smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272379982 814676237 /nfs/dbraw/zinc/67/62/37/814676237.db2.gz FNAUDOMSMKRFBD-SYJIQKIWSA-N 2 0 361.486 1.986 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000895606986 822670330 /nfs/dbraw/zinc/67/03/30/822670330.db2.gz ISHXMUCBXHJFBZ-PKOBYXMFSA-N 2 0 365.543 1.884 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[N@H+](C)C3CCC3)CC2)cc1 ZINC000173914902 866163505 /nfs/dbraw/zinc/16/35/05/866163505.db2.gz BJLJKESFYDNUKJ-UHFFFAOYSA-N 2 0 374.529 1.808 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000771823768 930927486 /nfs/dbraw/zinc/92/74/86/930927486.db2.gz QTYRSBQDUNBIDN-UHFFFAOYSA-N 2 0 356.514 1.929 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)cc2)CC1 ZINC000809770960 940893103 /nfs/dbraw/zinc/89/31/03/940893103.db2.gz BWRAXQCBFISEIU-IBGZPJMESA-N 2 0 356.514 1.883 20 10 FDCDRP COc1ccc(N(C)CC[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000846225527 950740054 /nfs/dbraw/zinc/74/00/54/950740054.db2.gz NZCPUTHYOOAGEE-SFTDATJTSA-N 2 0 357.498 1.994 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCCCS(C)(=O)=O)cc2)CC1 ZINC000775373999 967723234 /nfs/dbraw/zinc/72/32/34/967723234.db2.gz GBQQJCBZZJECBG-UHFFFAOYSA-N 2 0 353.532 1.743 20 10 FDCDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883514714 982233401 /nfs/dbraw/zinc/23/34/01/982233401.db2.gz OYWRAIKGPULZEM-OXQOHEQNSA-N 2 0 371.529 1.720 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000873844675 989311394 /nfs/dbraw/zinc/31/13/94/989311394.db2.gz NXKDWUTYUUCVTE-GOSISDBHSA-N 2 0 374.529 1.665 20 10 FDCDRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)CCO2 ZINC000877607733 993377771 /nfs/dbraw/zinc/37/77/71/993377771.db2.gz KEWZFMZCCGETDU-UHFFFAOYSA-N 2 0 359.514 1.944 20 10 FDCDRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666382 998516844 /nfs/dbraw/zinc/51/68/44/998516844.db2.gz LFAKOHHKXMKJJV-PXNSSMCTSA-N 2 0 373.545 1.920 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000269242761 999466102 /nfs/dbraw/zinc/46/61/02/999466102.db2.gz CEQOOXPQLYJVMI-IBGZPJMESA-N 2 0 362.518 1.697 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(F)CC[NH2+]C3)cc2F)CC1 ZINC000372105724 677843110 /nfs/dbraw/zinc/84/31/10/677843110.db2.gz PRCCXUZHMRCFME-SFHVURJKSA-N 2 0 352.429 1.285 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000275779023 773721647 /nfs/dbraw/zinc/72/16/47/773721647.db2.gz PITMBQTYCBHORR-MAUKXSAKSA-N 2 0 364.465 1.024 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000892940446 791816288 /nfs/dbraw/zinc/81/62/88/791816288.db2.gz WZBUUDYSMSTMGV-YSIASYRMSA-N 2 0 371.529 1.707 20 10 FDCDRP [NH3+]C1(C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)Cc2ccccc2C1 ZINC000364140803 795265414 /nfs/dbraw/zinc/26/54/14/795265414.db2.gz OJGAPNFDZIOJFE-UHFFFAOYSA-N 2 0 368.456 1.348 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCN3C[C@H]4CCCCN4C3=O)cc2)CC1 ZINC000895344701 822510314 /nfs/dbraw/zinc/51/03/14/822510314.db2.gz WETGBJMFTCBODF-HXUWFJFHSA-N 2 0 371.529 1.818 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000895606982 822670307 /nfs/dbraw/zinc/67/03/07/822670307.db2.gz ISHXMUCBXHJFBZ-IEBWSBKVSA-N 2 0 365.543 1.884 20 10 FDCDRP COc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(O)c1OC ZINC000895699818 822705516 /nfs/dbraw/zinc/70/55/16/822705516.db2.gz PZJWMGJJMNWWJI-HZPDHXFCSA-N 2 0 351.491 1.581 20 10 FDCDRP CC[NH2+]CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841870364 839580096 /nfs/dbraw/zinc/58/00/96/839580096.db2.gz ZFMQQSZVPYXYTI-UHFFFAOYSA-N 2 0 359.518 1.627 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C)CC2)cc1 ZINC000923370516 889027588 /nfs/dbraw/zinc/02/75/88/889027588.db2.gz PTNUJPJCTWQZAL-HKUYNNGSSA-N 2 0 364.534 1.141 20 10 FDCDRP O=C1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000923429779 889209106 /nfs/dbraw/zinc/20/91/06/889209106.db2.gz ABVHLKLKLVEBQP-CTNGQTDRSA-N 2 0 372.513 1.260 20 10 FDCDRP CN(CCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)CC[NH+](C)C ZINC000809788677 940902268 /nfs/dbraw/zinc/90/22/68/940902268.db2.gz VDAIUBXBEJVKLZ-UHFFFAOYSA-N 3 0 361.578 1.754 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2F)CC1 ZINC000817902512 943070864 /nfs/dbraw/zinc/07/08/64/943070864.db2.gz SAOSZBUIVZIHFJ-HHXXYDBFSA-N 3 0 364.509 1.810 20 10 FDCDRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817945832 943090457 /nfs/dbraw/zinc/09/04/57/943090457.db2.gz NCHQIFSHGXELJM-AWEZNQCLSA-N 2 0 366.893 1.259 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)Cn3cccn3)cc2F)CC1 ZINC000819032493 943408935 /nfs/dbraw/zinc/40/89/35/943408935.db2.gz IVWLEGXPQIAQEY-QGZVFWFLSA-N 2 0 361.465 1.315 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C3([NH3+])CCCC3)CC2)cc1 ZINC000844190929 947826700 /nfs/dbraw/zinc/82/67/00/947826700.db2.gz FYJBDJGHNGGFIK-UHFFFAOYSA-N 2 0 360.502 1.595 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])CC2)cc1 ZINC000846225892 950738069 /nfs/dbraw/zinc/73/80/69/950738069.db2.gz HAVNQIUIACKFRH-PXNSSMCTSA-N 2 0 374.529 1.793 20 10 FDCDRP CN1CCC2(CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)C1=O ZINC000775204800 966616107 /nfs/dbraw/zinc/61/61/07/966616107.db2.gz RFCDJVQBDRNQBI-UHFFFAOYSA-N 2 0 356.514 1.883 20 10 FDCDRP COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776811539 970329410 /nfs/dbraw/zinc/32/94/10/970329410.db2.gz AVGHPNJEVQGWJX-VQTJNVASSA-N 2 0 363.502 1.349 20 10 FDCDRP COc1cc([N+](=O)[O-])c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1OC ZINC000866011363 974619811 /nfs/dbraw/zinc/61/98/11/974619811.db2.gz DIYXORHWVYIMAH-ZIAGYGMSSA-N 2 0 366.462 1.788 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2)CC1 ZINC000883436352 982143328 /nfs/dbraw/zinc/14/33/28/982143328.db2.gz QOIPSEGETROYKD-LJQANCHMSA-N 2 0 371.529 1.722 20 10 FDCDRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883452437 982159347 /nfs/dbraw/zinc/15/93/47/982159347.db2.gz WMRCEQQIKBREDX-IBGZPJMESA-N 2 0 359.518 1.722 20 10 FDCDRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883514712 982233171 /nfs/dbraw/zinc/23/31/71/982233171.db2.gz OYWRAIKGPULZEM-JXFKEZNVSA-N 2 0 371.529 1.720 20 10 FDCDRP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000883728922 982421382 /nfs/dbraw/zinc/42/13/82/982421382.db2.gz BMVFEKVVYVNYHA-CTXDPNEZSA-N 2 0 371.529 1.863 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2F)CC1 ZINC000294172218 988330972 /nfs/dbraw/zinc/33/09/72/988330972.db2.gz SOEVVSWEZNAUHK-IAGOWNOFSA-N 2 0 362.493 1.959 20 10 FDCDRP COc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1O ZINC000369852618 989240915 /nfs/dbraw/zinc/24/09/15/989240915.db2.gz RQOHBUZTNOZLHJ-HNNXBMFYSA-N 2 0 362.474 1.369 20 10 FDCDRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000925810473 995786888 /nfs/dbraw/zinc/78/68/88/995786888.db2.gz ODFGXFGRUPAKSV-HNNXBMFYSA-N 2 0 350.482 1.736 20 10 FDCDRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162502007 525269650 /nfs/dbraw/zinc/26/96/50/525269650.db2.gz NOFIMBCDEOGHSM-QGZVFWFLSA-N 2 0 364.509 1.950 20 10 FDCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000155125869 525754012 /nfs/dbraw/zinc/75/40/12/525754012.db2.gz NUJLZYVMGKOKDB-SJORKVTESA-N 2 0 364.509 1.949 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)C[N@H+](C)[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000891254620 774147603 /nfs/dbraw/zinc/14/76/03/774147603.db2.gz ZNOFHCLVTHWLPQ-QZTJIDSGSA-N 2 0 364.559 1.909 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2)CC1 ZINC000892938621 791793311 /nfs/dbraw/zinc/79/33/11/791793311.db2.gz BNSVIDRXIGTDFV-OYRHEFFESA-N 2 0 371.529 1.579 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000892938876 791800365 /nfs/dbraw/zinc/80/03/65/791800365.db2.gz GFHUKXPKSYCRGC-MJGOQNOKSA-N 2 0 357.502 1.332 20 10 FDCDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841102104 828678102 /nfs/dbraw/zinc/67/81/02/828678102.db2.gz CBIVXPMGMUCKEX-QGZVFWFLSA-N 2 0 361.490 1.082 20 10 FDCDRP COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+])CC2)cc1 ZINC000923294021 888786170 /nfs/dbraw/zinc/78/61/70/888786170.db2.gz DDXPXHBCMAJLSZ-GOSISDBHSA-N 2 0 364.534 1.095 20 10 FDCDRP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700650 940879988 /nfs/dbraw/zinc/87/99/88/940879988.db2.gz LGKDDRNEGYCBHD-NQIIRXRSSA-N 2 0 358.530 1.733 20 10 FDCDRP O[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Cn1cccn1 ZINC000819200792 943472616 /nfs/dbraw/zinc/47/26/16/943472616.db2.gz VDVXPLWBENBPAM-NRFANRHFSA-N 2 0 369.513 1.566 20 10 FDCDRP CN1C(=O)NCC12CC[NH+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000822530271 945030362 /nfs/dbraw/zinc/03/03/62/945030362.db2.gz WCCOGEGLLPVMLC-UHFFFAOYSA-N 2 0 357.502 1.428 20 10 FDCDRP COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716001 971687818 /nfs/dbraw/zinc/68/78/18/971687818.db2.gz OIUNKCPJGZKSNU-SFHVURJKSA-N 2 0 363.527 1.919 20 10 FDCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001177725034 963938861 /nfs/dbraw/zinc/93/88/61/963938861.db2.gz ZMMMVBLOGLDMBH-FQEVSTJZSA-N 3 0 373.589 1.802 20 10 FDCDRP CN(C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000852865796 967671658 /nfs/dbraw/zinc/67/16/58/967671658.db2.gz PMBOVSKFWKGLBH-AWEZNQCLSA-N 2 0 357.458 1.704 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCC3(CS(C)(=O)=O)CC3)cc2)CC1 ZINC000850345364 978328042 /nfs/dbraw/zinc/32/80/42/978328042.db2.gz WUHBENJRYBUDAJ-UHFFFAOYSA-N 2 0 365.543 1.743 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CCCS3(=O)=O)cc2)CC1 ZINC000883297906 982056237 /nfs/dbraw/zinc/05/62/37/982056237.db2.gz CMOLDMJPARJQST-GOSISDBHSA-N 2 0 351.516 1.495 20 10 FDCDRP C[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[N@H+](C)C1CC1 ZINC000883332533 982076263 /nfs/dbraw/zinc/07/62/63/982076263.db2.gz XASZQSHITRKZQN-INIZCTEOSA-N 2 0 359.518 1.720 20 10 FDCDRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507075 992672265 /nfs/dbraw/zinc/67/22/65/992672265.db2.gz VFMLPBAELIULMB-MSOLQXFVSA-N 2 0 370.501 1.612 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CCO)(CCO)CC3)cc2)CC1 ZINC000877690756 993445790 /nfs/dbraw/zinc/44/57/90/993445790.db2.gz GXAXWKIGHUTEBX-UHFFFAOYSA-N 2 0 361.530 1.785 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCN[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000925517158 995636740 /nfs/dbraw/zinc/63/67/40/995636740.db2.gz FTODYMSJYMKHHJ-LJQVGOIWSA-N 2 0 370.541 1.793 20 10 FDCDRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000925810475 995786567 /nfs/dbraw/zinc/78/65/67/995786567.db2.gz ODFGXFGRUPAKSV-OAHLLOKOSA-N 2 0 350.482 1.736 20 10 FDCDRP COc1ccc(N2CCN(C(=O)CN(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843276 524281587 /nfs/dbraw/zinc/28/15/87/524281587.db2.gz NKTSHIXYDLXANL-HKUYNNGSSA-N 2 0 374.529 1.758 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)cc2)CC1 ZINC000892939399 791804544 /nfs/dbraw/zinc/80/45/44/791804544.db2.gz JOACEMBASKTZHH-UYAOXDASSA-N 2 0 357.502 1.522 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000892939607 791813039 /nfs/dbraw/zinc/81/30/39/791813039.db2.gz MQTJWSJZGXIBCY-FQEVSTJZSA-N 2 0 357.502 1.333 20 10 FDCDRP COc1ccc(N2CCC([NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000128057940 843126050 /nfs/dbraw/zinc/12/60/50/843126050.db2.gz FJQITBYTFAWLMG-KRWDZBQOSA-N 2 0 374.529 1.841 20 10 FDCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[NH+](C)CCO)C1 ZINC000899737479 846638261 /nfs/dbraw/zinc/63/82/61/846638261.db2.gz IUUKXZHENYOLSR-UHFFFAOYSA-N 2 0 372.513 1.448 20 10 FDCDRP Cc1cc(Br)cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1O ZINC000843045364 909366047 /nfs/dbraw/zinc/36/60/47/909366047.db2.gz VNMBLWGGGMCYHY-UHFFFAOYSA-N 2 0 356.264 1.327 20 10 FDCDRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CO1 ZINC001169323132 928422321 /nfs/dbraw/zinc/42/23/21/928422321.db2.gz XMFDTMQJCIYTFG-IEBWSBKVSA-N 2 0 361.486 1.639 20 10 FDCDRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CO1 ZINC001169323131 928422520 /nfs/dbraw/zinc/42/25/20/928422520.db2.gz XMFDTMQJCIYTFG-HKUYNNGSSA-N 2 0 361.486 1.639 20 10 FDCDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809741165 940893457 /nfs/dbraw/zinc/89/34/57/940893457.db2.gz LHVYLRTVNDXPRC-UHFFFAOYSA-N 2 0 352.498 1.588 20 10 FDCDRP C[N@H+](C[C@@H](O)CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200322 943473151 /nfs/dbraw/zinc/47/31/51/943473151.db2.gz NQCRMUXGHHLWRI-QFIPXVFZSA-N 2 0 372.557 1.763 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4cccnn4)CC3)cc2)CC1 ZINC000775672633 971266090 /nfs/dbraw/zinc/26/60/90/971266090.db2.gz MDPGEVFKDYQMNQ-UHFFFAOYSA-N 2 0 352.486 1.551 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(N4CCCNC4=O)CC3)cc2)CC1 ZINC000775720914 971717140 /nfs/dbraw/zinc/71/71/40/971717140.db2.gz PPLZVOXWAPSVAH-UHFFFAOYSA-N 2 0 371.529 1.818 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)cc2)CC1 ZINC000775738383 971884407 /nfs/dbraw/zinc/88/44/07/971884407.db2.gz CRBQLZAAPQTKGX-IBGZPJMESA-N 2 0 354.502 1.942 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000883149182 981981215 /nfs/dbraw/zinc/98/12/15/981981215.db2.gz UADWGVDNTNJCQB-PMACEKPBSA-N 2 0 371.529 1.864 20 10 FDCDRP CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883779011 982464033 /nfs/dbraw/zinc/46/40/33/982464033.db2.gz MQRLBQBGDOMMNS-SFHVURJKSA-N 2 0 359.518 1.722 20 10 FDCDRP C[NH2+]CCOc1ccccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010403 982699686 /nfs/dbraw/zinc/69/96/86/982699686.db2.gz BTFUMJUAWPRJBT-GOSISDBHSA-N 2 0 356.470 1.781 20 10 FDCDRP COc1cc(O)c(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1OC ZINC000872636399 987890506 /nfs/dbraw/zinc/89/05/06/987890506.db2.gz MHZOTURYORLHBA-HZPDHXFCSA-N 2 0 351.491 1.581 20 10 FDCDRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507077 992672621 /nfs/dbraw/zinc/67/26/21/992672621.db2.gz VFMLPBAELIULMB-ROUUACIJSA-N 2 0 370.501 1.612 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C3=CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000876779463 992904142 /nfs/dbraw/zinc/90/41/42/992904142.db2.gz FYSKBSCXAVVDNV-QGZVFWFLSA-N 2 0 358.486 1.371 20 10 FDCDRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876929426 992971504 /nfs/dbraw/zinc/97/15/04/992971504.db2.gz WQHFJLCWTRNMRT-UHFFFAOYSA-N 2 0 360.546 1.765 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@]3(OC)CCOC3)cc2F)CC1 ZINC000877012118 993008695 /nfs/dbraw/zinc/00/86/95/993008695.db2.gz OFRVCLKTNIMMJC-IBGZPJMESA-N 2 0 351.466 1.863 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)cc2)CC1 ZINC000925762349 995755571 /nfs/dbraw/zinc/75/55/71/995755571.db2.gz JDMDIZNODPFAHC-NJDAHSKKSA-N 2 0 358.530 1.685 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC4(CC3)NC(=O)NC4=O)cc2)CC1 ZINC000796516460 1017485151 /nfs/dbraw/zinc/48/51/51/1017485151.db2.gz VIBXNJUOUUFRGK-UHFFFAOYSA-N 2 0 371.485 1.049 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2F)CC1 ZINC000891529158 778223825 /nfs/dbraw/zinc/22/38/25/778223825.db2.gz UXAAXOFGCATXAH-GDBMZVCRSA-N 2 0 363.481 1.599 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000892059630 781405587 /nfs/dbraw/zinc/40/55/87/781405587.db2.gz GPERVIRYTQALAV-HXUWFJFHSA-N 2 0 359.518 1.627 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCS(=O)CC3)cc2F)CC1 ZINC000892905405 791631954 /nfs/dbraw/zinc/63/19/54/791631954.db2.gz KDUULCAGUQSBJT-UHFFFAOYSA-N 2 0 353.507 1.968 20 10 FDCDRP CCN(CC)c1ccc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000178908022 816444651 /nfs/dbraw/zinc/44/46/51/816444651.db2.gz IFDNWKDKZNZLHA-LJQANCHMSA-N 2 0 374.529 1.556 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCNC(=O)O4)CC3)cc2)CC1 ZINC000897012788 826763512 /nfs/dbraw/zinc/76/35/12/826763512.db2.gz JRMYKMQJNVJEMT-UHFFFAOYSA-N 2 0 358.486 1.903 20 10 FDCDRP Cn1cc([C@]2(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)CCCO2)cn1 ZINC000898056431 840727143 /nfs/dbraw/zinc/72/71/43/840727143.db2.gz HGXZQCMUIOBPCR-OAQYLSRUSA-N 2 0 369.513 1.967 20 10 FDCDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 ZINC000765978852 874170456 /nfs/dbraw/zinc/17/04/56/874170456.db2.gz QEMKPPORDCCCPF-LPHOPBHVSA-N 2 0 365.543 1.741 20 10 FDCDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)C1 ZINC000765978854 874171556 /nfs/dbraw/zinc/17/15/56/874171556.db2.gz QEMKPPORDCCCPF-VQIMIIECSA-N 2 0 365.543 1.741 20 10 FDCDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817893223 943067601 /nfs/dbraw/zinc/06/76/01/943067601.db2.gz QOSGVMFNIDSGDC-MAUKXSAKSA-N 2 0 351.516 1.399 20 10 FDCDRP C[NH2+]CC1CC[NH+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000844219998 947849513 /nfs/dbraw/zinc/84/95/13/947849513.db2.gz QELHHNPMHOXYLZ-UHFFFAOYSA-N 2 0 360.502 1.275 20 10 FDCDRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775687697 971496979 /nfs/dbraw/zinc/49/69/79/971496979.db2.gz GLBPZAQSCDRCLS-UHFFFAOYSA-N 3 0 360.546 1.981 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)cc2)CC1 ZINC000775719746 971709801 /nfs/dbraw/zinc/70/98/01/971709801.db2.gz YBXDONCEVLSRFK-HXUWFJFHSA-N 2 0 358.530 1.593 20 10 FDCDRP C[NH2+]C[C@H](C)NC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000851654714 978985855 /nfs/dbraw/zinc/98/58/55/978985855.db2.gz HZFUKGYWKXNPKT-INIZCTEOSA-N 2 0 363.506 1.114 20 10 FDCDRP C[N@H+](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCSC1 ZINC000881851902 980214000 /nfs/dbraw/zinc/21/40/00/980214000.db2.gz DBDDVEVJKJSHNV-SFHVURJKSA-N 2 0 362.543 1.492 20 10 FDCDRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876505954 992671314 /nfs/dbraw/zinc/67/13/14/992671314.db2.gz DFCQULFKAWZJNB-RTBURBONSA-N 2 0 356.470 1.447 20 10 FDCDRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507076 992672407 /nfs/dbraw/zinc/67/24/07/992672407.db2.gz VFMLPBAELIULMB-QZTJIDSGSA-N 2 0 370.501 1.612 20 10 FDCDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000925777965 995764172 /nfs/dbraw/zinc/76/41/72/995764172.db2.gz RZVFPHOBMSJTIE-GBESFXJTSA-N 2 0 356.514 1.866 20 10 FDCDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926872261 996351674 /nfs/dbraw/zinc/35/16/74/996351674.db2.gz CISVBMVAXQKGRR-UFRUDQCGSA-N 2 0 356.514 1.818 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000269268143 999466653 /nfs/dbraw/zinc/46/66/53/999466653.db2.gz QKRBFXBFQHHZTM-IRXDYDNUSA-N 2 0 360.502 1.451 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000269268139 999466674 /nfs/dbraw/zinc/46/66/74/999466674.db2.gz QKRBFXBFQHHZTM-IAGOWNOFSA-N 2 0 360.502 1.451 20 10 FDCDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000363888614 537356391 /nfs/dbraw/zinc/35/63/91/537356391.db2.gz NQOGBVAHBRZYBD-UHFFFAOYSA-N 2 0 361.486 1.970 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNc3ccnc(N4CC[NH2+]CC4)n3)cc2)CC1 ZINC001167422891 774566218 /nfs/dbraw/zinc/56/62/18/774566218.db2.gz GENDRGCFEFBLKT-UHFFFAOYSA-N 2 0 367.501 1.250 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[C@H](C[NH3+])CC3)cc2)CC1 ZINC000892430169 783822932 /nfs/dbraw/zinc/82/29/32/783822932.db2.gz DNLZHUKMTCZPLW-SAABIXHNSA-N 2 0 359.518 1.755 20 10 FDCDRP C[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000892939401 791804812 /nfs/dbraw/zinc/80/48/12/791804812.db2.gz JOISRSPHPHXRGQ-FUHWJXTLSA-N 2 0 359.518 1.565 20 10 FDCDRP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)CC1 ZINC000378350684 793985734 /nfs/dbraw/zinc/98/57/34/793985734.db2.gz PAAQGIAFPQPUBW-GOSISDBHSA-N 2 0 355.482 1.994 20 10 FDCDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000894780568 818442446 /nfs/dbraw/zinc/44/24/46/818442446.db2.gz GKMCZWWKTVROAR-UHFFFAOYSA-N 2 0 351.491 1.915 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)[NH+](C)C)cc1 ZINC000899095359 845755534 /nfs/dbraw/zinc/75/55/34/845755534.db2.gz IFXQIOGNAKMAPW-WDSOQIARSA-N 2 0 359.518 1.701 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCN3C3CCOCC3)cc2)CC1 ZINC000922954245 887357574 /nfs/dbraw/zinc/35/75/74/887357574.db2.gz PMTSHWUIFQEVTJ-OAQYLSRUSA-N 2 0 358.530 1.781 20 10 FDCDRP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923449366 889299881 /nfs/dbraw/zinc/29/98/81/889299881.db2.gz NESRKRNQFVVZES-IBGZPJMESA-N 2 0 374.529 1.541 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923449197 889300364 /nfs/dbraw/zinc/30/03/64/889300364.db2.gz LIIBQMALRKPOLT-GOSISDBHSA-N 2 0 360.502 1.199 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[NH+]3CCC(C[NH+](C)C)CC3)CC2)cc1 ZINC000727932185 912095189 /nfs/dbraw/zinc/09/51/89/912095189.db2.gz XSMUFLRNVPVSMR-UHFFFAOYSA-N 2 0 374.529 1.617 20 10 FDCDRP [NH3+]CC1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000817892368 943066875 /nfs/dbraw/zinc/06/68/75/943066875.db2.gz MNBAPJUPCCJFGK-UHFFFAOYSA-N 2 0 351.516 1.529 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2F)CC1 ZINC000817902514 943071140 /nfs/dbraw/zinc/07/11/40/943071140.db2.gz SAOSZBUIVZIHFJ-SZVBFZGTSA-N 3 0 364.509 1.810 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000775676133 971356683 /nfs/dbraw/zinc/35/66/83/971356683.db2.gz MGDROGNFBDOZKA-LEWJYISDSA-N 2 0 358.530 1.469 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)cc2)CC1 ZINC000775738384 971884532 /nfs/dbraw/zinc/88/45/32/971884532.db2.gz CRBQLZAAPQTKGX-LJQANCHMSA-N 2 0 354.502 1.942 20 10 FDCDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774959534 964241166 /nfs/dbraw/zinc/24/11/66/964241166.db2.gz DMQCNUGCLICYAJ-CYBMUJFWSA-N 2 0 352.435 1.425 20 10 FDCDRP C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[N@@H+]1C1CC1 ZINC000883505242 982225058 /nfs/dbraw/zinc/22/50/58/982225058.db2.gz YVZTTWZWVPGTNW-WMZOPIPTSA-N 2 0 371.529 1.863 20 10 FDCDRP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872255345 987547556 /nfs/dbraw/zinc/54/75/56/987547556.db2.gz CIEYCXDIYWLEDO-HNJZAVPNSA-N 2 0 356.470 1.633 20 10 FDCDRP Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Cl)c1 ZINC000872257531 987552028 /nfs/dbraw/zinc/55/20/28/987552028.db2.gz SJRCDBCXHSHHMW-XFJVYGCCSA-N 2 0 351.834 1.721 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2F)CC1 ZINC000874439810 990282111 /nfs/dbraw/zinc/28/21/11/990282111.db2.gz NBJIAXFUANDTQN-UHFFFAOYSA-N 2 0 362.493 1.926 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C3=CC[C@H]([NH3+])C3)CC2)cc1 ZINC000876779462 992904393 /nfs/dbraw/zinc/90/43/93/992904393.db2.gz FYSKBSCXAVVDNV-KRWDZBQOSA-N 2 0 358.486 1.371 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@]3(OC)CCOC3)cc2F)CC1 ZINC000877012119 993008397 /nfs/dbraw/zinc/00/83/97/993008397.db2.gz OFRVCLKTNIMMJC-LJQANCHMSA-N 2 0 351.466 1.863 20 10 FDCDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000925777967 995763818 /nfs/dbraw/zinc/76/38/18/995763818.db2.gz RZVFPHOBMSJTIE-IPMKNSEASA-N 2 0 356.514 1.866 20 10 FDCDRP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665892 998516473 /nfs/dbraw/zinc/51/64/73/998516473.db2.gz AIJZFPZXBUQDON-UHFFFAOYSA-N 2 0 361.534 1.920 20 10 FDCDRP COc1cccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1O ZINC000123855254 524846600 /nfs/dbraw/zinc/84/66/00/524846600.db2.gz QUKRDOVLVQDZOD-UHFFFAOYSA-N 2 0 357.454 1.982 20 10 FDCDRP CC[N@H+](C)CCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106547400 525753111 /nfs/dbraw/zinc/75/31/11/525753111.db2.gz VDGHETSQTMXSDI-UHFFFAOYSA-N 2 0 365.497 1.719 20 10 FDCDRP CCC[C@@](C)([NH3+])C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000269313260 537019258 /nfs/dbraw/zinc/01/92/58/537019258.db2.gz XUEYNGMFXJQDRG-HXUWFJFHSA-N 2 0 362.518 1.841 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(=O)[nH]n3)cc2F)CC1 ZINC000285506351 537722475 /nfs/dbraw/zinc/72/24/75/537722475.db2.gz AKUCEQIYAAFHML-CQSZACIVSA-N 2 0 359.449 1.902 20 10 FDCDRP [NH3+]CC1(N(Cc2ccccc2)c2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)COC1 ZINC001167374544 773981205 /nfs/dbraw/zinc/98/12/05/773981205.db2.gz KOOMITOTMKLJDC-UHFFFAOYSA-N 2 0 354.410 1.932 20 10 FDCDRP CC[NH+]1CCN(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891252444 774136134 /nfs/dbraw/zinc/13/61/34/774136134.db2.gz LSAPAQLWYXTXGW-IBGZPJMESA-N 2 0 361.534 1.109 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000731893442 918756409 /nfs/dbraw/zinc/75/64/09/918756409.db2.gz KXZAUFGUURQXSE-HXUWFJFHSA-N 2 0 374.529 1.808 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)CC[NH3+])cc2F)CC1 ZINC000817875967 943058336 /nfs/dbraw/zinc/05/83/36/943058336.db2.gz DOZQGUMBVJKIHO-UHFFFAOYSA-N 2 0 365.497 1.894 20 10 FDCDRP C[C@H]([NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1C[NH2+]C1 ZINC000817894664 943068526 /nfs/dbraw/zinc/06/85/26/943068526.db2.gz PIIOJIMKOGGQIH-HNNXBMFYSA-N 2 0 370.476 1.640 20 10 FDCDRP COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000846674918 951438988 /nfs/dbraw/zinc/43/89/88/951438988.db2.gz YBQQFUGLSHIULW-QGZVFWFLSA-N 2 0 360.502 1.323 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)cc2F)CC1 ZINC000847454634 975646827 /nfs/dbraw/zinc/64/68/27/975646827.db2.gz LLSNNAHFPYYVLR-MRXNPFEDSA-N 2 0 362.493 1.926 20 10 FDCDRP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000851658931 978987298 /nfs/dbraw/zinc/98/72/98/978987298.db2.gz LWRNMGFKEXOAQT-MRXNPFEDSA-N 2 0 359.518 1.626 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)cc1 ZINC000872286764 987572970 /nfs/dbraw/zinc/57/29/70/987572970.db2.gz QSDNXCWFMNRRDK-WWMYMODYSA-N 2 0 372.513 1.451 20 10 FDCDRP COc1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873047089 988475770 /nfs/dbraw/zinc/47/57/70/988475770.db2.gz RVHSWKZHFOXSHW-KRWDZBQOSA-N 2 0 357.502 1.666 20 10 FDCDRP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931484964 1004202527 /nfs/dbraw/zinc/20/25/27/1004202527.db2.gz WEVQDMCNXOLWOT-UHFFFAOYSA-N 2 0 362.518 1.100 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000279924049 537359776 /nfs/dbraw/zinc/35/97/76/537359776.db2.gz OKQICTVCCINWGQ-ROUUACIJSA-N 2 0 374.529 1.712 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)cc2F)CC1 ZINC000372105723 677843047 /nfs/dbraw/zinc/84/30/47/677843047.db2.gz PRCCXUZHMRCFME-GOSISDBHSA-N 2 0 352.429 1.285 20 10 FDCDRP COc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(O)c1OC ZINC000891832713 779637839 /nfs/dbraw/zinc/63/78/39/779637839.db2.gz BUMGJFUSYMIGDE-UHFFFAOYSA-N 2 0 365.474 1.299 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[NH2+]CCC34CCC4)cc2)CC1 ZINC000892939796 791815307 /nfs/dbraw/zinc/81/53/07/791815307.db2.gz OXMLPZZSUCQDHS-UHFFFAOYSA-N 2 0 371.529 1.866 20 10 FDCDRP COC(=O)CN1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000895608099 822670647 /nfs/dbraw/zinc/67/06/47/822670647.db2.gz XFUNEXZCJCVSTP-UHFFFAOYSA-N 2 0 360.502 1.165 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=S)NCCC[NH+](C)C)[NH+](C)C)cc1 ZINC000899724026 846625584 /nfs/dbraw/zinc/62/55/84/846625584.db2.gz IVBCKRNYXMNMDW-QGZVFWFLSA-N 2 0 351.564 1.771 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300381 888788566 /nfs/dbraw/zinc/78/85/66/888788566.db2.gz QSCXMBWBNYBLIK-QUCCMNQESA-N 2 0 364.534 1.141 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN(C3CC3)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000923329670 888892764 /nfs/dbraw/zinc/89/27/64/888892764.db2.gz NOCYWIKEWNPRMC-UXHICEINSA-N 2 0 374.529 1.004 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C[C@H]3COCCN3)cc2F)CC1 ZINC000817902078 943071775 /nfs/dbraw/zinc/07/17/75/943071775.db2.gz HSZUHTCURAWRQL-WMZOPIPTSA-N 2 0 364.509 1.824 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC000844222750 947854888 /nfs/dbraw/zinc/85/48/88/947854888.db2.gz KRZSCRUMDHLIDW-UHFFFAOYSA-N 2 0 372.513 1.419 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)CC2)cc1 ZINC000844225278 947861665 /nfs/dbraw/zinc/86/16/65/947861665.db2.gz MOCVGHJVNJSAAQ-HDICACEKSA-N 2 0 372.513 1.275 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000846227492 950746028 /nfs/dbraw/zinc/74/60/28/950746028.db2.gz SUAQBRUIZMPAGI-SXLOBPIMSA-N 2 0 374.529 1.730 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN(CCS(C)(=O)=O)C3CC3)cc2)CC1 ZINC000775728231 971793086 /nfs/dbraw/zinc/79/30/86/971793086.db2.gz QSTYLUNFUDRLKX-UHFFFAOYSA-N 2 0 351.516 1.447 20 10 FDCDRP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000853249148 967943904 /nfs/dbraw/zinc/94/39/04/967943904.db2.gz NTLOBOBPNHCFRO-OAHLLOKOSA-N 2 0 371.485 1.913 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCN(C4CCOCC4)C3=O)cc2)CC1 ZINC000865675784 974416252 /nfs/dbraw/zinc/41/62/52/974416252.db2.gz DNXPUPFAYFQCPV-FQEVSTJZSA-N 2 0 372.513 1.308 20 10 FDCDRP C[C@@H]1CN(C(=[NH2+])NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCO1 ZINC000849095802 977313291 /nfs/dbraw/zinc/31/32/91/977313291.db2.gz NYIZIPDIXXJOBQ-QGZVFWFLSA-N 2 0 371.529 1.964 20 10 FDCDRP C[NH2+]CCOc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000884010416 982699795 /nfs/dbraw/zinc/69/97/95/982699795.db2.gz BVJVLMUFMVYYMG-IBGZPJMESA-N 2 0 356.470 1.781 20 10 FDCDRP C[N@H+](CCN1CC2(C1)CCOCC2)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000877765742 993502471 /nfs/dbraw/zinc/50/24/71/993502471.db2.gz HABBFJZZERCOPT-UHFFFAOYSA-N 2 0 372.557 1.983 20 10 FDCDRP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CC[NH+](C)CC1 ZINC000127815931 994978528 /nfs/dbraw/zinc/97/85/28/994978528.db2.gz ZVAJMHXGUXFECI-IAGOWNOFSA-N 2 0 364.509 1.949 20 10 FDCDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000925777966 995764276 /nfs/dbraw/zinc/76/42/76/995764276.db2.gz RZVFPHOBMSJTIE-GUDVDZBRSA-N 2 0 356.514 1.866 20 10 FDCDRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666384 998516285 /nfs/dbraw/zinc/51/62/85/998516285.db2.gz LFAKOHHKXMKJJV-YLJYHZDGSA-N 2 0 373.545 1.920 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000892188766 782076671 /nfs/dbraw/zinc/07/66/71/782076671.db2.gz SVYOATOVVLVMHT-IPMKNSEASA-N 2 0 371.529 1.626 20 10 FDCDRP COc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1O ZINC000184684508 536176141 /nfs/dbraw/zinc/17/61/41/536176141.db2.gz QYAKEUCYCIJPDG-UHFFFAOYSA-N 2 0 369.893 1.944 20 10 FDCDRP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000120351042 770091952 /nfs/dbraw/zinc/09/19/52/770091952.db2.gz