smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158241301 850028492 /nfs/dbraw/zinc/02/84/92/850028492.db2.gz UDLVSROQIHWRTI-XJKCOSOUSA-N 2 3 360.424 0.861 20 0 FCADHP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001221244269 856528099 /nfs/dbraw/zinc/52/80/99/856528099.db2.gz UPNSLPKLOGDKHD-MPGHIAIKSA-N 2 3 353.511 0.034 20 0 FCADHP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001221244269 856528102 /nfs/dbraw/zinc/52/81/02/856528102.db2.gz UPNSLPKLOGDKHD-MPGHIAIKSA-N 2 3 353.511 0.034 20 0 FCADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348666 492913829 /nfs/dbraw/zinc/91/38/29/492913829.db2.gz MLLMFUFCMXTQDT-JZXOWHBKSA-N 2 3 352.523 0.805 20 0 FCADHP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)cc1 ZINC001220743986 1225048833 /nfs/dbraw/zinc/04/88/33/1225048833.db2.gz XFXNMEVHUBLRSP-IBGZPJMESA-N 2 3 372.513 0.627 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160906 1223090063 /nfs/dbraw/zinc/09/00/63/1223090063.db2.gz LOGXLMXSSBVEMJ-BXWFABGCSA-N 2 3 365.522 0.178 20 0 FCADHP O=C(N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158547070 1223102272 /nfs/dbraw/zinc/10/22/72/1223102272.db2.gz LIWIJNFKJZWCEV-RMVXJAJNSA-N 2 3 354.498 0.791 20 0 FCADHP N[C@H](CCC[NH3+])C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236319 1223121735 /nfs/dbraw/zinc/12/17/35/1223121735.db2.gz OHQBZPLBCWBLNV-OAHLLOKOSA-N 2 3 357.462 0.023 20 0 FCADHP CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@@H]2C ZINC001159633136 1223132025 /nfs/dbraw/zinc/13/20/25/1223132025.db2.gz GMRVPYHXTUKAPT-PBHICJAKSA-N 2 3 362.522 0.953 20 0 FCADHP [NH3+]C[C@H]1CN(C(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)CCO1 ZINC001160644109 1223167572 /nfs/dbraw/zinc/16/75/72/1223167572.db2.gz SKVGXTCXHHXDTC-SVFBPWRDSA-N 2 3 372.513 0.674 20 0 FCADHP CN1CC[C@H](N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001255424653 1259911237 /nfs/dbraw/zinc/91/12/37/1259911237.db2.gz ZKRVZRFIJXOUTL-UXJCHEOYSA-N 2 3 372.554 0.460 20 0 FCADHP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157844091 849999646 /nfs/dbraw/zinc/99/96/46/849999646.db2.gz UZAKLAGQXWXVGF-FZKCQIBNSA-N 2 3 353.511 0.020 20 0 FCADHP O=C([C@H]1CCCN(C2CC[NH2+]CC2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001453 850220130 /nfs/dbraw/zinc/22/01/30/850220130.db2.gz YOJASVMUNHRIJH-RDJZCZTQSA-N 2 3 350.507 0.166 20 0 FCADHP O=C([C@H]1CCC[N@@H+](C2CCNCC2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001453 850220137 /nfs/dbraw/zinc/22/01/37/850220137.db2.gz YOJASVMUNHRIJH-RDJZCZTQSA-N 2 3 350.507 0.166 20 0 FCADHP O=C([C@H]1CCC[N@H+](C2CCNCC2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001453 850220142 /nfs/dbraw/zinc/22/01/42/850220142.db2.gz YOJASVMUNHRIJH-RDJZCZTQSA-N 2 3 350.507 0.166 20 0 FCADHP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219850672 855845510 /nfs/dbraw/zinc/84/55/10/855845510.db2.gz ZLPODQNWWSINBX-MXSMSXNCSA-N 2 3 350.507 0.191 20 0 FCADHP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219850672 855845512 /nfs/dbraw/zinc/84/55/12/855845512.db2.gz ZLPODQNWWSINBX-MXSMSXNCSA-N 2 3 350.507 0.191 20 0 FCADHP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219850672 855845515 /nfs/dbraw/zinc/84/55/15/855845515.db2.gz ZLPODQNWWSINBX-MXSMSXNCSA-N 2 3 350.507 0.191 20 0 FCADHP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220251953 856029814 /nfs/dbraw/zinc/02/98/14/856029814.db2.gz KLNCSIYXMVUZQY-JYJNAYRXSA-N 2 3 353.511 0.034 20 0 FCADHP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220251953 856029819 /nfs/dbraw/zinc/02/98/19/856029819.db2.gz KLNCSIYXMVUZQY-JYJNAYRXSA-N 2 3 353.511 0.034 20 0 FCADHP [NH3+]C1CCN(C2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)CC1 ZINC001246963144 857607688 /nfs/dbraw/zinc/60/76/88/857607688.db2.gz GFPAOQIODAGRRQ-SJORKVTESA-N 2 3 367.563 0.137 20 0 FCADHP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220751786 1225053958 /nfs/dbraw/zinc/05/39/58/1225053958.db2.gz XPSRELBSXMBKSN-WMCAYINRSA-N 2 3 374.488 0.899 20 0 FCADHP Cc1cccc(N(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159338476 1223124667 /nfs/dbraw/zinc/12/46/67/1223124667.db2.gz FHYSCOBBWMGCGO-LVCYWYKZSA-N 2 3 370.497 0.658 20 0 FCADHP CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@@H]2C ZINC001159633137 1223131749 /nfs/dbraw/zinc/13/17/49/1223131749.db2.gz GMRVPYHXTUKAPT-RHSMWYFYSA-N 2 3 362.522 0.953 20 0 FCADHP Cc1ccc(N(C(=O)[C@H](N)CCC[NH3+])[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054074 1223143543 /nfs/dbraw/zinc/14/35/43/1223143543.db2.gz WVMYCACVYOPSIL-RKVPGOIHSA-N 2 3 362.478 0.095 20 0 FCADHP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(CC(C)(C)C[NH+](C)C)CC2 ZINC001207280817 1223432327 /nfs/dbraw/zinc/43/23/27/1223432327.db2.gz WVMPKQCKYNCLLH-UHFFFAOYSA-N 2 3 367.582 0.744 20 0 FCADHP CN(C)C(=O)C1CC[NH+](C2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246746592 1259677874 /nfs/dbraw/zinc/67/78/74/1259677874.db2.gz KWTIKCCEDOHEDU-SFHVURJKSA-N 2 3 363.550 0.345 20 0 FCADHP CN1CCC[C@H](C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)C1 ZINC001275880151 861246995 /nfs/dbraw/zinc/24/69/95/861246995.db2.gz RYMGHFILRMLHPF-PKOBYXMFSA-N 2 3 352.523 0.441 20 0 FCADHP CN1CCC[C@H](C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)C1 ZINC001275880151 861247007 /nfs/dbraw/zinc/24/70/07/861247007.db2.gz RYMGHFILRMLHPF-PKOBYXMFSA-N 2 3 352.523 0.441 20 0 FCADHP O=C([C@H]1CCCN(C2CC[NH2+]CC2)C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071315 850015782 /nfs/dbraw/zinc/01/57/82/850015782.db2.gz ZWWFCPSQCAAHBE-INIZCTEOSA-N 2 3 350.507 0.431 20 0 FCADHP O=C([C@H]1CCC[N@@H+](C2CCNCC2)C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071315 850015786 /nfs/dbraw/zinc/01/57/86/850015786.db2.gz ZWWFCPSQCAAHBE-INIZCTEOSA-N 2 3 350.507 0.431 20 0 FCADHP O=C([C@H]1CCC[N@H+](C2CCNCC2)C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071315 850015787 /nfs/dbraw/zinc/01/57/87/850015787.db2.gz ZWWFCPSQCAAHBE-INIZCTEOSA-N 2 3 350.507 0.431 20 0 FCADHP CC(C)(C)N(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160872 850098240 /nfs/dbraw/zinc/09/82/40/850098240.db2.gz UIDIAGCQVSFRFP-HZPDHXFCSA-N 2 3 352.523 0.852 20 0 FCADHP CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161340637 850253362 /nfs/dbraw/zinc/25/33/62/850253362.db2.gz RMDLGKBTAHXXNT-PMPSAXMXSA-N 2 3 353.511 0.034 20 0 FCADHP CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161447757 850259754 /nfs/dbraw/zinc/25/97/54/850259754.db2.gz ZBXCHEQOGKKNHJ-CABCVRRESA-N 2 3 356.511 0.448 20 0 FCADHP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220315702 856061666 /nfs/dbraw/zinc/06/16/66/856061666.db2.gz HFKNJKZMRPNDBW-TXPKVOOTSA-N 2 3 350.507 0.478 20 0 FCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418627341 489712540 /nfs/dbraw/zinc/71/25/40/489712540.db2.gz AVZIZKZUFHASBD-MJGOQNOKSA-N 2 3 369.554 0.813 20 0 FCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418627341 489712544 /nfs/dbraw/zinc/71/25/44/489712544.db2.gz AVZIZKZUFHASBD-MJGOQNOKSA-N 2 3 369.554 0.813 20 0 FCADHP C[NH+]1CCN(C[C@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740726 675966105 /nfs/dbraw/zinc/96/61/05/675966105.db2.gz KJFKOOVYJJJMHD-ROUUACIJSA-N 2 3 352.523 0.093 20 0 FCADHP CNc1nc(N2CC[C@@H](C[NH+](C)C)C2)nc(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000549176456 1182528071 /nfs/dbraw/zinc/52/80/71/1182528071.db2.gz NNCBLVZACTWCBY-GASCZTMLSA-N 2 3 362.526 0.111 20 0 FCADHP CN[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H](C)O ZINC001219725201 1224578127 /nfs/dbraw/zinc/57/81/27/1224578127.db2.gz BMQNSRHBOBXSCV-QRQLOZEOSA-N 2 3 374.529 0.573 20 0 FCADHP CN[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H](C)O ZINC001219725201 1224578135 /nfs/dbraw/zinc/57/81/35/1224578135.db2.gz BMQNSRHBOBXSCV-QRQLOZEOSA-N 2 3 374.529 0.573 20 0 FCADHP CN[C@@H](CO)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219727232 1224579330 /nfs/dbraw/zinc/57/93/30/1224579330.db2.gz ZMQHDFRNCHZOTP-ROUUACIJSA-N 2 3 360.502 0.185 20 0 FCADHP CN[C@@H](CO)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219727232 1224579334 /nfs/dbraw/zinc/57/93/34/1224579334.db2.gz ZMQHDFRNCHZOTP-ROUUACIJSA-N 2 3 360.502 0.185 20 0 FCADHP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219741277 1224587810 /nfs/dbraw/zinc/58/78/10/1224587810.db2.gz FZDKRJUTZANBKK-SJLPKXTDSA-N 2 3 364.534 0.868 20 0 FCADHP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219741277 1224587815 /nfs/dbraw/zinc/58/78/15/1224587815.db2.gz FZDKRJUTZANBKK-SJLPKXTDSA-N 2 3 364.534 0.868 20 0 FCADHP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219741277 1224587821 /nfs/dbraw/zinc/58/78/21/1224587821.db2.gz FZDKRJUTZANBKK-SJLPKXTDSA-N 2 3 364.534 0.868 20 0 FCADHP Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1C[NH2+]CC13CNC3)CC21CC[NH2+]CC1 ZINC001219754764 1224597797 /nfs/dbraw/zinc/59/77/97/1224597797.db2.gz YKCRTJJKGJAGHD-ROUUACIJSA-N 2 3 354.498 0.986 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680467 1225008931 /nfs/dbraw/zinc/00/89/31/1225008931.db2.gz CXCBJRPHRMUQOX-BIVLZKPYSA-N 2 3 365.522 0.223 20 0 FCADHP COc1cccc(C2(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC[NH2+]CC2)c1 ZINC001221094344 1225220025 /nfs/dbraw/zinc/22/00/25/1225220025.db2.gz QSOYFKIMTJCNNH-VQIMIIECSA-N 2 3 358.486 0.589 20 0 FCADHP C[NH+](C)CC1(O)CCN(C/C=C/C[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931480224 1211757650 /nfs/dbraw/zinc/75/76/50/1211757650.db2.gz POZNMILVWGDFOK-AATRIKPKSA-N 3 3 368.566 0.320 20 0 FCADHP CC(C)N(C(=O)[C@@H](N)CCCC[NH+](C)C)c1ncnc2c1CC[NH2+]CC2 ZINC001158760012 1223107079 /nfs/dbraw/zinc/10/70/79/1223107079.db2.gz WWROAFIGEOBMLF-INIZCTEOSA-N 2 3 362.522 0.965 20 0 FCADHP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665243 1223132726 /nfs/dbraw/zinc/13/27/26/1223132726.db2.gz IGWYPTFIZJUDFS-BZSNNMDCSA-N 2 3 361.490 0.340 20 0 FCADHP CN(C)CCN(C(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161443608 1223198955 /nfs/dbraw/zinc/19/89/55/1223198955.db2.gz ZQWUTPXSUDEGKY-DLBZAZTESA-N 2 3 374.533 0.276 20 0 FCADHP CN(C)CCN(C(=O)c1cccnc1O[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161449717 1223199723 /nfs/dbraw/zinc/19/97/23/1223199723.db2.gz QJTUVTOOABKJER-JKSUJKDBSA-N 2 3 361.490 0.578 20 0 FCADHP CCOC(=O)[C@@]12CN(Cc3cnc4n3CC[NH2+]CC4)C[C@@H]1CC[NH2+]CC2 ZINC001235350772 1259570402 /nfs/dbraw/zinc/57/04/02/1259570402.db2.gz YSQMTTLJURBMIP-KXBFYZLASA-N 2 3 361.490 0.394 20 0 FCADHP Cc1cc(N(C)CC[NH+](C)C)c(-c2nnn[n-]2)c(N(C)CC[NH+](C)C)[nH+]1 ZINC001605688397 1288051636 /nfs/dbraw/zinc/05/16/36/1288051636.db2.gz PLYUCBZFSDIWEN-UHFFFAOYSA-N 2 3 361.498 0.566 20 0 FCADHP CN(C)CCN(C(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001161449573 850259398 /nfs/dbraw/zinc/25/93/98/850259398.db2.gz OLVSSKBFHAYYEO-QZTJIDSGSA-N 2 3 351.539 0.203 20 0 FCADHP CN(C)CCN(C(=O)C1CCN([C@H]2CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC001161449574 850259675 /nfs/dbraw/zinc/25/96/75/850259675.db2.gz OLVSSKBFHAYYEO-ROUUACIJSA-N 2 3 351.539 0.203 20 0 FCADHP CN(C)CCN(C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161447714 