDCDHO C[C@@H](C[NH3+])CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336892533 869203491 /nfs/dbraw/zinc/20/34/91/869203491.db2.gz BRKHAPPWGZMYAB-BBRMVZONSA-N 1 3 321.469 1.249 20 10 DDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC001345637416 873462816 /nfs/dbraw/zinc/46/28/16/873462816.db2.gz LMXHEOVQJVQTBK-RHSMWYFYSA-N 1 3 318.465 1.471 20 10 DDCDHO Cc1cc(C)c(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)c(O)c1 ZINC001220825408 879290693 /nfs/dbraw/zinc/29/06/93/879290693.db2.gz GMKZCSDHJQPMIN-HNNXBMFYSA-N 1 3 317.433 1.499 20 10 DDCDHO Cc1cc(C)c(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)c(O)c1 ZINC001220825408 879290708 /nfs/dbraw/zinc/29/07/08/879290708.db2.gz GMKZCSDHJQPMIN-HNNXBMFYSA-N 1 3 317.433 1.499 20 10 DDCDHO [NH3+][C@H](CC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)c1ccccc1[O-] ZINC001221248333 879616258 /nfs/dbraw/zinc/61/62/58/879616258.db2.gz SDBXHDAUDIYSLN-CRAIPNDOSA-N 1 3 317.433 1.821 20 10 DDCDHO [NH3+][C@H](CC(=O)N[C@H](C1CCC1)C1C[NH2+]C1)c1ccccc1[O-] ZINC001221408320 879762715 /nfs/dbraw/zinc/76/27/15/879762715.db2.gz IJJMBYFIJTZKCR-RHSMWYFYSA-N 1 3 303.406 1.286 20 10 DDCDHO CCN1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC001236283049 889161186 /nfs/dbraw/zinc/16/11/86/889161186.db2.gz DTNQCOHUSJCSJN-AEFFLSMTSA-N 1 3 300.450 1.232 20 10 DDCDHO COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([O-])c1 ZINC001236321359 889186815 /nfs/dbraw/zinc/18/68/15/889186815.db2.gz LLLJVGWDRWLAKE-GASCZTMLSA-N 1 3 318.417 1.539 20 10 DDCDHO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([O-])c1 ZINC001236321359 889186826 /nfs/dbraw/zinc/18/68/26/889186826.db2.gz LLLJVGWDRWLAKE-GASCZTMLSA-N 1 3 318.417 1.539 20 10 DDCDHO C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295836159 409370149 /nfs/dbraw/zinc/37/01/49/409370149.db2.gz FJJICBSLLMQMLS-INIZCTEOSA-N 1 3 303.450 1.995 20 10 DDCDHO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000841003562 702306464 /nfs/dbraw/zinc/30/64/64/702306464.db2.gz ZVRUBCNHULYUDX-MRXNPFEDSA-N 1 3 318.465 1.382 20 10 DDCDHO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000841003562 702306471 /nfs/dbraw/zinc/30/64/71/702306471.db2.gz ZVRUBCNHULYUDX-MRXNPFEDSA-N 1 3 318.465 1.382 20 10 DDCDHO NCC(=O)N1CCC[C@@H](CN2CCCc3cc(C[NH3+])ccc32)C1 ZINC000843058002 702809589 /nfs/dbraw/zinc/80/95/89/702809589.db2.gz KRQPGKWHXRJBOI-HNNXBMFYSA-N 1 3 316.449 1.095 20 10 DDCDHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000922388381 714036952 /nfs/dbraw/zinc/03/69/52/714036952.db2.gz PIVPDPDAKUQGMA-VDHUWJSZSA-N 1 3 304.434 1.962 20 10 DDCDHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000922388381 714036954 /nfs/dbraw/zinc/03/69/54/714036954.db2.gz PIVPDPDAKUQGMA-VDHUWJSZSA-N 1 3 304.434 1.962 20 10 DDCDHO