JNUBMBGQZNLSDX-FQEVSTJZSA-N 2 0 356.514 1.929 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3C4CCC3(C[NH3+])CC4)cc2)CC1 ZINC000892452616 784432705 /nfs/dbraw/zinc/43/27/05/784432705.db2.gz ROCYWMIQXBMVQH-UHFFFAOYSA-N 2 0 357.502 1.604 20 10 FDCDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892563987 787319791 /nfs/dbraw/zinc/31/97/91/787319791.db2.gz YYIMANHVAUSTFD-UHFFFAOYSA-N 2 0 351.491 1.917 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)cc2)CC1 ZINC000892940141 791819712 /nfs/dbraw/zinc/81/97/12/791819712.db2.gz RWJNVNDKBYNRPW-OALUTQOASA-N 2 0 357.502 1.474 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000893018954 792495099 /nfs/dbraw/zinc/49/50/99/792495099.db2.gz OHNBMTNGMLTCAC-APWZRJJASA-N 2 0 359.518 1.891 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3ccc(F)cc3)C(N)=O)cc2)CC1 ZINC000905788145 852290138 /nfs/dbraw/zinc/29/01/38/852290138.db2.gz IIBQMMSMFMYRIQ-HXUWFJFHSA-N 2 0 370.472 1.764 20 10 FDCDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 ZINC000765978853 874171497 /nfs/dbraw/zinc/17/14/97/874171497.db2.gz QEMKPPORDCCCPF-QFBILLFUSA-N 2 0 365.543 1.741 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000808427176 940544695 /nfs/dbraw/zinc/54/46/95/940544695.db2.gz LDTANYXQBYDJGK-KRWDZBQOSA-N 2 0 351.516 1.353 20 10 FDCDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817893221 943067759 /nfs/dbraw/zinc/06/77/59/943067759.db2.gz QOSGVMFNIDSGDC-CRAIPNDOSA-N 2 0 351.516 1.399 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000844190529 947826216 /nfs/dbraw/zinc/82/62/16/947826216.db2.gz AYKDJYSUPFMXGL-FPOVZHCZSA-N 2 0 372.513 1.323 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CC[NH2+]C(C)C)CC2)cc1 ZINC000844191269 947830220 /nfs/dbraw/zinc/83/02/20/947830220.db2.gz KCFDKFUXCGBNJE-UHFFFAOYSA-N 2 0 362.518 1.712 20 10 FDCDRP CN(CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC[NH+](C)C ZINC000857784015 981688567 /nfs/dbraw/zinc/68/85/67/981688567.db2.gz NIWCUZKFSKRVMF-UHFFFAOYSA-N 2 0 352.498 1.635 20 10 FDCDRP C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000861615388 983792762 /nfs/dbraw/zinc/79/27/62/983792762.db2.gz MCCTWSJOZQZVEL-INIZCTEOSA-N 2 0 359.518 1.707 20 10 FDCDRP CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000872206271 987514838 /nfs/dbraw/zinc/51/48/38/987514838.db2.gz WJOANFCRZVADSY-HXUWFJFHSA-N 2 0 361.530 1.830 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000873844676 989311093 /nfs/dbraw/zinc/31/10/93/989311093.db2.gz NXKDWUTYUUCVTE-SFHVURJKSA-N 2 0 374.529 1.665 20 10 FDCDRP COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779144104 1007436826 /nfs/dbraw/zinc/43/68/26/1007436826.db2.gz MJAJZJJYSXTGKS-RBUKOAKNSA-N 2 0 361.486 1.591 20 10 FDCDRP CN1CCN(C(=O)CC[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000283676022 537387141 /nfs/dbraw/zinc/38/71/41/537387141.db2.gz VOZSHOWMFZKREY-UHFFFAOYSA-N 2 0 360.502 1.119 20 10 FDCDRP CCOC(=O)c1cnn2c1[nH]c(CN(C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)cc2=O ZINC000285592225 537734889 /nfs/dbraw/zinc/73/48/89/537734889.db2.gz URANNEMFIDEOAI-YIONKMFJSA-N 2 0 373.457 1.669 20 10 FDCDRP C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705040 538091042 /nfs/dbraw/zinc/09/10/42/538091042.db2.gz DHZVAZTXGZNNJS-SIKLNZKXSA-N 2 0 372.557 1.981 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[NH+](C)C)cc1 ZINC000891249616 774109910 /nfs/dbraw/zinc/10/99/10/774109910.db2.gz RQIOYPWXSVIYNH-LJQANCHMSA-N 2 0 372.517 1.543 20 10 FDCDRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892938853 791799954 /nfs/dbraw/zinc/79/99/54/791799954.db2.gz FMDQOJMVPGBGDN-LJQANCHMSA-N 2 0 359.518 1.722 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=S)NC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000899724711 846626630 /nfs/dbraw/zinc/62/66/30/846626630.db2.gz OVSBXFDXCYUTKW-SFHVURJKSA-N 2 0 363.575 1.914 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000911667695 858880785 /nfs/dbraw/zinc/88/07/85/858880785.db2.gz QOKVPBNJWUMJTE-GOSISDBHSA-N 2 0 354.454 1.664 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN(C3CC3)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000923329671 888893420 /nfs/dbraw/zinc/89/34/20/888893420.db2.gz NOCYWIKEWNPRMC-VQTJNVASSA-N 2 0 374.529 1.004 20 10 FDCDRP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381150 889058843 /nfs/dbraw/zinc/05/88/43/889058843.db2.gz RRQAZZAPKOGRMW-AZUAARDMSA-N 2 0 371.529 1.781 20 10 FDCDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817893225 943067822 /nfs/dbraw/zinc/06/78/22/943067822.db2.gz QOSGVMFNIDSGDC-QAPCUYQASA-N 2 0 351.516 1.399 20 10 FDCDRP CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000819034218 943409654 /nfs/dbraw/zinc/40/96/54/943409654.db2.gz XEQYJTSTWFANCT-KRWDZBQOSA-N 2 0 353.482 1.845 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000844225392 947861520 /nfs/dbraw/zinc/86/15/20/947861520.db2.gz PJOAYCHJZNTMSV-QUCCMNQESA-N 2 0 360.502 1.197 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](n4ncnn4)C3)cc2)CC1 ZINC001173736043 962603746 /nfs/dbraw/zinc/60/37/46/962603746.db2.gz XOVAYFYHPOUKIO-PKOBYXMFSA-N 2 0 355.490 1.698 20 10 FDCDRP Oc1cc2c(cc1C[NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)OCO2 ZINC000850357875 978333991 /nfs/dbraw/zinc/33/39/91/978333991.db2.gz WZJCVXILDACPMZ-QGZVFWFLSA-N 2 0 356.422 1.977 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2)CC1 ZINC000883436351 982143421 /nfs/dbraw/zinc/14/34/21/982143421.db2.gz QOIPSEGETROYKD-IBGZPJMESA-N 2 0 371.529 1.722 20 10 FDCDRP COCC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1CC[NH+](C)CC1 ZINC000872632023 987885951 /nfs/dbraw/zinc/88/59/51/987885951.db2.gz RDUBQGOBCPLFQL-SFHVURJKSA-N 2 0 350.459 1.608 20 10 FDCDRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876505951 992671164 /nfs/dbraw/zinc/67/11/64/992671164.db2.gz DFCQULFKAWZJNB-MOPGFXCFSA-N 2 0 356.470 1.447 20 10 FDCDRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877022107 993016347 /nfs/dbraw/zinc/01/63/47/993016347.db2.gz PCCRQWKNZBYUGH-GOSISDBHSA-N 2 0 374.529 1.325 20 10 FDCDRP O=C1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCCN1 ZINC000877120554 993058641 /nfs/dbraw/zinc/05/86/41/993058641.db2.gz HUGGESMWNAUILO-IBGZPJMESA-N 2 0 356.514 1.977 20 10 FDCDRP C[NH+](C)C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH+](C)C ZINC000877669382 993428429 /nfs/dbraw/zinc/42/84/29/993428429.db2.gz GVIVHPLSXDFNEE-NHCUHLMSSA-N 3 0 373.589 1.610 20 10 FDCDRP Cn1nnnc1C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000877781196 993509193 /nfs/dbraw/zinc/50/91/93/993509193.db2.gz VHNKVJMSNZYOTQ-UHFFFAOYSA-N 2 0 355.490 1.342 20 10 FDCDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925486827 995626307 /nfs/dbraw/zinc/62/63/07/995626307.db2.gz KDRXEIRASFPQMP-GIOYIUAESA-N 2 0 363.527 1.527 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000925764154 995756987 /nfs/dbraw/zinc/75/69/87/995756987.db2.gz XFWXFFYUBOKAPG-PWRODBHTSA-N 3 0 358.530 1.685 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNc3ncccc3N3CC[NH2+]CC3)cc2)CC1 ZINC001167426501 774584642 /nfs/dbraw/zinc/58/46/42/774584642.db2.gz GXGQNHRUIFMAJC-UHFFFAOYSA-N 3 0 366.513 1.855 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCC(=O)Nc3cccnc3)cc2)CC1 ZINC000905427882 851933617 /nfs/dbraw/zinc/93/36/17/851933617.db2.gz OYHLDRBCNYXDFF-UHFFFAOYSA-N 2 0 353.470 1.952 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnc(C3CC[NH2+]CC3)o2)cc1 ZINC000911667260 858880044 /nfs/dbraw/zinc/88/00/44/858880044.db2.gz PGAXSBPVWCWJKH-INIZCTEOSA-N 2 0 357.458 1.637 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000911667696 858880599 /nfs/dbraw/zinc/88/05/99/858880599.db2.gz QOKVPBNJWUMJTE-SFHVURJKSA-N 2 0 354.454 1.664 20 10 FDCDRP CC[C@@H](C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000158054482 863984911 /nfs/dbraw/zinc/98/49/11/863984911.db2.gz ZTKISICRYRCBHM-IBGZPJMESA-N 2 0 362.518 1.664 20 10 FDCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[N@@H+]1C ZINC000765978158 874033549 /nfs/dbraw/zinc/03/35/49/874033549.db2.gz LXHFSJPBLDTFIP-NVXWUHKLSA-N 2 0 351.516 1.494 20 10 FDCDRP COc1ccc(N2CCN(CC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CC2)cc1 ZINC000817893224 943067619 /nfs/dbraw/zinc/06/76/19/943067619.db2.gz FSTKCCVYFLOPDO-FFZOFVMBSA-N 2 0 362.518 1.159 20 10 FDCDRP CC1CCN(c2ccc(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000819038282 943410927 /nfs/dbraw/zinc/41/09/27/943410927.db2.gz CEBDLLHEIMOXFZ-OAQYLSRUSA-N 2 0 360.546 1.621 20 10 FDCDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCc3cc(C[NH3+])ccc32)C1 ZINC000844219984 947848333 /nfs/dbraw/zinc/84/83/33/947848333.db2.gz PRGWKDOSHJGESE-LJQANCHMSA-N 2 0 374.529 1.371 20 10 FDCDRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144509917 949789198 /nfs/dbraw/zinc/78/91/98/949789198.db2.gz NOYJYFRFOGNUAP-UHFFFAOYSA-N 2 0 373.453 1.128 20 10 FDCDRP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CS1(=O)=O ZINC000850368878 978341552 /nfs/dbraw/zinc/34/15/52/978341552.db2.gz GHFVDVYKANMNDR-DOTOQJQBSA-N 2 0 351.516 1.494 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc2)CC1 ZINC000776519886 978853505 /nfs/dbraw/zinc/85/35/05/978853505.db2.gz DAUQZXDGTUVULT-HXUWFJFHSA-N 2 0 363.502 1.621 20 10 FDCDRP COCC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CC[NH+](C)CC1 ZINC000872632022 987886481 /nfs/dbraw/zinc/88/64/81/987886481.db2.gz RDUBQGOBCPLFQL-GOSISDBHSA-N 2 0 350.459 1.608 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000363728261 989411533 /nfs/dbraw/zinc/41/15/33/989411533.db2.gz HTFPNCYONAKOQB-NXHRZFHOSA-N 2 0 360.477 1.772 20 10 FDCDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4COC[C@H]3C[C@@H]([NH3+])C4)cc2)CC1 ZINC000925778383 995764254 /nfs/dbraw/zinc/76/42/54/995764254.db2.gz VEPRMZQRRTXLJS-LAGDQHSMSA-N 2 0 372.513 1.230 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000270365061 999547003 /nfs/dbraw/zinc/54/70/03/999547003.db2.gz YUJDTXNQQFGZMH-GOSISDBHSA-N 2 0 374.529 1.713 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNc3cnc(O[C@@H]4CC[NH2+]C4)nc3)cc2)CC1 ZINC001167434507 774812738 /nfs/dbraw/zinc/81/27/38/774812738.db2.gz NHNCZRZGQRYZNY-LJQANCHMSA-N 2 0 368.485 1.581 20 10 FDCDRP COc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(O)c1OC ZINC000891611866 778532201 /nfs/dbraw/zinc/53/22/01/778532201.db2.gz XMJCRCLVMVWGND-UHFFFAOYSA-N 2 0 350.459 1.954 20 10 FDCDRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000891739675 779224613 /nfs/dbraw/zinc/22/46/13/779224613.db2.gz UNDBVQHKAMYDMS-LPHOPBHVSA-N 2 0 371.529 1.850 20 10 FDCDRP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1OC ZINC000892152349 781799068 /nfs/dbraw/zinc/79/90/68/781799068.db2.gz GSWVPSVSDQLSQY-WBVHZDCISA-N 2 0 363.502 1.867 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCCCC[C@H]([NH3+])C3)cc2)CC1 ZINC000892939445 791827516 /nfs/dbraw/zinc/82/75/16/791827516.db2.gz LBSHZJIRPOLWSV-SFHVURJKSA-N 2 0 359.518 1.851 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000895606984 822670156 /nfs/dbraw/zinc/67/01/56/822670156.db2.gz ISHXMUCBXHJFBZ-MJGOQNOKSA-N 2 0 365.543 1.884 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)COc3ccccc3)cc2)CC1 ZINC000905427218 851932738 /nfs/dbraw/zinc/93/27/38/851932738.db2.gz LMEJOHDNGPFSIU-HXUWFJFHSA-N 2 0 355.482 1.968 20 10 FDCDRP C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000923123718 888098848 /nfs/dbraw/zinc/09/88/48/888098848.db2.gz ZNGRXSZYGDPADV-JKSUJKDBSA-N 2 0 360.458 1.135 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCC[C@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC000923417407 889155383 /nfs/dbraw/zinc/15/53/83/889155383.db2.gz WXUHTLMZRPBETD-TYPHKJRUSA-N 2 0 374.529 1.004 20 10 FDCDRP CN(CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000809734643 940887884 /nfs/dbraw/zinc/88/78/84/940887884.db2.gz MMVXYDQAEPVPRQ-UHFFFAOYSA-N 3 0 373.589 1.896 20 10 FDCDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892216 943066723 /nfs/dbraw/zinc/06/67/23/943066723.db2.gz KRCXVIFKUXFBFQ-WMZOPIPTSA-N 2 0 351.516 1.529 20 10 FDCDRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000817939172 943088785 /nfs/dbraw/zinc/08/87/85/943088785.db2.gz ACOWWIIBAMKDQL-QAPCUYQASA-N 2 0 362.518 1.663 20 10 FDCDRP CCN(CC)c1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1F ZINC000819044436 943393305 /nfs/dbraw/zinc/39/33/05/943393305.db2.gz ZIKZRNFQDFFUHI-KRWDZBQOSA-N 2 0 352.498 1.370 20 10 FDCDRP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)S(C)(=O)=O ZINC000819200112 943471919 /nfs/dbraw/zinc/47/19/19/943471919.db2.gz JZIMYEHNUOKYSS-INIZCTEOSA-N 2 0 365.543 1.741 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)CC2)cc1 ZINC000844192044 947829492 /nfs/dbraw/zinc/82/94/92/947829492.db2.gz ZRMOBBZLPQWEEN-XLIONFOSSA-N 2 0 374.529 1.712 20 10 FDCDRP CC[C@H]1CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@@H]1[NH3+] ZINC000844222282 947855432 /nfs/dbraw/zinc/85/54/32/947855432.db2.gz CIHJWJPRGPLJMH-LPHOPBHVSA-N 2 0 360.502 1.403 20 10 FDCDRP CC[C@@H]1CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@@H]1[NH3+] ZINC000844222281 947855495 /nfs/dbraw/zinc/85/54/95/947855495.db2.gz CIHJWJPRGPLJMH-APWZRJJASA-N 2 0 360.502 1.403 20 10 FDCDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510463 949792436 /nfs/dbraw/zinc/79/24/36/949792436.db2.gz ZFPJXTMFCOASGZ-QRWLVFNGSA-N 2 0 362.470 1.984 20 10 FDCDRP C[C@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C[NH+]1CCCC1 ZINC000883154269 981984337 /nfs/dbraw/zinc/98/43/37/981984337.db2.gz DQBOIEKONDMIIM-GOSISDBHSA-N 2 0 373.545 1.970 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)cc2)CC1 ZINC000883289534 982047266 /nfs/dbraw/zinc/04/72/66/982047266.db2.gz RVKGTZGZMRQBOP-RBUKOAKNSA-N 2 0 365.543 1.884 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)CC1 ZINC000883289533 982047452 /nfs/dbraw/zinc/04/74/52/982047452.db2.gz RVKGTZGZMRQBOP-OALUTQOASA-N 2 0 365.543 1.884 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000299582058 988606069 /nfs/dbraw/zinc/60/60/69/988606069.db2.gz VGUZIZUALUVEHG-LJQANCHMSA-N 2 0 360.502 1.418 20 10 FDCDRP CCN1CCO[C@@H](CN2CC[NH+]([C@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631103 989686725 /nfs/dbraw/zinc/68/67/25/989686725.db2.gz ONOKGCYKIDEURV-SJLPKXTDSA-N 2 0 363.502 1.800 20 10 FDCDRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666381 998516523 /nfs/dbraw/zinc/51/65/23/998516523.db2.gz LFAKOHHKXMKJJV-FXAWDEMLSA-N 2 0 373.545 1.920 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)[NH+](C)C)cc1 ZINC000891245249 774078755 /nfs/dbraw/zinc/07/87/55/774078755.db2.gz BGLDGFRZZMKDBR-RBUKOAKNSA-N 2 0 360.502 1.192 20 10 FDCDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000825275573 947140439 /nfs/dbraw/zinc/14/04/39/947140439.db2.gz UQTHORYZFUEQHT-UHFFFAOYSA-N 3 0 373.589 1.944 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)cc2F)CC1 ZINC000844190818 947826737 /nfs/dbraw/zinc/82/67/37/947826737.db2.gz RCGQBPIJBPKSLA-QAPCUYQASA-N 2 0 362.493 1.972 20 10 FDCDRP CC[C@@]1(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000844192573 947831224 /nfs/dbraw/zinc/83/12/24/947831224.db2.gz ZAFJMLABHWANTO-NRFANRHFSA-N 2 0 374.529 1.856 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000844226257 947863722 /nfs/dbraw/zinc/86/37/22/947863722.db2.gz KTBZLQFVJFWEQU-PZJWPPBQSA-N 2 0 374.529 1.587 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)CC1 ZINC000775728796 971799370 /nfs/dbraw/zinc/79/93/70/971799370.db2.gz XFTBKKSONBFAAK-FQEVSTJZSA-N 2 0 358.530 1.593 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](C[C@H]4CCOC4)CC3)cc2)CC1 ZINC000775728797 971800761 /nfs/dbraw/zinc/80/07/61/971800761.db2.gz XFTBKKSONBFAAK-HXUWFJFHSA-N 2 0 358.530 1.593 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2F)CC1 ZINC000848414993 976723453 /nfs/dbraw/zinc/72/34/53/976723453.db2.gz GSLSHJFCHFAYAY-UWJYYQICSA-N 2 0 374.504 1.974 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000883149184 981980911 /nfs/dbraw/zinc/98/09/11/981980911.db2.gz UADWGVDNTNJCQB-VQTJNVASSA-N 2 0 371.529 1.864 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000883416276 982127575 /nfs/dbraw/zinc/12/75/75/982127575.db2.gz QOUVHNTUGBYFQZ-KRWDZBQOSA-N 2 0 357.502 1.474 20 10 FDCDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000925777964 995763660 /nfs/dbraw/zinc/76/36/60/995763660.db2.gz RZVFPHOBMSJTIE-CEXWTWQISA-N 2 0 356.514 1.866 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)cc1 ZINC000288732062 1000041699 /nfs/dbraw/zinc/04/16/99/1000041699.db2.gz LLHSCCGNMRBGRI-YLJYHZDGSA-N 2 0 374.529 1.712 20 10 FDCDRP COc1ccc(N2CCN(C(=O)CN(C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000172843272 524282003 /nfs/dbraw/zinc/28/20/03/524282003.db2.gz NKTSHIXYDLXANL-MJGOQNOKSA-N 2 0 374.529 1.758 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)COC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000891243141 774048514 /nfs/dbraw/zinc/04/85/14/774048514.db2.gz JCYVMKNRRSRBQM-LJQANCHMSA-N 2 0 362.518 1.582 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000892157287 781875851 /nfs/dbraw/zinc/87/58/51/781875851.db2.gz WYCPCRHHPFOAPV-MRXNPFEDSA-N 2 0 367.444 1.235 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000892901690 791599204 /nfs/dbraw/zinc/59/92/04/791599204.db2.gz BLAJHGRMZHMWIP-APWZRJJASA-N 2 0 361.534 1.996 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC(S(C)(=O)=O)C3)cc2F)CC1 ZINC000892904807 791628688 /nfs/dbraw/zinc/62/86/88/791628688.db2.gz DDHAAQHXSARNMZ-UHFFFAOYSA-N 2 0 369.506 1.633 20 10 FDCDRP C[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000892939402 791806324 /nfs/dbraw/zinc/80/63/24/791806324.db2.gz JOISRSPHPHXRGQ-SJLPKXTDSA-N 2 0 359.518 1.565 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCN3C[C@@H]4CCCCN4C3=O)cc2)CC1 ZINC000895344699 822510413 /nfs/dbraw/zinc/51/04/13/822510413.db2.gz WETGBJMFTCBODF-FQEVSTJZSA-N 2 0 371.529 1.818 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000895606980 822670216 /nfs/dbraw/zinc/67/02/16/822670216.db2.gz ISHXMUCBXHJFBZ-HKUYNNGSSA-N 2 0 365.543 1.884 20 10 FDCDRP COc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000840830315 827099919 /nfs/dbraw/zinc/09/99/19/827099919.db2.gz DFVAOYKQHFTAHM-MRXNPFEDSA-N 2 0 363.502 1.848 20 10 FDCDRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000904390590 851174256 /nfs/dbraw/zinc/17/42/56/851174256.db2.gz AWEDMWRTUZPAJF-QGZVFWFLSA-N 2 0 363.477 1.992 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)C34CCC[NH+](CCC3)C4)cc2)CC1 ZINC000918838562 884953616 /nfs/dbraw/zinc/95/36/16/884953616.db2.gz JEIURNZXLYXPLU-UHFFFAOYSA-N 2 0 356.514 1.931 20 10 FDCDRP C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(O)c(CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000923119194 888082546 /nfs/dbraw/zinc/08/25/46/888082546.db2.gz ZNGRXSZYGDPADV-HZPDHXFCSA-N 2 0 360.458 1.135 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C)CC2)cc1 ZINC000923370519 889028603 /nfs/dbraw/zinc/02/86/03/889028603.db2.gz PTNUJPJCTWQZAL-PKOBYXMFSA-N 2 0 364.534 1.141 20 10 FDCDRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000923376456 889045868 /nfs/dbraw/zinc/04/58/68/889045868.db2.gz XUZGVDSNZDNPKR-LJQANCHMSA-N 2 0 356.474 1.411 20 10 FDCDRP C[NH+](C)CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCCO1 ZINC000809737904 940893749 /nfs/dbraw/zinc/89/37/49/940893749.db2.gz OUMLGTKYPZJJOQ-OAQYLSRUSA-N 2 0 360.546 1.981 20 10 FDCDRP CN(CCC[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1)CC[NH+](C)C ZINC000809788500 940902168 /nfs/dbraw/zinc/90/21/68/940902168.db2.gz RYOWRULMGQMWPO-UHFFFAOYSA-N 2 0 366.525 1.978 20 10 FDCDRP COc1ccc(N2CCN(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CC2)cc1 ZINC000817893234 943067503 /nfs/dbraw/zinc/06/75/03/943067503.db2.gz FSTKCCVYFLOPDO-PWIZWCRZSA-N 2 0 362.518 1.159 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C=C3CC[NH2+]CC3)cc2F)CC1 ZINC000852872717 967678768 /nfs/dbraw/zinc/67/87/68/967678768.db2.gz KQFMYASIAKNKOY-UHFFFAOYSA-N 2 0 360.477 1.894 20 10 FDCDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000854230143 968701119 /nfs/dbraw/zinc/70/11/19/968701119.db2.gz HNDGHTUDEUDWNV-QHAWAJNXSA-N 2 0 359.514 1.894 20 10 FDCDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000105476202 974738701 /nfs/dbraw/zinc/73/87/01/974738701.db2.gz QHIOTWQBLOGBSJ-UHFFFAOYSA-N 2 0 364.509 1.780 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc2)CC1 ZINC000776519885 978853387 /nfs/dbraw/zinc/85/33/87/978853387.db2.gz DAUQZXDGTUVULT-FQEVSTJZSA-N 2 0 363.502 1.621 20 10 FDCDRP C[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C[NH+]1CCCC1 ZINC000883154270 981984322 /nfs/dbraw/zinc/98/43/22/981984322.db2.gz DQBOIEKONDMIIM-SFHVURJKSA-N 2 0 373.545 1.970 20 10 FDCDRP CCN(CC[NH3+])C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000861549980 983775342 /nfs/dbraw/zinc/77/53/42/983775342.db2.gz VRCRSNJQHVQXPH-UHFFFAOYSA-N 2 0 363.506 1.198 20 10 FDCDRP COc1ccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873044646 988472407 /nfs/dbraw/zinc/47/24/07/988472407.db2.gz UEIOZPGKQDUCGP-KRWDZBQOSA-N 2 0 357.502 1.666 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000364144691 989500768 /nfs/dbraw/zinc/50/07/68/989500768.db2.gz WJFBVPFJLRTDRB-DLBZAZTESA-N 2 0 360.477 1.726 20 10 FDCDRP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665185 998515073 /nfs/dbraw/zinc/51/50/73/998515073.db2.gz HVCAUDLVAORZSS-UHFFFAOYSA-N 2 0 361.534 1.922 20 10 FDCDRP COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779144105 1007437106 /nfs/dbraw/zinc/43/71/06/1007437106.db2.gz MJAJZJJYSXTGKS-RTBURBONSA-N 2 0 361.486 1.591 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000892188765 782076935 /nfs/dbraw/zinc/07/69/35/782076935.db2.gz SVYOATOVVLVMHT-GUDVDZBRSA-N 2 0 371.529 1.626 20 10 FDCDRP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1OC ZINC000892152344 781799139 /nfs/dbraw/zinc/79/91/39/781799139.db2.gz GSWVPSVSDQLSQY-NVXWUHKLSA-N 2 0 363.502 1.867 20 10 FDCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892929435 791716924 /nfs/dbraw/zinc/71/69/24/791716924.db2.gz UMGNKYGJRBYGJU-HNNXBMFYSA-N 2 0 351.491 1.773 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000892938877 791800592 /nfs/dbraw/zinc/80/05/92/791800592.db2.gz GFHUKXPKSYCRGC-PKOBYXMFSA-N 2 0 357.502 1.332 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCC[N@H+](C)C3)cc2)CC1 ZINC000896445134 824418846 /nfs/dbraw/zinc/41/88/46/824418846.db2.gz RRFYZBWMEPGQIO-LJQANCHMSA-N 2 0 373.545 1.970 20 10 FDCDRP C[C@H](C[NH3+])CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841870341 839578045 /nfs/dbraw/zinc/57/80/45/839578045.db2.gz YHGAAGOVRVPMOC-MRXNPFEDSA-N 2 0 359.518 1.613 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(c3ccccc3)C[C@H]([NH3+])C2)cc1 ZINC000911665252 858876934 /nfs/dbraw/zinc/87/69/34/858876934.db2.gz BWCYUYMAAZBRLK-YFVAEKQCSA-N 2 0 352.482 1.928 20 10 FDCDRP COc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205208922 907357646 /nfs/dbraw/zinc/35/76/46/907357646.db2.gz GGVHCBRARNXROD-HNNXBMFYSA-N 2 0 359.264 1.839 20 10 FDCDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000265610109 908864787 /nfs/dbraw/zinc/86/47/87/908864787.db2.gz NLWCGRWFIJLNJS-UHFFFAOYSA-N 2 0 371.437 1.702 20 10 FDCDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769942029 929773928 /nfs/dbraw/zinc/77/39/28/929773928.db2.gz GRIOXGWXGPSJGI-QGZVFWFLSA-N 2 0 364.509 1.778 20 10 FDCDRP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)S(C)(=O)=O ZINC000819200113 943472065 /nfs/dbraw/zinc/47/20/65/943472065.db2.gz JZIMYEHNUOKYSS-MRXNPFEDSA-N 2 0 365.543 1.741 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](N4CCNC4=O)C3)cc2)CC1 ZINC000775658093 971002697 /nfs/dbraw/zinc/00/26/97/971002697.db2.gz LWVRSDZLIAOELC-LJQANCHMSA-N 2 0 357.502 1.428 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](C4CCOCC4)CC3)cc2)CC1 ZINC000775714957 971681163 /nfs/dbraw/zinc/68/11/63/971681163.db2.gz XQYHWGWPENTNCS-UHFFFAOYSA-N 2 0 358.530 1.735 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000852792242 967611192 /nfs/dbraw/zinc/61/11/92/967611192.db2.gz SZUUKFRULOXGAI-INIZCTEOSA-N 2 0 357.458 1.637 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000852792303 967611242 /nfs/dbraw/zinc/61/12/42/967611242.db2.gz VDGKGTLXWMBDKN-IAGOWNOFSA-N 2 0 371.489 1.089 20 10 FDCDRP COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000853249147 967944097 /nfs/dbraw/zinc/94/40/97/967944097.db2.gz NTLOBOBPNHCFRO-HNNXBMFYSA-N 2 0 371.485 1.913 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C3([NH+](C)C)CCC3)CC2)cc1 ZINC000119529837 973034337 /nfs/dbraw/zinc/03/43/37/973034337.db2.gz ZHHOKSGILWYNDK-UHFFFAOYSA-N 2 0 374.529 1.808 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000866757598 976001002 /nfs/dbraw/zinc/00/10/02/976001002.db2.gz ZTBDJZJJRKVPRQ-QGZVFWFLSA-N 2 0 354.520 1.158 20 10 FDCDRP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000851658930 978987231 /nfs/dbraw/zinc/98/72/31/978987231.db2.gz LWRNMGFKEXOAQT-INIZCTEOSA-N 2 0 359.518 1.626 20 10 FDCDRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000878479796 993977110 /nfs/dbraw/zinc/97/71/10/993977110.db2.gz JDZUIPWBDAJTMT-LJQANCHMSA-N 2 0 373.545 1.968 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCN[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000925517235 995636687 /nfs/dbraw/zinc/63/66/87/995636687.db2.gz FTODYMSJYMKHHJ-ZBWQPJPKSA-N 2 0 370.541 1.793 20 10 FDCDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925779047 995764764 /nfs/dbraw/zinc/76/47/64/995764764.db2.gz ZIGUABKAMJJWHS-GDIGMMSISA-N 2 0 360.502 1.230 20 10 FDCDRP C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)C2)C1 ZINC000889663404 998513761 /nfs/dbraw/zinc/51/37/61/998513761.db2.gz QIJXQSYBTXNUQN-NRFANRHFSA-N 2 0 371.529 1.676 20 10 FDCDRP CN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000889669231 998518710 /nfs/dbraw/zinc/51/87/10/998518710.db2.gz CLXNKOOXVZACDU-HXUWFJFHSA-N 2 0 371.529 1.817 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@H]3CC[NH2+]C3)cc2F)CC1 ZINC000270341847 999542841 /nfs/dbraw/zinc/54/28/41/999542841.db2.gz OYBLJHDISBAOGT-INIZCTEOSA-N 2 0 362.493 1.974 20 10 FDCDRP COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779144103 1007436965 /nfs/dbraw/zinc/43/69/65/1007436965.db2.gz MJAJZJJYSXTGKS-OALUTQOASA-N 2 0 361.486 1.591 20 10 FDCDRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000289833676 537594536 /nfs/dbraw/zinc/59/45/36/537594536.db2.gz BJVNIMVYCLYDGU-UXHICEINSA-N 2 0 374.529 1.712 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNc3ccc(N4CC[NH2+]CC4)nc3)cc2)CC1 ZINC001167431426 774656939 /nfs/dbraw/zinc/65/69/39/774656939.db2.gz ZBMIYJRNYKQUHI-UHFFFAOYSA-N 2 0 366.513 1.855 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNc3cnc(O[C@H]4CC[NH2+]C4)nc3)cc2)CC1 ZINC001167434506 774813025 /nfs/dbraw/zinc/81/30/25/774813025.db2.gz NHNCZRZGQRYZNY-IBGZPJMESA-N 2 0 368.485 1.581 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000892940443 791815405 /nfs/dbraw/zinc/81/54/05/791815405.db2.gz WZBUUDYSMSTMGV-DFQSSKMNSA-N 2 0 371.529 1.707 20 10 FDCDRP C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841870340 839605691 /nfs/dbraw/zinc/60/56/91/839605691.db2.gz YHGAAGOVRVPMOC-INIZCTEOSA-N 2 0 359.518 1.613 20 10 FDCDRP Cc1cc(NC(=O)CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000905428477 851933750 /nfs/dbraw/zinc/93/37/50/851933750.db2.gz UOTIVBMYDSXOKL-UHFFFAOYSA-N 2 0 357.458 1.853 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3ccccc3)C(N)=O)cc2)CC1 ZINC000905790051 852260867 /nfs/dbraw/zinc/26/08/67/852260867.db2.gz UZCFILSAOOZJHK-HXUWFJFHSA-N 2 0 352.482 1.625 20 10 FDCDRP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923449367 889302187 /nfs/dbraw/zinc/30/21/87/889302187.db2.gz NESRKRNQFVVZES-LJQANCHMSA-N 2 0 374.529 1.541 20 10 FDCDRP C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000921748488 897557903 /nfs/dbraw/zinc/55/79/03/897557903.db2.gz IVUUVMDMCNEGPA-FQEVSTJZSA-N 2 0 371.529 1.722 20 10 FDCDRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000769946697 929747293 /nfs/dbraw/zinc/74/72/93/929747293.db2.gz ISGIFRCZGSGIBF-UHFFFAOYSA-N 3 0 373.589 1.944 20 10 FDCDRP CON(C)C(=O)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000812779370 941270721 /nfs/dbraw/zinc/27/07/21/941270721.db2.gz OMMLJPNWOHOYJF-UHFFFAOYSA-N 2 0 360.502 1.670 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4cnccn4)CC3)cc2)CC1 ZINC000775650073 970895512 /nfs/dbraw/zinc/89/55/12/970895512.db2.gz PDINEPJNORRJLZ-UHFFFAOYSA-N 2 0 352.486 1.551 20 10 FDCDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817936856 943086495 /nfs/dbraw/zinc/08/64/95/943086495.db2.gz VZXWZBHNWPWLNR-QEORTHHSSA-N 2 0 355.429 1.643 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[NH+]3CCC([C@@H](C)[NH3+])CC3)CC2)cc1 ZINC000844219977 947848483 /nfs/dbraw/zinc/84/84/83/947848483.db2.gz PKCCQGDQINXJRC-MRXNPFEDSA-N 2 0 360.502 1.403 20 10 FDCDRP CC[C@H]1CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@H]1[NH3+] ZINC000844222283 947854919 /nfs/dbraw/zinc/85/49/19/947854919.db2.gz CIHJWJPRGPLJMH-QFBILLFUSA-N 2 0 360.502 1.403 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001186362549 964446357 /nfs/dbraw/zinc/44/63/57/964446357.db2.gz SRSOEBHENBVWSC-SFHVURJKSA-N 2 0 374.529 1.665 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000775639358 970701673 /nfs/dbraw/zinc/70/16/73/970701673.db2.gz VNRLCRBKTWYDJS-UHFFFAOYSA-N 2 0 352.486 1.551 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)C[NH2+]C)cc2F)CC1 ZINC000851657269 978986556 /nfs/dbraw/zinc/98/65/56/978986556.db2.gz WDWFLEFTGWJDSP-AWEZNQCLSA-N 2 0 351.470 1.375 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000883741919 982430820 /nfs/dbraw/zinc/43/08/20/982430820.db2.gz UBQCQJONDRVOJQ-LJQANCHMSA-N 2 0 373.545 1.970 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CCC3C[NH2+]C3)CC2)cc1 ZINC000876780004 992905328 /nfs/dbraw/zinc/90/53/28/992905328.db2.gz