850259811 /nfs/dbraw/zinc/25/98/11/850259811.db2.gz YMGFTBDEWJXODM-LNLFQRSKSA-N 2 3 352.523 0.677 20 0 FCADHP [NH3+]C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccc(Br)cc1 ZINC001220607746 856204990 /nfs/dbraw/zinc/20/49/90/856204990.db2.gz OLGONSDWZHHTGZ-STQMWFEESA-N 2 3 353.264 0.374 20 0 FCADHP N[C@@H](C(=O)n1cc(Br)ccc1=NCC[NH3+])C1CC[NH2+]CC1 ZINC001220870872 856350458 /nfs/dbraw/zinc/35/04/58/856350458.db2.gz QHJOYVGZIYRXSV-CYBMUJFWSA-N 2 3 356.268 0.077 20 0 FCADHP C[NH+]1CCN(C[C@@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740727 675965947 /nfs/dbraw/zinc/96/59/47/675965947.db2.gz KJFKOOVYJJJMHD-ZWKOTPCHSA-N 2 3 352.523 0.093 20 0 FCADHP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000552364833 1193926778 /nfs/dbraw/zinc/92/67/78/1193926778.db2.gz FBCIOUCAHKUIMB-QGZVFWFLSA-N 2 3 369.554 0.175 20 0 FCADHP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000552364833 1193926781 /nfs/dbraw/zinc/92/67/81/1193926781.db2.gz FBCIOUCAHKUIMB-QGZVFWFLSA-N 2 3 369.554 0.175 20 0 FCADHP CN[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H](C)O ZINC001219725199 1224578482 /nfs/dbraw/zinc/57/84/82/1224578482.db2.gz BMQNSRHBOBXSCV-NEWSRXKRSA-N 2 3 374.529 0.573 20 0 FCADHP CN[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H](C)O ZINC001219725199 1224578484 /nfs/dbraw/zinc/57/84/84/1224578484.db2.gz BMQNSRHBOBXSCV-NEWSRXKRSA-N 2 3 374.529 0.573 20 0 FCADHP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219741276 1224587303 /nfs/dbraw/zinc/58/73/03/1224587303.db2.gz FZDKRJUTZANBKK-FUHWJXTLSA-N 2 3 364.534 0.868 20 0 FCADHP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219741276 1224587312 /nfs/dbraw/zinc/58/73/12/1224587312.db2.gz FZDKRJUTZANBKK-FUHWJXTLSA-N 2 3 364.534 0.868 20 0 FCADHP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219741276 1224587323 /nfs/dbraw/zinc/58/73/23/1224587323.db2.gz FZDKRJUTZANBKK-FUHWJXTLSA-N 2 3 364.534 0.868 20 0 FCADHP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219741278 1224587494 /nfs/dbraw/zinc/58/74/94/1224587494.db2.gz FZDKRJUTZANBKK-WMZOPIPTSA-N 2 3 364.534 0.868 20 0 FCADHP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219741278 1224587498 /nfs/dbraw/zinc/58/74/98/1224587498.db2.gz FZDKRJUTZANBKK-WMZOPIPTSA-N 2 3 364.534 0.868 20 0 FCADHP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219741278 1224587506 /nfs/dbraw/zinc/58/75/06/1224587506.db2.gz FZDKRJUTZANBKK-WMZOPIPTSA-N 2 3 364.534 0.868 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1C[NH3+] ZINC001220855423 1225110843 /nfs/dbraw/zinc/11/08/43/1225110843.db2.gz XSBNXUYOHHWYDK-IRXDYDNUSA-N 2 3 361.490 0.209 20 0 FCADHP c1nnn([C@H]2CCC[NH2+]C2)c1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980078 1218579041 /nfs/dbraw/zinc/57/90/41/1218579041.db2.gz GIDQJOPXAJZZLH-OKZBNKHCSA-N 2 3 359.522 0.603 20 0 FCADHP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001158467483 1223099473 /nfs/dbraw/zinc/09/94/73/1223099473.db2.gz IIWKOHFCAFJEQP-ZRGWGRIASA-N 2 3 366.506 0.224 20 0 FCADHP COc1cc(C)nc(N(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C2CC[NH2+]CC2)n1 ZINC001161308385 1223195185 /nfs/dbraw/zinc/19/51/85/1223195185.db2.gz BCNSAOFFRPWFRU-AUUYWEPGSA-N 2 3 374.489 0.078 20 0 FCADHP CCOC(=O)[C@@H]1CN(Cc2cccc(C(=O)NCC[NH3+])c2)CCC12C[NH2+]C2 ZINC001237430186 1259597589 /nfs/dbraw/zinc/59/75/89/1259597589.db2.gz JUBSCNASAJVBHB-KRWDZBQOSA-N 2 3 374.485 0.350 20 0 FCADHP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001221244270 856527332 /nfs/dbraw/zinc/52/73/32/856527332.db2.gz UPNSLPKLOGDKHD-RLFYNMQTSA-N 2 3 353.511 0.034 20 0 FCADHP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001221244270 856527340 /nfs/dbraw/zinc/52/73/40/856527340.db2.gz UPNSLPKLOGDKHD-RLFYNMQTSA-N 2 3 353.511 0.034 20 0 FCADHP COC(=O)C1C[C@@H]2CC(N[C@@H]3CCN(C4CC[NH2+]CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246369564 857576286 /nfs/dbraw/zinc/57/62/86/857576286.db2.gz GALDSOPEVVRZJZ-IZTSSTLKSA-N 2 3 350.507 0.475 20 0 FCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363389899 489461241 /nfs/dbraw/zinc/46/12/41/489461241.db2.gz OCKMZEYDEGCGNV-ROUUACIJSA-N 2 3 369.554 0.765 20 0 FCADHP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980077 1218580097 /nfs/dbraw/zinc/58/00/97/1218580097.db2.gz GIDQJOPXAJZZLH-KURKYZTESA-N 2 3 359.522 0.603 20 0 FCADHP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H](N)CCCC[NH3+])CCC2 ZINC001160372956 1223156509 /nfs/dbraw/zinc/15/65/09/1223156509.db2.gz UXSOEWTTXKTGTD-HNNXBMFYSA-N 2 3 366.510 0.150 20 0 FCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161090334 1223185557 /nfs/dbraw/zinc/18/55/57/1223185557.db2.gz LRJURGZTWCJPNB-INIZCTEOSA-N 2 3 366.469 0.524 20 0 FCADHP CN(C)CCN(C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001161444037 1223199033 /nfs/dbraw/zinc/19/90/33/1223199033.db2.gz AJBDEFRUINTYEZ-HOTGVXAUSA-N 2 3 370.538 0.968 20 0 FCADHP CN(C)CCN(C(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161443609 1223199241 /nfs/dbraw/zinc/19/92/41/1223199241.db2.gz ZQWUTPXSUDEGKY-IAGOWNOFSA-N 2 3 374.533 0.276 20 0 FCADHP CN1CCC[C@@H](C[N@@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)C1 ZINC001279501458 1260881493 /nfs/dbraw/zinc/88/14/93/1260881493.db2.gz GKSHZLKOEXGGEB-QUCCMNQESA-N 2 3 365.566 0.546 20 0 FCADHP CN1CCC[C@@H](C[N@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)C1 ZINC001279501458 1260881498 /nfs/dbraw/zinc/88/14/98/1260881498.db2.gz GKSHZLKOEXGGEB-QUCCMNQESA-N 2 3 365.566 0.546 20 0 FCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2c(CN(C)C(C)C)n[nH]c2C1 ZINC001158855583 850080676 /nfs/dbraw/zinc/08/06/76/850080676.db2.gz IEKQBUPRKCHWIB-HNNXBMFYSA-N 2 3 350.511 0.852 20 0 FCADHP O=C([C@H]1CCCN(C2CC[NH2+]CC2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001448 850220659 /nfs/dbraw/zinc/22/06/59/850220659.db2.gz YOJASVMUNHRIJH-DOTOQJQBSA-N 2 3 350.507 0.166 20 0 FCADHP O=C([C@H]1CCC[N@@H+](C2CCNCC2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001448 850220671 /nfs/dbraw/zinc/22/06/71/850220671.db2.gz YOJASVMUNHRIJH-DOTOQJQBSA-N 2 3 350.507 0.166 20 0 FCADHP O=C([C@H]1CCC[N@H+](C2CCNCC2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001448 850220682 /nfs/dbraw/zinc/22/06/82/850220682.db2.gz YOJASVMUNHRIJH-DOTOQJQBSA-N 2 3 350.507 0.166 20 0 FCADHP CN(C)CCN(C(=O)C1CCN([C@H]2CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001161449575 850260065 /nfs/dbraw/zinc/26/00/65/850260065.db2.gz OLVSSKBFHAYYEO-ZWKOTPCHSA-N 2 3 351.539 0.203 20 0 FCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418627339 489712599 /nfs/dbraw/zinc/71/25/99/489712599.db2.gz AVZIZKZUFHASBD-HKUYNNGSSA-N 2 3 369.554 0.813 20 0 FCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418627339 489712601 /nfs/dbraw/zinc/71/26/01/489712601.db2.gz AVZIZKZUFHASBD-HKUYNNGSSA-N 2 3 369.554 0.813 20 0 FCADHP c1cc(N2CC[NH2+]CC2)cc(NC2CCN(CCN3CCOCC3)CC2)[nH+]1 ZINC000635009947 492375733 /nfs/dbraw/zinc/37/57/33/492375733.db2.gz PJMGYDSVBAPCOV-UHFFFAOYSA-N 2 3 374.533 0.700 20 0 FCADHP N[C@H](CCC[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723126 1224577310 /nfs/dbraw/zinc/57/73/10/1224577310.db2.gz JDALPUYNAUTVMM-RTBURBONSA-N 3 3 373.545 0.671 20 0 FCADHP N[C@H](CCC[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723126 1224577314 /nfs/dbraw/zinc/57/73/14/1224577314.db2.gz JDALPUYNAUTVMM-RTBURBONSA-N 3 3 373.545 0.671 20 0 FCADHP Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1C[NH2+]CC13CNC3)CC21CC[NH2+]CC1 ZINC001219754763 1224597740 /nfs/dbraw/zinc/59/77/40/1224597740.db2.gz YKCRTJJKGJAGHD-QZTJIDSGSA-N 2 3 354.498 0.986 20 0 FCADHP CC(C)(C)OC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCC([NH3+])CC1 ZINC001220039728 1224735316 /nfs/dbraw/zinc/73/53/16/1224735316.db2.gz QKXJCGQOPUDLPL-CRBFVWNYSA-N 2 3 366.506 0.284 20 0 FCADHP COc1ccc(CC[NH+]2CCC(NC(=O)[C@H]3C[NH2+]CC34CNC4)CC2)cc1 ZINC001220743987 1225048186 /nfs/dbraw/zinc/04/81/86/1225048186.db2.gz XFXNMEVHUBLRSP-LJQANCHMSA-N 2 3 372.513 0.627 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903790 1223112245 /nfs/dbraw/zinc/11/22/45/1223112245.db2.gz OYAOEYIDUHHTOO-YEWWUXTCSA-N 2 3 365.453 0.531 20 0 FCADHP N[C@H](C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001160589543 1223166046 /nfs/dbraw/zinc/16/60/46/1223166046.db2.gz YAYIWZHVLTYXNJ-INIZCTEOSA-N 2 3 357.458 0.170 20 0 FCADHP CN1CCN(c2cccc(CN3CC[NH2+]CCNCC[NH2+]CC3)c2)CC1 ZINC001235874871 1259583599 /nfs/dbraw/zinc/58/35/99/1259583599.db2.gz WGKIMZZFAHFXNT-UHFFFAOYSA-N 2 3 360.550 0.023 20 0 FCADHP C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157371062 849967238 /nfs/dbraw/zinc/96/72/38/849967238.db2.gz NOUDXFLYTZLUTD-HOTGVXAUSA-N 2 3 355.527 0.282 20 0 FCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626130 849984918 /nfs/dbraw/zinc/98/49/18/849984918.db2.gz AKNFRAUXMDKNAI-QGZVFWFLSA-N 2 3 350.507 0.146 20 0 FCADHP CC(C)(C)N(C(=O)[C@@H](N)C1CC[NH2+]CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160871 850098473 /nfs/dbraw/zinc/09/84/73/850098473.db2.gz UIDIAGCQVSFRFP-HOTGVXAUSA-N 2 3 352.523 0.852 20 0 FCADHP CN(C)CCN(C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161447716 850259881 /nfs/dbraw/zinc/25/98/81/850259881.db2.gz YMGFTBDEWJXODM-SCTDSRPQSA-N 2 3 352.523 0.677 20 0 FCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566244174 491429962 /nfs/dbraw/zinc/42/99/62/491429962.db2.gz DBNSWYGNEDVJTQ-MUGJNUQGSA-N 2 3 374.529 0.498 20 0 FCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566244174 491429964 /nfs/dbraw/zinc/42/99/64/491429964.db2.gz DBNSWYGNEDVJTQ-MUGJNUQGSA-N 2 3 374.529 0.498 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218993528 1224281585 /nfs/dbraw/zinc/28/15/85/1224281585.db2.gz QHWKRBBPLZBRQM-RDJZCZTQSA-N 2 3 359.474 0.676 20 0 FCADHP COc1cc2c(cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504562 1224491683 /nfs/dbraw/zinc/49/16/83/1224491683.db2.gz VARBUHCOLCGNBO-LPHOPBHVSA-N 2 3 373.457 0.144 20 0 FCADHP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)COC1 ZINC001220020373 1224729575 /nfs/dbraw/zinc/72/95/75/1224729575.db2.gz GNDRUMYBMZNUML-QGZVFWFLSA-N 2 3 358.486 0.617 20 0 FCADHP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)COC1 ZINC001220020373 1224729580 /nfs/dbraw/zinc/72/95/80/1224729580.db2.gz GNDRUMYBMZNUML-QGZVFWFLSA-N 2 3 358.486 0.617 20 0 FCADHP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001221373839 1225304233 /nfs/dbraw/zinc/30/42/33/1225304233.db2.gz PGJGWXCZXODKRX-HOTGVXAUSA-N 2 3 369.554 0.848 20 0 FCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001158569297 1223102374 /nfs/dbraw/zinc/10/23/74/1223102374.db2.gz XRMHLCQLVOKCSI-QRVBRYPASA-N 2 3 354.498 0.918 20 0 FCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158569297 1223102377 /nfs/dbraw/zinc/10/23/77/1223102377.db2.gz XRMHLCQLVOKCSI-QRVBRYPASA-N 2 3 354.498 0.918 20 0 FCADHP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160645 1223119848 /nfs/dbraw/zinc/11/98/48/1223119848.db2.gz NNKZKFWGNNYSHL-JXXFODFXSA-N 2 3 364.534 0.724 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236289 1223121814 /nfs/dbraw/zinc/12/18/14/1223121814.db2.gz