QFTZVVDLDDRRCD-UHFFFAOYSA-N 2 0 360.502 1.323 20 10 FDCDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925779052 995765094 /nfs/dbraw/zinc/76/50/94/995765094.db2.gz ZIGUABKAMJJWHS-KYNGSXCRSA-N 2 0 360.502 1.230 20 10 FDCDRP CCC[N@H+](C)CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000195010259 1011544189 /nfs/dbraw/zinc/54/41/89/1011544189.db2.gz ZIXKGQCLXMQTLG-UHFFFAOYSA-N 2 0 362.518 1.665 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCS(=O)(=O)CC3)cc2F)CC1 ZINC000291086165 676243334 /nfs/dbraw/zinc/24/33/34/676243334.db2.gz HGXFIXJGDMPFTG-UHFFFAOYSA-N 2 0 369.506 1.634 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(C4(O)CCOCC4)CC3)cc2)CC1 ZINC000922595245 878751974 /nfs/dbraw/zinc/75/19/74/878751974.db2.gz MRASIIHXUFHKFD-UHFFFAOYSA-N 2 0 359.514 1.850 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C)CC2)cc1 ZINC000923370518 889027812 /nfs/dbraw/zinc/02/78/12/889027812.db2.gz PTNUJPJCTWQZAL-MJGOQNOKSA-N 2 0 364.534 1.141 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCN3CCC[N@H+](C)CC3)cc2)CC1 ZINC000771832567 930931406 /nfs/dbraw/zinc/93/14/06/930931406.db2.gz KIGSRSMDFJJRHV-UHFFFAOYSA-N 3 0 359.562 1.556 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@]3(CO)CCCO3)cc2)CC1 ZINC000816667231 942293059 /nfs/dbraw/zinc/29/30/59/942293059.db2.gz HFKFVIFKDIXBQJ-RTWAWAEBSA-N 2 0 359.514 1.848 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cc2)CC1 ZINC000775685326 971375082 /nfs/dbraw/zinc/37/50/82/971375082.db2.gz HERZYTWPUORAPY-JOCHJYFZSA-N 2 0 371.573 1.650 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000844190528 947826606 /nfs/dbraw/zinc/82/66/06/947826606.db2.gz AYKDJYSUPFMXGL-CTNGQTDRSA-N 2 0 372.513 1.323 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](CC[NH3+])C3)CC2)cc1 ZINC000844223601 947857035 /nfs/dbraw/zinc/85/70/35/947857035.db2.gz ZWWBMNJSJHJKBE-QGZVFWFLSA-N 2 0 360.502 1.405 20 10 FDCDRP COCC[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC000846103253 950560363 /nfs/dbraw/zinc/56/03/63/950560363.db2.gz UZPMQCHYMTWYNT-UHFFFAOYSA-N 2 0 360.546 1.981 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000846227485 950746365 /nfs/dbraw/zinc/74/63/65/950746365.db2.gz SUAQBRUIZMPAGI-MISYRCLQSA-N 2 0 374.529 1.730 20 10 FDCDRP CCS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000850397479 978357299 /nfs/dbraw/zinc/35/72/99/978357299.db2.gz GEPBSDQNKHAITR-UHFFFAOYSA-N 2 0 351.516 1.495 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883133929 981970513 /nfs/dbraw/zinc/97/05/13/981970513.db2.gz KZLLKQPYFWKTCK-AZUAARDMSA-N 2 0 371.529 1.864 20 10 FDCDRP CC[NH+]1CCC(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000883280972 982042138 /nfs/dbraw/zinc/04/21/38/982042138.db2.gz VEWQZPVZBQHVCA-UHFFFAOYSA-N 2 0 373.545 1.970 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@H+](C)CCCCCC[NH3+])CC2)cc1 ZINC000872155497 987471299 /nfs/dbraw/zinc/47/12/99/987471299.db2.gz MVNFRYYXCZQRRE-UHFFFAOYSA-N 2 0 362.518 1.795 20 10 FDCDRP Nc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(N)n1 ZINC000877119856 993058223 /nfs/dbraw/zinc/05/82/23/993058223.db2.gz BECPDONFICDOFD-UHFFFAOYSA-N 2 0 367.501 1.463 20 10 FDCDRP CN(CCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1)CC[NH+](C)C ZINC000877534753 993326610 /nfs/dbraw/zinc/32/66/10/993326610.db2.gz GVWAHTWOKHSGAE-UHFFFAOYSA-N 2 0 362.562 1.963 20 10 FDCDRP COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779144100 1007437026 /nfs/dbraw/zinc/43/70/26/1007437026.db2.gz MJAJZJJYSXTGKS-MOPGFXCFSA-N 2 0 361.486 1.591 20 10 FDCDRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162501899 525268312 /nfs/dbraw/zinc/26/83/12/525268312.db2.gz NOFIMBCDEOGHSM-KRWDZBQOSA-N 2 0 364.509 1.950 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)C[N@H+](C)[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000891254618 774147559 /nfs/dbraw/zinc/14/75/59/774147559.db2.gz ZNOFHCLVTHWLPQ-MSOLQXFVSA-N 2 0 364.559 1.909 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891739273 779223122 /nfs/dbraw/zinc/22/31/22/779223122.db2.gz OZIZLLLJEMRZQT-ICSRJNTNSA-N 2 0 369.513 1.474 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000178872291 811188347 /nfs/dbraw/zinc/18/83/47/811188347.db2.gz VIWBVRJVGRCMLL-QGZVFWFLSA-N 2 0 360.502 1.466 20 10 FDCDRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911665204 858876901 /nfs/dbraw/zinc/87/69/01/858876901.db2.gz BCCYYAOYCUEGKB-GHTZIAJQSA-N 2 0 368.481 1.678 20 10 FDCDRP CC(C)[NH+](C)CC(=O)Nc1ccc(O)c(CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC000923122390 888095194 /nfs/dbraw/zinc/09/51/94/888095194.db2.gz AVTQVLHCOLHIHN-UHFFFAOYSA-N 2 0 364.490 1.627 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C[C@@H]3COCCN3)cc2F)CC1 ZINC000817902077 943071674 /nfs/dbraw/zinc/07/16/74/943071674.db2.gz HSZUHTCURAWRQL-SJLPKXTDSA-N 2 0 364.509 1.824 20 10 FDCDRP CCC[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000844190539 947826475 /nfs/dbraw/zinc/82/64/75/947826475.db2.gz BIQIPFFJNQHJCB-KRWDZBQOSA-N 2 0 362.518 1.712 20 10 FDCDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCc3cc(C[NH3+])ccc32)C1 ZINC000844219982 947848716 /nfs/dbraw/zinc/84/87/16/947848716.db2.gz PRGWKDOSHJGESE-IBGZPJMESA-N 2 0 374.529 1.371 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000846225035 950735334 /nfs/dbraw/zinc/73/53/34/950735334.db2.gz IUQAEVMUXZNWLM-NLWGTHIKSA-N 2 0 374.529 1.587 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000846225034 950735900 /nfs/dbraw/zinc/73/59/00/950735900.db2.gz IUQAEVMUXZNWLM-CMKODMSKSA-N 2 0 374.529 1.587 20 10 FDCDRP COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248548 967943959 /nfs/dbraw/zinc/94/39/59/967943959.db2.gz HLNBTZVWPQNBJL-HNNXBMFYSA-N 2 0 371.485 1.913 20 10 FDCDRP C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CS1(=O)=O ZINC000850368882 978341614 /nfs/dbraw/zinc/34/16/14/978341614.db2.gz GHFVDVYKANMNDR-RDJZCZTQSA-N 2 0 351.516 1.494 20 10 FDCDRP CC[NH+]1CCN(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881851752 980214240 /nfs/dbraw/zinc/21/42/40/980214240.db2.gz PUNAPNQWPKPLGZ-UHFFFAOYSA-N 2 0 373.545 1.082 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCN(c4cnccn4)CC3)cc2)CC1 ZINC000883289128 982047348 /nfs/dbraw/zinc/04/73/48/982047348.db2.gz FOGKOUWKPPCFMR-UHFFFAOYSA-N 2 0 366.513 1.987 20 10 FDCDRP C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1=CC[N@H+](C)CC1 ZINC000883600702 982298038 /nfs/dbraw/zinc/29/80/38/982298038.db2.gz IIEOAZWGGMKJQY-QGZVFWFLSA-N 2 0 371.529 1.888 20 10 FDCDRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883701214 982394687 /nfs/dbraw/zinc/39/46/87/982394687.db2.gz HUFVFZGMBQLAMJ-KRWDZBQOSA-N 2 0 361.534 1.966 20 10 FDCDRP Cc1cc(O)c(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Cl)c1 ZINC000872257530 987551829 /nfs/dbraw/zinc/55/18/29/987551829.db2.gz SJRCDBCXHSHHMW-PEYYIBSZSA-N 2 0 351.834 1.721 20 10 FDCDRP COc1cc(O)c(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1OC ZINC000367725459 988963916 /nfs/dbraw/zinc/96/39/16/988963916.db2.gz YYLOZYMHFUULGN-MRXNPFEDSA-N 2 0 363.502 1.869 20 10 FDCDRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877042400 993026714 /nfs/dbraw/zinc/02/67/14/993026714.db2.gz WAFCPGANJJTMDF-FQEVSTJZSA-N 2 0 361.530 1.974 20 10 FDCDRP C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889669174 998518961 /nfs/dbraw/zinc/51/89/61/998518961.db2.gz AISWEKCOGDLVTR-IBGZPJMESA-N 2 0 359.518 1.674 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@]3(F)CC[NH2+]C3)CC2)cc1 ZINC000178872316 525495665 /nfs/dbraw/zinc/49/56/65/525495665.db2.gz BNITWORJDMAETD-IBGZPJMESA-N 2 0 364.465 1.025 20 10 FDCDRP COc1c([O-])c(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278849694 537341437 /nfs/dbraw/zinc/34/14/37/537341437.db2.gz KWUSOMQCGPXAHE-MRXNPFEDSA-N 2 0 366.462 1.671 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3([NH3+])CCCCC3)cc2)CC1 ZINC000891977043 780982976 /nfs/dbraw/zinc/98/29/76/780982976.db2.gz IICPDHITJWCVCI-UHFFFAOYSA-N 2 0 359.518 1.899 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000892059529 781405472 /nfs/dbraw/zinc/40/54/72/781405472.db2.gz GPERVIRYTQALAV-FQEVSTJZSA-N 2 0 359.518 1.627 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCCCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000892939444 791827398 /nfs/dbraw/zinc/82/73/98/791827398.db2.gz LBSHZJIRPOLWSV-GOSISDBHSA-N 2 0 359.518 1.851 20 10 FDCDRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377627995 792353809 /nfs/dbraw/zinc/35/38/09/792353809.db2.gz PZWWCQUXDHXPPW-NRFANRHFSA-N 2 0 372.557 1.983 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC000843757529 818374076 /nfs/dbraw/zinc/37/40/76/818374076.db2.gz CITYAUAMFBVDPD-YLJYHZDGSA-N 2 0 374.529 1.664 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)[NH+](C)C)cc1 ZINC000899095358 845755119 /nfs/dbraw/zinc/75/51/19/845755119.db2.gz IFXQIOGNAKMAPW-UHOSZYNNSA-N 2 0 359.518 1.701 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc4n3CCOC4)cc2F)CC1 ZINC000921704569 897154830 /nfs/dbraw/zinc/15/48/30/897154830.db2.gz LDCBVXXOEPJGIM-UHFFFAOYSA-N 2 0 373.476 1.984 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)NCCC[NH+](C)C)cc2F)CC1 ZINC000730111925 916158706 /nfs/dbraw/zinc/15/87/06/916158706.db2.gz RCWKYTCXXJHXSJ-UHFFFAOYSA-N 2 0 365.497 1.719 20 10 FDCDRP CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000808437446 940547450 /nfs/dbraw/zinc/54/74/50/940547450.db2.gz NWDPCMOFYSFTIR-KRWDZBQOSA-N 2 0 350.532 1.396 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C[C@@H]3COCCN3)cc2F)CC1 ZINC000817902076 943071894 /nfs/dbraw/zinc/07/18/94/943071894.db2.gz HSZUHTCURAWRQL-FUHWJXTLSA-N 2 0 364.509 1.824 20 10 FDCDRP C[N@H+](C[C@H](O)CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200321 943473064 /nfs/dbraw/zinc/47/30/64/943473064.db2.gz NQCRMUXGHHLWRI-JOCHJYFZSA-N 2 0 372.557 1.763 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC000844190530 947826245 /nfs/dbraw/zinc/82/62/45/947826245.db2.gz AYKDJYSUPFMXGL-PZJWPPBQSA-N 2 0 372.513 1.323 20 10 FDCDRP COc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc(O)c1O ZINC001193096197 969500091 /nfs/dbraw/zinc/50/00/91/969500091.db2.gz KWRZTYOGYGLFKV-UHFFFAOYSA-N 2 0 353.463 1.452 20 10 FDCDRP Nc1nc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc(N)[nH+]1 ZINC000858464758 982064152 /nfs/dbraw/zinc/06/41/52/982064152.db2.gz PWJKMINNZXDYAI-UHFFFAOYSA-N 2 0 354.462 1.180 20 10 FDCDRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000883456661 982163108 /nfs/dbraw/zinc/16/31/08/982163108.db2.gz FGQXUVLKZVFUSI-AEFFLSMTSA-N 2 0 359.518 1.720 20 10 FDCDRP C[NH2+]CCOc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000884010417 982699641 /nfs/dbraw/zinc/69/96/41/982699641.db2.gz BVJVLMUFMVYYMG-LJQANCHMSA-N 2 0 356.470 1.781 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)N(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000861549684 983775419 /nfs/dbraw/zinc/77/54/19/983775419.db2.gz NHCPYMMXVVFQBC-MRXNPFEDSA-N 2 0 363.506 1.196 20 10 FDCDRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000878426795 993951210 /nfs/dbraw/zinc/95/12/10/993951210.db2.gz PHUUTJKPHYZYOT-IBGZPJMESA-N 2 0 373.545 1.970 20 10 FDCDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4COC[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000925778385 995763941 /nfs/dbraw/zinc/76/39/41/995763941.db2.gz VEPRMZQRRTXLJS-XGPVDZAGSA-N 2 0 372.513 1.230 20 10 FDCDRP COc1ccc(N2CCC([NH2+]C[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC2)cc1 ZINC000925850872 995796397 /nfs/dbraw/zinc/79/63/97/995796397.db2.gz CNFYHAXKVRBVRI-LJQANCHMSA-N 2 0 373.497 1.939 20 10 FDCDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155704751 1006716291 /nfs/dbraw/zinc/71/62/91/1006716291.db2.gz UWDDFZPXJLBGGZ-UHFFFAOYSA-N 2 0 359.518 1.698 20 10 FDCDRP COc1cc(O)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1OC ZINC000158866887 524542372 /nfs/dbraw/zinc/54/23/72/524542372.db2.gz AJYHRSTUAZJPCY-UHFFFAOYSA-N 2 0 350.459 1.954 20 10 FDCDRP COc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000181336991 525843209 /nfs/dbraw/zinc/84/32/09/525843209.db2.gz HTMMVESOBRWSTI-UHFFFAOYSA-N 2 0 357.454 1.982 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)NCCC(C)(C)[NH3+])cc2F)CC1 ZINC000891526586 778213035 /nfs/dbraw/zinc/21/30/35/778213035.db2.gz BQZUSGDZSFZUKD-UHFFFAOYSA-N 2 0 365.497 1.894 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C[NH3+])C3CCCC3)cc2)CC1 ZINC000892093974 781510393 /nfs/dbraw/zinc/51/03/93/781510393.db2.gz YFKLPKKCSAOZPL-LJQANCHMSA-N 2 0 359.518 1.755 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCCC3=CC[NH2+]CC3)cc2)CC1 ZINC000892102105 781535102 /nfs/dbraw/zinc/53/51/02/781535102.db2.gz XBUXENUXGCMVNO-UHFFFAOYSA-N 2 0 357.502 1.547 20 10 FDCDRP COc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(O)c1OC ZINC000892595783 787553608 /nfs/dbraw/zinc/55/36/08/787553608.db2.gz XNLWNRGYSRTCRT-UHFFFAOYSA-N 2 0 372.469 1.846 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000892901694 791599407 /nfs/dbraw/zinc/59/94/07/791599407.db2.gz BLAJHGRMZHMWIP-QFBILLFUSA-N 2 0 361.534 1.996 20 10 FDCDRP C[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000892939403 791807205 /nfs/dbraw/zinc/80/72/05/791807205.db2.gz JOISRSPHPHXRGQ-WMZOPIPTSA-N 2 0 359.518 1.565 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CCc3ncc[nH]3)CC2)cc1 ZINC000279156502 808525445 /nfs/dbraw/zinc/52/54/45/808525445.db2.gz FUMBXRPBALZMHH-UHFFFAOYSA-N 2 0 371.485 1.679 20 10 FDCDRP COc1cc(O)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1OC ZINC000271705344 814461075 /nfs/dbraw/zinc/46/10/75/814461075.db2.gz FGWLQEOUBBWKRZ-UHFFFAOYSA-N 2 0 365.474 1.299 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[NH+](C)C)cc1 ZINC000899095692 845756754 /nfs/dbraw/zinc/75/67/54/845756754.db2.gz LBWQHQSTOUAPEM-ZIFCJYIRSA-N 2 0 359.518 1.558 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000899102077 845774405 /nfs/dbraw/zinc/77/44/05/845774405.db2.gz JVURNBHFIUFGHA-QFBILLFUSA-N 2 0 361.534 1.948 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)C3C[NH+](C4CCOCC4)C3)cc2)CC1 ZINC000899212405 845946668 /nfs/dbraw/zinc/94/66/68/845946668.db2.gz UHTJSLHUBSOWKQ-UHFFFAOYSA-N 2 0 372.513 1.165 20 10 FDCDRP CC[C@H](C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000158054600 863984473 /nfs/dbraw/zinc/98/44/73/863984473.db2.gz ZTKISICRYRCBHM-LJQANCHMSA-N 2 0 362.518 1.664 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4c3cnn4CCO)cc2)CC1 ZINC000771825053 930928052 /nfs/dbraw/zinc/92/80/52/930928052.db2.gz WGWZFFBKWRAMLL-FQEVSTJZSA-N 2 0 369.513 1.794 20 10 FDCDRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817942589 943089103 /nfs/dbraw/zinc/08/91/03/943089103.db2.gz ATOOWGKXNPENDI-OAHLLOKOSA-N 2 0 352.910 1.732 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)[NH2+]C3CC3)CC2)cc1 ZINC000844191303 947830513 /nfs/dbraw/zinc/83/05/13/947830513.db2.gz LEQDWOUOYPQUQT-INIZCTEOSA-N 2 0 360.502 1.464 20 10 FDCDRP COc1ccc(N2CCN(CCNC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674630 951438692 /nfs/dbraw/zinc/43/86/92/951438692.db2.gz QYIGCXLSFUFYTQ-VQTJNVASSA-N 2 0 372.513 1.464 20 10 FDCDRP COc1ccc(N2CCN(CCNC(=O)[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000846674916 951438891 /nfs/dbraw/zinc/43/88/91/951438891.db2.gz YBQQFUGLSHIULW-KRWDZBQOSA-N 2 0 360.502 1.323 20 10 FDCDRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000883456664 982162833 /nfs/dbraw/zinc/16/28/33/982162833.db2.gz FGQXUVLKZVFUSI-WMZOPIPTSA-N 2 0 359.518 1.720 20 10 FDCDRP COc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873043922 988470131 /nfs/dbraw/zinc/47/01/31/988470131.db2.gz WRNGKPCWPWPNHF-GOSISDBHSA-N 2 0 371.529 1.913 20 10 FDCDRP O=C1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCN1 ZINC000873099353 988539934 /nfs/dbraw/zinc/53/99/34/988539934.db2.gz YAJMLWRNHUWXHU-LJQANCHMSA-N 2 0 356.514 1.977 20 10 FDCDRP COc1cc(O)c(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1OC ZINC000367725458 988964372 /nfs/dbraw/zinc/96/43/72/988964372.db2.gz YYLOZYMHFUULGN-INIZCTEOSA-N 2 0 363.502 1.869 20 10 FDCDRP CCN1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631097 989686749 /nfs/dbraw/zinc/68/67/49/989686749.db2.gz ONOKGCYKIDEURV-FUHWJXTLSA-N 2 0 363.502 1.800 20 10 FDCDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1(C)C ZINC000877499651 993307033 /nfs/dbraw/zinc/30/70/33/993307033.db2.gz RTSXZXXMUZZTLE-UHFFFAOYSA-N 2 0 360.546 1.763 20 10 FDCDRP C[NH+]1CCN(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)CC1 ZINC000877747060 993494887 /nfs/dbraw/zinc/49/48/87/993494887.db2.gz UIGCCYBNUGFLGO-UHFFFAOYSA-N 2 0 372.557 1.860 20 10 FDCDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924731758 994957216 /nfs/dbraw/zinc/95/72/16/994957216.db2.gz ZNTRCHRIQZJISR-RYRLBTNJSA-N 2 0 356.514 1.818 20 10 FDCDRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666383 998516323 /nfs/dbraw/zinc/51/63/23/998516323.db2.gz LFAKOHHKXMKJJV-XLIONFOSSA-N 2 0 373.545 1.920 20 10 FDCDRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000269660806 999471190 /nfs/dbraw/zinc/47/11/90/999471190.db2.gz LJDWZARZBUPCPO-LPHOPBHVSA-N 2 0 362.518 1.697 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)NCC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000892826462 791356586 /nfs/dbraw/zinc/35/65/86/791356586.db2.gz JPWOVRNMHLQBIM-IBGZPJMESA-N 2 0 361.534 1.996 20 10 FDCDRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377627997 792353202 /nfs/dbraw/zinc/35/32/02/792353202.db2.gz PZWWCQUXDHXPPW-OAQYLSRUSA-N 2 0 372.557 1.983 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC34CC[NH+](C)CC4)cc2)CC1 ZINC000896444824 824418020 /nfs/dbraw/zinc/41/80/20/824418020.db2.gz NRRUJTUJRLFOKL-UHFFFAOYSA-N 2 0 371.529 1.818 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CC[N@@H+]3C)cc2F)CC1 ZINC000917233941 883252896 /nfs/dbraw/zinc/25/28/96/883252896.db2.gz ZGAMRDLDCUERTH-MRXNPFEDSA-N 2 0 363.481 1.471 20 10 FDCDRP CC[C@H](C(=O)Nc1ccc(O)c(CNC(=O)[C@H](CC)[NH+](C)C)c1)[NH+](C)C ZINC000923122020 888094085 /nfs/dbraw/zinc/09/40/85/888094085.db2.gz LTRHMMGYXDFYHK-JKSUJKDBSA-N 2 0 364.490 1.627 20 10 FDCDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769942025 929773631 /nfs/dbraw/zinc/77/36/31/929773631.db2.gz GRIOXGWXGPSJGI-KRWDZBQOSA-N 2 0 364.509 1.778 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CCN(CC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000775644522 970768768 /nfs/dbraw/zinc/76/87/68/970768768.db2.gz MUZGJNGHJYLJKY-UHFFFAOYSA-N 2 0 371.573 1.652 20 10 FDCDRP C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700649 940880028 /nfs/dbraw/zinc/88/00/28/940880028.db2.gz LGKDDRNEGYCBHD-GHTZIAJQSA-N 2 0 358.530 1.733 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@]3(CO)CCCO3)cc2)CC1 ZINC000816667229 942292958 /nfs/dbraw/zinc/29/29/58/942292958.db2.gz HFKFVIFKDIXBQJ-LEWJYISDSA-N 2 0 359.514 1.848 20 10 FDCDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892215 943066883 /nfs/dbraw/zinc/06/68/83/943066883.db2.gz KRCXVIFKUXFBFQ-SJLPKXTDSA-N 2 0 351.516 1.529 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)cc1 ZINC000844192045 947828941 /nfs/dbraw/zinc/82/89/41/947828941.db2.gz ZRMOBBZLPQWEEN-YLJYHZDGSA-N 2 0 374.529 1.712 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@]3(C)CCC[NH2+]3)CC2)cc1 ZINC000844192403 947831203 /nfs/dbraw/zinc/83/12/03/947831203.db2.gz PEQJLEADTZITMX-FQEVSTJZSA-N 2 0 360.502 1.466 20 10 FDCDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509626 949786327 /nfs/dbraw/zinc/78/63/27/949786327.db2.gz GIBOJJNYLLENRM-FOIQADDNSA-N 2 0 362.470 1.984 20 10 FDCDRP CN(C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000852865797 967671450 /nfs/dbraw/zinc/67/14/50/967671450.db2.gz PMBOVSKFWKGLBH-CQSZACIVSA-N 2 0 357.458 1.704 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000852873334 967680215 /nfs/dbraw/zinc/68/02/15/967680215.db2.gz SHVZCVUCEMWLFG-MOPGFXCFSA-N 2 0 360.502 1.451 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CC[NH2+]C3CC3)CC2)cc1 ZINC000848416104 976723542 /nfs/dbraw/zinc/72/35/42/976723542.db2.gz YVMMESYULKGSCL-UHFFFAOYSA-N 2 0 360.502 1.466 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000883741918 982430597 /nfs/dbraw/zinc/43/05/97/982430597.db2.gz UBQCQJONDRVOJQ-IBGZPJMESA-N 2 0 373.545 1.970 20 10 FDCDRP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000861615389 983792700 /nfs/dbraw/zinc/79/27/00/983792700.db2.gz MCCTWSJOZQZVEL-MRXNPFEDSA-N 2 0 359.518 1.707 20 10 FDCDRP O=C1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCN1 ZINC000873099352 988540163 /nfs/dbraw/zinc/54/01/63/988540163.db2.gz YAJMLWRNHUWXHU-IBGZPJMESA-N 2 0 356.514 1.977 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(CC)CC[NH2+]C3)cc2F)CC1 ZINC000372192336 990952711 /nfs/dbraw/zinc/95/27/11/990952711.db2.gz NLRMSHUMALRPCY-FQEVSTJZSA-N 2 0 362.493 1.974 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](F)[C@H]3CC[NH2+]C3)cc2F)CC1 ZINC000876783625 992910923 /nfs/dbraw/zinc/91/09/23/992910923.db2.gz IGUHAAPFLYILLM-MAUKXSAKSA-N 2 0 366.456 1.531 20 10 FDCDRP C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CN1CC[NH+](C)CC1 ZINC000877018138 993014006 /nfs/dbraw/zinc/01/40/06/993014006.db2.gz ZCVKBBSBDDNCQM-GOSISDBHSA-N 2 0 360.546 1.621 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CC(CNC(=O)C(F)(F)F)C3)cc2)CC1 ZINC000877776974 993508467 /nfs/dbraw/zinc/50/84/67/993508467.db2.gz IZSAQCOSUIOXAY-UHFFFAOYSA-N 2 0 370.419 1.549 20 10 FDCDRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@@H]21 ZINC000889658531 998506974 /nfs/dbraw/zinc/50/69/74/998506974.db2.gz GNJNUXCSVZZZJN-ICSRJNTNSA-N 2 0 371.529 1.674 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000178872229 525496406 /nfs/dbraw/zinc/49/64/06/525496406.db2.gz IXCBUBQLNYUOBV-KRWDZBQOSA-N 2 0 360.502 1.323 20 10 FDCDRP CC[C@@]1(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC[NH2+]C1 ZINC000119748741 525847411 /nfs/dbraw/zinc/84/74/11/525847411.db2.gz GZLMIMCVCCQTGK-OAQYLSRUSA-N 2 0 374.529 1.713 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cc2F)CC1 ZINC000182884966 535880233 /nfs/dbraw/zinc/88/02/33/535880233.db2.gz AZFVLOSKUVOMIV-MRXNPFEDSA-N 2 0 369.506 1.634 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CC(C)C)cc2F)CC1 ZINC000236895814 537602504 /nfs/dbraw/zinc/60/25/04/537602504.db2.gz BNDOHXCYRRDNKE-KRWDZBQOSA-N 2 0 350.482 1.957 20 10 FDCDRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248402 774097067 /nfs/dbraw/zinc/09/70/67/774097067.db2.gz LJEHPNQMHLJGJO-APWZRJJASA-N 2 0 362.518 1.440 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000892938663 791793820 /nfs/dbraw/zinc/79/38/20/791793820.db2.gz CBPLWQIXRMLMCI-NRFANRHFSA-N 2 0 371.529 1.724 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCc3cc(N)cc[nH+]3)cc2)CC1 ZINC000892939623 791813328 /nfs/dbraw/zinc/81/33/28/791813328.db2.gz MZYKXOSRPJBHCI-UHFFFAOYSA-N 2 0 354.458 1.415 20 10 FDCDRP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)CC1 ZINC000378350687 793985597 /nfs/dbraw/zinc/98/55/97/793985597.db2.gz PAAQGIAFPQPUBW-SFHVURJKSA-N 2 0 355.482 1.994 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(S(N)(=O)=O)c3)cc2)CC1 ZINC000895607805 822670287 /nfs/dbraw/zinc/67/02/87/822670287.db2.gz CEUHDBAJIBNVFB-UHFFFAOYSA-N 2 0 374.510 1.376 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC([C@H]4COC(=O)N4)CC3)cc2)CC1 ZINC000897025636 826786311 /nfs/dbraw/zinc/78/63/11/826786311.db2.gz XZGUWCPCBBMOLK-LJQANCHMSA-N 2 0 358.486 1.759 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)COC3CCOCC3)cc2)CC1 ZINC000905426718 851932586 /nfs/dbraw/zinc/93/25/86/851932586.db2.gz ICWSTDAXYXFJLJ-LJQANCHMSA-N 2 0 363.502 1.085 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](NC(=O)NC4CC4)C3)cc2)CC1 ZINC000761227884 864457965 /nfs/dbraw/zinc/45/79/65/864457965.db2.gz CWQOTOIHVFRSHL-SFHVURJKSA-N 2 0 357.502 1.474 20 10 FDCDRP CC[NH+]1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000765979630 874064006 /nfs/dbraw/zinc/06/40/06/874064006.db2.gz MTRNFWRRBNCJPW-UHFFFAOYSA-N 2 0 351.516 1.495 20 10 FDCDRP C[NH+]1CCC[C@H]1C(=O)Nc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000923119192 888083112 /nfs/dbraw/zinc/08/31/12/888083112.db2.gz ZNGRXSZYGDPADV-HOTGVXAUSA-N 2 0 360.458 1.135 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCC4(CC[NH2+]4)CC3)CC2)cc1 ZINC000923379929 889055121 /nfs/dbraw/zinc/05/51/21/889055121.db2.gz CWJZGPRONUPVEO-IBGZPJMESA-N 2 0 374.529 1.006 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC000923381553 889058243 /nfs/dbraw/zinc/05/82/43/889058243.db2.gz JKUXVKMXAKLRBR-MISYRCLQSA-N 2 0 362.518 1.038 20 10 FDCDRP C[C@@H]1CN(CC[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000789766116 933169688 /nfs/dbraw/zinc/16/96/88/933169688.db2.gz UIWCERCUOHPNJZ-KDURUIRLSA-N 2 0 360.546 1.979 20 10 FDCDRP COCC(=O)NC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775655828 970956270 /nfs/dbraw/zinc/95/62/70/970956270.db2.gz LNHTZJWJHWFCHD-UHFFFAOYSA-N 2 0 360.502 1.165 20 10 FDCDRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000817939171 943088694 /nfs/dbraw/zinc/08/86/94/943088694.db2.gz ACOWWIIBAMKDQL-MAUKXSAKSA-N 2 0 362.518 1.663 20 10 FDCDRP CC1CCN(c2ccc(C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000819038281 943411084 /nfs/dbraw/zinc/41/10/84/943411084.db2.gz CEBDLLHEIMOXFZ-NRFANRHFSA-N 2 0 360.546 1.621 20 10 FDCDRP CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825280223 947103754 /nfs/dbraw/zinc/10/37/54/947103754.db2.gz YZOQVGLHBUDZLH-SFHVURJKSA-N 2 0 359.518 1.674 20 10 FDCDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000825275249 947140338 /nfs/dbraw/zinc/14/03/38/947140338.db2.gz CDNNNYDAQVMUEX-UHFFFAOYSA-N 2 0 351.491 1.915 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000844192033 947829469 /nfs/dbraw/zinc/82/94/69/947829469.db2.gz ZEQNIECSSGJODU-QFBILLFUSA-N 2 0 360.502 1.322 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2F)CC1 ZINC000863553318 973009875 /nfs/dbraw/zinc/00/98/75/973009875.db2.gz ZFKDIZSFTZTCQM-GOSISDBHSA-N 2 0 364.509 1.514 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCOCC(=O)OC(C)(C)C)cc2)CC1 ZINC000865683624 974419386 /nfs/dbraw/zinc/41/93/86/974419386.db2.gz FJOQSEBLMIGYIS-UHFFFAOYSA-N 2 0 363.502 1.886 20 10 FDCDRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CS1(=O)=O ZINC000850368884 978341943 /nfs/dbraw/zinc/34/19/43/978341943.db2.gz GHFVDVYKANMNDR-WBVHZDCISA-N 2 0 351.516 1.494 20 10 FDCDRP C[N@H+](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCSC1 ZINC000881851900 980214651 /nfs/dbraw/zinc/21/46/51/980214651.db2.gz DBDDVEVJKJSHNV-GOSISDBHSA-N 2 0 362.543 1.492 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000883083740 981930578 /nfs/dbraw/zinc/93/05/78/981930578.db2.gz XFAZMFQLFGCDEQ-UHFFFAOYSA-N 2 0 359.518 1.724 20 10 FDCDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883452438 982159591 /nfs/dbraw/zinc/15/95/91/982159591.db2.gz WMRCEQQIKBREDX-LJQANCHMSA-N 2 0 359.518 1.722 20 10 FDCDRP CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000872206270 987514624 /nfs/dbraw/zinc/51/46/24/987514624.db2.gz WJOANFCRZVADSY-FQEVSTJZSA-N 2 0 361.530 1.830 20 10 FDCDRP COc1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873047091 988476342 /nfs/dbraw/zinc/47/63/42/988476342.db2.gz RVHSWKZHFOXSHW-QGZVFWFLSA-N 2 0 357.502 1.666 20 10 FDCDRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CC1 ZINC000367669505 988959561 /nfs/dbraw/zinc/95/95/61/988959561.db2.gz LDJPWXDAPWIKJG-UHFFFAOYSA-N 2 0 372.557 1.983 20 10 FDCDRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876505953 992671509 /nfs/dbraw/zinc/67/15/09/992671509.db2.gz DFCQULFKAWZJNB-RBUKOAKNSA-N 2 0 356.470 1.447 20 10 FDCDRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877042401 993026993 /nfs/dbraw/zinc/02/69/93/993026993.db2.gz WAFCPGANJJTMDF-HXUWFJFHSA-N 2 0 361.530 1.974 20 10 FDCDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925779055 995765180 /nfs/dbraw/zinc/76/51/80/995765180.db2.gz ZIGUABKAMJJWHS-ZOCIIQOWSA-N 2 0 360.502 1.230 20 10 FDCDRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]21 ZINC000889658533 998507324 /nfs/dbraw/zinc/50/73/24/998507324.db2.gz GNJNUXCSVZZZJN-UYAOXDASSA-N 2 0 371.529 1.674 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@H+]3CC=CCC3)cc2)CC1 ZINC000889665494 998515169 /nfs/dbraw/zinc/51/51/69/998515169.db2.gz QCDSLCMPOQXBOX-UHFFFAOYSA-N 2 0 357.502 1.500 20 10 FDCDRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889666085 998516644 /nfs/dbraw/zinc/51/66/44/998516644.db2.gz DXEYXCUARKMNEH-IBGZPJMESA-N 2 0 373.545 1.922 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3=CC[N@H+](C)CC3)cc2)CC1 ZINC000889666822 998518021 /nfs/dbraw/zinc/51/80/21/998518021.db2.gz RSIROFIXLKLBLB-UHFFFAOYSA-N 2 0 357.502 1.500 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000288574396 1000028688 /nfs/dbraw/zinc/02/86/88/1000028688.db2.gz AXIOZDVVCPIHGH-UHFFFAOYSA-N 2 0 363.550 1.184 20 10 FDCDRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000236951952 537604727 /nfs/dbraw/zinc/60/47/27/537604727.db2.gz HQBMAMQYIIPDDC-KDOFPFPSSA-N 2 0 350.482 1.957 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2F)CC1 ZINC000891529166 778223476 /nfs/dbraw/zinc/22/34/76/778223476.db2.gz UXAAXOFGCATXAH-ZBFHGGJFSA-N 2 0 363.481 1.599 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2)CC1 ZINC000892938831 791799009 /nfs/dbraw/zinc/79/90/09/791799009.db2.gz DUHJWJLRHSOLHN-FXAWDEMLSA-N 2 0 357.502 1.189 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237831162 835300055 /nfs/dbraw/zinc/30/00/55/835300055.db2.gz HTFPNCYONAKOQB-SZMVWBNQSA-N 2 0 360.477 1.772 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000899102080 845774416 /nfs/dbraw/zinc/77/44/16/845774416.db2.gz JVURNBHFIUFGHA-VQIMIIECSA-N 2 0 361.534 1.948 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(NC(=O)C4CC4)CC3)cc2)CC1 ZINC000775647887 970786706 /nfs/dbraw/zinc/78/67/06/970786706.db2.gz GOTAVSIIGCUVGI-UHFFFAOYSA-N 2 0 356.514 1.929 20 10 FDCDRP Cn1cc(N2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cn1 ZINC000775696203 971546296 /nfs/dbraw/zinc/54/62/96/971546296.db2.gz IQSPIOJBZZSZAN-UHFFFAOYSA-N 2 0 354.502 1.494 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])CC2)cc1 ZINC000846225889 950737632 /nfs/dbraw/zinc/73/76/32/950737632.db2.gz HAVNQIUIACKFRH-FXAWDEMLSA-N 2 0 374.529 1.793 20 10 FDCDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000853248355 967943917 /nfs/dbraw/zinc/94/39/17/967943917.db2.gz SCOBCIJPZROBCK-UHFFFAOYSA-N 2 0 365.474 1.490 20 10 FDCDRP CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775642974 970738018 /nfs/dbraw/zinc/73/80/18/970738018.db2.gz QQOVSOLUMJHGPV-GOSISDBHSA-N 2 0 351.516 1.447 20 10 FDCDRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852276 980215353 /nfs/dbraw/zinc/21/53/53/980215353.db2.gz KBTUSIHZOAYXNN-KRWDZBQOSA-N 2 0 360.502 1.023 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000883358622 982094012 /nfs/dbraw/zinc/09/40/12/982094012.db2.gz OOLUQFSJENGFNE-GOSISDBHSA-N 2 0 359.518 1.579 20 10 FDCDRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[N@@H+]1C1CC1 ZINC000883505240 982225485 /nfs/dbraw/zinc/22/54/85/982225485.db2.gz YVZTTWZWVPGTNW-FUHWJXTLSA-N 2 0 371.529 1.863 20 10 FDCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614853509 555127966 /nfs/dbraw/zinc/12/79/66/555127966.db2.gz XTUDYZPPMCYLFF-MRXNPFEDSA-N 2 0 372.513 1.447 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CO[C@@H](C[NH3+])C4)CC3)cc2)CC1 ZINC000904391462 851174268 /nfs/dbraw/zinc/17/42/68/851174268.db2.gz GNBZIJVEGGHEFL-HXUWFJFHSA-N 3 0 358.530 1.768 20 10 FDCDRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911665209 858877005 /nfs/dbraw/zinc/87/70/05/858877005.db2.gz BCCYYAOYCUEGKB-RXVVDRJESA-N 2 0 368.481 1.678 20 10 FDCDRP C[NH2+]CCN(C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000923433786 889241307 /nfs/dbraw/zinc/24/13/07/889241307.db2.gz XSYCYMYVMJCTCX-IBGZPJMESA-N 2 0 364.534 1.108 20 10 FDCDRP COc1cc(Br)cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205208924 907337717 /nfs/dbraw/zinc/33/77/17/907337717.db2.gz GGVHCBRARNXROD-OAHLLOKOSA-N 2 0 359.264 1.839 20 10 FDCDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000771842102 930915224 /nfs/dbraw/zinc/91/52/24/930915224.db2.gz JFAIJUKBVUXPBZ-UHFFFAOYSA-N 3 0 360.546 1.763 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc2)CC1 ZINC000771841767 930915232 /nfs/dbraw/zinc/91/52/32/930915232.db2.gz KGLOKWOQIHTASQ-UHFFFAOYSA-N 2 0 353.532 1.741 20 10 FDCDRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817935554 943085803 /nfs/dbraw/zinc/08/58/03/943085803.db2.gz IGHAEYZAYMRNNO-MRXNPFEDSA-N 2 0 350.482 1.608 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000844192023 947829124 /nfs/dbraw/zinc/82/91/24/947829124.db2.gz YXFMANJNNJMFDF-QZTJIDSGSA-N 2 0 374.529 1.841 20 10 FDCDRP CC[C@]1(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000844192574 947831160 /nfs/dbraw/zinc/83/11/60/947831160.db2.gz ZAFJMLABHWANTO-OAQYLSRUSA-N 2 0 374.529 1.856 20 10 FDCDRP C[N@H+](CCCO)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775695846 971546398 /nfs/dbraw/zinc/54/63/98/971546398.db2.gz DHMONMXBVJLKLX-UHFFFAOYSA-N 2 0 360.546 1.717 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]CC3)cc2F)CC1 ZINC000846674398 951436968 /nfs/dbraw/zinc/43/69/68/951436968.db2.gz OQDLITFDTPDQOE-KRWDZBQOSA-N 2 0 362.493 1.974 20 10 FDCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001177725035 963939062 /nfs/dbraw/zinc/93/90/62/963939062.db2.gz ZMMMVBLOGLDMBH-HXUWFJFHSA-N 3 0 373.589 1.802 20 10 FDCDRP CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775642976 970737704 /nfs/dbraw/zinc/73/77/04/970737704.db2.gz QQOVSOLUMJHGPV-SFHVURJKSA-N 2 0 351.516 1.447 20 10 FDCDRP C[C@H]1CN(C(=[NH2+])NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCO1 ZINC000849095801 977313107 /nfs/dbraw/zinc/31/31/07/977313107.db2.gz NYIZIPDIXXJOBQ-KRWDZBQOSA-N 2 0 371.529 1.964 20 10 FDCDRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883331458 982074130 /nfs/dbraw/zinc/07/41/30/982074130.db2.gz YMYOJDQMYNSBTA-IBGZPJMESA-N 2 0 373.545 1.970 20 10 FDCDRP C[NH+](C)[C@@H]1C[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883767151 982454887 /nfs/dbraw/zinc/45/48/87/982454887.db2.gz UEQPTNKENNDKSA-IZAXUBKRSA-N 2 0 359.518 1.578 20 10 FDCDRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876505747 992671283 /nfs/dbraw/zinc/67/12/83/992671283.db2.gz AVHWUNKWYYNOHO-CWFSZBLJSA-N 2 0 370.497 1.801 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)cc2F)CC1 ZINC000876783627 992911112 /nfs/dbraw/zinc/91/11/12/992911112.db2.gz IGUHAAPFLYILLM-YJBOKZPZSA-N 2 0 366.456 1.531 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C[NH3+])cnn3C)cc2F)CC1 ZINC000876783963 992912220 /nfs/dbraw/zinc/91/22/20/992912220.db2.gz SALMZPIELRNQRX-UHFFFAOYSA-N 2 0 374.464 1.090 20 10 FDCDRP COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)C1 ZINC000877715676 993468279 /nfs/dbraw/zinc/46/82/79/993468279.db2.gz ZZXKAHOWLBCCTL-FQEVSTJZSA-N 2 0 372.469 1.332 20 10 FDCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000155126078 525754865 /nfs/dbraw/zinc/75/48/65/525754865.db2.gz NUJLZYVMGKOKDB-IAGOWNOFSA-N 2 0 364.509 1.949 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@H+](C)C(C)C)cc2F)CC1 ZINC000106829747 525800860 /nfs/dbraw/zinc/80/08/60/525800860.db2.gz OJYIEVDVOIXITQ-UHFFFAOYSA-N 2 0 350.482 1.924 20 10 FDCDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705038 538091077 /nfs/dbraw/zinc/09/10/77/538091077.db2.gz DHZVAZTXGZNNJS-DENIHFKCSA-N 2 0 372.557 1.981 20 10 FDCDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000219817170 672411741 /nfs/dbraw/zinc/41/17/41/672411741.db2.gz JMPJVSWCZUUHRW-LLVKDONJSA-N 2 0 356.264 1.442 20 10 FDCDRP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1OC ZINC000892152347 781798844 /nfs/dbraw/zinc/79/88/44/781798844.db2.gz GSWVPSVSDQLSQY-RDJZCZTQSA-N 2 0 363.502 1.867 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)cc2)CC1 ZINC000892940139 791819962 /nfs/dbraw/zinc/81/99/62/791819962.db2.gz RWJNVNDKBYNRPW-MOPGFXCFSA-N 2 0 357.502 1.474 20 10 FDCDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841955249 840213734 /nfs/dbraw/zinc/21/37/34/840213734.db2.gz XHIWBBJZZBHAGP-LJQANCHMSA-N 2 0 361.534 1.869 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)COc3ccccc3)cc2)CC1 ZINC000905427217 851932610 /nfs/dbraw/zinc/93/26/10/851932610.db2.gz LMEJOHDNGPFSIU-FQEVSTJZSA-N 2 0 355.482 1.968 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3nnc4ccccn43)cc2)CC1 ZINC000922393279 878027578 /nfs/dbraw/zinc/02/75/78/878027578.db2.gz BKTDRNRXCMIGJJ-UHFFFAOYSA-N 2 0 350.470 1.813 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN(C3CC3)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000923329672 888893101 /nfs/dbraw/zinc/89/31/01/888893101.db2.gz NOCYWIKEWNPRMC-WOJBJXKFSA-N 2 0 374.529 1.004 20 10 FDCDRP COC(=O)CC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000771843513 930915245 /nfs/dbraw/zinc/91/52/45/930915245.db2.gz QJTGTTZQKDGUPB-UHFFFAOYSA-N 2 0 361.486 1.640 20 10 FDCDRP CSCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)N(C)C ZINC000808438488 940547460 /nfs/dbraw/zinc/54/74/60/940547460.db2.gz FXLSDFJGVBKNGB-SFHVURJKSA-N 2 0 364.559 1.738 20 10 FDCDRP Cn1cc([C@@H]2CN(Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]2[NH3+])cn1 ZINC000818431936 943238918 /nfs/dbraw/zinc/23/89/18/943238918.db2.gz WYIGBUZEHUNVDX-VQTJNVASSA-N 2 0 354.502 1.099 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](C)CC[NH2+]3)cc2F)CC1 ZINC000844190814 947826303 /nfs/dbraw/zinc/82/63/03/947826303.db2.gz RCGQBPIJBPKSLA-CRAIPNDOSA-N 2 0 362.493 1.972 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000844192204 947830373 /nfs/dbraw/zinc/83/03/73/947830373.db2.gz IKNUBHCLPAWKSI-QGZVFWFLSA-N 2 0 360.502 1.323 20 10 FDCDRP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000844220863 947851071 /nfs/dbraw/zinc/85/10/71/947851071.db2.gz NBZZGQLLVOMRDK-UHFFFAOYSA-N 2 0 362.518 1.541 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)CC[N@@H+]2CC[C@H](F)C2)[NH+](C)C)cc1 ZINC001180178557 965128023 /nfs/dbraw/zinc/12/80/23/965128023.db2.gz CQAHYEVFDZVMBD-FUHWJXTLSA-N 2 0 350.482 1.905 20 10 FDCDRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850353878 978331349 /nfs/dbraw/zinc/33/13/49/978331349.db2.gz PAESAESRYVWLBI-IBGZPJMESA-N 3 0 361.578 1.800 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CC(C)(C)O)cc2F)CC1 ZINC000872199755 987511240 /nfs/dbraw/zinc/51/12/40/987511240.db2.gz CUASBXHDSFZSSD-MRXNPFEDSA-N 2 0 353.482 1.579 20 10 FDCDRP COc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873044647 988471738 /nfs/dbraw/zinc/47/17/38/988471738.db2.gz UEIOZPGKQDUCGP-QGZVFWFLSA-N 2 0 357.502 1.666 20 10 FDCDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876931123 992972594 /nfs/dbraw/zinc/97/25/94/992972594.db2.gz JGGPIRWOFGTCEA-GOSISDBHSA-N 2 0 360.546 1.763 20 10 FDCDRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000876945576 992976978 /nfs/dbraw/zinc/97/69/78/992976978.db2.gz FRMQYHFUKGSTAT-UHFFFAOYSA-N 2 0 365.493 1.987 20 10 FDCDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4COC[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000925778384 995764219 /nfs/dbraw/zinc/76/42/19/995764219.db2.gz VEPRMZQRRTXLJS-NXWIVVFCSA-N 2 0 372.513 1.230 20 10 FDCDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000925779049 995764645 /nfs/dbraw/zinc/76/46/45/995764645.db2.gz ZIGUABKAMJJWHS-JVPBZIDWSA-N 2 0 360.502 1.230 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCCNc3cc[nH+]cc3)cc2)CC1 ZINC000889669636 998519449 /nfs/dbraw/zinc/51/94/49/998519449.db2.gz QBNVDAMMFRYNOL-UHFFFAOYSA-N 2 0 368.485 1.167 20 10 FDCDRP CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669451 998519597 /nfs/dbraw/zinc/51/95/97/998519597.db2.gz JZLQWSCWFKSLLT-UHFFFAOYSA-N 2 0 359.518 1.676 20 10 FDCDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000219817235 672411838 /nfs/dbraw/zinc/41/18/38/672411838.db2.gz JMPJVSWCZUUHRW-NSHDSACASA-N 2 0 356.264 1.442 20 10 FDCDRP CC[NH+]1CCN(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891252445 774136241 /nfs/dbraw/zinc/13/62/41/774136241.db2.gz LSAPAQLWYXTXGW-LJQANCHMSA-N 2 0 361.534 1.109 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000892584186 787467640 /nfs/dbraw/zinc/46/76/40/787467640.db2.gz HTZTZVPMEUHCTJ-REPLKXPHSA-N 2 0 371.529 1.768 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC000892939776 791814160 /nfs/dbraw/zinc/81/41/60/791814160.db2.gz ORASSGIUVNTZJZ-NRFANRHFSA-N 2 0 371.529 1.724 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)cc2)CC1 ZINC000892940145 791819858 /nfs/dbraw/zinc/81/98/58/791819858.db2.gz RWJNVNDKBYNRPW-RTBURBONSA-N 2 0 357.502 1.474 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)CC3)cc2)CC1 ZINC000895607578 822670144 /nfs/dbraw/zinc/67/01/44/822670144.db2.gz QGFBZARBLPPFGD-KRWDZBQOSA-N 2 0 351.516 1.495 20 10 FDCDRP COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(F)F ZINC000895605945 822676565 /nfs/dbraw/zinc/67/65/65/822676565.db2.gz BYYLBRXPEJSDSQ-JKSUJKDBSA-N 2 0 353.413 1.582 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCN(c4cc(=O)[nH]cn4)C3)cc2)CC1 ZINC000898154462 840832868 /nfs/dbraw/zinc/83/28/68/840832868.db2.gz DHWRUHDJXBUPKC-KRWDZBQOSA-N 2 0 368.485 1.303 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCC3)cc2F)CC1 ZINC000905098397 851680583 /nfs/dbraw/zinc/68/05/83/851680583.db2.gz SPHQJCWAFVGJKL-SFHVURJKSA-N 2 0 351.466 1.333 20 10 FDCDRP C[NH2+]CCN(C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000923433787 889240770 /nfs/dbraw/zinc/24/07/70/889240770.db2.gz XSYCYMYVMJCTCX-LJQANCHMSA-N 2 0 364.534 1.108 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(S(C)(=O)=O)CC3)cc2)CC1 ZINC001169858143 928935553 /nfs/dbraw/zinc/93/55/53/928935553.db2.gz ZCZFQZNICYXATG-UHFFFAOYSA-N 2 0 365.543 1.884 20 10 FDCDRP CN(CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000809735079 940888088 /nfs/dbraw/zinc/88/80/88/940888088.db2.gz WUSVWDFYPHUQRT-UHFFFAOYSA-N 2 0 360.546 1.981 20 10 FDCDRP CCOCC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000819034219 943409442 /nfs/dbraw/zinc/40/94/42/943409442.db2.gz XEQYJTSTWFANCT-QGZVFWFLSA-N 2 0 353.482 1.845 20 10 FDCDRP Cn1cc(CN2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cn1 ZINC000775679283 971374412 /nfs/dbraw/zinc/37/44/12/971374412.db2.gz UVXVBGMYDGXKIX-UHFFFAOYSA-N 2 0 368.529 1.490 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc2)CC1 ZINC000775685327 971375618 /nfs/dbraw/zinc/37/56/18/971375618.db2.gz HERZYTWPUORAPY-QFIPXVFZSA-N 2 0 371.573 1.650 20 10 FDCDRP O[C@@H](CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C[NH+]1CCCC1 ZINC000863553733 973010990 /nfs/dbraw/zinc/01/09/90/973010990.db2.gz IZTCXQBYHFIJPM-QFIPXVFZSA-N 2 0 372.557 1.765 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CC(C)(C)[NH3+])cc2F)CC1 ZINC000851656742 978986591 /nfs/dbraw/zinc/98/65/91/978986591.db2.gz PQKVBIMPOFBMKH-UHFFFAOYSA-N 2 0 365.497 1.846 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CCCS3(=O)=O)cc2)CC1 ZINC000883297907 982055338 /nfs/dbraw/zinc/05/53/38/982055338.db2.gz CMOLDMJPARJQST-SFHVURJKSA-N 2 0 351.516 1.495 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc2)CC1 ZINC000883575022 982276629 /nfs/dbraw/zinc/27/66/29/982276629.db2.gz VWZWDKCTRRDFRF-HNNXBMFYSA-N 2 0 373.423 1.517 20 10 FDCDRP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872255346 987547724 /nfs/dbraw/zinc/54/77/24/987547724.db2.gz CIEYCXDIYWLEDO-IGBSGPOWSA-N 2 0 356.470 1.633 20 10 FDCDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877406720 993275586 /nfs/dbraw/zinc/27/55/86/993275586.db2.gz WJNSTGIWAVQTNJ-GOSISDBHSA-N 2 0 360.546 1.763 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000889659281 998508518 /nfs/dbraw/zinc/50/85/18/998508518.db2.gz TWHCAWIWSJKIJO-UHFFFAOYSA-N 2 0 359.518 1.674 20 10 FDCDRP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889665712 998514557 /nfs/dbraw/zinc/51/45/57/998514557.db2.gz VTEZJMCEKDYJGS-SFHVURJKSA-N 2 0 359.518 1.532 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2)CC1 ZINC000889669584 998519279 /nfs/dbraw/zinc/51/92/79/998519279.db2.gz NOAPGRYOTMEJAG-HXUWFJFHSA-N 2 0 369.513 1.594 20 10 FDCDRP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889669175 998519643 /nfs/dbraw/zinc/51/96/43/998519643.db2.gz AISWEKCOGDLVTR-LJQANCHMSA-N 2 0 359.518 1.674 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2F)CC1 ZINC000279896840 537357967 /nfs/dbraw/zinc/35/79/67/537357967.db2.gz JBKSOQLERQAUMO-RDJZCZTQSA-N 2 0 362.493 1.972 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(=O)[nH]n3)cc2F)CC1 ZINC000285506346 537722714 /nfs/dbraw/zinc/72/27/14/537722714.db2.gz AKUCEQIYAAFHML-AWEZNQCLSA-N 2 0 359.449 1.902 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)[NH+](C)C)cc1 ZINC000891245250 774078666 /nfs/dbraw/zinc/07/86/66/774078666.db2.gz BGLDGFRZZMKDBR-RTBURBONSA-N 2 0 360.502 1.192 20 10 FDCDRP COc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(O)c1OC ZINC000892535018 786926449 /nfs/dbraw/zinc/92/64/49/786926449.db2.gz CTJCOKOKHBWJPA-INIZCTEOSA-N 2 0 351.491 1.771 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000892940445 791816358 /nfs/dbraw/zinc/81/63/58/791816358.db2.gz WZBUUDYSMSTMGV-SXLOBPIMSA-N 2 0 371.529 1.707 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000893018957 792495243 /nfs/dbraw/zinc/49/52/43/792495243.db2.gz OHNBMTNGMLTCAC-VQIMIIECSA-N 2 0 359.518 1.891 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000364144696 795282474 /nfs/dbraw/zinc/28/24/74/795282474.db2.gz WJFBVPFJLRTDRB-IRXDYDNUSA-N 2 0 360.477 1.726 20 10 FDCDRP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925679258 795844986 /nfs/dbraw/zinc/84/49/86/795844986.db2.gz ZOODXEBRZAPIIW-IBGZPJMESA-N 2 0 356.514 1.833 20 10 FDCDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000760702367 862812131 /nfs/dbraw/zinc/81/21/31/862812131.db2.gz JJJOURAXYYNZKY-UHFFFAOYSA-N 2 0 365.493 1.987 20 10 FDCDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)C1 ZINC000765978851 874170349 /nfs/dbraw/zinc/17/03/49/874170349.db2.gz QEMKPPORDCCCPF-APWZRJJASA-N 2 0 365.543 1.741 20 10 FDCDRP C[NH+](C)CCn1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000918846956 884967614 /nfs/dbraw/zinc/96/76/14/884967614.db2.gz WVCSWFLPLSDBPN-UHFFFAOYSA-N 2 0 370.501 1.127 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCC(=O)NCc3cccnc3)cc2)CC1 ZINC000771817592 930924791 /nfs/dbraw/zinc/92/47/91/930924791.db2.gz AHIIAPZXJGFRPS-UHFFFAOYSA-N 2 0 367.497 1.630 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)cc2)CC1 ZINC000775659843 970994423 /nfs/dbraw/zinc/99/44/23/970994423.db2.gz PJFGHRVKJTZJAR-OAQYLSRUSA-N 2 0 358.530 1.735 20 10 FDCDRP C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnccc1N ZINC000854220957 968695866 /nfs/dbraw/zinc/69/58/66/968695866.db2.gz CVLMWWWQWFXELB-CQSZACIVSA-N 2 0 360.483 1.580 20 10 FDCDRP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775643608 970748364 /nfs/dbraw/zinc/74/83/64/970748364.db2.gz SOMAGOYKZODNEX-IBGZPJMESA-N 2 0 365.543 1.838 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000883416277 982127856 /nfs/dbraw/zinc/12/78/56/982127856.db2.gz QOUVHNTUGBYFQZ-QGZVFWFLSA-N 2 0 357.502 1.474 20 10 FDCDRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883514713 982233275 /nfs/dbraw/zinc/23/32/75/982233275.db2.gz OYWRAIKGPULZEM-OXJNMPFZSA-N 2 0 371.529 1.720 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N(C)C[C@H](C)[NH3+])cc2F)CC1 ZINC000861574327 983783234 /nfs/dbraw/zinc/78/32/34/983783234.db2.gz RYENWJYFNNPRIL-AWEZNQCLSA-N 2 0 351.470 1.456 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000363728260 989411320 /nfs/dbraw/zinc/41/13/20/989411320.db2.gz HTFPNCYONAKOQB-JQHSSLGASA-N 2 0 360.477 1.772 20 10 FDCDRP COc1cc(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OC ZINC000371357862 990378929 /nfs/dbraw/zinc/37/89/29/990378929.db2.gz RULXNBOKGSMFAF-RDJZCZTQSA-N 2 0 363.502 1.867 20 10 FDCDRP C[NH+](C)C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH+](C)C ZINC000877669177 993427865 /nfs/dbraw/zinc/42/78/65/993427865.db2.gz WWGBXXFTVFXIOQ-WOJBJXKFSA-N 2 0 360.546 1.694 20 10 FDCDRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@@H]21 ZINC000889658532 998507118 /nfs/dbraw/zinc/50/71/18/998507118.db2.gz GNJNUXCSVZZZJN-QUCCMNQESA-N 2 0 371.529 1.674 20 10 FDCDRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889666086 998516896 /nfs/dbraw/zinc/51/68/96/998516896.db2.gz DXEYXCUARKMNEH-LJQANCHMSA-N 2 0 373.545 1.922 20 10 FDCDRP CC[C@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[NH+](C)C ZINC000164650938 525522138 /nfs/dbraw/zinc/52/21/38/525522138.db2.gz ABXYUUQCLAUKNT-QGZVFWFLSA-N 2 0 350.482 1.924 20 10 FDCDRP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000294958273 676398853 /nfs/dbraw/zinc/39/88/53/676398853.db2.gz FTEWEKFWHKKTFJ-HNNXBMFYSA-N 2 0 350.482 1.972 20 10 FDCDRP COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(F)F ZINC000895605943 822676735 /nfs/dbraw/zinc/67/67/35/822676735.db2.gz BYYLBRXPEJSDSQ-HOTGVXAUSA-N 2 0 353.413 1.582 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCC4(CC[NH2+]4)CC3)CC2)cc1 ZINC000923379930 889055001 /nfs/dbraw/zinc/05/50/01/889055001.db2.gz CWJZGPRONUPVEO-LJQANCHMSA-N 2 0 374.529 1.006 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCC[C@@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC000923417305 889155255 /nfs/dbraw/zinc/15/52/55/889155255.db2.gz WXUHTLMZRPBETD-JBACZVJFSA-N 2 0 374.529 1.004 20 10 FDCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)NCc1ccco1 ZINC000771836518 930909813 /nfs/dbraw/zinc/90/98/13/930909813.db2.gz ZHVZOIPJZSPSOS-MRXNPFEDSA-N 2 0 356.470 1.826 20 10 FDCDRP C[NH+](C)CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCCO1 ZINC000809737903 940893709 /nfs/dbraw/zinc/89/37/09/940893709.db2.gz OUMLGTKYPZJJOQ-NRFANRHFSA-N 2 0 360.546 1.981 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000775646844 970797632 /nfs/dbraw/zinc/79/76/32/970797632.db2.gz OYNOQTVEKPMFPX-OAQYLSRUSA-N 2 0 358.530 1.735 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000846225036 950735702 /nfs/dbraw/zinc/73/57/02/950735702.db2.gz IUQAEVMUXZNWLM-NSHGMRRFSA-N 2 0 374.529 1.587 20 10 FDCDRP COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776811542 970329030 /nfs/dbraw/zinc/32/90/30/970329030.db2.gz AVGHPNJEVQGWJX-WOJBJXKFSA-N 2 0 363.502 1.349 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@@H+]3CC[C@H](C)C3)cc2F)CC1 ZINC000847454632 975646329 /nfs/dbraw/zinc/64/63/29/975646329.db2.gz LLSNNAHFPYYVLR-INIZCTEOSA-N 2 0 362.493 1.926 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000883135937 981971701 /nfs/dbraw/zinc/97/17/01/981971701.db2.gz QEXMFOCNWBTSBY-SFHVURJKSA-N 2 0 371.529 1.722 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)N(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000861549683 983775407 /nfs/dbraw/zinc/77/54/07/983775407.db2.gz NHCPYMMXVVFQBC-INIZCTEOSA-N 2 0 363.506 1.196 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cc2F)CC1 ZINC000874440192 990282272 /nfs/dbraw/zinc/28/22/72/990282272.db2.gz ZJWFMFRMTJBTBH-KRWDZBQOSA-N 2 0 362.493 1.926 20 10 FDCDRP C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CN1CC[NH+](C)CC1 ZINC000877018140 993013476 /nfs/dbraw/zinc/01/34/76/993013476.db2.gz ZCVKBBSBDDNCQM-SFHVURJKSA-N 2 0 360.546 1.621 20 10 FDCDRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877636983 993399067 /nfs/dbraw/zinc/39/90/67/993399067.db2.gz MCHWSPMFPXVOHU-UHFFFAOYSA-N 2 0 361.530 1.973 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C3([NH3+])CCCCC3)CC2)cc1 ZINC000269239767 999466158 /nfs/dbraw/zinc/46/61/58/999466158.db2.gz AQSHVIBAOAFWLF-UHFFFAOYSA-N 2 0 374.529 1.985 20 10 FDCDRP COc1cc(O)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1OC ZINC000289455311 1000100075 /nfs/dbraw/zinc/10/00/75/1000100075.db2.gz NRBZUNZZWPTJCW-UHFFFAOYSA-N 2 0 363.502 1.869 20 10 FDCDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092615670 1007257570 /nfs/dbraw/zinc/25/75/70/1007257570.db2.gz ORDAAKOPNNRTTP-UHFFFAOYSA-N 2 0 374.529 1.413 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000892266087 782975363 /nfs/dbraw/zinc/97/53/63/782975363.db2.gz AHNMINBJKKGLBK-GOSISDBHSA-N 2 0 357.502 1.380 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000892901696 791598824 /nfs/dbraw/zinc/59/88/24/791598824.db2.gz BLAJHGRMZHMWIP-VQIMIIECSA-N 2 0 361.534 1.996 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000892901692 791599112 /nfs/dbraw/zinc/59/91/12/791599112.db2.gz BLAJHGRMZHMWIP-LPHOPBHVSA-N 2 0 361.534 1.996 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2)CC1 ZINC000892940441 791814612 /nfs/dbraw/zinc/81/46/12/791814612.db2.gz WVVMWLGOCJXRMH-RXVVDRJESA-N 2 0 371.529 1.709 20 10 FDCDRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892939938 791815757 /nfs/dbraw/zinc/81/57/57/791815757.db2.gz RLGUFZWNJDHRFX-IBGZPJMESA-N 2 0 359.518 1.578 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000892940467 791822974 /nfs/dbraw/zinc/82/29/74/791822974.db2.gz YDEDDZVFYQHOPO-GOSISDBHSA-N 2 0 359.518 1.709 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000364144699 795282361 /nfs/dbraw/zinc/28/23/61/795282361.db2.gz WJFBVPFJLRTDRB-SJORKVTESA-N 2 0 360.477 1.726 20 10 FDCDRP CN1CCCc2cc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000154294592 883128241 /nfs/dbraw/zinc/12/82/41/883128241.db2.gz PDCAGVMWLBCPPT-UHFFFAOYSA-N 2 0 361.534 1.704 20 10 FDCDRP COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+])CC2)cc1 ZINC000923294022 888786540 /nfs/dbraw/zinc/78/65/40/888786540.db2.gz DDXPXHBCMAJLSZ-SFHVURJKSA-N 2 0 364.534 1.095 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000923400663 889136715 /nfs/dbraw/zinc/13/67/15/889136715.db2.gz XLQUZSVFAFPVBF-UYAOXDASSA-N 2 0 374.529 1.052 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)CC2)cc1 ZINC000923501309 889519371 /nfs/dbraw/zinc/51/93/71/889519371.db2.gz QFYKOTGPLFNAEX-DLBZAZTESA-N 2 0 360.502 1.261 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000844225498 947861058 /nfs/dbraw/zinc/86/10/58/947861058.db2.gz BSWADNAKXDGMEL-QUCCMNQESA-N 2 0 374.529 1.587 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2F)CC1 ZINC000863553319 973010404 /nfs/dbraw/zinc/01/04/04/973010404.db2.gz ZFKDIZSFTZTCQM-SFHVURJKSA-N 2 0 364.509 1.514 20 10 FDCDRP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001200089009 974675363 /nfs/dbraw/zinc/67/53/63/974675363.db2.gz OTFGGGOJJQKSHK-UHFFFAOYSA-N 2 0 374.529 1.556 20 10 FDCDRP Oc1cc2c(cc1C[NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)OCO2 ZINC000850357874 978334487 /nfs/dbraw/zinc/33/44/87/978334487.db2.gz WZJCVXILDACPMZ-KRWDZBQOSA-N 2 0 356.422 1.977 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883133931 981970713 /nfs/dbraw/zinc/97/07/13/981970713.db2.gz KZLLKQPYFWKTCK-QUCCMNQESA-N 2 0 371.529 1.864 20 10 FDCDRP C[NH+]1CCC(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000883333093 982078522 /nfs/dbraw/zinc/07/85/22/982078522.db2.gz LFKKMGMBHVMZEY-UHFFFAOYSA-N 2 0 359.518 1.579 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]([NH3+])CC3CC3)CC2)cc1 ZINC000884233187 983007533 /nfs/dbraw/zinc/00/75/33/983007533.db2.gz LEMMHRSZWZTHPK-LJQANCHMSA-N 2 0 360.502 1.451 20 10 FDCDRP CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1O ZINC000079409102 523746224 /nfs/dbraw/zinc/74/62/24/523746224.db2.gz YKCDXTFIGMTUHT-UHFFFAOYSA-N 2 0 365.449 1.624 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNc3ccc(OC4C[NH2+]C4)cn3)cc2)CC1 ZINC001167437402 774927882 /nfs/dbraw/zinc/92/78/82/774927882.db2.gz UWEXCALNAZWSOK-UHFFFAOYSA-N 2 0 353.470 1.796 20 10 FDCDRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000891739676 779224734 /nfs/dbraw/zinc/22/47/34/779224734.db2.gz UNDBVQHKAMYDMS-QFBILLFUSA-N 2 0 371.529 1.850 20 10 FDCDRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000891739677 779224966 /nfs/dbraw/zinc/22/49/66/779224966.db2.gz UNDBVQHKAMYDMS-VQIMIIECSA-N 2 0 371.529 1.850 20 10 FDCDRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892939940 791815868 /nfs/dbraw/zinc/81/58/68/791815868.db2.gz RLGUFZWNJDHRFX-LJQANCHMSA-N 2 0 359.518 1.578 20 10 FDCDRP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(O)c1OC ZINC000893013025 792466812 /nfs/dbraw/zinc/46/68/12/792466812.db2.gz QHSTVOZJXRCDQX-AWEZNQCLSA-N 2 0 350.459 2.000 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)[NH+](C)C)cc1 ZINC000899095357 845755660 /nfs/dbraw/zinc/75/56/60/845755660.db2.gz IFXQIOGNAKMAPW-QXAKKESOSA-N 2 0 359.518 1.701 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C[NH+]3CCOCC3)cc2)CC1 ZINC000918913498 885022297 /nfs/dbraw/zinc/02/22/97/885022297.db2.gz MGOMRHRJENPSPI-UHFFFAOYSA-N 2 0 374.529 1.413 20 10 FDCDRP CCC[N@H+](C)CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730286654 916478183 /nfs/dbraw/zinc/47/81/83/916478183.db2.gz UEKPERZCAQNSDH-UHFFFAOYSA-N 2 0 350.482 1.926 20 10 FDCDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCc1ccc(O)c(O)c1 ZINC001182154972 961502428 /nfs/dbraw/zinc/50/24/28/961502428.db2.gz QEVJHFGFEWNVFL-UHFFFAOYSA-N 2 0 351.491 1.762 20 10 FDCDRP COc1cc(Br)cc(C[N@H+](C)CCN2CC[NH+](C)CC2)c1O ZINC001204339803 961957358 /nfs/dbraw/zinc/95/73/58/961957358.db2.gz UNQWDCOXASXGCY-UHFFFAOYSA-N 2 0 372.307 1.843 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000863576193 973028098 /nfs/dbraw/zinc/02/80/98/973028098.db2.gz UQUADFPMBXGXRF-FQEVSTJZSA-N 2 0 374.529 1.459 20 10 FDCDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000882985056 981861615 /nfs/dbraw/zinc/86/16/15/981861615.db2.gz FHWWYDFFHAIUST-UHFFFAOYSA-N 2 0 360.546 1.765 20 10 FDCDRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876925678 992970173 /nfs/dbraw/zinc/97/01/73/992970173.db2.gz BTPFSIIBDUTJRU-UHFFFAOYSA-N 2 0 360.546 1.763 20 10 FDCDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877406721 993275824 /nfs/dbraw/zinc/27/58/24/993275824.db2.gz WJNSTGIWAVQTNJ-SFHVURJKSA-N 2 0 360.546 1.763 20 10 FDCDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877526878 993320987 /nfs/dbraw/zinc/32/09/87/993320987.db2.gz MKAGVKQSSLIWLD-UHFFFAOYSA-N 2 0 360.546 1.717 20 10 FDCDRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000878358721 993922260 /nfs/dbraw/zinc/92/22/60/993922260.db2.gz SWSPROASMUPJDR-INIZCTEOSA-N 2 0 360.502 1.384 20 10 FDCDRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]21 ZINC000889658530 998507184 /nfs/dbraw/zinc/50/71/84/998507184.db2.gz GNJNUXCSVZZZJN-AZUAARDMSA-N 2 0 371.529 1.674 20 10 FDCDRP COc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(O)c1OC ZINC000894454663 818065931 /nfs/dbraw/zinc/06/59/31/818065931.db2.gz ZHTQSGQKFYKZKZ-UHFFFAOYSA-N 2 0 351.491 1.867 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000729510239 820087787 /nfs/dbraw/zinc/08/77/87/820087787.db2.gz KKCMBWHHZXJXGE-KRWDZBQOSA-N 2 0 360.502 1.275 20 10 FDCDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896678750 824800792 /nfs/dbraw/zinc/80/07/92/824800792.db2.gz ANJPNKRKMPKTLO-UHFFFAOYSA-N 2 0 351.472 1.878 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000899102071 845774595 /nfs/dbraw/zinc/77/45/95/845774595.db2.gz JVURNBHFIUFGHA-APWZRJJASA-N 2 0 361.534 1.948 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C3(O)CCC3)cc2F)CC1 ZINC000905098396 851680461 /nfs/dbraw/zinc/68/04/61/851680461.db2.gz SPHQJCWAFVGJKL-GOSISDBHSA-N 2 0 351.466 1.333 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=S)NCC[NH+](C)C)cc2F)CC1 ZINC000730156762 916213326 /nfs/dbraw/zinc/21/33/26/916213326.db2.gz LULWWPGCMIZQOJ-UHFFFAOYSA-N 2 0 367.538 1.493 20 10 FDCDRP COc1cc(O)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1OC ZINC000816620883 942280231 /nfs/dbraw/zinc/28/02/31/942280231.db2.gz PKDZGOCNFYVWKE-UHFFFAOYSA-N 2 0 365.474 1.491 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2F)CC1 ZINC000817902515 943070949 /nfs/dbraw/zinc/07/09/49/943070949.db2.gz