NGAVORFDMZYUFQ-INIZCTEOSA-N 2 3 371.489 0.413 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160137536 1223146514 /nfs/dbraw/zinc/14/65/14/1223146514.db2.gz DMVKMLPYQMGGCJ-CUSZFKRNSA-N 2 3 361.490 0.638 20 0 FCADHP CN(C)CCN(C(=O)c1cccnc1O[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161449715 1223199658 /nfs/dbraw/zinc/19/96/58/1223199658.db2.gz QJTUVTOOABKJER-HOTGVXAUSA-N 2 3 361.490 0.578 20 0 FCADHP CO[C@@H]1CN(C(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C[C@@H]1[NH3+] ZINC001161493269 1223202760 /nfs/dbraw/zinc/20/27/60/1223202760.db2.gz IMKMQYRIYZNBPK-RCLSDMTESA-N 2 3 372.513 0.673 20 0 FCADHP CCOC(=O)[C@@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CCC12C[NH2+]C2 ZINC001246060170 1259645059 /nfs/dbraw/zinc/64/50/59/1259645059.db2.gz NDNWKAJTQGWMQV-OKZBNKHCSA-N 2 3 361.486 0.392 20 0 FCADHP N[C@@H](CSCC[NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158249374 850028512 /nfs/dbraw/zinc/02/85/12/850028512.db2.gz LYMHHEKKRRVOIQ-QWRGUYRKSA-N 2 3 354.442 0.681 20 0 FCADHP CC(C)(C)N(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160859 850098083 /nfs/dbraw/zinc/09/80/83/850098083.db2.gz UESZIDWAPKXKPG-KBPBESRZSA-N 2 3 358.552 0.544 20 0 FCADHP COc1cc(C)nc(N(C(=O)[C@@H](N)CCCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161308571 850251087 /nfs/dbraw/zinc/25/10/87/850251087.db2.gz DOGPIHXUYSWLLW-AWEZNQCLSA-N 2 3 350.467 0.335 20 0 FCADHP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC2 ZINC001161480313 850262598 /nfs/dbraw/zinc/26/25/98/850262598.db2.gz OVAURTWEAKLOCE-MPGHIAIKSA-N 2 3 354.495 0.236 20 0 FCADHP CC(C)(C)OC(=O)C1(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CCC([NH3+])CC1 ZINC001220039375 855929763 /nfs/dbraw/zinc/92/97/63/855929763.db2.gz BQBLWKSQIXXHEJ-FVRSWCFKSA-N 2 3 354.495 0.411 20 0 FCADHP N[C@@H](CSCC[NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220610204 856205580 /nfs/dbraw/zinc/20/55/80/856205580.db2.gz LBRAUXBJVUZCPS-RYUDHWBXSA-N 2 3 361.309 0.584 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245999200 857563306 /nfs/dbraw/zinc/56/33/06/857563306.db2.gz ZKMREHXRBWEOBD-XDNAFOTISA-N 2 3 355.429 0.696 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245999200 857563312 /nfs/dbraw/zinc/56/33/12/857563312.db2.gz ZKMREHXRBWEOBD-XDNAFOTISA-N 2 3 355.429 0.696 20 0 FCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418789947 489727448 /nfs/dbraw/zinc/72/74/48/489727448.db2.gz MHMKNKLBSOWJMS-DLBZAZTESA-N 2 3 355.527 0.422 20 0 FCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418789947 489727452 /nfs/dbraw/zinc/72/74/52/489727452.db2.gz MHMKNKLBSOWJMS-DLBZAZTESA-N 2 3 355.527 0.422 20 0 FCADHP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCN(CC)CC2)CC[NH2+]CC1 ZINC000422868436 490489590 /nfs/dbraw/zinc/48/95/90/490489590.db2.gz UXHIFCCBRBNODG-KRWDZBQOSA-N 2 3 354.539 0.925 20 0 FCADHP Nc1c(F)cccc1N(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CC[NH2+]CC1 ZINC001219281049 1224412710 /nfs/dbraw/zinc/41/27/10/1224412710.db2.gz WDLGIVNQXOSKFW-BFUOFWGJSA-N 2 3 361.465 0.692 20 0 FCADHP COc1cc2c(cc1NC(=O)[C@@H](N)CCCC[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219501790 1224488937 /nfs/dbraw/zinc/48/89/37/1224488937.db2.gz YSFYUILMGQBXFX-SGTLLEGYSA-N 2 3 361.446 0.273 20 0 FCADHP COc1cc2c(cc1NC(=O)[C@H](N)C1CC[NH2+]CC1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504566 1224491278 /nfs/dbraw/zinc/49/12/78/1224491278.db2.gz VARBUHCOLCGNBO-VQIMIIECSA-N 2 3 373.457 0.144 20 0 FCADHP CC(C)(O)[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219724129 1224576456 /nfs/dbraw/zinc/57/64/56/1224576456.db2.gz ZEGVGMRJXNZNKT-ZWKOTPCHSA-N 2 3 374.529 0.703 20 0 FCADHP CC(C)(O)[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219724129 1224576459 /nfs/dbraw/zinc/57/64/59/1224576459.db2.gz ZEGVGMRJXNZNKT-ZWKOTPCHSA-N 2 3 374.529 0.703 20 0 FCADHP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220974615 1225169685 /nfs/dbraw/zinc/16/96/85/1225169685.db2.gz FCSYUAMAGYZJDU-KRWDZBQOSA-N 2 3 360.477 0.663 20 0 FCADHP C[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001157615427 1223079426 /nfs/dbraw/zinc/07/94/26/1223079426.db2.gz LHONUXALHPIXBT-FUHIMQAGSA-N 2 3 373.545 0.858 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168171 1223090252 /nfs/dbraw/zinc/09/02/52/1223090252.db2.gz CRMPSNOGNXIEOA-HOTGVXAUSA-N 2 3 365.522 0.178 20 0 FCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159132628 1223118319 /nfs/dbraw/zinc/11/83/19/1223118319.db2.gz BVKIZIXXYXVDET-SJORKVTESA-N 2 3 364.538 0.899 20 0 FCADHP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665244 1223132803 /nfs/dbraw/zinc/13/28/03/1223132803.db2.gz IGWYPTFIZJUDFS-KSZLIROESA-N 2 3 361.490 0.340 20 0 FCADHP Cc1ccc(N(C(=O)[C@H](N)CCC[NH3+])[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054069 1223143580 /nfs/dbraw/zinc/14/35/80/1223143580.db2.gz WVMYCACVYOPSIL-DAYGRLMNSA-N 2 3 362.478 0.095 20 0 FCADHP COc1ccnc(N(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C2CC[NH2+]CC2)c1 ZINC001161385521 1223197687 /nfs/dbraw/zinc/19/76/87/1223197687.db2.gz CXESLJCAEFOZNM-AUUYWEPGSA-N 2 3 359.474 0.374 20 0 FCADHP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CCN(Cc2ccncc2)CC1 ZINC001246923736 1259694899 /nfs/dbraw/zinc/69/48/99/1259694899.db2.gz FWYQAIVLOIJGQM-UHFFFAOYSA-N 2 3 362.522 0.162 20 0 FCADHP CN1CCC[C@H](C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)C1 ZINC001275880143 861247758 /nfs/dbraw/zinc/24/77/58/861247758.db2.gz RYMGHFILRMLHPF-HKUYNNGSSA-N 2 3 352.523 0.441 20 0 FCADHP CN1CCC[C@H](C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)C1 ZINC001275880143 861247771 /nfs/dbraw/zinc/24/77/71/861247771.db2.gz RYMGHFILRMLHPF-HKUYNNGSSA-N 2 3 352.523 0.441 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCCN(C4CC[NH2+]CC4)C3)C[C@H]2CF)CC1 ZINC001158568221 850060673 /nfs/dbraw/zinc/06/06/73/850060673.db2.gz NOUZBLLGDPTNCR-BFYDXBDKSA-N 2 3 352.498 0.986 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](C4CCNCC4)C3)C[C@H]2CF)CC1 ZINC001158568221 850060681 /nfs/dbraw/zinc/06/06/81/850060681.db2.gz NOUZBLLGDPTNCR-BFYDXBDKSA-N 2 3 352.498 0.986 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](C4CCNCC4)C3)C[C@H]2CF)CC1 ZINC001158568221 850060693 /nfs/dbraw/zinc/06/06/93/850060693.db2.gz NOUZBLLGDPTNCR-BFYDXBDKSA-N 2 3 352.498 0.986 20 0 FCADHP N[C@@H](CCC[NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158890798 850083887 /nfs/dbraw/zinc/08/38/87/850083887.db2.gz NFZYPZUSPDKBFU-RVSPLBMKSA-N 2 3 351.426 0.141 20 0 FCADHP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001161158543 850236116 /nfs/dbraw/zinc/23/61/16/850236116.db2.gz WNNJNLCGZITSMZ-OAHLLOKOSA-N 2 3 354.495 0.191 20 0 FCADHP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001161158543 850236123 /nfs/dbraw/zinc/23/61/23/850236123.db2.gz WNNJNLCGZITSMZ-OAHLLOKOSA-N 2 3 354.495 0.191 20 0 FCADHP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001161158543 850236126 /nfs/dbraw/zinc/23/61/26/850236126.db2.gz WNNJNLCGZITSMZ-OAHLLOKOSA-N 2 3 354.495 0.191 20 0 FCADHP CN(C)CCN(C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161447718 850259459 /nfs/dbraw/zinc/25/94/59/850259459.db2.gz YMGFTBDEWJXODM-YQVWRLOYSA-N 2 3 352.523 0.677 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCCCN1CC[NH2+]CC1 ZINC001245971105 857561880 /nfs/dbraw/zinc/56/18/80/857561880.db2.gz FJOXQCKBXKXPGT-ZWKOTPCHSA-N 2 3 356.461 0.471 20 0 FCADHP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCCN(C)CC2)CC[NH2+]CC1 ZINC000422982404 490510097 /nfs/dbraw/zinc/51/00/97/490510097.db2.gz WOZNAUWZTKCVKG-KRWDZBQOSA-N 2 3 354.539 0.925 20 0 FCADHP C[C@](N)(CO)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723756 1224576349 /nfs/dbraw/zinc/57/63/49/1224576349.db2.gz RTZAXRPQLUOUIS-HKUYNNGSSA-N 2 3 360.502 0.314 20 0 FCADHP C[C@](N)(CO)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723756 1224576354 /nfs/dbraw/zinc/57/63/54/1224576354.db2.gz RTZAXRPQLUOUIS-HKUYNNGSSA-N 2 3 360.502 0.314 20 0 FCADHP Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1C[NH2+]CC13CNC3)CC21CC[NH2+]CC1 ZINC001219754762 1224597242 /nfs/dbraw/zinc/59/72/42/1224597242.db2.gz YKCRTJJKGJAGHD-MSOLQXFVSA-N 2 3 354.498 0.986 20 0 FCADHP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)COC1 ZINC001220020372 1224729881 /nfs/dbraw/zinc/72/98/81/1224729881.db2.gz GNDRUMYBMZNUML-KRWDZBQOSA-N 2 3 358.486 0.617 20 0 FCADHP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)COC1 ZINC001220020372 1224729886 /nfs/dbraw/zinc/72/98/86/1224729886.db2.gz GNDRUMYBMZNUML-KRWDZBQOSA-N 2 3 358.486 0.617 20 0 FCADHP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220351220 1224839320 /nfs/dbraw/zinc/83/93/20/1224839320.db2.gz WNLQGJWWHAKVTK-YESZJQIVSA-N 2 3 362.474 0.628 20 0 FCADHP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001221003523 1225182378 /nfs/dbraw/zinc/18/23/78/1225182378.db2.gz AXEFJGGRHQKPFL-SOAMZJECSA-N 2 3 357.502 0.879 20 0 FCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001221390760 1225304938 /nfs/dbraw/zinc/30/49/38/1225304938.db2.gz HSBOCLYLNNTFEU-JXFKEZNVSA-N 2 3 372.517 0.776 20 0 FCADHP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ncnc2c1CC[NH2+]CC2 ZINC001158758656 1223107192 /nfs/dbraw/zinc/10/71/92/1223107192.db2.gz CHTJLSYVYLKKNG-AUUYWEPGSA-N 2 3 358.490 0.105 20 0 FCADHP CCOC(=O)[C@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CCC12C[NH2+]C2 ZINC001246060169 1259645119 /nfs/dbraw/zinc/64/51/19/1259645119.db2.gz NDNWKAJTQGWMQV-FGTMMUONSA-N 2 3 361.486 0.392 20 0 FCADHP C[NH+](C)CCn1cc(NC(=O)[C@@]23C[C@@H]2CCN3CC2CC[NH2+]CC2)cn1 ZINC001280138416 1261014662 /nfs/dbraw/zinc/01/46/62/1261014662.db2.gz YPWIUARVSBCNMB-QFBILLFUSA-N 2 3 360.506 0.847 20 0 FCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160630473 850186977 /nfs/dbraw/zinc/18/69/77/850186977.db2.gz ZIKOILIVXFILLB-KRWDZBQOSA-N 3 3 353.555 0.593 20 0 FCADHP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062451 850227081 /nfs/dbraw/zinc/22/70/81/850227081.db2.gz KDBNIWSZSILRFF-QXSJWSMHSA-N 2 3 353.511 0.162 20 0 FCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363389900 489461695 /nfs/dbraw/zinc/46/16/95/489461695.db2.gz OCKMZEYDEGCGNV-ZWKOTPCHSA-N 2 3 369.554 0.765 20 0 FCADHP N[C@H](CCC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723125 1224576791 /nfs/dbraw/zinc/57/67/91/1224576791.db2.gz JDALPUYNAUTVMM-RBUKOAKNSA-N 3 3 373.545 0.671 20 0 FCADHP N[C@H](CCC[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723125 1224576796 /nfs/dbraw/zinc/57/67/96/1224576796.db2.gz JDALPUYNAUTVMM-RBUKOAKNSA-N 3 3 373.545 0.671 20 0 FCADHP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220351218 1224839273 /nfs/dbraw/zinc/83/92/73/1224839273.db2.gz WNLQGJWWHAKVTK-IXDOHACOSA-N 2 3 362.474 0.628 20 0 FCADHP NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001220971200 1225165980 /nfs/dbraw/zinc/16/59/80/1225165980.db2.gz XJYMTLFGPYYGRR-INIZCTEOSA-N 2 3 361.490 0.079 20 0 FCADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001159134445 1223118264 /nfs/dbraw/zinc/11/82/64/1223118264.db2.gz NXVHYMMIYBJBNA-HOTGVXAUSA-N 2 3 