SAOSZBUIVZIHFJ-VDZJLULYSA-N 3 0 364.509 1.810 20 10 FDCDRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817946302 943090955 /nfs/dbraw/zinc/09/09/55/943090955.db2.gz VVPZMWVEOZQVIO-CYBMUJFWSA-N 2 0 356.264 1.627 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)Cn3cccn3)cc2F)CC1 ZINC000819032490 943408989 /nfs/dbraw/zinc/40/89/89/943408989.db2.gz IVWLEGXPQIAQEY-KRWDZBQOSA-N 2 0 361.465 1.315 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000775676137 971357759 /nfs/dbraw/zinc/35/77/59/971357759.db2.gz MGDROGNFBDOZKA-SFTDATJTSA-N 2 0 358.530 1.469 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[NH+]3CCC4(CC[NH2+]C4)CC3)CC2)cc1 ZINC000844223706 947857057 /nfs/dbraw/zinc/85/70/57/947857057.db2.gz ADXOFOOMKOFVDK-UHFFFAOYSA-N 2 0 372.513 1.419 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](CC4CCOCC4)CC3)cc2)CC1 ZINC000775696169 971546338 /nfs/dbraw/zinc/54/63/38/971546338.db2.gz XZACRJVTDUTTIW-UHFFFAOYSA-N 2 0 372.557 1.983 20 10 FDCDRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852277 980215064 /nfs/dbraw/zinc/21/50/64/980215064.db2.gz KBTUSIHZOAYXNN-QGZVFWFLSA-N 2 0 360.502 1.023 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc2)CC1 ZINC000883574965 982277011 /nfs/dbraw/zinc/27/70/11/982277011.db2.gz ULYNGUBUMPMEAP-AWEZNQCLSA-N 2 0 359.396 1.127 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2F)CC1 ZINC000870883591 986458205 /nfs/dbraw/zinc/45/82/05/986458205.db2.gz BOAFSEWEJYUSGM-GUXCAODWSA-N 2 0 360.477 1.711 20 10 FDCDRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876505952 992670944 /nfs/dbraw/zinc/67/09/44/992670944.db2.gz DFCQULFKAWZJNB-OALUTQOASA-N 2 0 356.470 1.447 20 10 FDCDRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000127815721 994978906 /nfs/dbraw/zinc/97/89/06/994978906.db2.gz ZVAJMHXGUXFECI-DLBZAZTESA-N 2 0 364.509 1.949 20 10 FDCDRP COc1ccc(O)c(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)c1 ZINC000368402369 537979634 /nfs/dbraw/zinc/97/96/34/537979634.db2.gz KSGGVZCKXVYJLA-UHFFFAOYSA-N 2 0 373.501 1.874 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)COC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000891243140 774048244 /nfs/dbraw/zinc/04/82/44/774048244.db2.gz JCYVMKNRRSRBQM-IBGZPJMESA-N 2 0 362.518 1.582 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)c2ccnn2CC[NH+](C)C)[NH+](C)C)cc1 ZINC000891250552 774115333 /nfs/dbraw/zinc/11/53/33/774115333.db2.gz WWRNJOLMDXCISN-IBGZPJMESA-N 2 0 372.517 1.543 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000892030919 781286331 /nfs/dbraw/zinc/28/63/31/781286331.db2.gz PTHZPXBVBFNWAG-FQEVSTJZSA-N 2 0 367.497 1.938 20 10 FDCDRP COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(F)F ZINC000895605942 822676587 /nfs/dbraw/zinc/67/65/87/822676587.db2.gz BYYLBRXPEJSDSQ-CVEARBPZSA-N 2 0 353.413 1.582 20 10 FDCDRP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000896443774 824416748 /nfs/dbraw/zinc/41/67/48/824416748.db2.gz CIGYFAJLFSQXFH-HDICACEKSA-N 2 0 357.502 1.141 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000904518329 851271656 /nfs/dbraw/zinc/27/16/56/851271656.db2.gz LKRPBIUTIKDMCK-ZIAGYGMSSA-N 2 0 361.412 1.544 20 10 FDCDRP COc1ccc(N2CCN(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CC2)cc1 ZINC000817893231 943067898 /nfs/dbraw/zinc/06/78/98/943067898.db2.gz FSTKCCVYFLOPDO-NSISKUIASA-N 2 0 362.518 1.159 20 10 FDCDRP Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1O ZINC000817946543 943090442 /nfs/dbraw/zinc/09/04/42/943090442.db2.gz YWFWYFGAWCHKQS-NSHDSACASA-N 2 0 356.264 1.546 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)CC2)cc1 ZINC000844192042 947828896 /nfs/dbraw/zinc/82/88/96/947828896.db2.gz ZRMOBBZLPQWEEN-FXAWDEMLSA-N 2 0 374.529 1.712 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cc1 ZINC000844191633 947830331 /nfs/dbraw/zinc/83/03/31/947830331.db2.gz NJSZRMJKIYPINJ-LZQZEXGQSA-N 2 0 358.486 1.074 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000846227486 950746192 /nfs/dbraw/zinc/74/61/92/950746192.db2.gz SUAQBRUIZMPAGI-RLLQIKCJSA-N 2 0 374.529 1.730 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000852792243 967611005 /nfs/dbraw/zinc/61/10/05/967611005.db2.gz SZUUKFRULOXGAI-MRXNPFEDSA-N 2 0 357.458 1.637 20 10 FDCDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883514715 982233028 /nfs/dbraw/zinc/23/30/28/982233028.db2.gz OYWRAIKGPULZEM-UZLBHIALSA-N 2 0 371.529 1.720 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)CC[NH2+]CC3CC3)cc2F)CC1 ZINC000870884217 986459451 /nfs/dbraw/zinc/45/94/51/986459451.db2.gz PWVXRWXXCZNGDT-UHFFFAOYSA-N 2 0 362.493 1.974 20 10 FDCDRP CCN1CCO[C@H](CN2CC[NH+]([C@@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631104 989686684 /nfs/dbraw/zinc/68/66/84/989686684.db2.gz ONOKGCYKIDEURV-WMZOPIPTSA-N 2 0 363.502 1.800 20 10 FDCDRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877022108 993015582 /nfs/dbraw/zinc/01/55/82/993015582.db2.gz PCCRQWKNZBYUGH-SFHVURJKSA-N 2 0 374.529 1.325 20 10 FDCDRP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889665711 998514830 /nfs/dbraw/zinc/51/48/30/998514830.db2.gz VTEZJMCEKDYJGS-GOSISDBHSA-N 2 0 359.518 1.532 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)cc2F)CC1 ZINC000270656354 999594075 /nfs/dbraw/zinc/59/40/75/999594075.db2.gz LHMPSKCPUSXMHI-QGZVFWFLSA-N 2 0 374.504 1.974 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc2F)CC1 ZINC000182885132 535880671 /nfs/dbraw/zinc/88/06/71/535880671.db2.gz MRALDFCVTASIKP-AWEZNQCLSA-N 2 0 357.495 1.490 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2F)CC1 ZINC000269314281 537019376 /nfs/dbraw/zinc/01/93/76/537019376.db2.gz YMQBTIIBUSMKBI-QGZVFWFLSA-N 2 0 350.482 1.957 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000892826463 791357706 /nfs/dbraw/zinc/35/77/06/791357706.db2.gz JPWOVRNMHLQBIM-LJQANCHMSA-N 2 0 361.534 1.996 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000892938666 791794285 /nfs/dbraw/zinc/79/42/85/791794285.db2.gz CBPLWQIXRMLMCI-OAQYLSRUSA-N 2 0 371.529 1.724 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)cc2)CC1 ZINC000892939396 791804083 /nfs/dbraw/zinc/80/40/83/791804083.db2.gz JOACEMBASKTZHH-AZUAARDMSA-N 2 0 357.502 1.522 20 10 FDCDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272379985 814676450 /nfs/dbraw/zinc/67/64/50/814676450.db2.gz FNAUDOMSMKRFBD-VMSUTVGLSA-N 2 0 361.486 1.986 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000895602613 822665182 /nfs/dbraw/zinc/66/51/82/822665182.db2.gz AJGUSOXRZDBHJK-IPELMVKDSA-N 2 0 361.534 1.995 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)[NH+](C)C)cc1 ZINC000899095362 845756418 /nfs/dbraw/zinc/75/64/18/845756418.db2.gz IGBFVQXJTPSUMP-HFSMHLIXSA-N 2 0 373.545 1.948 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[NH+](C)C)cc1 ZINC000899095689 845756465 /nfs/dbraw/zinc/75/64/65/845756465.db2.gz LBWQHQSTOUAPEM-SCTDSRPQSA-N 2 0 359.518 1.558 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C[C@H]3COCCN3)cc2F)CC1 ZINC000817902075 943071787 /nfs/dbraw/zinc/07/17/87/943071787.db2.gz HSZUHTCURAWRQL-AEFFLSMTSA-N 2 0 364.509 1.824 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)COC(C)C)cc2F)CC1 ZINC000819032086 943408981 /nfs/dbraw/zinc/40/89/81/943408981.db2.gz DKTHBCWPHUYBCI-KRWDZBQOSA-N 2 0 353.482 1.843 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)CC[N@@H+]2CC[C@H](F)C2)[NH+](C)C)cc1 ZINC001180178559 965127615 /nfs/dbraw/zinc/12/76/15/965127615.db2.gz CQAHYEVFDZVMBD-WMZOPIPTSA-N 2 0 350.482 1.905 20 10 FDCDRP CN(C)c1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000866041055 974638868 /nfs/dbraw/zinc/63/88/68/974638868.db2.gz MQYQYRZIXSSVNG-QZTJIDSGSA-N 2 0 361.534 1.633 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000881853940 980218359 /nfs/dbraw/zinc/21/83/59/980218359.db2.gz OVFRKDVQLMJSOO-UHFFFAOYSA-N 2 0 356.514 1.929 20 10 FDCDRP C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1=CC[N@H+](C)CC1 ZINC000883600701 982297827 /nfs/dbraw/zinc/29/78/27/982297827.db2.gz IIEOAZWGGMKJQY-KRWDZBQOSA-N 2 0 371.529 1.888 20 10 FDCDRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877158748 993078702 /nfs/dbraw/zinc/07/87/02/993078702.db2.gz MMRUSLVQDDFERH-UHFFFAOYSA-N 2 0 360.546 1.763 20 10 FDCDRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000878358722 993922379 /nfs/dbraw/zinc/92/23/79/993922379.db2.gz SWSPROASMUPJDR-MRXNPFEDSA-N 2 0 360.502 1.384 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@]3(F)CC[NH2+]C3)CC2)cc1 ZINC000178872321 525495485 /nfs/dbraw/zinc/49/54/85/525495485.db2.gz BNITWORJDMAETD-LJQANCHMSA-N 2 0 364.465 1.025 20 10 FDCDRP COc1c([O-])c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000282847394 537339185 /nfs/dbraw/zinc/33/91/85/537339185.db2.gz DEMDXWQKJPMVSX-CQSZACIVSA-N 2 0 365.430 1.853 20 10 FDCDRP CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000154289115 671919514 /nfs/dbraw/zinc/91/95/14/671919514.db2.gz AUJRUDKYFDADMU-UHFFFAOYSA-N 2 0 353.486 1.527 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)CS(=O)(=O)CC)cc2F)CC1 ZINC000182885319 672219938 /nfs/dbraw/zinc/21/99/38/672219938.db2.gz HEMDLRKOJCKCRB-HNNXBMFYSA-N 2 0 371.522 1.880 20 10 FDCDRP COc1c(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncnc1C1C[NH2+]C1 ZINC001167431103 774646358 /nfs/dbraw/zinc/64/63/58/774646358.db2.gz HEEHDWPRBVICNO-UHFFFAOYSA-N 2 0 368.485 1.536 20 10 FDCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892929436 791718005 /nfs/dbraw/zinc/71/80/05/791718005.db2.gz UMGNKYGJRBYGJU-OAHLLOKOSA-N 2 0 351.491 1.773 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@]34CCC[C@H]3[NH2+]CC4)cc2)CC1 ZINC000892939398 791804444 /nfs/dbraw/zinc/80/44/44/791804444.db2.gz JOACEMBASKTZHH-QUCCMNQESA-N 2 0 357.502 1.522 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)cc2)CC1 ZINC000896445077 824418190 /nfs/dbraw/zinc/41/81/90/824418190.db2.gz REAXFTRNJLLMIW-UXHICEINSA-N 2 0 371.529 1.817 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC([C@@H]4COC(=O)N4)CC3)cc2)CC1 ZINC000897025635 826786528 /nfs/dbraw/zinc/78/65/28/826786528.db2.gz XZGUWCPCBBMOLK-IBGZPJMESA-N 2 0 358.486 1.759 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237831350 835299776 /nfs/dbraw/zinc/29/97/76/835299776.db2.gz HTFPNCYONAKOQB-NJAFHUGGSA-N 2 0 360.477 1.772 20 10 FDCDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841955248 840213287 /nfs/dbraw/zinc/21/32/87/840213287.db2.gz XHIWBBJZZBHAGP-IBGZPJMESA-N 2 0 361.534 1.869 20 10 FDCDRP CN(C)c1ccc([C@@H](CNS(=O)(=O)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000908459199 855443829 /nfs/dbraw/zinc/44/38/29/855443829.db2.gz AXXLNRNKQQVUCX-QGZVFWFLSA-N 2 0 356.536 1.226 20 10 FDCDRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000923376454 889046387 /nfs/dbraw/zinc/04/63/87/889046387.db2.gz XUZGVDSNZDNPKR-IBGZPJMESA-N 2 0 356.474 1.411 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2)CC1 ZINC000775652848 970937018 /nfs/dbraw/zinc/93/70/18/970937018.db2.gz WBRZJJFLVPETBA-UHFFFAOYSA-N 3 0 372.557 1.983 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](CCC[NH3+])COC)cc2F)CC1 ZINC000817901269 943070812 /nfs/dbraw/zinc/07/08/12/943070812.db2.gz AITWJQHQNXOZDJ-QGZVFWFLSA-N 3 0 352.498 1.811 20 10 FDCDRP CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1F ZINC000819044437 943393045 /nfs/dbraw/zinc/39/30/45/943393045.db2.gz ZIKZRNFQDFFUHI-QGZVFWFLSA-N 2 0 352.498 1.370 20 10 FDCDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH+](C)C ZINC000825147425 946995337 /nfs/dbraw/zinc/99/53/37/946995337.db2.gz MKMBYWVTHMSUDH-HUUCEWRRSA-N 2 0 360.462 1.660 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000844192116 947829137 /nfs/dbraw/zinc/82/91/37/947829137.db2.gz HOLMPDXOIZTQNK-IBGZPJMESA-N 2 0 360.502 1.451 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@H+](C)C3CCC([NH3+])CC3)CC2)cc1 ZINC000844220731 947850632 /nfs/dbraw/zinc/85/06/32/947850632.db2.gz LPJOJYDUEKHHEM-UHFFFAOYSA-N 2 0 360.502 1.546 20 10 FDCDRP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775643609 970747758 /nfs/dbraw/zinc/74/77/58/970747758.db2.gz SOMAGOYKZODNEX-LJQANCHMSA-N 2 0 365.543 1.838 20 10 FDCDRP CC[NH+](CC)CCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883045563 981909780 /nfs/dbraw/zinc/90/97/80/981909780.db2.gz DLJFFVNETOBTHV-UHFFFAOYSA-N 2 0 361.534 1.970 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000883135936 981971468 /nfs/dbraw/zinc/97/14/68/981971468.db2.gz QEXMFOCNWBTSBY-GOSISDBHSA-N 2 0 371.529 1.722 20 10 FDCDRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883212512 982016184 /nfs/dbraw/zinc/01/61/84/982016184.db2.gz JUGIKKWMZBWLCP-QGZVFWFLSA-N 2 0 361.534 1.968 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[NH2+]CC3(C)C)cc2F)CC1 ZINC000884236283 983013827 /nfs/dbraw/zinc/01/38/27/983013827.db2.gz QHHVPZOZOKKWAK-INIZCTEOSA-N 2 0 362.493 1.829 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N(C)C[C@@H](C)[NH3+])cc2F)CC1 ZINC000861574328 983783023 /nfs/dbraw/zinc/78/30/23/983783023.db2.gz RYENWJYFNNPRIL-CQSZACIVSA-N 2 0 351.470 1.456 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)CC2)cc1 ZINC000876779379 992904591 /nfs/dbraw/zinc/90/45/91/992904591.db2.gz CJUHXTGUVPIWGX-HDICACEKSA-N 2 0 374.529 1.841 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC000876783626 992910715 /nfs/dbraw/zinc/91/07/15/992910715.db2.gz IGUHAAPFLYILLM-QAPCUYQASA-N 2 0 366.456 1.531 20 10 FDCDRP COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)C1 ZINC000877715677 993468920 /nfs/dbraw/zinc/46/89/20/993468920.db2.gz ZZXKAHOWLBCCTL-HXUWFJFHSA-N 2 0 372.469 1.332 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)cc2)CC1 ZINC000877746272 993496096 /nfs/dbraw/zinc/49/60/96/993496096.db2.gz KIYLBOAAIFMVNS-UHFFFAOYSA-N 3 0 371.573 1.650 20 10 FDCDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4COC[C@H]3C[C@@H]([NH3+])C4)cc2)CC1 ZINC000925778382 995763875 /nfs/dbraw/zinc/76/38/75/995763875.db2.gz VEPRMZQRRTXLJS-DSWCUTRASA-N 2 0 372.513 1.230 20 10 FDCDRP CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665737 998514716 /nfs/dbraw/zinc/51/47/16/998514716.db2.gz WGAZVXJUDRORAO-UHFFFAOYSA-N 2 0 359.518 1.674 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cc2)CC1 ZINC000889669583 998519315 /nfs/dbraw/zinc/51/93/15/998519315.db2.gz NOAPGRYOTMEJAG-FQEVSTJZSA-N 2 0 369.513 1.594 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCCC3CC[NH2+]CC3)cc2)CC1 ZINC000892232898 782387840 /nfs/dbraw/zinc/38/78/40/782387840.db2.gz KCXYPJMSWRRMCR-UHFFFAOYSA-N 2 0 359.518 1.627 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[NH+](C)C)cc1 ZINC000891249613 774110149 /nfs/dbraw/zinc/11/01/49/774110149.db2.gz RQIOYPWXSVIYNH-IBGZPJMESA-N 2 0 372.517 1.543 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000895602611 822665112 /nfs/dbraw/zinc/66/51/12/822665112.db2.gz AJGUSOXRZDBHJK-AYOQOUSVSA-N 2 0 361.534 1.995 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300383 888789814 /nfs/dbraw/zinc/78/98/14/888789814.db2.gz QSCXMBWBNYBLIK-UYAOXDASSA-N 2 0 364.534 1.141 20 10 FDCDRP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381162 889058799 /nfs/dbraw/zinc/05/87/99/889058799.db2.gz RRQAZZAPKOGRMW-ICSRJNTNSA-N 2 0 371.529 1.781 20 10 FDCDRP Cc1cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)ccc1N(C)C ZINC000923398216 889128411 /nfs/dbraw/zinc/12/84/11/889128411.db2.gz IOHKEMAXKBLFKS-MOPGFXCFSA-N 2 0 358.486 1.818 20 10 FDCDRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000817939173 943088467 /nfs/dbraw/zinc/08/84/67/943088467.db2.gz ACOWWIIBAMKDQL-YJBOKZPZSA-N 2 0 362.518 1.663 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)cc2)CC1 ZINC000775719745 971709690 /nfs/dbraw/zinc/70/96/90/971709690.db2.gz YBXDONCEVLSRFK-FQEVSTJZSA-N 2 0 358.530 1.593 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(Cn4ccnn4)CC3)cc2)CC1 ZINC000775741441 971903528 /nfs/dbraw/zinc/90/35/28/971903528.db2.gz ZJRGDQHAJYBGGK-UHFFFAOYSA-N 2 0 354.502 1.942 20 10 FDCDRP Cc1nn(C)c(C)c1[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001179785060 964987100 /nfs/dbraw/zinc/98/71/00/964987100.db2.gz USDHTFZOCJZROH-LJQANCHMSA-N 2 0 357.502 1.612 20 10 FDCDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000863642682 973078196 /nfs/dbraw/zinc/07/81/96/973078196.db2.gz VKLVAMYWTIHSCT-ZBFHGGJFSA-N 2 0 351.834 1.803 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000883149183 981980887 /nfs/dbraw/zinc/98/08/87/981980887.db2.gz UADWGVDNTNJCQB-UXHICEINSA-N 2 0 371.529 1.864 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[C@H]([NH3+])CC3)CC2)cc1 ZINC000876779380 992904342 /nfs/dbraw/zinc/90/43/42/992904342.db2.gz CJUHXTGUVPIWGX-IYARVYRRSA-N 2 0 374.529 1.841 20 10 FDCDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)C2)CC1 ZINC000877026674 993018418 /nfs/dbraw/zinc/01/84/18/993018418.db2.gz FGCWUOPFJVEVDO-LJQANCHMSA-N 2 0 372.557 1.906 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000925764153 995757085 /nfs/dbraw/zinc/75/70/85/995757085.db2.gz XFWXFFYUBOKAPG-PCCBWWKXSA-N 3 0 358.530 1.685 20 10 FDCDRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)C2)C1 ZINC000889663405 998513146 /nfs/dbraw/zinc/51/31/46/998513146.db2.gz QIJXQSYBTXNUQN-OAQYLSRUSA-N 2 0 371.529 1.676 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3(C)CC[NH+](C)CC3)cc2)CC1 ZINC000889666621 998516932 /nfs/dbraw/zinc/51/69/32/998516932.db2.gz OKHQXILMOZOENZ-UHFFFAOYSA-N 2 0 373.545 1.970 20 10 FDCDRP CC(C)[NH+]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889674541 998522694 /nfs/dbraw/zinc/52/26/94/998522694.db2.gz ODSFYSPHMCMZAD-UHFFFAOYSA-N 2 0 359.518 1.674 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000270365063 999546976 /nfs/dbraw/zinc/54/69/76/999546976.db2.gz YUJDTXNQQFGZMH-SFHVURJKSA-N 2 0 374.529 1.713 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2F)CC1 ZINC000270656350 999593936 /nfs/dbraw/zinc/59/39/36/999593936.db2.gz LHMPSKCPUSXMHI-KRWDZBQOSA-N 2 0 374.504 1.974 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCCC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000892162688 781924568 /nfs/dbraw/zinc/92/45/68/781924568.db2.gz CMYPLIMQPBVTMV-SFHVURJKSA-N 2 0 359.518 1.770 20 10 FDCDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc2O1 ZINC000592961259 552049255 /nfs/dbraw/zinc/04/92/55/552049255.db2.gz JTPLXOQVFJAYTI-HUUCEWRRSA-N 2 0 369.469 1.689 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNc3cc[nH+]cc3CO)CC2)cc1 ZINC000891595286 778434900 /nfs/dbraw/zinc/43/49/00/778434900.db2.gz RKHQHUDVBGWQOM-UHFFFAOYSA-N 2 0 356.470 1.629 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000892058262 781392581 /nfs/dbraw/zinc/39/25/81/781392581.db2.gz WFMFJFDGQRVRCQ-UHFFFAOYSA-N 2 0 359.518 1.627 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC000892939788 791815278 /nfs/dbraw/zinc/81/52/78/791815278.db2.gz ORASSGIUVNTZJZ-OAQYLSRUSA-N 2 0 371.529 1.724 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000893018956 792494833 /nfs/dbraw/zinc/49/48/33/792494833.db2.gz OHNBMTNGMLTCAC-QFBILLFUSA-N 2 0 359.518 1.891 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000729510240 820087453 /nfs/dbraw/zinc/08/74/53/820087453.db2.gz KKCMBWHHZXJXGE-QGZVFWFLSA-N 2 0 360.502 1.275 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCC[N@H+](C)C3)cc2)CC1 ZINC000896445131 824418794 /nfs/dbraw/zinc/41/87/94/824418794.db2.gz RRFYZBWMEPGQIO-IBGZPJMESA-N 2 0 373.545 1.970 20 10 FDCDRP C[NH+]1CCC[C@H]1C(=O)Nc1ccc(O)c(CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000923123717 888098563 /nfs/dbraw/zinc/09/85/63/888098563.db2.gz ZNGRXSZYGDPADV-CVEARBPZSA-N 2 0 360.458 1.135 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC000923417306 889155352 /nfs/dbraw/zinc/15/53/52/889155352.db2.gz WXUHTLMZRPBETD-SESVDKBCSA-N 2 0 374.529 1.004 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000731893441 918756577 /nfs/dbraw/zinc/75/65/77/918756577.db2.gz KXZAUFGUURQXSE-FQEVSTJZSA-N 2 0 374.529 1.808 20 10 FDCDRP COC(=O)C[C@]1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCOC1 ZINC000770673782 930176706 /nfs/dbraw/zinc/17/67/06/930176706.db2.gz HXBJNBPPYROJBH-HXUWFJFHSA-N 2 0 361.486 1.640 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c3cnn4CCO)cc2)CC1 ZINC000771825054 930928081 /nfs/dbraw/zinc/92/80/81/930928081.db2.gz WGWZFFBKWRAMLL-HXUWFJFHSA-N 2 0 369.513 1.794 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@]3(CO)CCCO3)cc2)CC1 ZINC000816667230 942292923 /nfs/dbraw/zinc/29/29/23/942292923.db2.gz HFKFVIFKDIXBQJ-NHCUHLMSSA-N 2 0 359.514 1.848 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CC3([NH3+])CCC3)CC2)cc1 ZINC000844190577 947826765 /nfs/dbraw/zinc/82/67/65/947826765.db2.gz CFQIQEWVQLVEQX-UHFFFAOYSA-N 2 0 360.502 1.595 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000844162698 947842262 /nfs/dbraw/zinc/84/22/62/947842262.db2.gz MMBZNWMPSUYVDP-LJQANCHMSA-N 2 0 374.529 1.904 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc2)CC1 ZINC000850348874 978328869 /nfs/dbraw/zinc/32/88/69/978328869.db2.gz WXDIBPRVQSDMST-DEOSSOPVSA-N 2 0 363.449 1.839 20 10 FDCDRP COC(=O)c1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1C ZINC000883283731 982044190 /nfs/dbraw/zinc/04/41/90/982044190.db2.gz QWFLTOFYKGIAJP-UHFFFAOYSA-N 2 0 356.470 1.853 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368127527 988978437 /nfs/dbraw/zinc/97/84/37/988978437.db2.gz YUPLISLGULHPFG-DLBZAZTESA-N 2 0 360.477 1.487 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)cc2F)CC1 ZINC000874440193 990282049 /nfs/dbraw/zinc/28/20/49/990282049.db2.gz ZJWFMFRMTJBTBH-QGZVFWFLSA-N 2 0 362.493 1.926 20 10 FDCDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)C2)CC1 ZINC000877026671 993017842 /nfs/dbraw/zinc/01/78/42/993017842.db2.gz FGCWUOPFJVEVDO-IBGZPJMESA-N 2 0 372.557 1.906 20 10 FDCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1(S(C)(=O)=O)CC1 ZINC000796491880 1016657956 /nfs/dbraw/zinc/65/79/56/1016657956.db2.gz RLQQDBKTFFLOLX-HNNXBMFYSA-N 2 0 351.516 1.494 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000892188763 782077262 /nfs/dbraw/zinc/07/72/62/782077262.db2.gz SVYOATOVVLVMHT-CEXWTWQISA-N 2 0 371.529 1.626 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CC[NH+](C)C)cc2F)CC1 ZINC000176339898 525085893 /nfs/dbraw/zinc/08/58/93/525085893.db2.gz MPXAFUDKOOJASW-UHFFFAOYSA-N 2 0 365.497 1.671 20 10 FDCDRP CC[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[NH+](C)C ZINC000164650825 525521368 /nfs/dbraw/zinc/52/13/68/525521368.db2.gz ABXYUUQCLAUKNT-KRWDZBQOSA-N 2 0 350.482 1.924 20 10 FDCDRP [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000891737929 779220473 /nfs/dbraw/zinc/22/04/73/779220473.db2.gz FSEPXUMDCAXZIR-WGSAOQKQSA-N 2 0 371.529 1.755 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C[NH3+])C3CCCC3)cc2)CC1 ZINC000892093973 781510327 /nfs/dbraw/zinc/51/03/27/781510327.db2.gz YFKLPKKCSAOZPL-IBGZPJMESA-N 2 0 359.518 1.755 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000892149678 781790241 /nfs/dbraw/zinc/79/02/41/781790241.db2.gz CIKHTLAOAXUIJL-HNNXBMFYSA-N 2 0 355.433 1.220 20 10 FDCDRP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1OC ZINC000892152341 781799366 /nfs/dbraw/zinc/79/93/66/781799366.db2.gz GSWVPSVSDQLSQY-DOTOQJQBSA-N 2 0 363.502 1.867 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3CCS(=O)(=O)CC3)cc2)CC1 ZINC000895607083 822670209 /nfs/dbraw/zinc/67/02/09/822670209.db2.gz KULVNTYFRPSAQI-UHFFFAOYSA-N 2 0 351.516 1.353 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923291090 888774184 /nfs/dbraw/zinc/77/41/84/888774184.db2.gz AZOQKGJBSRQKBM-HBFSDRIKSA-N 2 0 374.529 1.004 20 10 FDCDRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CO1 ZINC001169323134 928421858 /nfs/dbraw/zinc/42/18/58/928421858.db2.gz XMFDTMQJCIYTFG-MJGOQNOKSA-N 2 0 361.486 1.639 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(=O)N4CCCC4)C3)cc2)CC1 ZINC000809770961 940892828 /nfs/dbraw/zinc/89/28/28/940892828.db2.gz BWRAXQCBFISEIU-LJQANCHMSA-N 2 0 356.514 1.883 20 10 FDCDRP COCC(C)(C)[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000822497566 945037696 /nfs/dbraw/zinc/03/76/96/945037696.db2.gz FTYAZUGURFXCSN-UHFFFAOYSA-N 2 0 360.546 1.981 20 10 FDCDRP COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776811535 970329050 /nfs/dbraw/zinc/32/90/50/970329050.db2.gz AVGHPNJEVQGWJX-UXHICEINSA-N 2 0 363.502 1.349 20 10 FDCDRP CC(C)CN1CCO[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001198901173 973632292 /nfs/dbraw/zinc/63/22/92/973632292.db2.gz PZINEZKGNHGDIJ-OAQYLSRUSA-N 2 0 360.546 1.885 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCN(C4CCOCC4)C3=O)cc2)CC1 ZINC000865675787 974416469 /nfs/dbraw/zinc/41/64/69/974416469.db2.gz DNXPUPFAYFQCPV-HXUWFJFHSA-N 2 0 372.513 1.308 20 10 FDCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCS(=O)(=O)CC1 ZINC000883290276 982047385 /nfs/dbraw/zinc/04/73/85/982047385.db2.gz QEJFIRBWWRFOPA-MRXNPFEDSA-N 2 0 365.543 1.741 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000876506165 992672350 /nfs/dbraw/zinc/67/23/50/992672350.db2.gz GJRZBBGKHHXXBS-UXHICEINSA-N 2 0 369.513 1.328 20 10 FDCDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925053937 995265062 /nfs/dbraw/zinc/26/50/62/995265062.db2.gz AQOIRNSZJYGQRU-JJTKIYQPSA-N 2 0 363.527 1.351 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2F)CC1 ZINC000155261968 525798016 /nfs/dbraw/zinc/79/80/16/525798016.db2.gz NXFWSDYWHLFWKN-UHFFFAOYSA-N 2 0 363.481 1.600 20 10 FDCDRP Nc1ccc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000269310390 537019573 /nfs/dbraw/zinc/01/95/73/537019573.db2.gz WPHSZDWRSREDMG-UHFFFAOYSA-N 2 0 353.470 1.535 20 10 FDCDRP COC(=O)c1c(C[NH2+]CC2(O)CC[NH+](C)CC2)c2cc(F)ccc2n1C ZINC000894302967 815844501 /nfs/dbraw/zinc/84/45/01/815844501.db2.gz FUOSGSQZINTNNY-UHFFFAOYSA-N 2 0 363.433 1.650 20 10 FDCDRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896443764 824416844 /nfs/dbraw/zinc/41/68/44/824416844.db2.gz BYHWVSHDGVNOCY-QGZVFWFLSA-N 2 0 359.518 1.722 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000904518325 851271097 /nfs/dbraw/zinc/27/10/97/851271097.db2.gz LKRPBIUTIKDMCK-KBPBESRZSA-N 2 0 361.412 1.544 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC3(CO)CCCC3)cc2)CC1 ZINC000905428002 851933737 /nfs/dbraw/zinc/93/37/37/851933737.db2.gz QGGCZGWVBLQZLZ-FQEVSTJZSA-N 2 0 361.530 1.832 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN(C3CC3)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000923329669 888892704 /nfs/dbraw/zinc/89/27/04/888892704.db2.gz NOCYWIKEWNPRMC-PMACEKPBSA-N 2 0 374.529 1.004 20 10 FDCDRP O[C@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Cn1cccn1 ZINC000819200793 943472504 /nfs/dbraw/zinc/47/25/04/943472504.db2.gz VDVXPLWBENBPAM-OAQYLSRUSA-N 2 0 369.513 1.566 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)[NH2+]C3CC3)CC2)cc1 ZINC000844191304 947830348 /nfs/dbraw/zinc/83/03/48/947830348.db2.gz LEQDWOUOYPQUQT-MRXNPFEDSA-N 2 0 360.502 1.464 20 10 FDCDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000854230142 968700886 /nfs/dbraw/zinc/70/08/86/968700886.db2.gz HNDGHTUDEUDWNV-PWRODBHTSA-N 2 0 359.514 1.894 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])N3CCO[C@@H](C)C3)cc2F)CC1 ZINC000849095105 977312872 /nfs/dbraw/zinc/31/28/72/977312872.db2.gz XTAGDODXBBHXCR-HNNXBMFYSA-N 2 0 363.481 1.713 20 10 FDCDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876922916 992969340 /nfs/dbraw/zinc/96/93/40/992969340.db2.gz BAGCKEDZAGWMAC-UHFFFAOYSA-N 2 0 360.546 1.763 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)cc2)CC1 ZINC000925762351 995755306 /nfs/dbraw/zinc/75/53/06/995755306.db2.gz JDMDIZNODPFAHC-NJYVYQBISA-N 2 0 358.530 1.685 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000925764152 995757264 /nfs/dbraw/zinc/75/72/64/995757264.db2.gz XFWXFFYUBOKAPG-NJDAHSKKSA-N 3 0 358.530 1.685 20 10 FDCDRP CN1CCOc2c1cn[nH+]c2NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426980 774586473 /nfs/dbraw/zinc/58/64/73/774586473.db2.gz RWPDELKTAZZZKF-UHFFFAOYSA-N 2 0 354.458 1.669 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000892030920 781286545 /nfs/dbraw/zinc/28/65/45/781286545.db2.gz PTHZPXBVBFNWAG-HXUWFJFHSA-N 2 0 367.497 1.938 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC3(C[NH3+])CCCCC3)cc2)CC1 ZINC000892938832 791799045 /nfs/dbraw/zinc/79/90/45/791799045.db2.gz DVUWDEJHUBVNEX-UHFFFAOYSA-N 2 0 359.518 1.899 20 10 FDCDRP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C[NH+](C)C)CC1)cc2=O ZINC000729266265 811096135 /nfs/dbraw/zinc/09/61/35/811096135.db2.gz TWRSYVFTIMLALH-UHFFFAOYSA-N 2 0 361.446 1.385 20 10 FDCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[N@@H+]1C ZINC000765978163 874034891 /nfs/dbraw/zinc/03/48/91/874034891.db2.gz LXHFSJPBLDTFIP-WBVHZDCISA-N 2 0 351.516 1.494 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)CC2)cc1 ZINC000923501311 889519838 /nfs/dbraw/zinc/51/98/38/889519838.db2.gz QFYKOTGPLFNAEX-IRXDYDNUSA-N 2 0 360.502 1.261 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCC(=O)Nc3ccccn3)cc2)CC1 ZINC000771817808 930924765 /nfs/dbraw/zinc/92/47/65/930924765.db2.gz GJIIROWFTSJWED-UHFFFAOYSA-N 2 0 353.470 1.952 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](N4CCNC4=O)C3)cc2)CC1 ZINC000775658092 971002955 /nfs/dbraw/zinc/00/29/55/971002955.db2.gz LWVRSDZLIAOELC-IBGZPJMESA-N 2 0 357.502 1.428 20 10 FDCDRP COc1cccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1O ZINC000846168814 950595486 /nfs/dbraw/zinc/59/54/86/950595486.db2.gz MAMKUGHZMVBICB-MRXNPFEDSA-N 2 0 363.502 1.848 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000846225033 950735940 /nfs/dbraw/zinc/73/59/40/950735940.db2.gz IUQAEVMUXZNWLM-BJLQDIEVSA-N 2 0 374.529 1.587 20 10 FDCDRP COc1ccc(N2CCN(CCNC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674631 951439005 /nfs/dbraw/zinc/43/90/05/951439005.db2.gz QYIGCXLSFUFYTQ-WOJBJXKFSA-N 2 0 372.513 1.464 20 10 FDCDRP Cc1nn(C)c(C)c1[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001179785059 964987369 /nfs/dbraw/zinc/98/73/69/964987369.db2.gz USDHTFZOCJZROH-IBGZPJMESA-N 2 0 357.502 1.612 