360.506 0.277 20 0 FCADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001159134445 1223118266 /nfs/dbraw/zinc/11/82/66/1223118266.db2.gz NXVHYMMIYBJBNA-HOTGVXAUSA-N 2 3 360.506 0.277 20 0 FCADHP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160644 1223119535 /nfs/dbraw/zinc/11/95/35/1223119535.db2.gz NNKZKFWGNNYSHL-GQIGUUNPSA-N 2 3 364.534 0.724 20 0 FCADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001159481446 1223128044 /nfs/dbraw/zinc/12/80/44/1223128044.db2.gz PRXUJNGYGDFPRI-QWFCFKBJSA-N 2 3 364.534 0.520 20 0 FCADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001159481446 1223128046 /nfs/dbraw/zinc/12/80/46/1223128046.db2.gz PRXUJNGYGDFPRI-QWFCFKBJSA-N 2 3 364.534 0.520 20 0 FCADHP [NH3+][C@H](C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1)C1CC[NH2+]CC1 ZINC001159665260 1223133221 /nfs/dbraw/zinc/13/32/21/1223133221.db2.gz INWQNXWPRUMQAM-FHWLQOOXSA-N 2 3 373.501 0.210 20 0 FCADHP COc1cc(C)nc(N(C(=O)[C@H](N)C2CC[NH2+]CC2)C2CC[NH2+]CC2)n1 ZINC001161308965 1223195239 /nfs/dbraw/zinc/19/52/39/1223195239.db2.gz JWHFMBMAJSWEOE-MRXNPFEDSA-N 2 3 362.478 0.206 20 0 FCADHP CN(C)CCN(C(=O)c1cccnc1O[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161449714 1223199829 /nfs/dbraw/zinc/19/98/29/1223199829.db2.gz QJTUVTOOABKJER-CVEARBPZSA-N 2 3 361.490 0.578 20 0 FCADHP CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679931 1259660011 /nfs/dbraw/zinc/66/00/11/1259660011.db2.gz RDKCEXWIVPOJMB-FUHWJXTLSA-N 2 3 364.534 0.820 20 0 FCADHP CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679931 1259660019 /nfs/dbraw/zinc/66/00/19/1259660019.db2.gz RDKCEXWIVPOJMB-FUHWJXTLSA-N 2 3 364.534 0.820 20 0 FCADHP COC(=O)C1C[C@@H]2CC([NH+]3CCC(N4CCC([NH3+])CC4)CC3)C[C@H](C1)N2 ZINC001246969536 1259697491 /nfs/dbraw/zinc/69/74/91/1259697491.db2.gz QKVMKVGYUSANIM-WPUGQYJPSA-N 2 3 364.534 0.946 20 0 FCADHP CC1([NH+]2CCOCC2)CCC([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC001551404222 1268231640 /nfs/dbraw/zinc/23/16/40/1268231640.db2.gz XTORONSWLZZBEX-LRYGQEGESA-N 2 3 352.523 0.807 20 0 FCADHP CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158855038 850081241 /nfs/dbraw/zinc/08/12/41/850081241.db2.gz AWBOLKZAFKQCFP-AWEZNQCLSA-N 2 3 350.511 0.981 20 0 FCADHP CC(C)(C)N(C(=O)[C@@H](N)C1CC[NH2+]CC1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160870 850098839 /nfs/dbraw/zinc/09/88/39/850098839.db2.gz UIDIAGCQVSFRFP-CVEARBPZSA-N 2 3 352.523 0.852 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001245984156 857563066 /nfs/dbraw/zinc/56/30/66/857563066.db2.gz IFKJYIUJUNZVBS-YESZJQIVSA-N 2 3 355.429 0.696 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001245984156 857563068 /nfs/dbraw/zinc/56/30/68/857563068.db2.gz IFKJYIUJUNZVBS-YESZJQIVSA-N 2 3 355.429 0.696 20 0 FCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418789949 489727529 /nfs/dbraw/zinc/72/75/29/489727529.db2.gz MHMKNKLBSOWJMS-IRXDYDNUSA-N 2 3 355.527 0.422 20 0 FCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418789949 489727534 /nfs/dbraw/zinc/72/75/34/489727534.db2.gz MHMKNKLBSOWJMS-IRXDYDNUSA-N 2 3 355.527 0.422 20 0 FCADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849103093 671317904 /nfs/dbraw/zinc/31/79/04/671317904.db2.gz GYXABMRVQKUPKK-INIZCTEOSA-N 2 3 352.527 0.577 20 0 FCADHP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001158467479 1223099534 /nfs/dbraw/zinc/09/95/34/1223099534.db2.gz IIWKOHFCAFJEQP-YZVOILCLSA-N 2 3 366.506 0.224 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903789 1223112199 /nfs/dbraw/zinc/11/21/99/1223112199.db2.gz OYAOEYIDUHHTOO-XUWXXGDYSA-N 2 3 365.453 0.531 20 0 FCADHP Cc1cccc(N(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159338475 1223124816 /nfs/dbraw/zinc/12/48/16/1223124816.db2.gz FHYSCOBBWMGCGO-LQWHRVPQSA-N 2 3 370.497 0.658 20 0 FCADHP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])CC[C@@H]21 ZINC001159534660 1223129225 /nfs/dbraw/zinc/12/92/25/1223129225.db2.gz PMFBCBBYQGZSBX-OWSLCNJRSA-N 2 3 362.522 0.649 20 0 FCADHP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])CC[C@@H]21 ZINC001159534660 1223129228 /nfs/dbraw/zinc/12/92/28/1223129228.db2.gz PMFBCBBYQGZSBX-OWSLCNJRSA-N 2 3 362.522 0.649 20 0 FCADHP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])CC[C@@H]21 ZINC001159534662 1223129414 /nfs/dbraw/zinc/12/94/14/1223129414.db2.gz PMFBCBBYQGZSBX-XDNAFOTISA-N 2 3 362.522 0.649 20 0 FCADHP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])CC[C@@H]21 ZINC001159534662 1223129417 /nfs/dbraw/zinc/12/94/17/1223129417.db2.gz PMFBCBBYQGZSBX-XDNAFOTISA-N 2 3 362.522 0.649 20 0 FCADHP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160536856 1223163705 /nfs/dbraw/zinc/16/37/05/1223163705.db2.gz BCZIHOPTWBRPIP-IRXDYDNUSA-N 2 3 367.538 0.376 20 0 FCADHP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161049290 1223184560 /nfs/dbraw/zinc/18/45/60/1223184560.db2.gz FLIAAERZLPANHO-IKGGRYGDSA-N 2 3 367.538 0.375 20 0 FCADHP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161049290 1223184563 /nfs/dbraw/zinc/18/45/63/1223184563.db2.gz FLIAAERZLPANHO-IKGGRYGDSA-N 2 3 367.538 0.375 20 0 FCADHP CCC(CC)[C@@H]([NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246415877 1259651692 /nfs/dbraw/zinc/65/16/92/1259651692.db2.gz PGQKIQJBSLPNBD-KKCYAQHRSA-N 2 3 367.534 0.876 20 0 FCADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001159481217 850117528 /nfs/dbraw/zinc/11/75/28/850117528.db2.gz KAILRUYXUOUMGC-SOLBZPMBSA-N 2 3 370.563 0.213 20 0 FCADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001159481217 850117536 /nfs/dbraw/zinc/11/75/36/850117536.db2.gz KAILRUYXUOUMGC-SOLBZPMBSA-N 2 3 370.563 0.213 20 0 FCADHP O=C([C@@H]1CCCN(C2CC[NH2+]CC2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001451 850220048 /nfs/dbraw/zinc/22/00/48/850220048.db2.gz YOJASVMUNHRIJH-NVXWUHKLSA-N 2 3 350.507 0.166 20 0 FCADHP O=C([C@@H]1CCC[N@@H+](C2CCNCC2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001451 850220052 /nfs/dbraw/zinc/22/00/52/850220052.db2.gz YOJASVMUNHRIJH-NVXWUHKLSA-N 2 3 350.507 0.166 20 0 FCADHP O=C([C@@H]1CCC[N@H+](C2CCNCC2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001451 850220059 /nfs/dbraw/zinc/22/00/59/850220059.db2.gz YOJASVMUNHRIJH-NVXWUHKLSA-N 2 3 350.507 0.166 20 0 FCADHP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062455 850226351 /nfs/dbraw/zinc/22/63/51/850226351.db2.gz KDBNIWSZSILRFF-VGWMRTNUSA-N 2 3 353.511 0.162 20 0 FCADHP N[C@@H](CSCC[NH3+])C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001221271810 856534938 /nfs/dbraw/zinc/53/49/38/856534938.db2.gz JPAJPWMXXYBZAX-GZWBLTSWSA-N 2 3 370.503 0.668 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245999197 857563151 /nfs/dbraw/zinc/56/31/51/857563151.db2.gz ZKMREHXRBWEOBD-WNRNVDISSA-N 2 3 355.429 0.696 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245999197 857563160 /nfs/dbraw/zinc/56/31/60/857563160.db2.gz ZKMREHXRBWEOBD-WNRNVDISSA-N 2 3 355.429 0.696 20 0 FCADHP CCOC(=O)C1([C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980170 490509925 /nfs/dbraw/zinc/50/99/25/490509925.db2.gz OSNHDWJAYBPJAK-DLBZAZTESA-N 2 3 355.523 0.990 20 0 FCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566244166 491429943 /nfs/dbraw/zinc/42/99/43/491429943.db2.gz DBNSWYGNEDVJTQ-FYQPLNBISA-N 2 3 374.529 0.498 20 0 FCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000566244166 491429944 /nfs/dbraw/zinc/42/99/44/491429944.db2.gz DBNSWYGNEDVJTQ-FYQPLNBISA-N 2 3 374.529 0.498 20 0 FCADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348665 492913455 /nfs/dbraw/zinc/91/34/55/492913455.db2.gz MLLMFUFCMXTQDT-BQFCYCMXSA-N 2 3 352.523 0.805 20 0 FCADHP O=C(Nc1cc(F)ccc1OCC1CC[NH2+]CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219130977 1224362902 /nfs/dbraw/zinc/36/29/02/1224362902.db2.gz WEAVZFPKNAXWDI-HNNXBMFYSA-N 2 3 362.449 0.952 20 0 FCADHP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219981228 1224712404 /nfs/dbraw/zinc/71/24/04/1224712404.db2.gz ZXDHCBVOLBBVHC-IKGGRYGDSA-N 2 3 367.538 0.282 20 0 FCADHP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219981228 1224712408 /nfs/dbraw/zinc/71/24/08/1224712408.db2.gz ZXDHCBVOLBBVHC-IKGGRYGDSA-N 2 3 367.538 0.282 20 0 FCADHP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220351219 1224838802 /nfs/dbraw/zinc/83/88/02/1224838802.db2.gz WNLQGJWWHAKVTK-ULQDDVLXSA-N 2 3 362.474 0.628 20 0 FCADHP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220974616 1225169388 /nfs/dbraw/zinc/16/93/88/1225169388.db2.gz FCSYUAMAGYZJDU-QGZVFWFLSA-N 2 3 360.477 0.663 20 0 FCADHP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001157615428 1223079548 /nfs/dbraw/zinc/07/95/48/1223079548.db2.gz LHONUXALHPIXBT-UWVAXJGDSA-N 2 3 373.545 0.858 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903787 1223112441 /nfs/dbraw/zinc/11/24/41/1223112441.db2.gz OYAOEYIDUHHTOO-DHSIGJKJSA-N 2 3 365.453 0.531 20 0 FCADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001159472865 1223128056 /nfs/dbraw/zinc/12/80/56/1223128056.db2.gz ZKWXXCMKGCMESR-ZIFCJYIRSA-N 2 3 362.518 0.002 20 0 FCADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001159472865 1223128058 /nfs/dbraw/zinc/12/80/58/1223128058.db2.gz ZKWXXCMKGCMESR-ZIFCJYIRSA-N 2 3 362.518 0.002 20 0 FCADHP CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@H]1C[NH2+]CC2 ZINC001160811634 850200757 /nfs/dbraw/zinc/20/07/57/850200757.db2.gz QYYKRLMHFCMRRX-RVKKMQEKSA-N 2 3 354.495 0.047 20 0 FCADHP CN(C)CCN(C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001161444062 850260191 /nfs/dbraw/zinc/26/01/91/850260191.db2.gz BAWIIDPADPACBT-KURKYZTESA-N 2 3 351.539 0.203 20 0 FCADHP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220315700 856061261 /nfs/dbraw/zinc/06/12/61/856061261.db2.gz HFKNJKZMRPNDBW-GJYPPUQNSA-N 2 3 350.507 0.478 20 0 FCADHP N[C@@H](CSCC[NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220610201 856206027 /nfs/dbraw/zinc/20/60/27/856206027.db2.gz LBRAUXBJVUZCPS-NWDGAFQWSA-N 2 3 361.309 0.584 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245999204 857563276 /nfs/dbraw/zinc/56/32/76/857563276.db2.gz ZKMREHXRBWEOBD-XMTFNYHQSA-N 2 3 355.429 0.696 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001245999204 857563278 /nfs/dbraw/zinc/56/32/78/857563278.db2.gz ZKMREHXRBWEOBD-XMTFNYHQSA-N 2 3 355.429 0.696 20 0 FCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566244176 491430162 /nfs/dbraw/zinc/43/01/62/491430162.db2.gz DBNSWYGNEDVJTQ-WCIQWLHISA-N 2 3 374.529 0.498 20 0 FCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566244176 491430163 /nfs/dbraw/zinc/43/01/63/491430163.db2.gz DBNSWYGNEDVJTQ-WCIQWLHISA-N 2 3 374.529 0.498 20 0 FCADHP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220900302 1225129338 /nfs/dbraw/zinc/12/93/38/1225129338.db2.gz GPXQNMRZKBWDCC-INIZCTEOSA-N 2 3 367.538 0.426 20 0 FCADHP CN[C@@H](CCCC[NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160584374 1223165564 /nfs/dbraw/zinc/16/55/64/1223165564.db2.gz DKCPKLQJVGPSKA-HNNXBMFYSA-N 2 3 359.474 0.560 20 0 FCADHP CN(C)CCN(C(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161443610 1223199170 /nfs/dbraw/zinc/19/91/70/1223199170.db2.gz ZQWUTPXSUDEGKY-IRXDYDNUSA-N 2 3 374.533 0.276 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246019839 1259643448 /nfs/dbraw/zinc/64/34/48/1259643448.db2.gz ATVUHFQWCFIMRS-ZWKOTPCHSA-N 2 3 369.456 0.898 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246019839 1259643457 /nfs/dbraw/zinc/64/34/57/1259643457.db2.gz ATVUHFQWCFIMRS-ZWKOTPCHSA-N 2 3 369.456 0.898 20 0 FCADHP CCOC(=O)C[C@@H](NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246006522 1259644414 /nfs/dbraw/zinc/64/44/14/1259644414.db2.gz WUVMSVFFFLOVSV-IPMKNSEASA-N 2 3 363.502 0.828 20 0 FCADHP CN1CCC[C@H](C[N@@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)C1 ZINC001279501456 1260880725 /nfs/dbraw/zinc/88/07/25/1260880725.db2.gz GKSHZLKOEXGGEB-AZUAARDMSA-N 2 3 365.566 0.546 20 0 FCADHP CN1CCC[C@H](C[N@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)C1 ZINC001279501456 1260880730 /nfs/dbraw/zinc/88/07/30/1260880730.db2.gz GKSHZLKOEXGGEB-AZUAARDMSA-N 2 3 365.566 0.546 20 0 FCADHP O=C([C@@H]1CCCN(C2CC[NH2+]CC2)C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071317 850015697 /nfs/dbraw/zinc/01/56/97/850015697.db2.gz ZWWFCPSQCAAHBE-MRXNPFEDSA-N 2 3 350.507 0.431 20 0 FCADHP O=C([C@@H]1CCC[N@@H+](C2CCNCC2)C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071317 850015703 /nfs/dbraw/zinc/01/57/03/850015703.db2.gz ZWWFCPSQCAAHBE-MRXNPFEDSA-N 2 3 350.507 0.431 20 0 FCADHP O=C([C@@H]1CCC[N@H+](C2CCNCC2)C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071317 850015708 /nfs/dbraw/zinc/01/57/08/850015708.db2.gz ZWWFCPSQCAAHBE-MRXNPFEDSA-N 2 3 350.507 0.431 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCCN(C4CC[NH2+]CC4)C3)C[C@H]2CF)CC1 ZINC001158568224 850060379 /nfs/dbraw/zinc/06/03/79/850060379.db2.gz NOUZBLLGDPTNCR-ZMSDIMECSA-N 2 3 352.498 0.986 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](C4CCNCC4)C3)C[C@H]2CF)CC1 ZINC001158568224 850060393 /nfs/dbraw/zinc/06/03/93/850060393.db2.gz NOUZBLLGDPTNCR-ZMSDIMECSA-N 2 3 352.498 0.986 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC[N@H+](C4CCNCC4)C3)C[C@H]2CF)CC1 ZINC001158568224 850060406 /nfs/dbraw/zinc/06/04/06/850060406.db2.gz NOUZBLLGDPTNCR-ZMSDIMECSA-N 2 3 352.498 0.986 20 0 FCADHP CNC(=O)CN1CCCC12CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158890897 850083561 /nfs/dbraw/zinc/08/35/61/850083561.db2.gz PUTPWHOGNGFRDG-HNNXBMFYSA-N 2 3 353.511 0.036 20 0 FCADHP [NH3+]C[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccc(Br)cc1 ZINC001220607743 856204281 /nfs/dbraw/zinc/20/42/81/856204281.db2.gz OLGONSDWZHHTGZ-CHWSQXEVSA-N 2 3 353.264 0.374 20 0 FCADHP OC1(C[NH2+]C[C@]2(O)CCNC[C@@H]2F)CC[NH+](Cc2ccccc2)CC1 ZINC001245977643 857562112 /nfs/dbraw/zinc/56/21/12/857562112.db2.gz WYZRVEHVPAVPFM-PKOBYXMFSA-N 2 3 351.466 0.666 20 0 FCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077836788 488418695 /nfs/dbraw/zinc/41/86/95/488418695.db2.gz RPSMVXILKVSHGB-QGZVFWFLSA-N 2 3 369.554 0.622 20 0 FCADHP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)CC[NH2+]CC1 ZINC000423097153 489492687 /nfs/dbraw/zinc/49/26/87/489492687.db2.gz IYMZTWPNWLCXFG-MRXNPFEDSA-N 2 3 354.539 0.923 20 0 FCADHP O=C(CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)N1CCNCC1 ZINC000662327265 493506701 /nfs/dbraw/zinc/50/67/01/493506701.db2.gz LKSDKZZZYRQOEH-UHFFFAOYSA-N 2 3 374.533 0.878 20 0 FCADHP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221113828 1225227405 /nfs/dbraw/zinc/22/74/05/1225227405.db2.gz CVCIWFGYCALCMD-MRXNPFEDSA-N 2 3 357.502 0.693 20 0 FCADHP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221113828 1225227409 /nfs/dbraw/zinc/22/74/09/1225227409.db2.gz CVCIWFGYCALCMD-MRXNPFEDSA-N 2 3 357.502 0.693 20 0 FCADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001159134446 1223118385 /nfs/dbraw/zinc/11/83/85/1223118385.db2.gz NXVHYMMIYBJBNA-HZPDHXFCSA-N 2 3 360.506 0.277 20 0 FCADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001159134446 1223118389 /nfs/dbraw/zinc/11/83/89/1223118389.db2.gz NXVHYMMIYBJBNA-HZPDHXFCSA-N 2 3 360.506 0.277 20 0 FCADHP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001160443453 1223159701 /nfs/dbraw/zinc/15/97/01/1223159701.db2.gz JZGANLJFUUNCDI-IRXDYDNUSA-N 2 3 361.490 0.792 20 0 FCADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157448677 849974086 /nfs/dbraw/zinc/97/40/86/849974086.db2.gz FNOKNZQRPMSLPS-CQSZACIVSA-N 2 3 352.479 0.134 20 0 FCADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157448677 849974092 /nfs/dbraw/zinc/97/40/92/849974092.db2.gz FNOKNZQRPMSLPS-CQSZACIVSA-N 2 3 352.479 0.134 20 0 FCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626129 849984814 /nfs/dbraw/zinc/98/48/14/849984814.db2.gz AKNFRAUXMDKNAI-KRWDZBQOSA-N 2 3 350.507 0.146 20 0 FCADHP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC2 ZINC001161480309 850261875 /nfs/dbraw/zinc/26/18/75/850261875.db2.gz OVAURTWEAKLOCE-DAYGRLMNSA-N 2 3 354.495 0.236 20 0 FCADHP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220386533 856100743 /nfs/dbraw/zinc/10/07/43/856100743.db2.gz YLVNVEPYPRTJAE-GJZGRUSLSA-N 2 3 355.527 0.280 20 0 FCADHP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220651308 1224990964 /nfs/dbraw/zinc/99/09/64/1224990964.db2.gz JLLYYXQAELKKFG-KRWDZBQOSA-N 2 3 357.502 0.587 20 0 FCADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001159134444 1223118514 /nfs/dbraw/zinc/11/85/14/1223118514.db2.gz NXVHYMMIYBJBNA-CVEARBPZSA-N 2 3 360.506 0.277 20 0 FCADHP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001159134444 1223118516 /nfs/dbraw/zinc/11/85/16/1223118516.db2.gz NXVHYMMIYBJBNA-CVEARBPZSA-N 2 3 360.506 0.277 20 0 FCADHP Cc1cccc(N(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159338477 1223124456 /nfs/dbraw/zinc/12/44/56/1223124456.db2.gz FHYSCOBBWMGCGO-WFXMLNOXSA-N 2 3 370.497 0.658 20 0 FCADHP Cc1cccc(N(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159338474 1223124561 /nfs/dbraw/zinc/12/45/61/1223124561.db2.gz FHYSCOBBWMGCGO-BBTUJRGHSA-N 2 3 370.497 0.658 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160406461 1223158040 /nfs/dbraw/zinc/15/80/40/1223158040.db2.gz UFVQSDFCRGHRIW-AWEZNQCLSA-N 2 3 372.477 0.156 20 0 FCADHP [NH3+]CCc1cn(-c2nc3c(c(N4CCOCC4)n2)CNC3)c2cc[nH+]cc12 ZINC001160949788 1223181903 /nfs/dbraw/zinc/18/19/03/1223181903.db2.gz FJTMGWCNTBIBNR-UHFFFAOYSA-N 2 3 365.441 0.757 20 0 FCADHP COc1cc(C)nc(N(C(=O)[C@@H](N)C2CC[NH2+]CC2)C2CC[NH2+]CC2)n1 ZINC001161308964 1223195038 /nfs/dbraw/zinc/19/50/38/1223195038.db2.gz JWHFMBMAJSWEOE-INIZCTEOSA-N 2 3 362.478 0.206 20 0 FCADHP CN(C)CCN(C(=O)c1cccnc1O[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161449716 1223199575 /nfs/dbraw/zinc/19/95/75/1223199575.db2.gz QJTUVTOOABKJER-HZPDHXFCSA-N 2 3 361.490 0.578 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001246069585 1259644846 /nfs/dbraw/zinc/64/48/46/1259644846.db2.gz KSJYHSPATGSPKA-GBESFXJTSA-N 2 3 368.472 0.693 20 0 FCADHP CC[NH+](CC)C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001261321010 1260116771 /nfs/dbraw/zinc/11/67/71/1260116771.db2.gz QXAYFEIAAAZRHK-UHFFFAOYSA-N 2 3 369.554 0.271 20 0 FCADHP N[C@@H](CCC[NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158890797 850083822 /nfs/dbraw/zinc/08/38/22/850083822.db2.gz NFZYPZUSPDKBFU-JDFRZJQESA-N 2 3 351.426 0.141 20 0 FCADHP CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161340636 850253305 /nfs/dbraw/zinc/25/33/05/850253305.db2.gz RMDLGKBTAHXXNT-JYJNAYRXSA-N 2 3 353.511 0.034 20 0 FCADHP C[NH+](C)CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219921798 855880036 /nfs/dbraw/zinc/88/00/36/855880036.db2.gz YPNQISPQICSWSC-HOTGVXAUSA-N 2 3 355.527 0.282 20 0 FCADHP C[NH+](C)CCCC[C@H](N)C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220869764 856348888 /nfs/dbraw/zinc/34/88/88/856348888.db2.gz BNUMQQLQLIPFEB-ZDUSSCGKSA-N 2 3 372.311 0.809 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898320 856362993 /nfs/dbraw/zinc/36/29/93/856362993.db2.gz FRUPJBDKSWWOJQ-INIZCTEOSA-N 2 3 353.511 0.036 20 0 FCADHP COC(=O)[C@H]1CCC[N@@H+](C2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940755 857606527 /nfs/dbraw/zinc/60/65/27/857606527.db2.gz VAUAQBZMLHLHFG-RDJZCZTQSA-N 2 3 350.507 0.430 20 0 FCADHP COC(=O)[C@H]1CCC[N@H+](C2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940755 857606529 /nfs/dbraw/zinc/60/65/29/857606529.db2.gz VAUAQBZMLHLHFG-RDJZCZTQSA-N 2 3 350.507 0.430 20 0 FCADHP COC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940756 857606537 /nfs/dbraw/zinc/60/65/37/857606537.db2.gz VAUAQBZMLHLHFG-WBVHZDCISA-N 2 3 350.507 0.430 20 0 FCADHP COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940756 857606539 /nfs/dbraw/zinc/60/65/39/857606539.db2.gz VAUAQBZMLHLHFG-WBVHZDCISA-N 2 3 350.507 0.430 20 0 FCADHP CCOC(=O)C1([C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980173 490509868 /nfs/dbraw/zinc/50/98/68/490509868.db2.gz OSNHDWJAYBPJAK-SJORKVTESA-N 2 3 355.523 0.990 20 0 FCADHP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000576704621 491637821 /nfs/dbraw/zinc/63/78/21/491637821.db2.gz ZJTCPGHMPAMLHA-UHFFFAOYSA-N 2 3 353.555 0.308 20 0 FCADHP C[NH+]1CCN(C[C@@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740725 675966053 /nfs/dbraw/zinc/96/60/53/675966053.db2.gz KJFKOOVYJJJMHD-QZTJIDSGSA-N 2 3 352.523 0.093 20 0 FCADHP [NH3+]C1CCN(c2cccc(F)c2NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001219290600 1224416175 /nfs/dbraw/zinc/41/61/75/1224416175.db2.gz IJTNHZHDGYJRAU-BFUOFWGJSA-N 2 3 361.465 0.891 20 0 FCADHP CN[C@@H](CO)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219727231 1224579006 /nfs/dbraw/zinc/57/90/06/1224579006.db2.gz ZMQHDFRNCHZOTP-MSOLQXFVSA-N 2 3 360.502 0.185 20 0 FCADHP CN[C@@H](CO)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219727231 1224579013 /nfs/dbraw/zinc/57/90/13/1224579013.db2.gz ZMQHDFRNCHZOTP-MSOLQXFVSA-N 2 3 360.502 0.185 20 0 FCADHP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221113827 1225227079 /nfs/dbraw/zinc/22/70/79/1225227079.db2.gz CVCIWFGYCALCMD-INIZCTEOSA-N 2 3 357.502 0.693 20 0 FCADHP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221113827 1225227082 /nfs/dbraw/zinc/22/70/82/1225227082.db2.gz CVCIWFGYCALCMD-INIZCTEOSA-N 2 3 357.502 0.693 20 0 FCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001221390761 1225305670 /nfs/dbraw/zinc/30/56/70/1225305670.db2.gz HSBOCLYLNNTFEU-OXJNMPFZSA-N 2 3 372.517 0.776 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160909 1223090366 /nfs/dbraw/zinc/09/03/66/1223090366.db2.gz LOGXLMXSSBVEMJ-TXPKVOOTSA-N 2 3 365.522 0.178 20 0 FCADHP O=C(N1c2ccccc2C(=O)NC12CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160584252 1223165578 /nfs/dbraw/zinc/16/55/78/1223165578.db2.gz AVKYYURAWVTFCM-AUUYWEPGSA-N 2 3 369.469 0.042 20 0 FCADHP CCOC(=O)[C@H]1CN(Cc2cccc(C(=O)NCC[NH3+])c2)CCC12C[NH2+]C2 ZINC001237430192 1259598061 /nfs/dbraw/zinc/59/80/61/1259598061.db2.gz JUBSCNASAJVBHB-QGZVFWFLSA-N 2 3 374.485 0.350 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245986733 1259643997 /nfs/dbraw/zinc/64/39/97/1259643997.db2.gz QBPLTQWYFBMQNQ-OKZBNKHCSA-N 2 3 368.472 0.659 