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)[NH+](C)C)cc1 ZINC001180178558 965128219 /nfs/dbraw/zinc/12/82/19/965128219.db2.gz CQAHYEVFDZVMBD-SJLPKXTDSA-N 2 0 350.482 1.905 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3[NH2+]CCC3(C)C)CC2)cc1 ZINC000852873484 967680482 /nfs/dbraw/zinc/68/04/82/967680482.db2.gz WHFCEWWWXGPJTI-IBGZPJMESA-N 2 0 374.529 1.712 20 10 FDCDRP COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776811530 970329551 /nfs/dbraw/zinc/32/95/51/970329551.db2.gz AVGHPNJEVQGWJX-PMACEKPBSA-N 2 0 363.502 1.349 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)cc2F)CC1 ZINC000848414985 976722884 /nfs/dbraw/zinc/72/28/84/976722884.db2.gz GSLSHJFCHFAYAY-LAUBAEHRSA-N 2 0 374.504 1.974 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000883093074 981936885 /nfs/dbraw/zinc/93/68/85/981936885.db2.gz IZIQQNLTENVHSU-UHFFFAOYSA-N 2 0 371.529 1.864 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc4c(cn3)OCCO4)cc2)CC1 ZINC000883283793 982044961 /nfs/dbraw/zinc/04/49/61/982044961.db2.gz TWFAPJBDUUWCKF-UHFFFAOYSA-N 2 0 354.454 1.894 20 10 FDCDRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[N@@H+]1C1CC1 ZINC000883505239 982225358 /nfs/dbraw/zinc/22/53/58/982225358.db2.gz YVZTTWZWVPGTNW-AEFFLSMTSA-N 2 0 371.529 1.863 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(Cn4cncn4)CC3)cc2)CC1 ZINC000779190930 1002505553 /nfs/dbraw/zinc/50/55/53/1002505553.db2.gz JNYJUIMRRZLOQS-UHFFFAOYSA-N 2 0 354.502 1.942 20 10 FDCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1(S(C)(=O)=O)CC1 ZINC000796491885 1016663669 /nfs/dbraw/zinc/66/36/69/1016663669.db2.gz RLQQDBKTFFLOLX-OAHLLOKOSA-N 2 0 351.516 1.494 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCSC)cc2F)CC1 ZINC000178882683 525497509 /nfs/dbraw/zinc/49/75/09/525497509.db2.gz MFIGEXCWCJSABT-INIZCTEOSA-N 2 0 368.522 1.664 20 10 FDCDRP CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000294958278 676398774 /nfs/dbraw/zinc/39/87/74/676398774.db2.gz FTEWEKFWHKKTFJ-OAHLLOKOSA-N 2 0 350.482 1.972 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)C[N@H+](C)[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000891254625 774147474 /nfs/dbraw/zinc/14/74/74/774147474.db2.gz ZNOFHCLVTHWLPQ-ZWKOTPCHSA-N 2 0 364.559 1.909 20 10 FDCDRP COc1cc(C)cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1O ZINC000894991544 819438360 /nfs/dbraw/zinc/43/83/60/819438360.db2.gz RMDYMBCBWOOIHR-UHFFFAOYSA-N 2 0 363.502 1.595 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)cc2)CC1 ZINC000895607647 822670248 /nfs/dbraw/zinc/67/02/48/822670248.db2.gz SGHZDGDVIJHYCT-UHFFFAOYSA-N 3 0 360.546 1.763 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)CC3)cc2)CC1 ZINC000895607579 822670317 /nfs/dbraw/zinc/67/03/17/822670317.db2.gz QGFBZARBLPPFGD-QGZVFWFLSA-N 2 0 351.516 1.495 20 10 FDCDRP O=C(Cc1ccc(O)c(O)c1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001142613327 845734216 /nfs/dbraw/zinc/73/42/16/845734216.db2.gz RFUKJSDOAVAIQL-UHFFFAOYSA-N 2 0 370.453 1.364 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)COC3CCOCC3)cc2)CC1 ZINC000905426717 851932688 /nfs/dbraw/zinc/93/26/88/851932688.db2.gz ICWSTDAXYXFJLJ-IBGZPJMESA-N 2 0 363.502 1.085 20 10 FDCDRP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000807063435 940238123 /nfs/dbraw/zinc/23/81/23/940238123.db2.gz UASMXCZRKXSIPC-KRWDZBQOSA-N 2 0 373.545 1.968 20 10 FDCDRP C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700651 940879917 /nfs/dbraw/zinc/87/99/17/940879917.db2.gz LGKDDRNEGYCBHD-RXVVDRJESA-N 2 0 358.530 1.733 20 10 FDCDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892214 943067131 /nfs/dbraw/zinc/06/71/31/943067131.db2.gz KRCXVIFKUXFBFQ-FUHWJXTLSA-N 2 0 351.516 1.529 20 10 FDCDRP CCC[NH2+][C@H](C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000844190540 947826143 /nfs/dbraw/zinc/82/61/43/947826143.db2.gz BIQIPFFJNQHJCB-QGZVFWFLSA-N 2 0 362.518 1.712 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000844190995 947826849 /nfs/dbraw/zinc/82/68/49/947826849.db2.gz IKNUBHCLPAWKSI-KRWDZBQOSA-N 2 0 360.502 1.323 20 10 FDCDRP COc1ccc(N2CCN(C(=O)CN3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000844223174 947853921 /nfs/dbraw/zinc/85/39/21/947853921.db2.gz UKUMZIAVUJCBHG-FQEVSTJZSA-N 2 0 358.486 1.029 20 10 FDCDRP CC[C@@H]1CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[C@H]1[NH3+] ZINC000844222284 947855116 /nfs/dbraw/zinc/85/51/16/947855116.db2.gz CIHJWJPRGPLJMH-VQIMIIECSA-N 2 0 360.502 1.403 20 10 FDCDRP COc1c([O-])c(C[NH2+]CCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000774960775 964227483 /nfs/dbraw/zinc/22/74/83/964227483.db2.gz IFEAXHOHUBBKOP-UHFFFAOYSA-N 2 0 352.435 1.426 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883133930 981970555 /nfs/dbraw/zinc/97/05/55/981970555.db2.gz KZLLKQPYFWKTCK-ICSRJNTNSA-N 2 0 371.529 1.864 20 10 FDCDRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[N@@H+]1C1CC1 ZINC000883505241 982225213 /nfs/dbraw/zinc/22/52/13/982225213.db2.gz YVZTTWZWVPGTNW-SJLPKXTDSA-N 2 0 371.529 1.863 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc2)CC1 ZINC000883575023 982277021 /nfs/dbraw/zinc/27/70/21/982277021.db2.gz VWZWDKCTRRDFRF-OAHLLOKOSA-N 2 0 373.423 1.517 20 10 FDCDRP C[NH2+]CCOc1ccccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010404 982699621 /nfs/dbraw/zinc/69/96/21/982699621.db2.gz BTFUMJUAWPRJBT-SFHVURJKSA-N 2 0 356.470 1.781 20 10 FDCDRP CCN(CC[NH3+])C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000861614956 983792180 /nfs/dbraw/zinc/79/21/80/983792180.db2.gz ALWKXOWMZBDZKT-UHFFFAOYSA-N 2 0 359.518 1.709 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000294179131 537670780 /nfs/dbraw/zinc/67/07/80/537670780.db2.gz TVRHDLWSENRSLF-YLJYHZDGSA-N 2 0 374.529 1.699 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNc3nccc(N4CC[NH2+]CC4)n3)cc2)CC1 ZINC001167423262 774570137 /nfs/dbraw/zinc/57/01/37/774570137.db2.gz TWOIBHHLDJKEKV-UHFFFAOYSA-N 2 0 367.501 1.250 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNc3ccc4c(n3)OCC[NH2+]C4)cc2)CC1 ZINC001167427070 774586307 /nfs/dbraw/zinc/58/63/07/774586307.db2.gz WKBGNUNXLIZILL-UHFFFAOYSA-N 2 0 353.470 1.928 20 10 FDCDRP C[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CCCO3)(N2CCOCC2)CC1 ZINC000922183064 873528186 /nfs/dbraw/zinc/52/81/86/873528186.db2.gz JDEPCYJLIIUFIO-UHFFFAOYSA-N 2 0 359.514 1.898 20 10 FDCDRP C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC[NH+](C)CC1 ZINC000765979592 874063970 /nfs/dbraw/zinc/06/39/70/874063970.db2.gz MCWQRXYMNRUUOT-INIZCTEOSA-N 2 0 365.543 1.741 20 10 FDCDRP CC[C@H](C(=O)NCc1cc(NC(=O)[C@@H](CC)[NH+](C)C)ccc1O)[NH+](C)C ZINC000923122019 888093611 /nfs/dbraw/zinc/09/36/11/888093611.db2.gz LTRHMMGYXDFYHK-HZPDHXFCSA-N 2 0 364.490 1.627 20 10 FDCDRP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381166 889059251 /nfs/dbraw/zinc/05/92/51/889059251.db2.gz RRQAZZAPKOGRMW-UYAOXDASSA-N 2 0 371.529 1.781 20 10 FDCDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000769943461 929746546 /nfs/dbraw/zinc/74/65/46/929746546.db2.gz KYORLYUVUHULBI-IBGZPJMESA-N 3 0 359.562 1.554 20 10 FDCDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817936853 943086594 /nfs/dbraw/zinc/08/65/94/943086594.db2.gz VZXWZBHNWPWLNR-JDFRZJQESA-N 2 0 355.429 1.643 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)cc2F)CC1 ZINC000844190820 947826786 /nfs/dbraw/zinc/82/67/86/947826786.db2.gz RCGQBPIJBPKSLA-YJBOKZPZSA-N 2 0 362.493 1.972 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](n4ncnn4)C3)cc2)CC1 ZINC001173736041 962603874 /nfs/dbraw/zinc/60/38/74/962603874.db2.gz XOVAYFYHPOUKIO-IEBWSBKVSA-N 2 0 355.490 1.698 20 10 FDCDRP CN(CCC[NH+](C)C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000853412352 968005872 /nfs/dbraw/zinc/00/58/72/968005872.db2.gz YSHBUSMIWAAARJ-UHFFFAOYSA-N 2 0 361.534 1.970 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[NH2+][C@H]3C)cc2F)CC1 ZINC000861573312 983782728 /nfs/dbraw/zinc/78/27/28/983782728.db2.gz FDLDACGWKFZMFW-WMLDXEAASA-N 2 0 363.481 1.517 20 10 FDCDRP COc1cc(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1OC ZINC000371357860 990379521 /nfs/dbraw/zinc/37/95/21/990379521.db2.gz RULXNBOKGSMFAF-DOTOQJQBSA-N 2 0 363.502 1.867 20 10 FDCDRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663659 998513553 /nfs/dbraw/zinc/51/35/53/998513553.db2.gz TWBTVUZNVWDXOQ-SFHVURJKSA-N 2 0 359.518 1.674 20 10 FDCDRP COc1cc(O)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1OC ZINC000289460448 676139697 /nfs/dbraw/zinc/13/96/97/676139697.db2.gz OIXXEUJEXFWAHV-UHFFFAOYSA-N 2 0 351.491 1.867 20 10 FDCDRP [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000891737927 779220617 /nfs/dbraw/zinc/22/06/17/779220617.db2.gz FSEPXUMDCAXZIR-KDURUIRLSA-N 2 0 371.529 1.755 20 10 FDCDRP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(O)c1OC ZINC000892531944 786840265 /nfs/dbraw/zinc/84/02/65/786840265.db2.gz FKJBQIMZAHYFOM-UHFFFAOYSA-N 2 0 372.469 1.846 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000893018955 792494728 /nfs/dbraw/zinc/49/47/28/792494728.db2.gz OHNBMTNGMLTCAC-LPHOPBHVSA-N 2 0 359.518 1.891 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000178872281 811188158 /nfs/dbraw/zinc/18/81/58/811188158.db2.gz VIWBVRJVGRCMLL-KRWDZBQOSA-N 2 0 360.502 1.466 20 10 FDCDRP COc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000840830312 827100005 /nfs/dbraw/zinc/10/00/05/827100005.db2.gz DFVAOYKQHFTAHM-INIZCTEOSA-N 2 0 363.502 1.848 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000904518327 851271830 /nfs/dbraw/zinc/27/18/30/851271830.db2.gz LKRPBIUTIKDMCK-KGLIPLIRSA-N 2 0 361.412 1.544 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COc2ccc(CCC[NH3+])cc2)cc1 ZINC000911666437 858878629 /nfs/dbraw/zinc/87/86/29/858878629.db2.gz IJFYBLMPIXEYRN-FQEVSTJZSA-N 2 0 370.497 1.839 20 10 FDCDRP C[NH+](C)Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000918852368 884969078 /nfs/dbraw/zinc/96/90/78/884969078.db2.gz LLZCYANLCWUNFN-UHFFFAOYSA-N 2 0 367.497 1.825 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@H](C[NH3+])C(C)(C)C)CC2)cc1 ZINC000923370517 889028082 /nfs/dbraw/zinc/02/80/82/889028082.db2.gz PTNUJPJCTWQZAL-IEBWSBKVSA-N 2 0 364.534 1.141 20 10 FDCDRP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923381164 889058174 /nfs/dbraw/zinc/05/81/74/889058174.db2.gz RRQAZZAPKOGRMW-QUCCMNQESA-N 2 0 371.529 1.781 20 10 FDCDRP COc1ccc(Br)c(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205240843 909566410 /nfs/dbraw/zinc/56/64/10/909566410.db2.gz OQCLZYNKEWRQAC-HNNXBMFYSA-N 2 0 359.264 1.839 20 10 FDCDRP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CO1 ZINC001169323136 928422547 /nfs/dbraw/zinc/42/25/47/928422547.db2.gz XMFDTMQJCIYTFG-PKOBYXMFSA-N 2 0 361.486 1.639 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CC(N)=O)cc3)cc2)CC1 ZINC000810158568 940962173 /nfs/dbraw/zinc/96/21/73/940962173.db2.gz QAZASQVTVZNTDH-UHFFFAOYSA-N 2 0 352.482 1.756 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2F)CC1 ZINC000817902513 943071215 /nfs/dbraw/zinc/07/12/15/943071215.db2.gz SAOSZBUIVZIHFJ-KVSKMBFKSA-N 3 0 364.509 1.810 20 10 FDCDRP CON(C)C(=O)CC[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819199863 943472059 /nfs/dbraw/zinc/47/20/59/943472059.db2.gz DTVKPDNKNIPVKQ-UHFFFAOYSA-N 2 0 360.502 1.718 20 10 FDCDRP CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819200961 943472536 /nfs/dbraw/zinc/47/25/36/943472536.db2.gz XRWOYYNZPVIYAQ-UHFFFAOYSA-N 2 0 365.543 1.743 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000844192031 947828690 /nfs/dbraw/zinc/82/86/90/947828690.db2.gz ZEQNIECSSGJODU-APWZRJJASA-N 2 0 360.502 1.322 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000844225496 947861380 /nfs/dbraw/zinc/86/13/80/947861380.db2.gz BSWADNAKXDGMEL-AZUAARDMSA-N 2 0 374.529 1.587 20 10 FDCDRP COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716000 971688218 /nfs/dbraw/zinc/68/82/18/971688218.db2.gz OIUNKCPJGZKSNU-GOSISDBHSA-N 2 0 363.527 1.919 20 10 FDCDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)CC1 ZINC001177791470 963972035 /nfs/dbraw/zinc/97/20/35/963972035.db2.gz ZBGGHVJKPDYFSW-FQEVSTJZSA-N 3 0 371.573 1.697 20 10 FDCDRP CCOc1cccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1O ZINC000863642892 973078615 /nfs/dbraw/zinc/07/86/15/973078615.db2.gz ZSAGGURSDIBIRN-WBVHZDCISA-N 2 0 361.442 1.548 20 10 FDCDRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001200921497 974929203 /nfs/dbraw/zinc/92/92/03/974929203.db2.gz HMJNMQUZZODFPQ-UHFFFAOYSA-N 3 0 359.562 1.554 20 10 FDCDRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883702239 982395603 /nfs/dbraw/zinc/39/56/03/982395603.db2.gz HUFVFZGMBQLAMJ-QGZVFWFLSA-N 2 0 361.534 1.966 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC(C)(C)O)cc2F)CC1 ZINC000872199752 987511305 /nfs/dbraw/zinc/51/13/05/987511305.db2.gz CUASBXHDSFZSSD-INIZCTEOSA-N 2 0 353.482 1.579 20 10 FDCDRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876505748 992671480 /nfs/dbraw/zinc/67/14/80/992671480.db2.gz AVHWUNKWYYNOHO-RYGJVYDSSA-N 2 0 370.497 1.801 20 10 FDCDRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000876783975 992911753 /nfs/dbraw/zinc/91/17/53/992911753.db2.gz SJBQDOGUUTZCNL-MXNAJAOXSA-N 2 0 374.504 1.996 20 10 FDCDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876931124 992972549 /nfs/dbraw/zinc/97/25/49/992972549.db2.gz JGGPIRWOFGTCEA-SFHVURJKSA-N 2 0 360.546 1.763 20 10 FDCDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924731754 994957451 /nfs/dbraw/zinc/95/74/51/994957451.db2.gz ZNTRCHRIQZJISR-JTUYAUNFSA-N 2 0 356.514 1.818 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)cc2)CC1 ZINC000925762353 995755381 /nfs/dbraw/zinc/75/53/81/995755381.db2.gz JDMDIZNODPFAHC-PWRODBHTSA-N 2 0 358.530 1.685 20 10 FDCDRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000289833685 537593982 /nfs/dbraw/zinc/59/39/82/537593982.db2.gz BJVNIMVYCLYDGU-WOJBJXKFSA-N 2 0 374.529 1.712 20 10 FDCDRP COc1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(O)c1OC ZINC000892937612 791783332 /nfs/dbraw/zinc/78/33/32/791783332.db2.gz FDUDNUPRUXHPSV-UHFFFAOYSA-N 2 0 351.491 1.773 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000904518328 851271423 /nfs/dbraw/zinc/27/14/23/851271423.db2.gz LKRPBIUTIKDMCK-UONOGXRCSA-N 2 0 361.412 1.544 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]([NH3+])CC(F)F)CC2)cc1 ZINC000844192397 947831655 /nfs/dbraw/zinc/83/16/55/947831655.db2.gz OYUQPQCAYRPWRG-MRXNPFEDSA-N 2 0 370.444 1.306 20 10 FDCDRP COc1ccc(N2CCN(C(=O)CN3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000844223175 947853505 /nfs/dbraw/zinc/85/35/05/947853505.db2.gz UKUMZIAVUJCBHG-HXUWFJFHSA-N 2 0 358.486 1.029 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000844226258 947863871 /nfs/dbraw/zinc/86/38/71/947863871.db2.gz KTBZLQFVJFWEQU-TZIWHRDSSA-N 2 0 374.529 1.587 20 10 FDCDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000853247593 967943735 /nfs/dbraw/zinc/94/37/35/967943735.db2.gz UTBISDIAJDCIHZ-UHFFFAOYSA-N 2 0 350.482 1.972 20 10 FDCDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000925488572 970054824 /nfs/dbraw/zinc/05/48/24/970054824.db2.gz TWKORSSZRAJAKX-DLBZAZTESA-N 2 0 365.543 1.917 20 10 FDCDRP CC[N@H+](CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000883285451 982045052 /nfs/dbraw/zinc/04/50/52/982045052.db2.gz PXHFQISEZGAISS-UHFFFAOYSA-N 2 0 359.518 1.722 20 10 FDCDRP CC[N@H+](CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000883289241 982047528 /nfs/dbraw/zinc/04/75/28/982047528.db2.gz ISFVCAXROXYMFB-UHFFFAOYSA-N 2 0 361.534 1.968 20 10 FDCDRP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255873 987548677 /nfs/dbraw/zinc/54/86/77/987548677.db2.gz NIWZQYFFKKPOQM-NFAWXSAZSA-N 2 0 367.833 1.421 20 10 FDCDRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000269660803 999471157 /nfs/dbraw/zinc/47/11/57/999471157.db2.gz LJDWZARZBUPCPO-APWZRJJASA-N 2 0 362.518 1.697 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(S(C)(=O)=O)CCCC3)cc2)CC1 ZINC000796515055 1017440546 /nfs/dbraw/zinc/44/05/46/1017440546.db2.gz NIFKZRYUOCRHPU-UHFFFAOYSA-N 2 0 365.543 1.885 20 10 FDCDRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155125979 525753991 /nfs/dbraw/zinc/75/39/91/525753991.db2.gz NUJLZYVMGKOKDB-DLBZAZTESA-N 2 0 364.509 1.949 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2F)CC1 ZINC000188798452 536951655 /nfs/dbraw/zinc/95/16/55/536951655.db2.gz MRUQHPBVFFNMEB-GOEBONIOSA-N 2 0 352.429 1.284 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000292099998 537708924 /nfs/dbraw/zinc/70/89/24/537708924.db2.gz OIDPSLFHYNMJRM-GOSISDBHSA-N 2 0 374.529 1.856 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)[NH+](C)C)cc1 ZINC000891245247 774078792 /nfs/dbraw/zinc/07/87/92/774078792.db2.gz BGLDGFRZZMKDBR-MOPGFXCFSA-N 2 0 360.502 1.192 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237831526 835299940 /nfs/dbraw/zinc/29/99/40/835299940.db2.gz VQVXVKIUVXHUIL-IBGZPJMESA-N 2 0 368.456 1.566 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NCC1C[NH2+]C1 ZINC000841870353 839577579 /nfs/dbraw/zinc/57/75/79/839577579.db2.gz YXFMZZVZHHMZDO-UHFFFAOYSA-N 2 0 357.502 1.237 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)cc1 ZINC000911666177 858878649 /nfs/dbraw/zinc/87/86/49/858878649.db2.gz HQAVOPYDHDCNFN-YSHGAJCASA-N 2 0 360.502 1.416 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4(=O)=O)cc2)CC1 ZINC000922849441 879522157 /nfs/dbraw/zinc/52/21/57/879522157.db2.gz VXUKZLYCLWCMPZ-JLYLLQBASA-N 2 0 363.527 1.636 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)c3c[nH+]ccc3N)cc2F)CC1 ZINC000844190357 947826922 /nfs/dbraw/zinc/82/69/22/947826922.db2.gz KBARWSSTWZCVAC-UHFFFAOYSA-N 2 0 357.433 1.705 20 10 FDCDRP CCO[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)C[C@H]1C[NH3+] ZINC000844905745 948490295 /nfs/dbraw/zinc/49/02/95/948490295.db2.gz NARNRFQPPGVBIS-BXUZGUMPSA-N 2 0 359.264 1.959 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[NH+]3CCC(CC[NH3+])CC3)CC2)cc1 ZINC000846227788 950743442 /nfs/dbraw/zinc/74/34/42/950743442.db2.gz UNSLBNGIVXSHHF-UHFFFAOYSA-N 2 0 360.502 1.405 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)N3CC[NH+](C)CC3)cc2)CC1 ZINC001199143147 973944107 /nfs/dbraw/zinc/94/41/07/973944107.db2.gz CXQHEOQARTZHNH-UHFFFAOYSA-N 2 0 359.562 1.554 20 10 FDCDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254403 987545557 /nfs/dbraw/zinc/54/55/57/987545557.db2.gz CHMVFDXXFMTIDN-OTWHNJEPSA-N 2 0 358.486 1.900 20 10 FDCDRP COc1cccc(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)c1O ZINC000363534692 989276623 /nfs/dbraw/zinc/27/66/23/989276623.db2.gz NJUIPORSZHVFQF-UHFFFAOYSA-N 2 0 373.501 1.874 20 10 FDCDRP C[NH+]1CCN(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CC1 ZINC000877747221 993494960 /nfs/dbraw/zinc/49/49/60/993494960.db2.gz CRPQWIBFWITJAC-UHFFFAOYSA-N 2 0 358.530 1.735 20 10 FDCDRP CC[NH+](CC)CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000051589471 782506136 /nfs/dbraw/zinc/50/61/36/782506136.db2.gz OHAJRUGGMGQKIO-UHFFFAOYSA-N 2 0 362.518 1.665 20 10 FDCDRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000120350878 770091642 /nfs/dbraw/zinc/09/16/42/770091642.db2.gz JNUBMBGQZNLSDX-HXUWFJFHSA-N 2 0 356.514 1.929 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000891250259 774122697 /nfs/dbraw/zinc/12/26/97/774122697.db2.gz VYQLCDLRLPOZSU-LJQANCHMSA-N 2 0 372.517 1.543 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)C[N@H+](C)[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000891254622 774147501 /nfs/dbraw/zinc/14/75/01/774147501.db2.gz ZNOFHCLVTHWLPQ-ROUUACIJSA-N 2 0 364.559 1.909 20 10 FDCDRP CC[N@H+](CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000051688359 833519563 /nfs/dbraw/zinc/51/95/63/833519563.db2.gz KJPABKWSXXRURH-UHFFFAOYSA-N 2 0 374.529 1.808 20 10 FDCDRP C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC[NH+](C)CC1 ZINC000765979594 874064462 /nfs/dbraw/zinc/06/44/62/874064462.db2.gz MCWQRXYMNRUUOT-MRXNPFEDSA-N 2 0 365.543 1.741 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC000923379747 889056018 /nfs/dbraw/zinc/05/60/18/889056018.db2.gz LRWUNIIXFGLHJE-TZIWHRDSSA-N 2 0 374.529 1.006 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC000923417304 889155405 /nfs/dbraw/zinc/15/54/05/889155405.db2.gz WXUHTLMZRPBETD-CEWLAPEOSA-N 2 0 374.529 1.004 20 10 FDCDRP CN(C)c1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1F ZINC000816620944 942280757 /nfs/dbraw/zinc/28/07/57/942280757.db2.gz RWPUAQNWLYUDMX-UHFFFAOYSA-N 2 0 350.482 1.974 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]([NH3+])C3CCC3)CC2)cc1 ZINC000844191245 947830056 /nfs/dbraw/zinc/83/00/56/947830056.db2.gz JHNHHTMIWFADJX-LJQANCHMSA-N 2 0 360.502 1.451 20 10 FDCDRP CC(C)OCC[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775713404 971649996 /nfs/dbraw/zinc/64/99/96/971649996.db2.gz MMSIVHJPYFHVCL-UHFFFAOYSA-N 2 0 360.546 1.981 20 10 FDCDRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000883456663 982162703 /nfs/dbraw/zinc/16/27/03/982162703.db2.gz FGQXUVLKZVFUSI-SJLPKXTDSA-N 2 0 359.518 1.720 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)NCC[NH+](C)C)CC2)cc1 ZINC000133364307 982681757 /nfs/dbraw/zinc/68/17/57/982681757.db2.gz OUOMIBATGDNZDQ-UHFFFAOYSA-N 2 0 363.506 1.068 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[NH2+]CC3(C)C)CC2)cc1 ZINC000884233366 983007257 /nfs/dbraw/zinc/00/72/57/983007257.db2.gz PASRZHUFXKYMQB-IBGZPJMESA-N 2 0 374.529 1.569 20 10 FDCDRP COc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1O ZINC000369852619 989241989 /nfs/dbraw/zinc/24/19/89/989241989.db2.gz RQOHBUZTNOZLHJ-OAHLLOKOSA-N 2 0 362.474 1.369 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000364144694 989501427 /nfs/dbraw/zinc/50/14/27/989501427.db2.gz WJFBVPFJLRTDRB-IAGOWNOFSA-N 2 0 360.477 1.726 20 10 FDCDRP COc1c(O)c(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000877670034 993429100 /nfs/dbraw/zinc/42/91/00/993429100.db2.gz FXIBCRQHQVQWGQ-HUUCEWRRSA-N 2 0 366.462 1.480 20 10 FDCDRP COc1cc(O)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530249814 539920265 /nfs/dbraw/zinc/92/02/65/539920265.db2.gz YYZLKUQGOGDEHN-MRXNPFEDSA-N 2 0 350.459 2.000 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2F)CC1 ZINC000182884987 535880355 /nfs/dbraw/zinc/88/03/55/535880355.db2.gz AZFVLOSKUVOMIV-INIZCTEOSA-N 2 0 369.506 1.634 20 10 FDCDRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000289833680 537594881 /nfs/dbraw/zinc/59/48/81/537594881.db2.gz BJVNIMVYCLYDGU-VQTJNVASSA-N 2 0 374.529 1.712 20 10 FDCDRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000891739674 779224847 /nfs/dbraw/zinc/22/48/47/779224847.db2.gz UNDBVQHKAMYDMS-APWZRJJASA-N 2 0 371.529 1.850 20 10 FDCDRP COc1cc(C)cc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1O ZINC000894366506 817718738 /nfs/dbraw/zinc/71/87/38/817718738.db2.gz HJFVUVSYOQVIGJ-INIZCTEOSA-N 2 0 351.491 1.891 20 10 FDCDRP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)C[C@]2(C)C1 ZINC000896445138 824418652 /nfs/dbraw/zinc/41/86/52/824418652.db2.gz RTEPKWYIZWCMME-NQIIRXRSSA-N 2 0 371.529 1.532 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)NCC2=CC[N@H+](C)CC2)[NH+](C)C)cc1 ZINC000899104174 845777283 /nfs/dbraw/zinc/77/72/83/845777283.db2.gz QHZVWPLADLCGET-IBGZPJMESA-N 2 0 359.518 1.916 20 10 FDCDRP O[C@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1(O)CCC1 ZINC000905195151 851718716 /nfs/dbraw/zinc/71/87/16/851718716.db2.gz MZDDAUZJXDJDCA-HXUWFJFHSA-N 2 0 359.514 1.584 20 10 FDCDRP O[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1(O)CCC1 ZINC000905195149 851719135 /nfs/dbraw/zinc/71/91/35/851719135.db2.gz MZDDAUZJXDJDCA-FQEVSTJZSA-N 2 0 359.514 1.584 20 10 FDCDRP COC(=O)C[C@@]1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCOC1 ZINC000770673780 930176724 /nfs/dbraw/zinc/17/67/24/930176724.db2.gz HXBJNBPPYROJBH-FQEVSTJZSA-N 2 0 361.486 1.640 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](n4ncnn4)C3)cc2)CC1 ZINC001173736042 962604118 /nfs/dbraw/zinc/60/41/18/962604118.db2.gz XOVAYFYHPOUKIO-MJGOQNOKSA-N 2 0 355.490 1.698 20 10 FDCDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000925488574 970057130 /nfs/dbraw/zinc/05/71/30/970057130.db2.gz TWKORSSZRAJAKX-IRXDYDNUSA-N 2 0 365.543 1.917 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000866757597 976000130 /nfs/dbraw/zinc/00/01/30/976000130.db2.gz ZTBDJZJJRKVPRQ-KRWDZBQOSA-N 2 0 354.520 1.158 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000850397272 978357349 /nfs/dbraw/zinc/35/73/49/978357349.db2.gz UYNOSGWVPAQGLA-OAQYLSRUSA-N 2 0 358.530 1.781 20 10 FDCDRP Cc1noc([C@H]2OCC[C@H]2[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000858327037 981987807 /nfs/dbraw/zinc/98/78/07/981987807.db2.gz JZJBYRWULCRALJ-MSOLQXFVSA-N 2 0 357.458 1.750 20 10 FDCDRP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CC[NH+](C)CC1 ZINC000127815485 994978585 /nfs/dbraw/zinc/97/85/85/994978585.db2.gz ZVAJMHXGUXFECI-SJORKVTESA-N 2 0 364.509 1.949 20 10 FDCDRP C[NH+](C)C[C@H]1CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc2O1 ZINC000592961257 552049391 /nfs/dbraw/zinc/04/93/91/552049391.db2.gz JTPLXOQVFJAYTI-GJZGRUSLSA-N 2 0 369.469 1.689 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000826044694 608250716 /nfs/dbraw/zinc/25/07/16/608250716.db2.gz JDJWUWGCFMWWKT-UHFFFAOYSA-N 2 0 363.469 1.908 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000892938875 791800243 /nfs/dbraw/zinc/80/02/43/791800243.db2.gz GFHUKXPKSYCRGC-IEBWSBKVSA-N 2 0 357.502 1.332 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)cc2)CC1 ZINC000892940143 791820016 /nfs/dbraw/zinc/82/00/16/791820016.db2.gz RWJNVNDKBYNRPW-RBUKOAKNSA-N 2 0 357.502 1.474 20 10 FDCDRP COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1(F)F ZINC000895605944 822676750 /nfs/dbraw/zinc/67/67/50/822676750.db2.gz BYYLBRXPEJSDSQ-HZPDHXFCSA-N 2 0 353.413 1.582 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)C[C@H](O)CCO4)cc2)CC1 ZINC000897260654 827506533 /nfs/dbraw/zinc/50/65/33/827506533.db2.gz JPYBYEXKBWFZAE-HXUWFJFHSA-N 2 0 359.514 1.944 20 10 FDCDRP COC(=O)c1cc(C2C[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)[nH]n1 ZINC000898005340 840655263 /nfs/dbraw/zinc/65/52/63/840655263.db2.gz UQIXEYAWPLNGFI-UHFFFAOYSA-N 2 0 369.469 1.548 20 10 FDCDRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911665206 858877547 /nfs/dbraw/zinc/87/75/47/858877547.db2.gz BCCYYAOYCUEGKB-NQIIRXRSSA-N 2 0 368.481 1.678 20 10 FDCDRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817946303 943090606 /nfs/dbraw/zinc/09/06/06/943090606.db2.gz VVPZMWVEOZQVIO-ZDUSSCGKSA-N 2 0 356.264 1.627 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C3(C[NH3+])CCCC3)CC2)cc1 ZINC000844191945 947828634 /nfs/dbraw/zinc/82/86/34/947828634.db2.gz UOGKDWKYSJIHEA-UHFFFAOYSA-N 2 0 374.529 1.843 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](CC[NH3+])C3)CC2)cc1 ZINC000844223600 947857296 /nfs/dbraw/zinc/85/72/96/947857296.db2.gz ZWWBMNJSJHJKBE-KRWDZBQOSA-N 2 0 360.502 1.405 20 10 FDCDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000775712807 971660774 /nfs/dbraw/zinc/66/07/74/971660774.db2.gz IUKIYDUSMADCAQ-QGZVFWFLSA-N 2 0 351.516 1.305 20 10 FDCDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000854230141 968701057 /nfs/dbraw/zinc/70/10/57/968701057.db2.gz HNDGHTUDEUDWNV-PCCBWWKXSA-N 2 0 359.514 1.894 20 10 FDCDRP CN(C)c1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1F ZINC000863642897 973080213 /nfs/dbraw/zinc/08/02/13/973080213.db2.gz ZWPKFNZAXHYNHO-MSOLQXFVSA-N 2 0 362.449 1.649 20 10 FDCDRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CS1(=O)=O ZINC000850368880 978342062 /nfs/dbraw/zinc/34/20/62/978342062.db2.gz GHFVDVYKANMNDR-NVXWUHKLSA-N 2 0 351.516 1.494 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCN([C@H]4CCOC4)CC3)cc2)CC1 ZINC000850397271 978357574 /nfs/dbraw/zinc/35/75/74/978357574.db2.gz UYNOSGWVPAQGLA-NRFANRHFSA-N 2 0 358.530 1.781 20 10 FDCDRP C[NH2+]C[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000851654716 978985879 /nfs/dbraw/zinc/98/58/79/978985879.db2.gz HZFUKGYWKXNPKT-MRXNPFEDSA-N 2 0 363.506 1.114 20 10 FDCDRP C[C@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[N@H+](C)C1CC1 ZINC000883332534 982076350 /nfs/dbraw/zinc/07/63/50/982076350.db2.gz XASZQSHITRKZQN-MRXNPFEDSA-N 2 0 359.518 1.720 20 10 FDCDRP COCCC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[NH2+]CC1 ZINC000873225493 988658960 /nfs/dbraw/zinc/65/89/60/988658960.db2.gz ZYFCTNOWFHUUOM-UHFFFAOYSA-N 2 0 351.466 1.911 20 10 FDCDRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000876783974 992912067 /nfs/dbraw/zinc/91/20/67/992912067.db2.gz SJBQDOGUUTZCNL-FLSJAXMZSA-N 2 0 374.504 1.996 20 10 FDCDRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000878479794 993976721 /nfs/dbraw/zinc/97/67/21/993976721.db2.gz JDZUIPWBDAJTMT-IBGZPJMESA-N 2 0 373.545 1.968 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000925764213 995757395 /nfs/dbraw/zinc/75/73/95/995757395.db2.gz XFWXFFYUBOKAPG-QHAWAJNXSA-N 3 0 358.530 1.685 20 10 FDCDRP COc1ccc(N2CCC([NH2+]C[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC2)cc1 ZINC000925850871 995796628 /nfs/dbraw/zinc/79/66/28/995796628.db2.gz CNFYHAXKVRBVRI-IBGZPJMESA-N 2 0 373.497 1.939 20 10 FDCDRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1ccccc1O ZINC000263739053 537083966 /nfs/dbraw/zinc/08/39/66/537083966.db2.gz OFVTXXSJNUAJTO-UHFFFAOYSA-N 2 0 369.469 1.799 20 10 FDCDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614853508 555127687 /nfs/dbraw/zinc/12/76/87/555127687.db2.gz XTUDYZPPMCYLFF-INIZCTEOSA-N 2 0 372.513 1.447 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)CS(=O)(=O)CC)cc2F)CC1 ZINC000182885337 672219741 /nfs/dbraw/zinc/21/97/41/672219741.db2.gz HEMDLRKOJCKCRB-OAHLLOKOSA-N 2 0 371.522 1.880 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000892149679 781789862 /nfs/dbraw/zinc/78/98/62/781789862.db2.gz CIKHTLAOAXUIJL-OAHLLOKOSA-N 2 0 355.433 1.220 20 10 FDCDRP C[NH2+]C[C@H]1CCCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892938632 791793269 /nfs/dbraw/zinc/79/32/69/791793269.db2.gz BRHNGJFGXBIVGN-LJQANCHMSA-N 2 0 359.518 1.722 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000892940444 791815916 /nfs/dbraw/zinc/81/59/16/791815916.db2.gz WZBUUDYSMSTMGV-IHPCNDPISA-N 2 0 371.529 1.707 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)[NH+](C)C)cc1 ZINC000899095361 845756291 /nfs/dbraw/zinc/75/62/91/845756291.db2.gz IGBFVQXJTPSUMP-FBBABVLZSA-N 2 0 373.545 1.948 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)COCc3ccco3)cc2)CC1 ZINC000905426275 851932857 /nfs/dbraw/zinc/93/28/57/851932857.db2.gz HCKNKYJSWQEYJX-IBGZPJMESA-N 2 0 359.470 1.699 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CC3(CO)CCCC3)cc2)CC1 ZINC000905428005 851933684 /nfs/dbraw/zinc/93/36/84/851933684.db2.gz QGGCZGWVBLQZLZ-HXUWFJFHSA-N 2 0 361.530 1.832 20 10 FDCDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000769943470 929746081 /nfs/dbraw/zinc/74/60/81/929746081.db2.gz KYORLYUVUHULBI-LJQANCHMSA-N 3 0 359.562 1.554 20 10 FDCDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817893228 943067876 /nfs/dbraw/zinc/06/78/76/943067876.db2.gz QOSGVMFNIDSGDC-YJBOKZPZSA-N 2 0 351.516 1.399 20 10 FDCDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817936859 943086608 /nfs/dbraw/zinc/08/66/08/943086608.db2.gz VZXWZBHNWPWLNR-RVSPLBMKSA-N 2 0 355.429 1.643 20 10 FDCDRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817942587 943088987 /nfs/dbraw/zinc/08/89/87/943088987.db2.gz ATOOWGKXNPENDI-HNNXBMFYSA-N 2 0 352.910 1.732 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000844192032 947828967 /nfs/dbraw/zinc/82/89/67/947828967.db2.gz ZEQNIECSSGJODU-LPHOPBHVSA-N 2 0 360.502 1.322 20 10 FDCDRP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000844224461 947858239 /nfs/dbraw/zinc/85/82/39/947858239.db2.gz FNGRUUAMUFPQTF-CTNGQTDRSA-N 2 0 374.529 1.539 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000846227484 950745787 /nfs/dbraw/zinc/74/57/87/950745787.db2.gz SUAQBRUIZMPAGI-DFQSSKMNSA-N 2 0 374.529 1.730 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)cc2F)CC1 ZINC000852872835 967679020 /nfs/dbraw/zinc/67/90/20/967679020.db2.gz MAHGXSSWPMPPNJ-GOSISDBHSA-N 2 0 362.493 1.972 20 10 FDCDRP CC[NH+]1CCC(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000883065284 981921564 /nfs/dbraw/zinc/92/15/64/981921564.db2.gz GUAAAQKNQNJZNF-UHFFFAOYSA-N 2 0 359.518 1.722 20 10 FDCDRP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883779010 982463741 /nfs/dbraw/zinc/46/37/41/982463741.db2.gz MQRLBQBGDOMMNS-GOSISDBHSA-N 2 0 359.518 1.722 20 10 FDCDRP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872255347 987547265 /nfs/dbraw/zinc/54/72/65/987547265.db2.gz CIEYCXDIYWLEDO-KPPNVPOGSA-N 2 0 356.470 1.633 20 10 FDCDRP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255871 987548281 /nfs/dbraw/zinc/54/82/81/987548281.db2.gz NIWZQYFFKKPOQM-GUTXKFCHSA-N 2 0 367.833 1.421 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[NH2+]CC3CC3)CC2)cc1 ZINC000269281746 537019296 /nfs/dbraw/zinc/01/92/96/537019296.db2.gz FXQKMQMYHIZVMH-UHFFFAOYSA-N 2 0 360.502 1.323 20 10 FDCDRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000237823155 537641878 /nfs/dbraw/zinc/64/18/78/537641878.db2.gz DDBCETSGFSDCLG-ALOPSCKCSA-N 2 0 360.477 1.772 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000826045490 608250812 /nfs/dbraw/zinc/25/08/12/608250812.db2.gz WWYSBTVBVFJWOD-UHFFFAOYSA-N 2 0 363.469 1.908 20 10 FDCDRP C[NH+]1CCC(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000905529075 852022522 /nfs/dbraw/zinc/02/25/22/852022522.db2.gz HWCHTAKZGSHMSV-UHFFFAOYSA-N 2 0 361.559 1.497 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)COc2ccc(CCC[NH3+])cc2)cc1 ZINC000911666443 858878914 /nfs/dbraw/zinc/87/89/14/858878914.db2.gz IJFYBLMPIXEYRN-HXUWFJFHSA-N 2 0 370.497 1.839 20 10 FDCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[N@@H+]1C ZINC000765978160 874034608 /nfs/dbraw/zinc/03/46/08/874034608.db2.gz LXHFSJPBLDTFIP-RDJZCZTQSA-N 2 0 351.516 1.494 20 10 FDCDRP [NH3+]CCN(CC[NH3+])Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001235877312 878102062 /nfs/dbraw/zinc/10/20/62/878102062.db2.gz OKCHMPFURQZZHS-UHFFFAOYSA-N 2 0 357.296 1.005 20 10 FDCDRP C[NH+](C)CCn1nccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918845477 884966146 /nfs/dbraw/zinc/96/61/46/884966146.db2.gz LXJULJGALGPBMY-UHFFFAOYSA-N 2 0 370.501 1.127 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923364750 889009199 /nfs/dbraw/zinc/00/91/99/889009199.db2.gz QTLHLNBHCVIYKQ-NSHGMRRFSA-N 2 0 374.529 1.004 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000808427177 940544754 /nfs/dbraw/zinc/54/47/54/940544754.db2.gz LDTANYXQBYDJGK-QGZVFWFLSA-N 2 0 351.516 1.353 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](n4cc(CO)nn4)C3)cc2)CC1 ZINC000816641780 942284514 /nfs/dbraw/zinc/28/45/14/942284514.db2.gz GIWXZSKFPGQGFF-FQEVSTJZSA-N 2 0 370.501 1.359 20 10 FDCDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892213 943067190 /nfs/dbraw/zinc/06/71/90/943067190.db2.gz KRCXVIFKUXFBFQ-AEFFLSMTSA-N 2 0 351.516 1.529 20 10 FDCDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817936850 943086773 /nfs/dbraw/zinc/08/67/73/943086773.db2.gz VZXWZBHNWPWLNR-DXCKQFNASA-N 2 0 355.429 1.643 20 10 FDCDRP CS(=O)(=O)CC[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819200135 943472040 /nfs/dbraw/zinc/47/20/40/943472040.db2.gz KZZYYTXNXBPNHK-UHFFFAOYSA-N 2 0 351.516 1.353 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC000844190531 947826538 /nfs/dbraw/zinc/82/65/38/947826538.db2.gz AYKDJYSUPFMXGL-TZIWHRDSSA-N 2 0 372.513 1.323 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000844192034 947829653 /nfs/dbraw/zinc/82/96/53/947829653.db2.gz ZEQNIECSSGJODU-VQIMIIECSA-N 2 0 360.502 1.322 20 10 FDCDRP COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674628 951439028 /nfs/dbraw/zinc/43/90/28/951439028.db2.gz QYIGCXLSFUFYTQ-PMACEKPBSA-N 2 0 372.513 1.464 20 10 FDCDRP O=CN1CCC([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000774269308 961958577 /nfs/dbraw/zinc/95/85/77/961958577.db2.gz YSDBEHGXFFVHKT-UHFFFAOYSA-N 2 0 356.514 1.929 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[N@@H+]3C(C)C)CC2)cc1 ZINC001182861961 962606075 /nfs/dbraw/zinc/60/60/75/962606075.db2.gz MITWUCJERDVUMQ-FQEVSTJZSA-N 2 0 374.529 1.806 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000852792302 967611075 /nfs/dbraw/zinc/61/10/75/967611075.db2.gz VDGKGTLXWMBDKN-DLBZAZTESA-N 2 0 371.489 1.089 20 10 FDCDRP CN(C)C(=O)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[nH]1 ZINC000883283763 982044398 /nfs/dbraw/zinc/04/43/98/982044398.db2.gz RZGIRFGDVJJBFP-UHFFFAOYSA-N 2 0 355.486 1.758 20 10 FDCDRP Cn1cnc(CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000883739436 982428334 /nfs/dbraw/zinc/42/83/34/982428334.db2.gz YMZXQUWDDOSYFQ-UHFFFAOYSA-N 2 0 356.474 1.214 20 10 FDCDRP CCN(CC[NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000861574284 983783017 /nfs/dbraw/zinc/78/30/17/983783017.db2.gz RAZWMDYHZONJRB-UHFFFAOYSA-N 2 0 351.470 1.458 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000876506164 992672644 /nfs/dbraw/zinc/67/26/44/992672644.db2.gz GJRZBBGKHHXXBS-PMACEKPBSA-N 2 0 369.513 1.328 20 10 FDCDRP C[NH+](C)C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C[NH+](C)C ZINC000877670894 993430135 /nfs/dbraw/zinc/43/01/35/993430135.db2.gz QVYCWMHQEMWFAQ-WOJBJXKFSA-N 2 0 374.573 1.819 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2F)CC1 ZINC000073455961 522531293 /nfs/dbraw/zinc/53/12/93/522531293.db2.gz IWZSWBKVLCAMPB-UHFFFAOYSA-N 2 0 362.493 1.926 20 10 FDCDRP [NH3+]CC1(N(Cc2ccccc2)c2ccc(CN3CC[NH2+]CC3)cc2)COC1 ZINC001167374572 773981781 /nfs/dbraw/zinc/98/17/81/773981781.db2.gz LVHSGDAUGMWAOT-UHFFFAOYSA-N 2 0 366.509 1.826 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2F)CC1 ZINC000891526601 778213089 /nfs/dbraw/zinc/21/30/89/778213089.db2.gz CHVMSAJGGCBXAY-HOTGVXAUSA-N 2 0 361.465 1.223 20 10 FDCDRP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892938852 791799992 /nfs/dbraw/zinc/79/99/92/791799992.db2.gz FMDQOJMVPGBGDN-IBGZPJMESA-N 2 0 359.518 1.722 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)cc2)CC1 ZINC000896445083 824418099 /nfs/dbraw/zinc/41/80/99/824418099.db2.gz REAXFTRNJLLMIW-WOJBJXKFSA-N 2 0 371.529 1.817 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000899102074 845774303 /nfs/dbraw/zinc/77/43/03/845774303.db2.gz JVURNBHFIUFGHA-LPHOPBHVSA-N 2 0 361.534 1.948 20 10 FDCDRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000904390570 851173911 /nfs/dbraw/zinc/17/39/11/851173911.db2.gz AWEDMWRTUZPAJF-KRWDZBQOSA-N 2 0 363.477 1.992 20 10 FDCDRP CN(CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cc[nH+]cc1 ZINC000918857342 884963490 /nfs/dbraw/zinc/96/34/90/884963490.db2.gz MKKJULWMBYWVAB-UHFFFAOYSA-N 2 0 367.497 1.976 20 10 FDCDRP CC[C@H](C(=O)NCc1cc(NC(=O)[C@H](CC)[NH+](C)C)ccc1O)[NH+](C)C ZINC000923122017 888093358 /nfs/dbraw/zinc/09/33/58/888093358.db2.gz LTRHMMGYXDFYHK-CVEARBPZSA-N 2 0 364.490 1.627 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000923400655 889136783 /nfs/dbraw/zinc/13/67/83/889136783.db2.gz XLQUZSVFAFPVBF-AZUAARDMSA-N 2 0 374.529 1.052 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)cc2)CC1 ZINC000775659842 970994663 /nfs/dbraw/zinc/99/46/63/970994663.db2.gz PJFGHRVKJTZJAR-NRFANRHFSA-N 2 0 358.530 1.735 20 10 FDCDRP CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC12COC2 ZINC000824489643 946472188 /nfs/dbraw/zinc/47/21/88/946472188.db2.gz NXWDWQLGGOQOKU-IBGZPJMESA-N 2 0 373.497 1.450 20 10 FDCDRP CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825280222 947104319 /nfs/dbraw/zinc/10/43/19/947104319.db2.gz YZOQVGLHBUDZLH-GOSISDBHSA-N 2 0 359.518 1.674 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CC2)cc1 ZINC000844192043 947829634 /nfs/dbraw/zinc/82/96/34/947829634.db2.gz ZRMOBBZLPQWEEN-PXNSSMCTSA-N 2 0 374.529 1.712 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000844226255 947863906 /nfs/dbraw/zinc/86/39/06/947863906.db2.gz KTBZLQFVJFWEQU-CTNGQTDRSA-N 2 0 374.529 1.587 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000852792304 967611240 /nfs/dbraw/zinc/61/12/40/967611240.db2.gz VDGKGTLXWMBDKN-IRXDYDNUSA-N 2 0 371.489 1.089 20 10 FDCDRP Cc1cc(N(C)C)ccc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863643310 973080255 /nfs/dbraw/zinc/08/02/55/973080255.db2.gz KNDDJLFWNZWURK-MOPGFXCFSA-N 2 0 358.486 1.818 20 10 FDCDRP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC3(C1)CC[NH+](C)CC3)cc2=O ZINC000878865752 994300230 /nfs/dbraw/zinc/30/02/30/994300230.db2.gz COCKEGOEDBVIRP-UHFFFAOYSA-N 2 0 373.457 1.529 20 10 FDCDRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663658 998513881 /nfs/dbraw/zinc/51/38/81/998513881.db2.gz TWBTVUZNVWDXOQ-GOSISDBHSA-N 2 0 359.518 1.674 20 10 FDCDRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248404 774097353 /nfs/dbraw/zinc/09/73/53/774097353.db2.gz LJEHPNQMHLJGJO-LPHOPBHVSA-N 2 0 362.518 1.440 20 10 FDCDRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248407 774097611 /nfs/dbraw/zinc/09/76/11/774097611.db2.gz LJEHPNQMHLJGJO-VQIMIIECSA-N 2 0 362.518 1.440 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2F)CC1 ZINC000891529163 778223980 /nfs/dbraw/zinc/22/39/80/778223980.db2.gz UXAAXOFGCATXAH-HOCLYGCPSA-N 2 0 363.481 1.599 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237834400 835299967 /nfs/dbraw/zinc/29/99/67/835299967.db2.gz VQVXVKIUVXHUIL-LJQANCHMSA-N 2 0 368.456 1.566 20 10 FDCDRP C[NH+](C)CCn1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000918844318 884965213 /nfs/dbraw/zinc/96/52/13/884965213.db2.gz CUBCSTVUBHTYSB-UHFFFAOYSA-N 2 0 370.501 1.127 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300380 888786612 /nfs/dbraw/zinc/78/66/12/888786612.db2.gz QSCXMBWBNYBLIK-ICSRJNTNSA-N 2 0 364.534 1.141 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC000923381550 889058603 /nfs/dbraw/zinc/05/86/03/889058603.db2.gz JKUXVKMXAKLRBR-DFQSSKMNSA-N 2 0 362.518 1.038 20 10 FDCDRP C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789766323 933169807 /nfs/dbraw/zinc/16/98/07/933169807.db2.gz YWMGRNCLZCQABI-UHFFFAOYSA-N 2 0 360.546 1.981 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)CC1 ZINC000813792577 941471283 /nfs/dbraw/zinc/47/12/83/941471283.db2.gz RVKGTZGZMRQBOP-RTBURBONSA-N 2 0 365.543 1.884 20 10 FDCDRP CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@H]2C1 ZINC000816639546 942282420 /nfs/dbraw/zinc/28/24/20/942282420.db2.gz WFJNPNCLZFYOGP-LEWJYISDSA-N 2 0 358.530 1.733 20 10 FDCDRP Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000775722885 971736392 /nfs/dbraw/zinc/73/63/92/971736392.db2.gz FQITUAMAUCRLGV-UHFFFAOYSA-N 2 0 353.470 1.090 20 10 FDCDRP COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674629 951438602 /nfs/dbraw/zinc/43/86/02/951438602.db2.gz QYIGCXLSFUFYTQ-UXHICEINSA-N 2 0 372.513 1.464 20 10 FDCDRP CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H]([NH3+])C1 ZINC000925488576 970087489 /nfs/dbraw/zinc/08/74/89/970087489.db2.gz TWKORSSZRAJAKX-SJORKVTESA-N 2 0 365.543 1.917 20 10 FDCDRP O[C@H](CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C[NH+]1CCCC1 ZINC000863553732 973011246 /nfs/dbraw/zinc/01/12/46/973011246.db2.gz IZTCXQBYHFIJPM-JOCHJYFZSA-N 2 0 372.557 1.765 20 10 FDCDRP COCCCn1nccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283773 982045340 /nfs/dbraw/zinc/04/53/40/982045340.db2.gz SLKFKMMNYJHZTE-UHFFFAOYSA-N 2 0 357.502 1.961 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OCC(N)=O)cc3)cc2)CC1 ZINC000883284512 982045406 /nfs/dbraw/zinc/04/54/06/982045406.db2.gz PFHSAZJFKRVDTQ-UHFFFAOYSA-N 2 0 368.481 1.592 20 10 FDCDRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000861615747 983792641 /nfs/dbraw/zinc/79/26/41/983792641.db2.gz WAOWTFGNEJFSDD-OXJNMPFZSA-N 2 0 371.529 1.768 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)cc2)CC1 ZINC000925762346 995755041 /nfs/dbraw/zinc/75/50/41/995755041.db2.gz JDMDIZNODPFAHC-HBMCJLEFSA-N 2 0 358.530 1.685 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)/C=C/C[NH+](C)C)CC2)cc1 ZINC000264629952 997559965 /nfs/dbraw/zinc/55/99/65/997559965.db2.gz NSQHVQCERLUWED-GQCTYLIASA-N 2 0 360.502 1.441 20 10 FDCDRP C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)[N@H+]1C ZINC000889662427 998512791 /nfs/dbraw/zinc/51/27/91/998512791.db2.gz DBFAYEIIEBOJNE-CALCHBBNSA-N 2 0 359.518 1.672 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000892266088 782975231 /nfs/dbraw/zinc/97/52/31/782975231.db2.gz AHNMINBJKKGLBK-SFHVURJKSA-N 2 0 357.502 1.380 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(CC[NH3+])CC3)cc2)CC1 ZINC000892940442 791814706 /nfs/dbraw/zinc/81/47/06/791814706.db2.gz WVZUBGHMRQJEBL-UHFFFAOYSA-N 2 0 359.518 1.709 20 10 FDCDRP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925679487 795844810 /nfs/dbraw/zinc/84/48/10/795844810.db2.gz ZOODXEBRZAPIIW-LJQANCHMSA-N 2 0 356.514 1.833 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CO[C@H](C[NH3+])C4)CC3)cc2)CC1 ZINC000904391461 851174565 /nfs/dbraw/zinc/17/45/65/851174565.db2.gz GNBZIJVEGGHEFL-FQEVSTJZSA-N 3 0 358.530 1.768 20 10 FDCDRP Cc1nccc(N2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)n1 ZINC000761224935 864434663 /nfs/dbraw/zinc/43/46/63/864434663.db2.gz CSOSQTNVDHVCIA-UHFFFAOYSA-N 2 0 366.513 1.859 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCN3C3CCOCC3)cc2)CC1 ZINC000922954242 887357388 /nfs/dbraw/zinc/35/73/88/887357388.db2.gz PMTSHWUIFQEVTJ-NRFANRHFSA-N 2 0 358.530 1.781 20 10 FDCDRP COCCNC(=O)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775648718 970818970 /nfs/dbraw/zinc/81/89/70/970818970.db2.gz WGABZTRJDKADOZ-UHFFFAOYSA-N 2 0 374.529 1.413 20 10 FDCDRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000817939170 943088337 /nfs/dbraw/zinc/08/83/37/943088337.db2.gz ACOWWIIBAMKDQL-CRAIPNDOSA-N 2 0 362.518 1.663 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000844191340 947830879 /nfs/dbraw/zinc/83/08/79/947830879.db2.gz MIPHOJXWMYUEDM-SFHVURJKSA-N 2 0 360.502 1.322 20 10 FDCDRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883331459 982073664 /nfs/dbraw/zinc/07/36/64/982073664.db2.gz YMYOJDQMYNSBTA-LJQANCHMSA-N 2 0 373.545 1.970 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000299582053 988606252 /nfs/dbraw/zinc/60/62/52/988606252.db2.gz VGUZIZUALUVEHG-IBGZPJMESA-N 2 0 360.502 1.418 20 10 FDCDRP COc1cc(O)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530249813 539920836 /nfs/dbraw/zinc/92/08/36/539920836.db2.gz YYZLKUQGOGDEHN-INIZCTEOSA-N 2 0 350.459 2.000 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)NCC[NH+](C)C)cc2F)CC1 ZINC000133634501 526078836 /nfs/dbraw/zinc/07/88/36/526078836.db2.gz QKCHXSTWECBJLC-UHFFFAOYSA-N 2 0 351.470 1.328 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)C)CC2)cc1 ZINC000269315025 537019176 /nfs/dbraw/zinc/01/91/76/537019176.db2.gz YWNLDCQEAXLRRC-GOSISDBHSA-N 2 0 362.518 1.697 20 10 FDCDRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc(O)c1O ZINC000280382905 537404874 /nfs/dbraw/zinc/40/48/74/537404874.db2.gz DVRAHOZKJYZQRO-UHFFFAOYSA-N 2 0 356.426 1.435 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000292100002 537708760 /nfs/dbraw/zinc/70/87/60/537708760.db2.gz OIDPSLFHYNMJRM-SFHVURJKSA-N 2 0 374.529 1.856 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(C[NH3+])cc3)cc2)CC1 ZINC000892209721 782235014 /nfs/dbraw/zinc/23/50/14/782235014.db2.gz GTZGEZVQPMECJD-UHFFFAOYSA-N 2 0 367.497 1.897 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)cc2)CC1 ZINC000892939397 791803983 /nfs/dbraw/zinc/80/39/83/791803983.db2.gz JOACEMBASKTZHH-ICSRJNTNSA-N 2 0 357.502 1.522 20 10 FDCDRP COc1ccc(N2CCC([NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000128058199 843127237 /nfs/dbraw/zinc/12/72/37/843127237.db2.gz FJQITBYTFAWLMG-QGZVFWFLSA-N 2 0 374.529 1.841 20 10 FDCDRP CC[C@@H](C(=O)NCc1cc(NC(=O)[C@H](CC)[NH+](C)C)ccc1O)[NH+](C)C ZINC000923122018 888094116 /nfs/dbraw/zinc/09/41/16/888094116.db2.gz LTRHMMGYXDFYHK-HOTGVXAUSA-N 2 0 364.490 1.627 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923449198 889300034 /nfs/dbraw/zinc/30/00/34/889300034.db2.gz LIIBQMALRKPOLT-SFHVURJKSA-N 2 0 360.502 1.199 20 10 FDCDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000741078691 925572952 /nfs/dbraw/zinc/57/29/52/925572952.db2.gz OGJPPMLKOOWETI-UHFFFAOYSA-N 2 0 361.534 1.922 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](n4cc(CO)nn4)C3)cc2)CC1 ZINC000816641781 942284736 /nfs/dbraw/zinc/28/47/36/942284736.db2.gz GIWXZSKFPGQGFF-HXUWFJFHSA-N 2 0 370.501 1.359 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(=O)n4ccccc4n3)cc2)CC1 ZINC000846108452 950507966 /nfs/dbraw/zinc/50/79/66/950507966.db2.gz DUMCAUXDRGWOFI-UHFFFAOYSA-N 2 0 363.465 1.736 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])CC2)cc1 ZINC000846225894 950737527 /nfs/dbraw/zinc/73/75/27/950737527.db2.gz HAVNQIUIACKFRH-XLIONFOSSA-N 2 0 374.529 1.793 20 10 FDCDRP C[NH+](C)CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000119117507 972376932 /nfs/dbraw/zinc/37/69/32/972376932.db2.gz MTRNFBXIIAHYCX-UHFFFAOYSA-N 2 0 359.518 1.579 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC(=O)NCc3ccccc3)cc2)CC1 ZINC001177244817 963732347 /nfs/dbraw/zinc/73/23/47/963732347.db2.gz HAJCVJXGTNWPOX-UHFFFAOYSA-N 2 0 352.482 1.844 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(N4CCNC4=O)CC3)cc2)CC1 ZINC000775631675 970651420 /nfs/dbraw/zinc/65/14/20/970651420.db2.gz UIQZXHMKTLYFQC-UHFFFAOYSA-N 2 0 357.502 1.428 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])N3CCO[C@H](C)C3)cc2F)CC1 ZINC000849095106 977313173 /nfs/dbraw/zinc/31/31/73/977313173.db2.gz XTAGDODXBBHXCR-OAHLLOKOSA-N 2 0 363.481 1.713 20 10 FDCDRP C[NH+](C)C1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000883636709 982331926 /nfs/dbraw/zinc/33/19/26/982331926.db2.gz YCLHKMOOWLSRLJ-UHFFFAOYSA-N 2 0 359.518 1.722 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3C[NH2+]CC3(C)C)CC2)cc1 ZINC000884233367 983007598 /nfs/dbraw/zinc/00/75/98/983007598.db2.gz PASRZHUFXKYMQB-LJQANCHMSA-N 2 0 374.529 1.569 20 10 FDCDRP COc1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873008748 988404840 /nfs/dbraw/zinc/40/48/40/988404840.db2.gz CHWJDTIVCUGIOM-UHFFFAOYSA-N 2 0 357.502 1.667 20 10 FDCDRP CC[N@@H+]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889666808 998517701 /nfs/dbraw/zinc/51/77/01/998517701.db2.gz RMVAVRBPYASIGH-UHFFFAOYSA-N 2 0 359.518 1.676 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000178872221 525496140 /nfs/dbraw/zinc/49/61/40/525496140.db2.gz IXCBUBQLNYUOBV-QGZVFWFLSA-N 2 0 360.502 1.323 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)c3c[nH+]ccc3N)CC2)cc1 ZINC000275387185 771772949 /nfs/dbraw/zinc/77/29/49/771772949.db2.gz AIVJLNLKQXPLJJ-UHFFFAOYSA-N 2 0 369.469 1.615 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)[NH+](C)C)cc1 ZINC000891245248 774078913 /nfs/dbraw/zinc/07/89/13/774078913.db2.gz BGLDGFRZZMKDBR-OALUTQOASA-N 2 0 360.502 1.192 20 10 FDCDRP CCC1([NH3+])CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000892935296 791763979 /nfs/dbraw/zinc/76/39/79/791763979.db2.gz QDOZZLBHFIUKMI-UHFFFAOYSA-N 2 0 359.518 1.851 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(N4CN=NC4=O)CC3)cc2)CC1 ZINC000894609497 818232418 /nfs/dbraw/zinc/23/24/18/818232418.db2.gz XZVMKWNHJRTHDC-UHFFFAOYSA-N 2 0 356.474 1.573 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC[N@@H+]3C)cc2F)CC1 ZINC000917233940 883253449 /nfs/dbraw/zinc/25/34/49/883253449.db2.gz ZGAMRDLDCUERTH-INIZCTEOSA-N 2 0 363.481 1.471 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000923400657 889136984 /nfs/dbraw/zinc/13/69/84/889136984.db2.gz XLQUZSVFAFPVBF-ICSRJNTNSA-N 2 0 374.529 1.052 20 10 FDCDRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817945835 943090405 /nfs/dbraw/zinc/09/04/05/943090405.db2.gz NCHQIFSHGXELJM-CQSZACIVSA-N 2 0 366.893 1.259 20 10 FDCDRP CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC12COC2 ZINC000824489645 946472514 /nfs/dbraw/zinc/47/25/14/946472514.db2.gz NXWDWQLGGOQOKU-LJQANCHMSA-N 2 0 373.497 1.450 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)cc2F)CC1 ZINC000852872843 967678722 /nfs/dbraw/zinc/67/87/22/967678722.db2.gz MAHGXSSWPMPPNJ-SFHVURJKSA-N 2 0 362.493 1.972 20 10 FDCDRP COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248551 967943935 /nfs/dbraw/zinc/94/39/35/967943935.db2.gz HLNBTZVWPQNBJL-OAHLLOKOSA-N 2 0 371.485 1.913 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C3([NH+](C)C)CC3)CC2)cc1 ZINC000854308894 968762161 /nfs/dbraw/zinc/76/21/61/968762161.db2.gz CZAOSUKJUCJRCL-UHFFFAOYSA-N 2 0 360.502 1.418 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)C[NH2+]C)cc2F)CC1 ZINC000851657276 978986627 /nfs/dbraw/zinc/98/66/27/978986627.db2.gz WDWFLEFTGWJDSP-CQSZACIVSA-N 2 0 351.470 1.375 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883133932 981970808 /nfs/dbraw/zinc/97/08/08/981970808.db2.gz KZLLKQPYFWKTCK-UYAOXDASSA-N 2 0 371.529 1.864 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C3(C[NH+](C)C)CC3)CC2)cc1 ZINC000873845644 989314130 /nfs/dbraw/zinc/31/41/30/989314130.db2.gz WMXAMIYOLDGYRL-UHFFFAOYSA-N 2 0 374.529 1.665 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000876506852 992672597 /nfs/dbraw/zinc/67/25/97/992672597.db2.gz PHUQQQKPTDEIRZ-HXUWFJFHSA-N 2 0 352.482 1.757 20 10 FDCDRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000878426796 993951356 /nfs/dbraw/zinc/95/13/56/993951356.db2.gz PHUUTJKPHYZYOT-LJQANCHMSA-N 2 0 373.545 1.970 20 10 FDCDRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000289833671 537594981 /nfs/dbraw/zinc/59/49/81/537594981.db2.gz BJVNIMVYCLYDGU-PMACEKPBSA-N 2 0 374.529 1.712 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000891250258 774122547 /nfs/dbraw/zinc/12/25/47/774122547.db2.gz VYQLCDLRLPOZSU-IBGZPJMESA-N 2 0 372.517 1.543 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000892274621 783215465 /nfs/dbraw/zinc/21/54/65/783215465.db2.gz QFCPTFNJPJUYNB-SFHVURJKSA-N 2 0 357.502 1.522 20 10 FDCDRP COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1C ZINC000895607732 822670312 /nfs/dbraw/zinc/67/03/12/822670312.db2.gz UZJOJWUUGPOXOI-UHFFFAOYSA-N 2 0 356.470 1.853 20 10 FDCDRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896443763 824416871 /nfs/dbraw/zinc/41/68/71/824416871.db2.gz BYHWVSHDGVNOCY-KRWDZBQOSA-N 2 0 359.518 1.722 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)cc2)CC1 ZINC000896444915 824417983 /nfs/dbraw/zinc/41/79/83/824417983.db2.gz REAXFTRNJLLMIW-PMACEKPBSA-N 2 0 371.529 1.817 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)C[C@@H](O)CCO4)cc2)CC1 ZINC000897260653 827506340 /nfs/dbraw/zinc/50/63/40/827506340.db2.gz JPYBYEXKBWFZAE-FQEVSTJZSA-N 2 0 359.514 1.944 20 10 FDCDRP CN(C)c1ccc([C@H](CNS(=O)(=O)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000908459198 855443650 /nfs/dbraw/zinc/44/36/50/855443650.db2.gz AXXLNRNKQQVUCX-KRWDZBQOSA-N 2 0 356.536 1.226 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000063465111 865976551 /nfs/dbraw/zinc/97/65/51/865976551.db2.gz MYELJJSWVQOADM-UHFFFAOYSA-N 2 0 362.518 1.664 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923291094 888774322 /nfs/dbraw/zinc/77/43/22/888774322.db2.gz AZOQKGJBSRQKBM-WSTZPKSXSA-N 2 0 374.529 1.004 20 10 FDCDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809743295 940894352 /nfs/dbraw/zinc/89/43/52/940894352.db2.gz VISMLYGSKMOQQA-UHFFFAOYSA-N 3 0 359.562 1.508 20 10 FDCDRP COc1ccc(N2CCN(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CC2)cc1 ZINC000817893227 943067453 /nfs/dbraw/zinc/06/74/53/943067453.db2.gz FSTKCCVYFLOPDO-LSTHTHJFSA-N 2 0 362.518 1.159 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000844162697 947842682 /nfs/dbraw/zinc/84/26/82/947842682.db2.gz MMBZNWMPSUYVDP-IBGZPJMESA-N 2 0 374.529 1.904 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000844225497 947861632 /nfs/dbraw/zinc/86/16/32/947861632.db2.gz BSWADNAKXDGMEL-ICSRJNTNSA-N 2 0 374.529 1.587 20 10 FDCDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510465 949792693 /nfs/dbraw/zinc/79/26/93/949792693.db2.gz ZFPJXTMFCOASGZ-YWZLYKJASA-N 2 0 362.470 1.984 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]CC3)cc2F)CC1 ZINC000846674399 951437678 /nfs/dbraw/zinc/43/76/78/951437678.db2.gz OQDLITFDTPDQOE-QGZVFWFLSA-N 2 0 362.493 1.974 20 10 FDCDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774959537 964240913 /nfs/dbraw/zinc/24/09/13/964240913.db2.gz DMQCNUGCLICYAJ-ZDUSSCGKSA-N 2 0 352.435 1.425 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)[NH+](C)C)cc1 ZINC001180178555 965128099 /nfs/dbraw/zinc/12/80/99/965128099.db2.gz CQAHYEVFDZVMBD-AEFFLSMTSA-N 2 0 350.482 1.905 20 10 FDCDRP C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnccc1N ZINC000854220956 968696537 /nfs/dbraw/zinc/69/65/37/968696537.db2.gz CVLMWWWQWFXELB-AWEZNQCLSA-N 2 0 360.483 1.580 20 10 FDCDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000925488573 970057278 /nfs/dbraw/zinc/05/72/78/970057278.db2.gz TWKORSSZRAJAKX-IAGOWNOFSA-N 2 0 365.543 1.917 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2F)CC1 ZINC000848414988 976722981 /nfs/dbraw/zinc/72/29/81/976722981.db2.gz GSLSHJFCHFAYAY-UTKZUKDTSA-N 2 0 374.504 1.974 20 10 FDCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCS(=O)(=O)CC1 ZINC000883290275 982047651 /nfs/dbraw/zinc/04/76/51/982047651.db2.gz QEJFIRBWWRFOPA-INIZCTEOSA-N 2 0 365.543 1.741 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CC3(C)C)cc2F)CC1 ZINC000884236284 983013865 /nfs/dbraw/zinc/01/38/65/983013865.db2.gz QHHVPZOZOKKWAK-MRXNPFEDSA-N 2 0 362.493 1.829 20 10 FDCDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254404 987545468 /nfs/dbraw/zinc/54/54/68/987545468.db2.gz CHMVFDXXFMTIDN-QRVBRYPASA-N 2 0 358.486 1.900 20 10 FDCDRP COc1cc(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OC ZINC000371357863 990379403 /nfs/dbraw/zinc/37/94/03/990379403.db2.gz RULXNBOKGSMFAF-WBVHZDCISA-N 2 0 363.502 1.867 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000876506167 992672525 /nfs/dbraw/zinc/67/25/25/992672525.db2.gz GJRZBBGKHHXXBS-WOJBJXKFSA-N 2 0 369.513 1.328 20 10 FDCDRP CCOC(=O)[C@]1(C)CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000877703961 993456165 /nfs/dbraw/zinc/45/61/65/993456165.db2.gz GWAJQIULYJFLQD-FQEVSTJZSA-N 2 0 361.486 1.592 20 10 FDCDRP CN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000889669230 998519325 /nfs/dbraw/zinc/51/93/25/998519325.db2.gz CLXNKOOXVZACDU-FQEVSTJZSA-N 2 0 371.529 1.817 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCCC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000892162687 781924876 /nfs/dbraw/zinc/92/48/76/781924876.db2.gz CMYPLIMQPBVTMV-GOSISDBHSA-N 2 0 359.518 1.770 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C3CC[NH+](C)CC3)CC2)cc1 ZINC000174454660 524582064 /nfs/dbraw/zinc/58/20/64/524582064.db2.gz JGSZFCCRZAYVGZ-UHFFFAOYSA-N 2 0 374.529 1.665 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)CS(C)(=O)=O)cc2F)CC1 ZINC000182885145 535880386 /nfs/dbraw/zinc/88/03/86/535880386.db2.gz MRALDFCVTASIKP-CQSZACIVSA-N 2 0 357.495 1.490 20 10 FDCDRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000269075029 537018988 /nfs/dbraw/zinc/01/89/88/537018988.db2.gz YETNIGDIPFRDCD-OAHLLOKOSA-N 2 0 351.466 1.770 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC4(C3)CC[NH2+]CC4)cc2)CC1 ZINC000892940134 791820027 /nfs/dbraw/zinc/82/00/27/791820027.db2.gz RSOHTKFVWJVFPR-UHFFFAOYSA-N 2 0 371.529 1.724 20 10 FDCDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841102103 828678114 /nfs/dbraw/zinc/67/81/14/828678114.db2.gz CBIVXPMGMUCKEX-KRWDZBQOSA-N 2 0 361.490 1.082 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC3(O)CCCCC3)cc2)CC1 ZINC000905428744 851934478 /nfs/dbraw/zinc/93/44/78/851934478.db2.gz VPCCTMZHMUJFOJ-FQEVSTJZSA-N 2 0 361.530 1.974 20 10 FDCDRP CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000775724194 971739739 /nfs/dbraw/zinc/73/97/39/971739739.db2.gz MKAXALJNGBLBCL-UHFFFAOYSA-N 2 0 367.497 1.573 20 10 FDCDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)CC1 ZINC001177791471 963971907 /nfs/dbraw/zinc/97/19/07/963971907.db2.gz ZBGGHVJKPDYFSW-HXUWFJFHSA-N 3 0 371.573 1.697 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000883358623 982094316 /nfs/dbraw/zinc/09/43/16/982094316.db2.gz OOLUQFSJENGFNE-SFHVURJKSA-N 2 0 359.518 1.579 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000876506851 992672489 /nfs/dbraw/zinc/67/24/89/992672489.db2.gz PHUQQQKPTDEIRZ-FQEVSTJZSA-N 2 0 352.482 1.757 20 10 FDCDRP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000889669217 998518821 /nfs/dbraw/zinc/51/88/21/998518821.db2.gz BZIAIZOCTRIXQD-QUCCMNQESA-N 2 0 371.529 1.817 20 10 FDCDRP CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670050 998520789 /nfs/dbraw/zinc/52/07/89/998520789.db2.gz XJMRAGCREASUOJ-UHFFFAOYSA-N 2 0 373.545 1.922 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000889673791 998521708 /nfs/dbraw/zinc/52/17/08/998521708.db2.gz PNMLDYXKGSUQLA-UHFFFAOYSA-N 2 0 371.529 1.676 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000178872241 525495394 /nfs/dbraw/zinc/49/53/94/525495394.db2.gz VUMZJGULFGILRS-IBGZPJMESA-N 2 0 360.502 1.466 20 10 FDCDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705039 538091116 /nfs/dbraw/zinc/09/11/16/538091116.db2.gz DHZVAZTXGZNNJS-KNQAVFIVSA-N 2 0 372.557 1.981 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)c2ccnn2CC[NH+](C)C)[NH+](C)C)cc1 ZINC000891250553 774115475 /nfs/dbraw/zinc/11/54/75/774115475.db2.gz WWRNJOLMDXCISN-LJQANCHMSA-N 2 0 372.517 1.543 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CN4CCNC4=O)CC3)cc2)CC1 ZINC000897582581 839748114 /nfs/dbraw/zinc/74/81/14/839748114.db2.gz CWHANPHLYHPDGE-UHFFFAOYSA-N 2 0 371.529 1.676 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](Cc3ccc(F)cc3)C(N)=O)cc2)CC1 ZINC000905788144 852289617 /nfs/dbraw/zinc/28/96/17/852289617.db2.gz IIBQMMSMFMYRIQ-FQEVSTJZSA-N 2 0 370.472 1.764 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(c3ccccc3)C[C@H]([NH3+])C2)cc1 ZINC000911665251 858877083 /nfs/dbraw/zinc/87/70/83/858877083.db2.gz BWCYUYMAAZBRLK-CUWPLCDZSA-N 2 0 352.482 1.928 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](NC(=O)NC4CC4)C3)cc2)CC1 ZINC000761227881 864460599 /nfs/dbraw/zinc/46/05/99/864460599.db2.gz CWQOTOIHVFRSHL-GOSISDBHSA-N 2 0 357.502 1.474 20 10 FDCDRP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700652 940879806 /nfs/dbraw/zinc/87/98/06/940879806.db2.gz LGKDDRNEGYCBHD-WIYYLYMNSA-N 2 0 358.530 1.733 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000775646842 970797243 /nfs/dbraw/zinc/79/72/43/970797243.db2.gz OYNOQTVEKPMFPX-NRFANRHFSA-N 2 0 358.530 1.735 20 10 FDCDRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817935553 943085775 /nfs/dbraw/zinc/08/57/75/943085775.db2.gz IGHAEYZAYMRNNO-INIZCTEOSA-N 2 0 350.482 1.608 20 10 FDCDRP Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1O ZINC000817946542 943090759 /nfs/dbraw/zinc/09/07/59/943090759.db2.gz YWFWYFGAWCHKQS-LLVKDONJSA-N 2 0 356.264 1.546 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]CCC(=O)N(C)OC)cc2F)CC1 ZINC000819032408 943409051 /nfs/dbraw/zinc/40/90/51/943409051.db2.gz HRIHQLZKBQKSHP-UHFFFAOYSA-N 2 0 352.454 1.467 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CC3(C[NH3+])CC3)CC2)cc1 ZINC000844191958 947829102 /nfs/dbraw/zinc/82/91/02/947829102.db2.gz VKFVREUCEJRZAO-UHFFFAOYSA-N 2 0 360.502 1.453 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])C3CCC3)CC2)cc1 ZINC000844191243 947830547 /nfs/dbraw/zinc/83/05/47/947830547.db2.gz JHNHHTMIWFADJX-IBGZPJMESA-N 2 0 360.502 1.451 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000844226256 947863979 /nfs/dbraw/zinc/86/39/79/947863979.db2.gz KTBZLQFVJFWEQU-FPOVZHCZSA-N 2 0 374.529 1.587 20 10 FDCDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001177244481 963732166 /nfs/dbraw/zinc/73/21/66/963732166.db2.gz AGSVQBBYBXPIGE-UHFFFAOYSA-N 3 0 359.562 1.556 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000852792305 967611104 /nfs/dbraw/zinc/61/11/04/967611104.db2.gz VDGKGTLXWMBDKN-SJORKVTESA-N 2 0 371.489 1.089 20 10 FDCDRP Cc1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000863583346 973034650 /nfs/dbraw/zinc/03/46/50/973034650.db2.gz UIJCPQOHAHXDDW-NRFANRHFSA-N 2 0 356.514 1.792 20 10 FDCDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000863642560 973079095 /nfs/dbraw/zinc/07/90/95/973079095.db2.gz SERBIFXJSGFVBA-ZBFHGGJFSA-N 2 0 351.834 1.803 20 10 FDCDRP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883114686 981957539 /nfs/dbraw/zinc/95/75/39/981957539.db2.gz CGTRNHNQUBEVNC-QGZVFWFLSA-N 2 0 361.534 1.968 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000883149185 981981142 /nfs/dbraw/zinc/98/11/42/981981142.db2.gz UADWGVDNTNJCQB-WOJBJXKFSA-N 2 0 371.529 1.864 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)CC1 ZINC000883289532 982047784 /nfs/dbraw/zinc/04/77/84/982047784.db2.gz RVKGTZGZMRQBOP-MOPGFXCFSA-N 2 0 365.543 1.884 20 10 FDCDRP CCN1CCO[C@H](CN2CC[NH+]([C@H](C)c3cc(OC)ccc3O)CC2)C1 ZINC000364631094 989686568 /nfs/dbraw/zinc/68/65/68/989686568.db2.gz ONOKGCYKIDEURV-AEFFLSMTSA-N 2 0 363.502 1.800 20 10 FDCDRP COc1ccc(N2CCN(C(=O)CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000172843256 524281863 /nfs/dbraw/zinc/28/18/63/524281863.db2.gz NKTSHIXYDLXANL-IEBWSBKVSA-N 2 0 374.529 1.758 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000892939608 791813349 /nfs/dbraw/zinc/81/33/49/791813349.db2.gz MQTJWSJZGXIBCY-HXUWFJFHSA-N 2 0 357.502 1.333 20 10 FDCDRP C[NH2+]CCC1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000892939829 791815382 /nfs/dbraw/zinc/81/53/82/791815382.db2.gz PNQJOJOCJALPAY-UHFFFAOYSA-N 2 0 373.545 1.970 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000892940468 791822621 /nfs/dbraw/zinc/82/26/21/791822621.db2.gz YDEDDZVFYQHOPO-SFHVURJKSA-N 2 0 359.518 1.709 20 10 FDCDRP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(O)c1OC ZINC000893013029 792466416 /nfs/dbraw/zinc/46/64/16/792466416.db2.gz QHSTVOZJXRCDQX-CQSZACIVSA-N 2 0 350.459 2.000 20 10 FDCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[N@@H+]1C ZINC000765978155 874033361 /nfs/dbraw/zinc/03/33/61/874033361.db2.gz LXHFSJPBLDTFIP-DOTOQJQBSA-N 2 0 351.516 1.494 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@]3(CO)CCCO3)cc2)CC1 ZINC000816667232 942292997 /nfs/dbraw/zinc/29/29/97/942292997.db2.gz HFKFVIFKDIXBQJ-SFTDATJTSA-N 2 0 359.514 1.848 20 10 FDCDRP C[C@@H]([NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1C[NH2+]C1 ZINC000817894665 943068276 /nfs/dbraw/zinc/06/82/76/943068276.db2.gz PIIOJIMKOGGQIH-OAHLLOKOSA-N 2 0 370.476 1.640 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H](n4ncnn4)C3)cc2)CC1 ZINC001173736040 962603480 /nfs/dbraw/zinc/60/34/80/962603480.db2.gz XOVAYFYHPOUKIO-HKUYNNGSSA-N 2 0 355.490 1.698 20 10 FDCDRP COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1O ZINC000853248427 967943671 /nfs/dbraw/zinc/94/36/71/967943671.db2.gz GDCBQESMHVSYJC-OAHLLOKOSA-N 2 0 371.485 1.913 20 10 FDCDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000853247747 967944025 /nfs/dbraw/zinc/94/40/25/967944025.db2.gz ZQFNUUYOGQPJNS-UHFFFAOYSA-N 2 0 374.529 1.603 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnc(-n4cncn4)c3)cc2)CC1 ZINC000865681624 974418491 /nfs/dbraw/zinc/41/84/91/974418491.db2.gz SRCPYUAFJYCIPX-UHFFFAOYSA-N 2 0 363.469 1.704 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2F)CC1 ZINC000848414981 976723210 /nfs/dbraw/zinc/72/32/10/976723210.db2.gz GSLSHJFCHFAYAY-DYESRHJHSA-N 2 0 374.504 1.974 20 10 FDCDRP CN(C)C(=O)N1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000883283628 982044111 /nfs/dbraw/zinc/04/41/11/982044111.db2.gz MGVYEDOCPLVLRY-UHFFFAOYSA-N 2 0 359.518 1.674 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])CC3CC3)CC2)cc1 ZINC000884233186 983007234 /nfs/dbraw/zinc/00/72/34/983007234.db2.gz LEMMHRSZWZTHPK-IBGZPJMESA-N 2 0 360.502 1.451 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000269268136 999466552 /nfs/dbraw/zinc/46/65/52/999466552.db2.gz QKRBFXBFQHHZTM-DLBZAZTESA-N 2 0 360.502 1.451 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+][C@@H]3C)cc2F)CC1 ZINC000290075346 537665226 /nfs/dbraw/zinc/66/52/26/537665226.db2.gz WFDAJLDVGIFPJE-NVXWUHKLSA-N 2 0 362.493 1.972 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)C2C[NH+](C3CCOCC3)C2)[NH+](C)C)cc1 ZINC000891246569 774089787 /nfs/dbraw/zinc/08/97/87/774089787.db2.gz PMVVYVFIRWMHLB-FQEVSTJZSA-N 2 0 374.529 1.582 20 10 FDCDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)cc2)CC1 ZINC000925776394 807119941 /nfs/dbraw/zinc/11/99/41/807119941.db2.gz FWDPFKDTPQBUKX-PMACEKPBSA-N 2 0 372.513 1.245 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000923400661 889137063 /nfs/dbraw/zinc/13/70/63/889137063.db2.gz XLQUZSVFAFPVBF-QUCCMNQESA-N 2 0 374.529 1.052 20 10 FDCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)NCc1ccco1 ZINC000771836517 930910141 /nfs/dbraw/zinc/91/01/41/930910141.db2.gz ZHVZOIPJZSPSOS-INIZCTEOSA-N 2 0 356.470 1.826 20 10 FDCDRP Cn1cnnc1C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775654989 970920522 /nfs/dbraw/zinc/92/05/22/970920522.db2.gz SQSIKMKYCMFSMH-UHFFFAOYSA-N 2 0 354.502 1.947 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)cc2F)CC1 ZINC000844190816 947826716 /nfs/dbraw/zinc/82/67/16/947826716.db2.gz RCGQBPIJBPKSLA-MAUKXSAKSA-N 2 0 362.493 1.972 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CCC(C)(C)[NH3+])CC2)cc1 ZINC000844191326 947830134 /nfs/dbraw/zinc/83/01/34/947830134.db2.gz LUBIOYGRZUOWDF-UHFFFAOYSA-N 2 0 362.518 1.841 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000844191339 947830530 /nfs/dbraw/zinc/83/05/30/947830530.db2.gz MIPHOJXWMYUEDM-GOSISDBHSA-N 2 0 360.502 1.322 20 10 FDCDRP CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700929 971563252 /nfs/dbraw/zinc/56/32/52/971563252.db2.gz SLNSWLXKOVDENV-MRXNPFEDSA-N 2 0 353.532 1.693 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])CC2)cc1 ZINC000846225896 950738251 /nfs/dbraw/zinc/73/82/51/950738251.db2.gz HAVNQIUIACKFRH-YLJYHZDGSA-N 2 0 374.529 1.793 20 10 FDCDRP Cc1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000863583347 973034183 /nfs/dbraw/zinc/03/41/83/973034183.db2.gz UIJCPQOHAHXDDW-OAQYLSRUSA-N 2 0 356.514 1.792 20 10 FDCDRP CCOc1ccc(O)c(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863642461 973078448 /nfs/dbraw/zinc/07/84/48/973078448.db2.gz OZLQADVWTCBTNM-AEFFLSMTSA-N 2 0 361.442 1.548 20 10 FDCDRP CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001198901171 973632863 /nfs/dbraw/zinc/63/28/63/973632863.db2.gz PZINEZKGNHGDIJ-NRFANRHFSA-N 2 0 360.546 1.885 20 10 FDCDRP CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001199275819 974154600 /nfs/dbraw/zinc/15/46/00/974154600.db2.gz NZLJGCRDGTUKDK-UHFFFAOYSA-N 2 0 368.547 1.200 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNc3cc(-n4cccn4)nc(N)[nH+]3)cc2)CC1 ZINC000882880277 981770740 /nfs/dbraw/zinc/77/07/40/981770740.db2.gz KZQVZJDHTAWTPF-UHFFFAOYSA-N 2 0 364.457 1.608 20 10 FDCDRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883212511 982016460 /nfs/dbraw/zinc/01/64/60/982016460.db2.gz JUGIKKWMZBWLCP-KRWDZBQOSA-N 2 0 361.534 1.968 20 10 FDCDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877086428 993040977 /nfs/dbraw/zinc/04/09/77/993040977.db2.gz YFDUPRTYANXIMF-UHFFFAOYSA-N 2 0 361.530 1.973 20 10 FDCDRP C[NH+](C)CC1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889673437 998521545 /nfs/dbraw/zinc/52/15/45/998521545.db2.gz FPXYFRUMLQYWMV-UHFFFAOYSA-N 2 0 373.545 1.922 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000269268146 999466512 /nfs/dbraw/zinc/46/65/12/999466512.db2.gz QKRBFXBFQHHZTM-SJORKVTESA-N 2 0 360.502 1.451 20 10 FDCDRP COc1ccc(N2CCN(C(=O)CN(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000172843264 524282271 /nfs/dbraw/zinc/28/22/71/524282271.db2.gz NKTSHIXYDLXANL-PKOBYXMFSA-N 2 0 374.529 1.758 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)C[NH+](C)C)cc2F)CC1 ZINC000287906581 537448148 /nfs/dbraw/zinc/44/81/48/537448148.db2.gz ZHHNOKVDTYQRKO-HNNXBMFYSA-N 2 0 365.497 1.717 20 10 FDCDRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248406 774097123 /nfs/dbraw/zinc/09/71/23/774097123.db2.gz LJEHPNQMHLJGJO-QFBILLFUSA-N 2 0 362.518 1.440 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000892274619 783215493 /nfs/dbraw/zinc/21/54/93/783215493.db2.gz QFCPTFNJPJUYNB-GOSISDBHSA-N 2 0 357.502 1.522 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000892157286 781876379 /nfs/dbraw/zinc/87/63/79/781876379.db2.gz WYCPCRHHPFOAPV-INIZCTEOSA-N 2 0 367.444 1.235 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCN(c4cc(=O)[nH]cn4)C3)cc2)CC1 ZINC000898154463 840833068 /nfs/dbraw/zinc/83/30/68/840833068.db2.gz DHWRUHDJXBUPKC-QGZVFWFLSA-N 2 0 368.485 1.303 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=S)NCCC[NH+](C)C)[NH+](C)C)cc1 ZINC000899724019 846625562 /nfs/dbraw/zinc/62/55/62/846625562.db2.gz IVBCKRNYXMNMDW-KRWDZBQOSA-N 2 0 351.564 1.771 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CC3(O)CCCCC3)cc2)CC1 ZINC000905428747 851934656 /nfs/dbraw/zinc/93/46/56/851934656.db2.gz VPCCTMZHMUJFOJ-HXUWFJFHSA-N 2 0 361.530 1.974 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000923501312 889520038 /nfs/dbraw/zinc/52/00/38/889520038.db2.gz QFYKOTGPLFNAEX-SJORKVTESA-N 2 0 360.502 1.261 20 10 FDCDRP COc1cccc(O)c1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000736642374 924863109 /nfs/dbraw/zinc/86/31/09/924863109.db2.gz UYFHHWJYGMOCCR-UHFFFAOYSA-N 2 0 357.454 1.982 20 10 FDCDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809742908 940894246 /nfs/dbraw/zinc/89/42/46/940894246.db2.gz MIELMOPQXNXNFZ-UHFFFAOYSA-N 2 0 364.509 1.732 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](CCC[NH3+])COC)cc2F)CC1 ZINC000817901268 943071262 /nfs/dbraw/zinc/07/12/62/943071262.db2.gz AITWJQHQNXOZDJ-KRWDZBQOSA-N 3 0 352.498 1.811 20 10 FDCDRP Oc1cc(O)c(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(O)c1 ZINC001144509830 949788645 /nfs/dbraw/zinc/78/86/45/949788645.db2.gz LLOCPBDIQHRJJB-UHFFFAOYSA-N 2 0 358.442 1.654 20 10 FDCDRP COc1cccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1O ZINC000846168813 950595770 /nfs/dbraw/zinc/59/57/70/950595770.db2.gz MAMKUGHZMVBICB-INIZCTEOSA-N 2 0 363.502 1.848 20 10 FDCDRP CCOc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(O)c1 ZINC000863641751 973077108 /nfs/dbraw/zinc/07/71/08/973077108.db2.gz ASWVFWCHUYHFCN-AEFFLSMTSA-N 2 0 361.442 1.548 20 10 FDCDRP C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000883456662 982163016 /nfs/dbraw/zinc/16/30/16/982163016.db2.gz FGQXUVLKZVFUSI-FUHWJXTLSA-N 2 0 359.518 1.720 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)cc2)CC1 ZINC000883574966 982276876 /nfs/dbraw/zinc/27/68/76/982276876.db2.gz ULYNGUBUMPMEAP-CQSZACIVSA-N 2 0 359.396 1.127 20 10 FDCDRP COc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873043923 988469875 /nfs/dbraw/zinc/46/98/75/988469875.db2.gz WRNGKPCWPWPNHF-SFHVURJKSA-N 2 0 371.529 1.913 20 10 FDCDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CC[NH+](C)CC1 ZINC000127815250 994979020 /nfs/dbraw/zinc/97/90/20/994979020.db2.gz ZVAJMHXGUXFECI-IRXDYDNUSA-N 2 0 364.509 1.949 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000892188764 782077189 /nfs/dbraw/zinc/07/71/89/782077189.db2.gz SVYOATOVVLVMHT-GBESFXJTSA-N 2 0 371.529 1.626 20 10 FDCDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000155125762 525753682 /nfs/dbraw/zinc/75/36/82/525753682.db2.gz NUJLZYVMGKOKDB-IRXDYDNUSA-N 2 0 364.509 1.949 20 10 FDCDRP CCC[C@](C)([NH3+])C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000269313258 537019308 /nfs/dbraw/zinc/01/93/08/537019308.db2.gz XUEYNGMFXJQDRG-FQEVSTJZSA-N 2 0 362.518 1.841 20 10 FDCDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc2O1 ZINC000592961260 552049226 /nfs/dbraw/zinc/04/92/26/552049226.db2.gz JTPLXOQVFJAYTI-LSDHHAIUSA-N 2 0 369.469 1.689 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2F)CC1 ZINC000891529160 778223858 /nfs/dbraw/zinc/22/38/58/778223858.db2.gz UXAAXOFGCATXAH-GOEBONIOSA-N 2 0 363.481 1.599 20 10 FDCDRP COc1ccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c(O)c1OC ZINC000892553317 787238531 /nfs/dbraw/zinc/23/85/31/787238531.db2.gz KVFIXGIQLBKWES-GOSISDBHSA-N 2 0 372.465 1.918 20 10 FDCDRP C[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000892939400 791805073 /nfs/dbraw/zinc/80/50/73/791805073.db2.gz JOISRSPHPHXRGQ-AEFFLSMTSA-N 2 0 359.518 1.565 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)cc2)CC1 ZINC000896445080 824418171 /nfs/dbraw/zinc/41/81/71/824418171.db2.gz REAXFTRNJLLMIW-VQTJNVASSA-N 2 0 371.529 1.817 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](Cc3ccccc3)C(N)=O)cc2)CC1 ZINC000905790050 852261467 /nfs/dbraw/zinc/26/14/67/852261467.db2.gz UZCFILSAOOZJHK-FQEVSTJZSA-N 2 0 352.482 1.625 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnc(C3CC[NH2+]CC3)o2)cc1 ZINC000911667263 858879960 /nfs/dbraw/zinc/87/99/60/858879960.db2.gz PGAXSBPVWCWJKH-MRXNPFEDSA-N 2 0 357.458 1.637 20 10 FDCDRP Cn1nc2c(c1C[NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)COCC2 ZINC000922332504 877677716 /nfs/dbraw/zinc/67/77/16/877677716.db2.gz HKECLNCMXTVUNZ-UHFFFAOYSA-N 2 0 355.486 1.534 20 10 FDCDRP Cc1nnc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[nH]1 ZINC000922407012 878108967 /nfs/dbraw/zinc/10/89/67/878108967.db2.gz JTEVDHWZQAFWDM-HKUYNNGSSA-N 2 0 370.501 1.732 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923364751 889008817 /nfs/dbraw/zinc/00/88/17/889008817.db2.gz QTLHLNBHCVIYKQ-WSTZPKSXSA-N 2 0 374.529 1.004 20 10 FDCDRP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000921748489 897557724 /nfs/dbraw/zinc/55/77/24/897557724.db2.gz IVUUVMDMCNEGPA-HXUWFJFHSA-N 2 0 371.529 1.722 20 10 FDCDRP COc1cc(O)c(CN2CCCC[C@@](O)(C[NH3+])C2)cc1Br ZINC001205690960 970806788 /nfs/dbraw/zinc/80/67/88/970806788.db2.gz ZJPLHAYAKPQDMI-OAHLLOKOSA-N 2 0 359.264 1.839 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC000844192396 947831135 /nfs/dbraw/zinc/83/11/35/947831135.db2.gz OYUQPQCAYRPWRG-INIZCTEOSA-N 2 0 370.444 1.306 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[NH+]3CCC([C@H](C)[NH3+])CC3)CC2)cc1 ZINC000844219975 947848783 /nfs/dbraw/zinc/84/87/83/947848783.db2.gz PKCCQGDQINXJRC-INIZCTEOSA-N 2 0 360.502 1.403 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C=C3CC[NH2+]CC3)CC2)cc1 ZINC000852872636 967678620 /nfs/dbraw/zinc/67/86/20/967678620.db2.gz JJNCYRQLVNWERB-UHFFFAOYSA-N 2 0 372.513 1.633 20 10 FDCDRP COc1cccc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1O ZINC000853248425 967944151 /nfs/dbraw/zinc/94/41/51/967944151.db2.gz GDCBQESMHVSYJC-HNNXBMFYSA-N 2 0 371.485 1.913 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000863576194 973028181 /nfs/dbraw/zinc/02/81/81/973028181.db2.gz UQUADFPMBXGXRF-HXUWFJFHSA-N 2 0 374.529 1.459 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000876506166 992672160 /nfs/dbraw/zinc/67/21/60/992672160.db2.gz GJRZBBGKHHXXBS-VQTJNVASSA-N 2 0 369.513 1.328 20 10 FDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000377164942 791157250 /nfs/dbraw/zinc/15/72/50/791157250.db2.gz KNOOFQPCEFTAKF-OXJNMPFZSA-N 2 0 360.477 1.631 20 10 FDCDRP COc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(O)c1OC ZINC000894458763 818076377 /nfs/dbraw/zinc/07/63/77/818076377.db2.gz ZLEIITYWWHOBGF-UHFFFAOYSA-N 2 0 363.502 1.869 20 10 FDCDRP Cn1cc([C@@]2(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)CCCO2)cn1 ZINC000898056430 840727502 /nfs/dbraw/zinc/72/75/02/840727502.db2.gz HGXZQCMUIOBPCR-NRFANRHFSA-N 2 0 369.513 1.967 20 10 FDCDRP CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)[NH+](C)C)cc1 ZINC000899095360 845756638 /nfs/dbraw/zinc/75/66/38/845756638.db2.gz IFXQIOGNAKMAPW-YTQUADARSA-N 2 0 359.518 1.701 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=S)NC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000899724709 846625780 /nfs/dbraw/zinc/62/57/80/846625780.db2.gz OVSBXFDXCYUTKW-GOSISDBHSA-N 2 0 363.575 1.914 20 10 FDCDRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911665211 858877201 /nfs/dbraw/zinc/87/72/01/858877201.db2.gz BCCYYAOYCUEGKB-WIYYLYMNSA-N 2 0 368.481 1.678 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)cc1 ZINC000911666163 858878761 /nfs/dbraw/zinc/87/87/61/858878761.db2.gz HQAVOPYDHDCNFN-OQIJWPOYSA-N 2 0 360.502 1.416 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000911666171 858879047 /nfs/dbraw/zinc/87/90/47/858879047.db2.gz HQAVOPYDHDCNFN-OWYHZJEWSA-N 2 0 360.502 1.416 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)cc1 ZINC000911666157 858879076 /nfs/dbraw/zinc/87/90/76/858879076.db2.gz HQAVOPYDHDCNFN-NXWXRZEISA-N 2 0 360.502 1.416 20 10 FDCDRP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000923501310 889519468 /nfs/dbraw/zinc/51/94/68/889519468.db2.gz QFYKOTGPLFNAEX-IAGOWNOFSA-N 2 0 360.502 1.261 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000775676134 971357870 /nfs/dbraw/zinc/35/78/70/971357870.db2.gz MGDROGNFBDOZKA-NHCUHLMSSA-N 2 0 358.530 1.469 20 10 FDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000775676136 971358091 /nfs/dbraw/zinc/35/80/91/971358091.db2.gz MGDROGNFBDOZKA-RTWAWAEBSA-N 2 0 358.530 1.469 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C[NH3+])o3)CC2)cc1 ZINC000844191346 947830472 /nfs/dbraw/zinc/83/04/72/947830472.db2.gz MMOCNUBTASUUPN-UHFFFAOYSA-N 2 0 372.469 1.689 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(Cn4cnnc4)CC3)cc2)CC1 ZINC000846056103 950363094 /nfs/dbraw/zinc/36/30/94/950363094.db2.gz KMCUMSNHUQWWKM-UHFFFAOYSA-N 2 0 354.502 1.942 20 10 FDCDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000854230140 968701227 /nfs/dbraw/zinc/70/12/27/968701227.db2.gz HNDGHTUDEUDWNV-NJDAHSKKSA-N 2 0 359.514 1.894 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(S(N)(=O)=O)cc3)cc2)CC1 ZINC000883282806 982043306 /nfs/dbraw/zinc/04/33/06/982043306.db2.gz GGOZUSUTTLKGFR-UHFFFAOYSA-N 2 0 374.510 1.376 20 10 FDCDRP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872255348 987547453 /nfs/dbraw/zinc/54/74/53/987547453.db2.gz CIEYCXDIYWLEDO-XCCUNJHGSA-N 2 0 356.470 1.633 20 10 FDCDRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507078 992672248 /nfs/dbraw/zinc/67/22/48/992672248.db2.gz VFMLPBAELIULMB-ZWKOTPCHSA-N 2 0 370.501 1.612 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)cc2F)CC1 ZINC000876783741 992911876 /nfs/dbraw/zinc/91/18/76/992911876.db2.gz LQALUBYSCVZWEG-BBRMVZONSA-N 2 0 370.419 1.424 20 10 FDCDRP O=C1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCCN1 ZINC000877120555 993059148 /nfs/dbraw/zinc/05/91/48/993059148.db2.gz HUGGESMWNAUILO-LJQANCHMSA-N 2 0 356.514 1.977 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC000270341849 999542809 /nfs/dbraw/zinc/54/28/09/999542809.db2.gz OYBLJHDISBAOGT-MRXNPFEDSA-N 2 0 362.493 1.974 20 10 FDCDRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000269075027 537018974 /nfs/dbraw/zinc/01/89/74/537018974.db2.gz YETNIGDIPFRDCD-HNNXBMFYSA-N 2 0 351.466 1.770 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)C2C[NH+](C3CCOCC3)C2)[NH+](C)C)cc1 ZINC000891246572 774089382 /nfs/dbraw/zinc/08/93/82/774089382.db2.gz PMVVYVFIRWMHLB-HXUWFJFHSA-N 2 0 374.529 1.582 20 10 FDCDRP COc1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(O)c1OC ZINC000892535019 786926279 /nfs/dbraw/zinc/92/62/79/786926279.db2.gz CTJCOKOKHBWJPA-MRXNPFEDSA-N 2 0 351.491 1.771 20 10 FDCDRP CN(C)c1ccc([C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)[NH+](C)C)cc1 ZINC000899104175 845777432 /nfs/dbraw/zinc/77/74/32/845777432.db2.gz QHZVWPLADLCGET-LJQANCHMSA-N 2 0 359.518 1.916 20 10 FDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3c2OCC[NH2+]C3)cc1 ZINC000911667971 858880923 /nfs/dbraw/zinc/88/09/23/858880923.db2.gz VQYBMICQNZYTSO-GOSISDBHSA-N 2 0 354.454 1.664 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc2)CC1 ZINC000922739233 879117111 /nfs/dbraw/zinc/11/71/11/879117111.db2.gz FYMAWLPUYTWZII-UHFFFAOYSA-N 2 0 353.532 1.599 20 10 FDCDRP COc1ccc(Br)c(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205240848 909568167 /nfs/dbraw/zinc/56/81/67/909568167.db2.gz OQCLZYNKEWRQAC-OAHLLOKOSA-N 2 0 359.264 1.839 20 10 FDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)COC(C)C)cc2F)CC1 ZINC000819032087 943409067 /nfs/dbraw/zinc/40/90/67/943409067.db2.gz DKTHBCWPHUYBCI-QGZVFWFLSA-N 2 0 353.482 1.843 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)c3coc(C[NH3+])c3)CC2)cc1 ZINC000844191953 947829414 /nfs/dbraw/zinc/82/94/14/947829414.db2.gz VEBKRSWPJHXDAH-UHFFFAOYSA-N 2 0 372.469 1.689 20 10 FDCDRP CC[NH2+]CC1CC[NH+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000844220653 947851016 /nfs/dbraw/zinc/85/10/16/947851016.db2.gz IVTGTKCNZQTQIO-UHFFFAOYSA-N 2 0 374.529 1.665 20 10 FDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000844225499 947861568 /nfs/dbraw/zinc/86/15/68/947861568.db2.gz BSWADNAKXDGMEL-UYAOXDASSA-N 2 0 374.529 1.587 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3[NH2+]CCC3(C)C)CC2)cc1 ZINC000852873485 967679984 /nfs/dbraw/zinc/67/99/84/967679984.db2.gz WHFCEWWWXGPJTI-LJQANCHMSA-N 2 0 374.529 1.712 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc2)CC1 ZINC000850348875 978329090 /nfs/dbraw/zinc/32/90/90/978329090.db2.gz WXDIBPRVQSDMST-XMMPIXPASA-N 2 0 363.449 1.839 20 10 FDCDRP C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000850448276 978376318 /nfs/dbraw/zinc/37/63/18/978376318.db2.gz OUCLKWHQCJNXPC-KRWDZBQOSA-N 2 0 354.502 1.988 20 10 FDCDRP C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000850448277 978376670 /nfs/dbraw/zinc/37/66/70/978376670.db2.gz OUCLKWHQCJNXPC-QGZVFWFLSA-N 2 0 354.502 1.988 20 10 FDCDRP COc1cc(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1OC ZINC000371357861 990379209 /nfs/dbraw/zinc/37/92/09/990379209.db2.gz RULXNBOKGSMFAF-NVXWUHKLSA-N 2 0 363.502 1.867 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(CC)CC[NH2+]C3)cc2F)CC1 ZINC000372192340 990953025 /nfs/dbraw/zinc/95/30/25/990953025.db2.gz NLRMSHUMALRPCY-HXUWFJFHSA-N 2 0 362.493 1.974 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](F)[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC000876783624 992911267 /nfs/dbraw/zinc/91/12/67/992911267.db2.gz IGUHAAPFLYILLM-CRAIPNDOSA-N 2 0 366.456 1.531 20 10 FDCDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877146234 993069843 /nfs/dbraw/zinc/06/98/43/993069843.db2.gz UXFISFIEMQYFQK-UHFFFAOYSA-N 2 0 360.546 1.765 20 10 FDCDRP CCOC(=O)[C@@]1(C)CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000877703963 993456479 /nfs/dbraw/zinc/45/64/79/993456479.db2.gz GWAJQIULYJFLQD-HXUWFJFHSA-N 2 0 361.486 1.592 20 10 FDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCSC)cc2F)CC1 ZINC000178882674 525497746 /nfs/dbraw/zinc/49/77/46/525497746.db2.gz MFIGEXCWCJSABT-MRXNPFEDSA-N 2 0 368.522 1.664 20 10 FDCDRP CC[C@]1(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC[NH2+]C1 ZINC000119748542 525846789 /nfs/dbraw/zinc/84/67/89/525846789.db2.gz GZLMIMCVCCQTGK-NRFANRHFSA-N 2 0 374.529 1.713 20 10 FDCDRP COc1c([O-])c(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278849693 537341532 /nfs/dbraw/zinc/34/15/32/537341532.db2.gz KWUSOMQCGPXAHE-INIZCTEOSA-N 2 0 366.462 1.671 20 10 FDCDRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000236892537 537603031 /nfs/dbraw/zinc/60/30/31/537603031.db2.gz HQBMAMQYIIPDDC-KSSFIOAISA-N 2 0 350.482 1.957 20 10 FDCDRP C[NH+](C)C[C@H]1CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc2O1 ZINC000592961255 552049352 /nfs/dbraw/zinc/04/93/52/552049352.db2.gz JTPLXOQVFJAYTI-CABCVRRESA-N 2 0 369.469 1.689 20 10 FDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000892938874 791800521 /nfs/dbraw/zinc/80/05/21/791800521.db2.gz GFHUKXPKSYCRGC-HKUYNNGSSA-N 2 0 357.502 1.332 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)COCc3ccco3)cc2)CC1 ZINC000905426277 851932516 /nfs/dbraw/zinc/93/25/16/851932516.db2.gz HCKNKYJSWQEYJX-LJQANCHMSA-N 2 0 359.470 1.699 20 10 FDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc3c2OCC[NH2+]C3)cc1 ZINC000911667972 858881070 /nfs/dbraw/zinc/88/10/70/858881070.db2.gz VQYBMICQNZYTSO-SFHVURJKSA-N 2 0 354.454 1.664 20 10 FDCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@](C)(C[NH3+])C(C)C)CC2)cc1 ZINC000923300378 888786804 /nfs/dbraw/zinc/78/68/04/888786804.db2.gz QSCXMBWBNYBLIK-AZUAARDMSA-N 2 0 364.534 1.141 20 10 FDCDRP O=C(C[NH+]1CCCC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000821487541 944531389 /nfs/dbraw/zinc/53/13/89/944531389.db2.gz RFRCRGCSOAZCOT-UHFFFAOYSA-N 2 0 356.514 1.931 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000844192120 947829755 /nfs/dbraw/zinc/82/97/55/947829755.db2.gz HOLMPDXOIZTQNK-LJQANCHMSA-N 2 0 360.502 1.451 20 10 FDCDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000775712806 971660355 /nfs/dbraw/zinc/66/03/55/971660355.db2.gz IUKIYDUSMADCAQ-KRWDZBQOSA-N 2 0 351.516 1.305 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](n3cncn3)C(F)(F)F)cc2)CC1 ZINC000865682485 974419569 /nfs/dbraw/zinc/41/95/69/974419569.db2.gz NCTFFZYVPFBBBJ-MRXNPFEDSA-N 2 0 368.407 1.923 20 10 FDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](n3cncn3)C(F)(F)F)cc2)CC1 ZINC000865682484 974419735 /nfs/dbraw/zinc/41/97/35/974419735.db2.gz NCTFFZYVPFBBBJ-INIZCTEOSA-N 2 0 368.407 1.923 20 10 FDCDRP COc1ccc(N2CC[NH+](CCCN[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc1 ZINC000925517153 995637249 /nfs/dbraw/zinc/63/72/49/995637249.db2.gz FTODYMSJYMKHHJ-BVKOHWRASA-N 2 0 370.541 1.793 20 10 FDCDRP C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705041 538091224 /nfs/dbraw/zinc/09/12/24/538091224.db2.gz DHZVAZTXGZNNJS-UGKGYDQZSA-N 2 0 372.557 1.981 20 10 FDCDRP