20 0 FCADHP CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679934 1259660164 /nfs/dbraw/zinc/66/01/64/1259660164.db2.gz RDKCEXWIVPOJMB-WMZOPIPTSA-N 2 3 364.534 0.820 20 0 FCADHP CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679934 1259660172 /nfs/dbraw/zinc/66/01/72/1259660172.db2.gz RDKCEXWIVPOJMB-WMZOPIPTSA-N 2 3 364.534 0.820 20 0 FCADHP CN1CC[C@H](N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001255424650 1259911290 /nfs/dbraw/zinc/91/12/90/1259911290.db2.gz ZKRVZRFIJXOUTL-FRMKIJSPSA-N 2 3 372.554 0.460 20 0 FCADHP C[NH+](C)CCn1cc(NC(=O)[C@]23C[C@H]2CCN3CC2CC[NH2+]CC2)cn1 ZINC001280138414 1261014199 /nfs/dbraw/zinc/01/41/99/1261014199.db2.gz YPWIUARVSBCNMB-APWZRJJASA-N 2 3 360.506 0.847 20 0 FCADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157448676 849973794 /nfs/dbraw/zinc/97/37/94/849973794.db2.gz FNOKNZQRPMSLPS-AWEZNQCLSA-N 2 3 352.479 0.134 20 0 FCADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157448676 849973798 /nfs/dbraw/zinc/97/37/98/849973798.db2.gz FNOKNZQRPMSLPS-AWEZNQCLSA-N 2 3 352.479 0.134 20 0 FCADHP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157844094 849999302 /nfs/dbraw/zinc/99/93/02/849999302.db2.gz UZAKLAGQXWXVGF-WCVJEAGWSA-N 2 3 353.511 0.020 20 0 FCADHP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001158499078 850058402 /nfs/dbraw/zinc/05/84/02/850058402.db2.gz VWFLUEUFSCSXLZ-YHUYYLMFSA-N 2 3 354.495 0.234 20 0 FCADHP N[C@@H](CCC[NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158890795 850083311 /nfs/dbraw/zinc/08/33/11/850083311.db2.gz NFZYPZUSPDKBFU-HACGYAERSA-N 2 3 351.426 0.141 20 0 FCADHP CN(C)CCN(C(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001161445448 850259345 /nfs/dbraw/zinc/25/93/45/850259345.db2.gz PFJZISHZIUJIBN-JENIJYKNSA-N 2 3 352.523 0.677 20 0 FCADHP N[C@@H](CSCC[NH3+])C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976539 856404252 /nfs/dbraw/zinc/40/42/52/856404252.db2.gz CQEXBNFAVYTQAI-INIZCTEOSA-N 2 3 368.522 0.873 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC001245984154 857563530 /nfs/dbraw/zinc/56/35/30/857563530.db2.gz IFKJYIUJUNZVBS-IXDOHACOSA-N 2 3 355.429 0.696 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001245984154 857563535 /nfs/dbraw/zinc/56/35/35/857563535.db2.gz IFKJYIUJUNZVBS-IXDOHACOSA-N 2 3 355.429 0.696 20 0 FCADHP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)CC[NH2+]CC1 ZINC000422868437 246927960 /nfs/dbraw/zinc/92/79/60/246927960.db2.gz UXHIFCCBRBNODG-QGZVFWFLSA-N 2 3 354.539 0.925 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220502049 1224895024 /nfs/dbraw/zinc/89/50/24/1224895024.db2.gz XYABOMJDRDROEL-ULQDDVLXSA-N 2 3 361.490 0.250 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220779151 1225067977 /nfs/dbraw/zinc/06/79/77/1225067977.db2.gz NKLASQYKQLRTKA-SAKMYQHLSA-N 2 3 365.522 0.354 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082354 1223088435 /nfs/dbraw/zinc/08/84/35/1223088435.db2.gz OPYIGBWGWWYJPB-HOTGVXAUSA-N 2 3 365.522 0.164 20 0 FCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001158569299 1223102177 /nfs/dbraw/zinc/10/21/77/1223102177.db2.gz XRMHLCQLVOKCSI-QYZOEREBSA-N 2 3 354.498 0.918 20 0 FCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158569299 1223102179 /nfs/dbraw/zinc/10/21/79/1223102179.db2.gz XRMHLCQLVOKCSI-QYZOEREBSA-N 2 3 354.498 0.918 20 0 FCADHP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780384 1223172062 /nfs/dbraw/zinc/17/20/62/1223172062.db2.gz POJYZGFDDUTSOX-OPYAIIAOSA-N 2 3 354.498 0.860 20 0 FCADHP O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780384 1223172065 /nfs/dbraw/zinc/17/20/65/1223172065.db2.gz POJYZGFDDUTSOX-OPYAIIAOSA-N 2 3 354.498 0.860 20 0 FCADHP CN(C)CCN(C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444038 1223198896 /nfs/dbraw/zinc/19/88/96/1223198896.db2.gz AJBDEFRUINTYEZ-JKSUJKDBSA-N 2 3 370.538 0.968 20 0 FCADHP CCC(CC)[C@@H]([NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246415881 1259652571 /nfs/dbraw/zinc/65/25/71/1259652571.db2.gz PGQKIQJBSLPNBD-KWKPBRMBSA-N 2 3 367.534 0.876 20 0 FCADHP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C4CC[NH+](C)CC4)CC3)[C@H]2C1 ZINC001280070923 1260989490 /nfs/dbraw/zinc/98/94/90/1260989490.db2.gz FVFOHVOOFVWFBT-ROUUACIJSA-N 2 3 363.550 0.155 20 0 FCADHP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(C4CC[NH+](C)CC4)CC3)[C@H]2C1 ZINC001280070923 1260989492 /nfs/dbraw/zinc/98/94/92/1260989492.db2.gz FVFOHVOOFVWFBT-ROUUACIJSA-N 2 3 363.550 0.155 20 0 FCADHP CC1([NH+]2CCOCC2)CCC([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC001551404224 1268231462 /nfs/dbraw/zinc/23/14/62/1268231462.db2.gz XTORONSWLZZBEX-MUYFXNHWSA-N 2 3 352.523 0.807 20 0 FCADHP [NH3+][C@H]1CC[C@H](N(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C2CCOCC2)CC1 ZINC001161315906 850250209 /nfs/dbraw/zinc/25/02/09/850250209.db2.gz FELGMFWAIFRGTF-YKTARERQSA-N 2 3 350.507 0.463 20 0 FCADHP N[C@@H](CSCC[NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926405 856378901 /nfs/dbraw/zinc/37/89/01/856378901.db2.gz KQRMIQDOMSZCOG-INIZCTEOSA-N 2 3 351.520 0.429 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001245984124 857563368 /nfs/dbraw/zinc/56/33/68/857563368.db2.gz MPJDVFZDNNNYFG-YESZJQIVSA-N 2 3 355.429 0.696 20 0 FCADHP [NH3+]C1CCN(C2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)CC1 ZINC001246963125 857606425 /nfs/dbraw/zinc/60/64/25/857606425.db2.gz GFPAOQIODAGRRQ-IRXDYDNUSA-N 2 3 367.563 0.137 20 0 FCADHP CCOC(=O)C1([C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980171 490510584 /nfs/dbraw/zinc/51/05/84/490510584.db2.gz OSNHDWJAYBPJAK-IAGOWNOFSA-N 2 3 355.523 0.990 20 0 FCADHP C[C@](N)(CO)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723757 1224577405 /nfs/dbraw/zinc/57/74/05/1224577405.db2.gz RTZAXRPQLUOUIS-MJGOQNOKSA-N 2 3 360.502 0.314 20 0 FCADHP C[C@](N)(CO)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723757 1224577409 /nfs/dbraw/zinc/57/74/09/1224577409.db2.gz RTZAXRPQLUOUIS-MJGOQNOKSA-N 2 3 360.502 0.314 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777727 1224608850 /nfs/dbraw/zinc/60/88/50/1224608850.db2.gz OXASMISSTTVWNM-HOTGVXAUSA-N 2 3 365.522 0.082 20 0 FCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001221390762 1225305387 /nfs/dbraw/zinc/30/53/87/1225305387.db2.gz HSBOCLYLNNTFEU-OXQOHEQNSA-N 2 3 372.517 0.776 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903788 1223112031 /nfs/dbraw/zinc/11/20/31/1223112031.db2.gz OYAOEYIDUHHTOO-QIIPPGSGSA-N 2 3 365.453 0.531 20 0 FCADHP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665246 1223133170 /nfs/dbraw/zinc/13/31/70/1223133170.db2.gz IGWYPTFIZJUDFS-SQNIBIBYSA-N 2 3 361.490 0.340 20 0 FCADHP Cc1ccc(N(C(=O)[C@H](N)CCC[NH3+])[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054070 1223143598 /nfs/dbraw/zinc/14/35/98/1223143598.db2.gz WVMYCACVYOPSIL-HDMKZQKVSA-N 2 3 362.478 0.095 20 0 FCADHP N[C@@H](C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)C1CC[NH2+]CC1 ZINC001160139082 1223146585 /nfs/dbraw/zinc/14/65/85/1223146585.db2.gz ULOOBABXYDULDC-ISARSNTHSA-N 2 3 373.501 0.509 20 0 FCADHP CN(C)CCN(C(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161443611 1223199000 /nfs/dbraw/zinc/19/90/00/1223199000.db2.gz ZQWUTPXSUDEGKY-SJORKVTESA-N 2 3 374.533 0.276 20 0 FCADHP O=C([C@@H]1CCCN(C2CC[NH2+]CC2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001456 850220746 /nfs/dbraw/zinc/22/07/46/850220746.db2.gz YOJASVMUNHRIJH-WBVHZDCISA-N 2 3 350.507 0.166 20 0 FCADHP O=C([C@@H]1CCC[N@@H+](C2CCNCC2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001456 850220759 /nfs/dbraw/zinc/22/07/59/850220759.db2.gz YOJASVMUNHRIJH-WBVHZDCISA-N 2 3 350.507 0.166 20 0 FCADHP O=C([C@@H]1CCC[N@H+](C2CCNCC2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001456 850220774 /nfs/dbraw/zinc/22/07/74/850220774.db2.gz YOJASVMUNHRIJH-WBVHZDCISA-N 2 3 350.507 0.166 20 0 FCADHP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062449 850226471 /nfs/dbraw/zinc/22/64/71/850226471.db2.gz KDBNIWSZSILRFF-JONQDZQNSA-N 2 3 353.511 0.162 20 0 FCADHP COc1cccc(C2([NH3+])CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2)c1 ZINC001221091541 856459386 /nfs/dbraw/zinc/45/93/86/856459386.db2.gz CFDFNLVWRQUSNT-HNNXBMFYSA-N 2 3 352.504 0.491 20 0 FCADHP CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418627342 489712450 /nfs/dbraw/zinc/71/24/50/489712450.db2.gz AVZIZKZUFHASBD-PKOBYXMFSA-N 2 3 369.554 0.813 20 0 FCADHP CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418627342 489712453 /nfs/dbraw/zinc/71/24/53/489712453.db2.gz AVZIZKZUFHASBD-PKOBYXMFSA-N 2 3 369.554 0.813 20 0 FCADHP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001218854946 1224240994 /nfs/dbraw/zinc/24/09/94/1224240994.db2.gz CYHMEGREXVJUFT-KRWDZBQOSA-N 2 3 373.501 0.506 20 0 FCADHP O=C(Nc1cc(F)ccc1OCC1CC[NH2+]CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001219130981 1224363471 /nfs/dbraw/zinc/36/34/71/1224363471.db2.gz WEAVZFPKNAXWDI-OAHLLOKOSA-N 2 3 362.449 0.952 20 0 FCADHP COc1cc2c(cc1NC(=O)[C@H](N)C1CC[NH2+]CC1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504558 1224490925 /nfs/dbraw/zinc/49/09/25/1224490925.db2.gz VARBUHCOLCGNBO-APWZRJJASA-N 2 3 373.457 0.144 20 0 FCADHP CCOC(=O)c1ccc(C)c(N(C(=N)N)C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001220120964 1224777259 /nfs/dbraw/zinc/77/72/59/1224777259.db2.gz WNNXAFWWBMTSON-AUUYWEPGSA-N 2 3 373.457 0.597 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220502048 1224894615 /nfs/dbraw/zinc/89/46/15/1224894615.db2.gz XYABOMJDRDROEL-BBWFWOEESA-N 2 3 361.490 0.250 20 0 FCADHP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665245 1223133085 /nfs/dbraw/zinc/13/30/85/1223133085.db2.gz IGWYPTFIZJUDFS-KURKYZTESA-N 2 3 361.490 0.340 20 0 FCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160710516 1223169205 /nfs/dbraw/zinc/16/92/05/1223169205.db2.gz OJHJNPQAUYHFKP-LJQANCHMSA-N 2 3 354.498 0.845 20 0 FCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160710516 1223169209 /nfs/dbraw/zinc/16/92/09/1223169209.db2.gz OJHJNPQAUYHFKP-LJQANCHMSA-N 2 3 354.498 0.845 20 0 FCADHP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001161158542 850236284 /nfs/dbraw/zinc/23/62/84/850236284.db2.gz WNNJNLCGZITSMZ-HNNXBMFYSA-N 2 3 354.495 0.191 20 0 FCADHP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001161158542 850236290 /nfs/dbraw/zinc/23/62/90/850236290.db2.gz WNNJNLCGZITSMZ-HNNXBMFYSA-N 2 3 354.495 0.191 20 0 FCADHP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001161158542 850236293 /nfs/dbraw/zinc/23/62/93/850236293.db2.gz WNNJNLCGZITSMZ-HNNXBMFYSA-N 2 3 354.495 0.191 20 0 FCADHP CC(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC001161353615 850252931 /nfs/dbraw/zinc/25/29/31/850252931.db2.gz UOSJGQRUAVHHAA-JYJNAYRXSA-N 2 3 353.511 0.033 20 0 FCADHP CN(C)CCN(C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001161444064 850260030 /nfs/dbraw/zinc/26/00/30/850260030.db2.gz BAWIIDPADPACBT-SQNIBIBYSA-N 2 3 351.539 0.203 20 0 FCADHP CC(C)(C)OC(=O)C1(NC(=O)[C@H](N)C2CC[NH2+]CC2)CCC([NH3+])CC1 ZINC001220039376 855929788 /nfs/dbraw/zinc/92/97/88/855929788.db2.gz BQBLWKSQIXXHEJ-TXKKKEFDSA-N 2 3 354.495 0.411 20 0 FCADHP CCOC(=O)C1([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)CC[NH2+]CC1 ZINC000423097152 489492470 /nfs/dbraw/zinc/49/24/70/489492470.db2.gz IYMZTWPNWLCXFG-INIZCTEOSA-N 2 3 354.539 0.923 20 0 FCADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348668 492913591 /nfs/dbraw/zinc/91/35/91/492913591.db2.gz MLLMFUFCMXTQDT-XYJFISCASA-N 2 3 352.523 0.805 20 0 FCADHP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219741275 1224587674 /nfs/dbraw/zinc/58/76/74/1224587674.db2.gz FZDKRJUTZANBKK-AEFFLSMTSA-N 2 3 364.534 0.868 20 0 FCADHP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219741275 1224587680 /nfs/dbraw/zinc/58/76/80/1224587680.db2.gz FZDKRJUTZANBKK-AEFFLSMTSA-N 2 3 364.534 0.868 20 0 FCADHP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219741275 1224587688 /nfs/dbraw/zinc/58/76/88/1224587688.db2.gz FZDKRJUTZANBKK-AEFFLSMTSA-N 2 3 364.534 0.868 20 0 FCADHP CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C[C@H]1C[NH2+]CC2 ZINC001160813934 1223175431 /nfs/dbraw/zinc/17/54/31/1223175431.db2.gz MGMPYBPHYDDZFR-JTDSTZFVSA-N 2 3 368.522 0.483 20 0 FCADHP [NH3+]C[C@]1(O)CCCN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC1 ZINC001205228956 1223318603 /nfs/dbraw/zinc/31/86/03/1223318603.db2.gz KUNHGUGNNCACBP-IBGZPJMESA-N 2 3 358.490 0.872 20 0 FCADHP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C1(C)CC[NH2+]CC1 ZINC001161072616 850227983 /nfs/dbraw/zinc/22/79/83/850227983.db2.gz CVHGDLUENUYJSF-GJZGRUSLSA-N 2 3 353.511 0.034 20 0 FCADHP CN(C)CCN(C(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001161445454 850259553 /nfs/dbraw/zinc/25/95/53/850259553.db2.gz PFJZISHZIUJIBN-SCTDSRPQSA-N 2 3 352.523 0.677 20 0 FCADHP CC(C)(C)OC(=O)C1(NC(=O)[C@@H](N)CSCC[NH3+])CCC([NH3+])CC1 ZINC001220039350 855929712 /nfs/dbraw/zinc/92/97/12/855929712.db2.gz AZMWRRPRTWOSAO-BGMSHATGSA-N 2 3 360.524 0.104 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001245983774 857563570 /nfs/dbraw/zinc/56/35/70/857563570.db2.gz MPJDVFZDNNNYFG-IXDOHACOSA-N 2 3 355.429 0.696 20 0 FCADHP CN(C)CC[NH+]1CCC(CNC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433122649 489867670 /nfs/dbraw/zinc/86/76/70/489867670.db2.gz WOPTXGYGBSUEMO-UHFFFAOYSA-N 2 3 353.555 0.580 20 0 FCADHP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001218854947 1224240556 /nfs/dbraw/zinc/24/05/56/1224240556.db2.gz CYHMEGREXVJUFT-QGZVFWFLSA-N 2 3 373.501 0.506 20 0 FCADHP COc1cc2c(cc1NC(=O)[C@@H](N)CCCC[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501788 1224489214 /nfs/dbraw/zinc/48/92/14/1224489214.db2.gz YSFYUILMGQBXFX-KPZWWZAWSA-N 2 3 361.446 0.273 20 0 FCADHP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220221307 1224807387 /nfs/dbraw/zinc/80/73/87/1224807387.db2.gz ZCPBBLYIMSHWHT-QAETUUGQSA-N 2 3 367.538 0.423 20 0 FCADHP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220351217 1224838558 /nfs/dbraw/zinc/83/85/58/1224838558.db2.gz WNLQGJWWHAKVTK-IKGGRYGDSA-N 2 3 362.474 0.628 20 0 FCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157385741 1223075491 /nfs/dbraw/zinc/07/54/91/1223075491.db2.gz BDLWDBZSXMVDAE-IRXDYDNUSA-N 2 3 369.554 0.718 20 0 FCADHP C[NH+]1CCC(CN2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)CC1 ZINC001157837499 1223083087 /nfs/dbraw/zinc/08/30/87/1223083087.db2.gz CSXSRVGKDMJNEN-UHFFFAOYSA-N 2 3 359.522 0.350 20 0 FCADHP CN1CCC(N(c2cncc(N3CC[NH2+]CC3)n2)C2CC[NH2+]CC2)CC1 ZINC001158580974 1223103131 /nfs/dbraw/zinc/10/31/31/1223103131.db2.gz LDHFKKYXKJJPEZ-UHFFFAOYSA-N 2 3 359.522 0.539 20 0 FCADHP O=C([C@H]1C[NH2+]CC12CNC2)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161090335 1223185912 /nfs/dbraw/zinc/18/59/12/1223185912.db2.gz LRJURGZTWCJPNB-MRXNPFEDSA-N 2 3 366.469 0.524 20 0 FCADHP O=C(N1CCC2(CC1)[NH2+]CCc1ccccc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161582650 1223204991 /nfs/dbraw/zinc/20/49/91/1223204991.db2.gz NZYZFICJBLMGNR-YLJYHZDGSA-N 2 3 354.498 0.849 20 0 FCADHP CN1CC[C@H](N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001255424652 1259911895 /nfs/dbraw/zinc/91/18/95/1259911895.db2.gz ZKRVZRFIJXOUTL-UGDFAFBOSA-N 2 3 372.554 0.460 20 0 FCADHP N[C@@H](C(=O)NCCCP(CCC[NH3+])c1ccccc1)C1CC[NH2+]CC1 ZINC001221271842 856534504 /nfs/dbraw/zinc/53/45/04/856534504.db2.gz KTPRBRVHRIXOQR-YDONVPIESA-N 2 3 364.474 0.976 20 0 FCADHP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433150823 489869135 /nfs/dbraw/zinc/86/91/35/489869135.db2.gz GZOUAKQNQHTTHT-QGZVFWFLSA-N 2 3 367.538 0.249 20 0 FCADHP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433150823 489869138 /nfs/dbraw/zinc/86/91/38/489869138.db2.gz GZOUAKQNQHTTHT-QGZVFWFLSA-N 2 3 367.538 0.249 20 0 FCADHP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433150822 489869191 /nfs/dbraw/zinc/86/91/91/489869191.db2.gz GZOUAKQNQHTTHT-KRWDZBQOSA-N 2 3 367.538 0.249 20 0 FCADHP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433150822 489869194 /nfs/dbraw/zinc/86/91/94/489869194.db2.gz GZOUAKQNQHTTHT-KRWDZBQOSA-N 2 3 367.538 0.249 20 0 FCADHP CCOC(=O)C1([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)CC[NH2+]CC1 ZINC000422965234 490506629 /nfs/dbraw/zinc/50/66/29/490506629.db2.gz OBAVRTXHPMJBMM-MRXNPFEDSA-N 2 3 354.539 0.923 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157744716 1223080989 /nfs/dbraw/zinc/08/09/89/1223080989.db2.gz KUYWSITWNPWORY-RLFYNMQTSA-N 2 3 371.501 0.113 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001246069578 1259647253 /nfs/dbraw/zinc/64/72/53/1259647253.db2.gz KSJYHSPATGSPKA-CEXWTWQISA-N 2 3 368.472 0.693 20 0 FCADHP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157844093 849999545 /nfs/dbraw/zinc/99/95/45/849999545.db2.gz UZAKLAGQXWXVGF-VGWMRTNUSA-N 2 3 353.511 0.020 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCCN(C4CC[NH2+]CC4)C3)C[C@@H]2CF)CC1 ZINC001158568223 850059946 /nfs/dbraw/zinc/05/99/46/850059946.db2.gz NOUZBLLGDPTNCR-YQQAZPJKSA-N 2 3 352.498 0.986 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](C4CCNCC4)C3)C[C@@H]2CF)CC1 ZINC001158568223 850059962 /nfs/dbraw/zinc/05/99/62/850059962.db2.gz NOUZBLLGDPTNCR-YQQAZPJKSA-N 2 3 352.498 0.986 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCC[N@H+](C4CCNCC4)C3)C[C@@H]2CF)CC1 ZINC001158568223 850059976 /nfs/dbraw/zinc/05/99/76/850059976.db2.gz NOUZBLLGDPTNCR-YQQAZPJKSA-N 2 3 352.498 0.986 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCCN(C4CC[NH2+]CC4)C3)C[C@@H]2CF)CC1 ZINC001158568222 850060834 /nfs/dbraw/zinc/06/08/34/850060834.db2.gz NOUZBLLGDPTNCR-HLLBOEOZSA-N 2 3 352.498 0.986 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](C4CCNCC4)C3)C[C@@H]2CF)CC1 ZINC001158568222 850060841 /nfs/dbraw/zinc/06/08/41/850060841.db2.gz NOUZBLLGDPTNCR-HLLBOEOZSA-N 2 3 352.498 0.986 20 0 FCADHP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](C4CCNCC4)C3)C[C@@H]2CF)CC1 ZINC001158568222 850060852 /nfs/dbraw/zinc/06/08/52/850060852.db2.gz NOUZBLLGDPTNCR-HLLBOEOZSA-N 2 3 352.498 0.986 20 0 FCADHP CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161447758 850259658 /nfs/dbraw/zinc/25/96/58/850259658.db2.gz ZBXCHEQOGKKNHJ-GJZGRUSLSA-N 2 3 356.511 0.448 20 0 FCADHP CN(C)CCN1CCN(C)C2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001207435119 853812011 /nfs/dbraw/zinc/81/20/11/853812011.db2.gz HKIOEXZMDGJGJV-UHFFFAOYSA-N 2 3 351.539 0.156 20 0 FCADHP N[C@H](C(=O)n1cc(Br)ccc1=NCC[NH3+])C1CC[NH2+]CC1 ZINC001220870873 856350199 /nfs/dbraw/zinc/35/01/99/856350199.db2.gz QHJOYVGZIYRXSV-ZDUSSCGKSA-N 2 3 356.268 0.077 20 0 FCADHP COC(=O)C1C[C@@H]2CC(N[C@H]3CCN(C4CC[NH2+]CC4)C3)C[C@H](C1)[NH2+]2 ZINC001246369566 857576548 /nfs/dbraw/zinc/57/65/48/857576548.db2.gz GALDSOPEVVRZJZ-LHJGCZIBSA-N 2 3 350.507 0.475 20 0 FCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418627340 489712849 /nfs/dbraw/zinc/71/28/49/489712849.db2.gz AVZIZKZUFHASBD-IEBWSBKVSA-N 2 3 369.554 0.813 20 0 FCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418627340 489712853 /nfs/dbraw/zinc/71/28/53/489712853.db2.gz AVZIZKZUFHASBD-IEBWSBKVSA-N 2 3 369.554 0.813 20 0 FCADHP CCOC(=O)C1([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)CC[NH2+]CC1 ZINC000422965233 490506962 /nfs/dbraw/zinc/50/69/62/490506962.db2.gz OBAVRTXHPMJBMM-INIZCTEOSA-N 2 3 354.539 0.923 20 0 FCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566244173 491430011 /nfs/dbraw/zinc/43/00/11/491430011.db2.gz DBNSWYGNEDVJTQ-HAGHYFMRSA-N 2 3 374.529 0.498 20 0 FCADHP N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000566244173 491430014 /nfs/dbraw/zinc/43/00/14/491430014.db2.gz DBNSWYGNEDVJTQ-HAGHYFMRSA-N 2 3 374.529 0.498 20 0 FCADHP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001219954383 1224698509 /nfs/dbraw/zinc/69/85/09/1224698509.db2.gz HTDZPSWAZPWISD-IRXDYDNUSA-N 2 3 367.538 0.424 20 0 FCADHP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@H](N)CCC[NH3+])nc3ccc(C)cc3n12 ZINC001220456380 1224879406 /nfs/dbraw/zinc/87/94/06/1224879406.db2.gz MTPQWMQTIVHYKH-AWEZNQCLSA-N 2 3 369.473 0.857 20 0 FCADHP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220651309 1224990108 /nfs/dbraw/zinc/99/01/08/1224990108.db2.gz JLLYYXQAELKKFG-QGZVFWFLSA-N 2 3 357.502 0.587 20 0 FCADHP CCN1CCN(Cc2ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc2)CC1 ZINC001190857764 1207732084 /nfs/dbraw/zinc/73/20/84/1207732084.db2.gz NZQWCPGVSDPGMS-UHFFFAOYSA-N 2 3 360.506 0.899 20 0 FCADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220898528 1225129018 /nfs/dbraw/zinc/12/90/18/1225129018.db2.gz MUVJTOPZDAYEOO-KRWDZBQOSA-N 2 3 367.538 0.297 20 0 FCADHP N[C@@H](CCC[NH3+])C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236318 1223121501 /nfs/dbraw/zinc/12/15/01/1223121501.db2.gz OHQBZPLBCWBLNV-HNNXBMFYSA-N 2 3 357.462 0.023 20 0 FCADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001159472864 1223127833 /nfs/dbraw/zinc/12/78/33/1223127833.db2.gz ZKWXXCMKGCMESR-ZHALLVOQSA-N 2 3 362.518 0.002 20 0 FCADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001159472864 1223127835 /nfs/dbraw/zinc/12/78/35/1223127835.db2.gz ZKWXXCMKGCMESR-ZHALLVOQSA-N 2 3 362.518 0.002 20 0 FCADHP N[C@H](C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)C1CC[NH2+]CC1 ZINC001160139083 1223146446 /nfs/dbraw/zinc/14/64/46/1223146446.db2.gz ULOOBABXYDULDC-NBMJBFSESA-N 2 3 373.501 0.509 20 0 FCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160710515 1223169102 /nfs/dbraw/zinc/16/91/02/1223169102.db2.gz OJHJNPQAUYHFKP-IBGZPJMESA-N 2 3 354.498 0.845 20 0 FCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160710515 1223169107 /nfs/dbraw/zinc/16/91/07/1223169107.db2.gz OJHJNPQAUYHFKP-IBGZPJMESA-N 2 3 354.498 0.845 20 0 FCADHP CN(C)CCN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001161449813 1223199585 /nfs/dbraw/zinc/19/95/85/1223199585.db2.gz SUIWJFZWJPXQQC-QYZOEREBSA-N 2 3 362.518 0.450 20 0 FCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160630475 850186464 /nfs/dbraw/zinc/18/64/64/850186464.db2.gz ZIKOILIVXFILLB-QGZVFWFLSA-N 3 3 353.555 0.593 20 0 FCADHP CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001160630085 850186818 /nfs/dbraw/zinc/18/68/18/850186818.db2.gz VHXKSRHVHPWFIJ-RDJZCZTQSA-N 2 3 357.543 0.208 20 0 FCADHP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220251954 856029931 /nfs/dbraw/zinc/02/99/31/856029931.db2.gz KLNCSIYXMVUZQY-PMPSAXMXSA-N 2 3 353.511 0.034 20 0 FCADHP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220251954 856029936 /nfs/dbraw/zinc/02/99/36/856029936.db2.gz KLNCSIYXMVUZQY-PMPSAXMXSA-N 2 3 353.511 0.034 20 0 FCADHP [NH3+]C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccc(Br)cc1 ZINC001220608171 856204793 /nfs/dbraw/zinc/20/47/93/856204793.db2.gz RWEXYLBLGDIFDY-IVMMDQJWSA-N 2 3 367.291 0.764 20 0 FCADHP [NH3+]CCCP(CCCNC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001221272188 856534913 /nfs/dbraw/zinc/53/49/13/856534913.db2.gz YKGPSHNFVVEXBA-LFUZPPSTSA-N 2 3 362.458 0.458 20 0 FCADHP COCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC[NH2+]CC1 ZINC001261456929 858553717 /nfs/dbraw/zinc/55/37/17/858553717.db2.gz QITLCGOLVBTDRO-UHFFFAOYSA-N 2 3 352.523 0.677 20 0 FCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363389897 489461489 /nfs/dbraw/zinc/46/14/89/489461489.db2.gz OCKMZEYDEGCGNV-MSOLQXFVSA-N 2 3 369.554 0.765 20 0 FCADHP CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550266236 490649592 /nfs/dbraw/zinc/64/95/92/490649592.db2.gz SGTMSNHELPFORF-UHFFFAOYSA-N 2 3 369.554 0.364 20 0 FCADHP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780383 1223171999 /nfs/dbraw/zinc/17/19/99/1223171999.db2.gz POJYZGFDDUTSOX-LQWHRVPQSA-N 2 3 354.498 0.860 20 0 FCADHP O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780383 1223172003 /nfs/dbraw/zinc/17/20/03/1223172003.db2.gz POJYZGFDDUTSOX-LQWHRVPQSA-N 2 3 354.498 0.860 20 0 FCADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849116983 1245392645 /nfs/dbraw/zinc/39/26/45/1245392645.db2.gz XQQNNKKMAPFPQM-KRWDZBQOSA-N 2 3 366.554 0.381 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001246070494 1259648534 /nfs/dbraw/zinc/64/85/34/1259648534.db2.gz OBAAPAKEEMJIQB-NZSAHSFTSA-N 2 3 368.472 0.693 20 0 FCADHP C[NH+]1CCC(CN2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)CC1 ZINC001280125181 1261011193 /nfs/dbraw/zinc/01/11/93/1261011193.db2.gz GVJPVCNINWQZDI-DLBZAZTESA-N 2 3 363.506 0.225 20 0 FCADHP CN(C)CCN(C(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001161445451 850259371 /nfs/dbraw/zinc/25/93/71/850259371.db2.gz PFJZISHZIUJIBN-LNLFQRSKSA-N 2 3 352.523 0.677 20 0 FCADHP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC2 ZINC001161480311 850262755 /nfs/dbraw/zinc/26/27/55/850262755.db2.gz OVAURTWEAKLOCE-HDMKZQKVSA-N 2 3 354.495 0.236 20 0 FCADHP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001219850677 855845471 /nfs/dbraw/zinc/84/54/71/855845471.db2.gz ZLPODQNWWSINBX-UOVPBQLFSA-N 2 3 350.507 0.191 20 0 FCADHP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001219850677 855845473 /nfs/dbraw/zinc/84/54/73/855845473.db2.gz ZLPODQNWWSINBX-UOVPBQLFSA-N 2 3 350.507 0.191 20 0 FCADHP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001219850677 855845475 /nfs/dbraw/zinc/84/54/75/855845475.db2.gz ZLPODQNWWSINBX-UOVPBQLFSA-N 2 3 350.507 0.191 20 0 FCADHP [NH3+]C[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccc(Br)cc1 ZINC001220607744 856205076 /nfs/dbraw/zinc/20/50/76/856205076.db2.gz OLGONSDWZHHTGZ-OLZOCXBDSA-N 2 3 353.264 0.374 20 0 FCADHP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3nc4c(s3)C[NH2+]CC4)C[C@H]1C2 ZINC001236026372 857435824 /nfs/dbraw/zinc/43/58/24/857435824.db2.gz DHWPXKQASGVXGA-WLHTULFXSA-N 2 3 362.499 0.619 20 0 FCADHP COC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940754 857606871 /nfs/dbraw/zinc/60/68/71/857606871.db2.gz VAUAQBZMLHLHFG-NVXWUHKLSA-N 2 3 350.507 0.430 20 0 FCADHP COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940754 857606874 /nfs/dbraw/zinc/60/68/74/857606874.db2.gz VAUAQBZMLHLHFG-NVXWUHKLSA-N 2 3 350.507 0.430 20 0 FCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077836785 488418754 /nfs/dbraw/zinc/41/87/54/488418754.db2.gz RPSMVXILKVSHGB-KRWDZBQOSA-N 2 3 369.554 0.622 20 0 FCADHP N[C@@H](CCC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723124 1224575934 /nfs/dbraw/zinc/57/59/34/1224575934.db2.gz JDALPUYNAUTVMM-OALUTQOASA-N 3 3 373.545 0.671 20 0 FCADHP N[C@@H](CCC[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723124 1224575940 /nfs/dbraw/zinc/57/59/40/1224575940.db2.gz JDALPUYNAUTVMM-OALUTQOASA-N 3 3 373.545 0.671 20 0 FCADHP CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001221390763 1225304752 /nfs/dbraw/zinc/30/47/52/1225304752.db2.gz HSBOCLYLNNTFEU-UZLBHIALSA-N 2 3 372.517 0.776 20 0 FCADHP C[NH+]1CCC(CN2CCN(c3ccc(N4CC[NH2+]CC4)cn3)CC2)CC1 ZINC001157842452 1223083060 /nfs/dbraw/zinc/08/30/60/1223083060.db2.gz QNACPOCRGAYSDI-UHFFFAOYSA-N 2 3 358.534 0.955 20 0 FCADHP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161049291 1223184284 /nfs/dbraw/zinc/18/42/84/1223184284.db2.gz FLIAAERZLPANHO-ULQDDVLXSA-N 2 3 367.538 0.375 20 0 FCADHP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161049291 1223184286 /nfs/dbraw/zinc/18/42/86/1223184286.db2.gz FLIAAERZLPANHO-ULQDDVLXSA-N 2 3 367.538 0.375 20 0 FCADHP COc1cc(N(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C2CC[NH2+]CC2)ccn1 ZINC001161385491 1223197978 /nfs/dbraw/zinc/19/79/78/1223197978.db2.gz BJYCQMMAABJQNA-AUUYWEPGSA-N 2 3 359.474 0.374 20 0 FCADHP [NH3+]C[C@@]1(O)CCCN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC1 ZINC001205228957 1223318851 /nfs/dbraw/zinc/31/88/51/1223318851.db2.gz KUNHGUGNNCACBP-LJQANCHMSA-N 2 3 358.490 0.872 20 0 FCADHP c1cc2n(c1C[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)CCNC2 ZINC001236401975 1259591286 /nfs/dbraw/zinc/59/12/86/1259591286.db2.gz ZUYVZBURXOUNRS-UHFFFAOYSA-N 2 3 361.534 0.725 20 0 FCADHP c1cc2n(c1C[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)CCNC2 ZINC001236401975 1259591293 /nfs/dbraw/zinc/59/12/93/1259591293.db2.gz ZUYVZBURXOUNRS-UHFFFAOYSA-N 2 3 361.534 0.725 20 0 FCADHP CCOC(=O)C[C@H](NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246006516 1259644288 /nfs/dbraw/zinc/64/42/88/1259644288.db2.gz WUVMSVFFFLOVSV-GBESFXJTSA-N 2 3 363.502 0.828 20 0 FCADHP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC2 ZINC001161480315 850261924 /nfs/dbraw/zinc/26/19/24/850261924.db2.gz OVAURTWEAKLOCE-RLFYNMQTSA-N 2 3 354.495 0.236 20 0 FCADHP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161488053 850263688 /nfs/dbraw/zinc/26/36/88/850263688.db2.gz JTZGTQOWEWDFRU-RLFYNMQTSA-N 2 3 353.511 0.021 20 0 FCADHP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220315701 856061194 /nfs/dbraw/zinc/06/11/94/856061194.db2.gz HFKNJKZMRPNDBW-JTDSTZFVSA-N 2 3 350.507 0.478 20 0 FCADHP CCOC(=O)C1([C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422980172 490509857 /nfs/dbraw/zinc/50/98/57/490509857.db2.gz OSNHDWJAYBPJAK-IRXDYDNUSA-N 2 3 355.523 0.990 20 0 FCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCCC[C@H](N)C1=O ZINC000643773759 492554773 /nfs/dbraw/zinc/55/47/73/492554773.db2.gz VSASCHRNCXZIAV-INIZCTEOSA-N 2 3 355.527 0.058 20 0 FCADHP CC[NH+]1CCC(N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC1 ZINC001169253915 1199058646 /nfs/dbraw/zinc/05/86/46/1199058646.db2.gz NLEWUHNIOORCAZ-UHFFFAOYSA-N 2 3 365.566 0.641 20 0 FCADHP CC(C)(O)[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219724128 1224577101 /nfs/dbraw/zinc/57/71/01/1224577101.db2.gz ZEGVGMRJXNZNKT-QZTJIDSGSA-N 2 3 374.529 0.703 20 0 FCADHP CC(C)(O)[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219724128 1224577112 /nfs/dbraw/zinc/57/71/12/1224577112.db2.gz ZEGVGMRJXNZNKT-QZTJIDSGSA-N 2 3 374.529 0.703 20 0 FCADHP Cc1cnc2c(N(CC[NH3+])C(=O)[C@H](N)CCC[NH3+])nc3ccc(C)cc3n12 ZINC001220456381 1224878940 /nfs/dbraw/zinc/87/89/40/1224878940.db2.gz MTPQWMQTIVHYKH-CQSZACIVSA-N 2 3 369.473 0.857 20 0 FCADHP CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@H]2C ZINC001159633139 1223131732 /nfs/dbraw/zinc/13/17/32/1223131732.db2.gz GMRVPYHXTUKAPT-YOEHRIQHSA-N 2 3 362.522 0.953 20 0 FCADHP CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@H]2C ZINC001159633138 1223131860 /nfs/dbraw/zinc/13/18/60/1223131860.db2.gz GMRVPYHXTUKAPT-WMLDXEAASA-N 2 3 362.522 0.953 20 0 FCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001160050722 1223143459 /nfs/dbraw/zinc/14/34/59/1223143459.db2.gz DPPFTCCOQFURGQ-GOSISDBHSA-N 2 3 369.513 0.705 20 0 FCADHP O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001160050722 1223143462 /nfs/dbraw/zinc/14/34/62/1223143462.db2.gz DPPFTCCOQFURGQ-GOSISDBHSA-N 2 3 369.513 0.705 20 0 FCADHP CN(C)CCN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001161449812 1223199679 /nfs/dbraw/zinc/19/96/79/1223199679.db2.gz SUIWJFZWJPXQQC-FHWLQOOXSA-N 2 3 362.518 0.450 20 0 FCADHP CN(C)C(=O)C1CC[NH+](C2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246746585 1259677167 /nfs/dbraw/zinc/67/71/67/1259677167.db2.gz KWTIKCCEDOHEDU-GOSISDBHSA-N 2 3 363.550 0.345 20 0 FCADHP CN(C)CCN(C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161447712 850259523 /nfs/dbraw/zinc/25/95/23/850259523.db2.gz YMGFTBDEWJXODM-JENIJYKNSA-N 2 3 352.523 0.677 20 0 FCADHP COC(=O)[C@H]1CCC[N@@H+](C2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940753 857606821 /nfs/dbraw/zinc/60/68/21/857606821.db2.gz VAUAQBZMLHLHFG-DOTOQJQBSA-N 2 3 350.507 0.430 20 0 FCADHP COC(=O)[C@H]1CCC[N@H+](C2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246940753 857606824 /nfs/dbraw/zinc/60/68/24/857606824.db2.gz VAUAQBZMLHLHFG-DOTOQJQBSA-N 2 3 350.507 0.430 20 0 FCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418789948 489727332 /nfs/dbraw/zinc/72/73/32/489727332.db2.gz MHMKNKLBSOWJMS-IAGOWNOFSA-N 2 3 355.527 0.422 20 0 FCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418789948 489727337 /nfs/dbraw/zinc/72/73/37/489727337.db2.gz MHMKNKLBSOWJMS-IAGOWNOFSA-N 2 3 355.527 0.422 20 0 FCADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001159481447 1223127821 /nfs/dbraw/zinc/12/78/21/1223127821.db2.gz PRXUJNGYGDFPRI-WSTZPKSXSA-N 2 3 364.534 0.520 20 0 FCADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001159481447 1223127822 /nfs/dbraw/zinc/12/78/22/1223127822.db2.gz PRXUJNGYGDFPRI-WSTZPKSXSA-N 2 3 364.534 0.520 20 0 FCADHP CN[C@@H](COCc1ccccc1)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161446566 1223199813 /nfs/dbraw/zinc/19/98/13/1223199813.db2.gz SMUNDDHOQMMDHB-MOPGFXCFSA-N 2 3 362.518 0.933 20 0 FCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849116984 1245392835 /nfs/dbraw/zinc/39/28/35/1245392835.db2.gz XQQNNKKMAPFPQM-QGZVFWFLSA-N 2 3 366.554 0.381 20 0 FCADHP CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679933 1259659007 /nfs/dbraw/zinc/65/90/07/1259659007.db2.gz RDKCEXWIVPOJMB-SJLPKXTDSA-N 2 3 364.534 0.820 20 0 FCADHP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679933 1259659014 /nfs/dbraw/zinc/65/90/14/1259659014.db2.gz RDKCEXWIVPOJMB-SJLPKXTDSA-N 2 3 364.534 0.820 20 0 FCADHP CN1CCC[C@@H](C[N@@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)C1 ZINC001279501459 1260880668 /nfs/dbraw/zinc/88/06/68/1260880668.db2.gz GKSHZLKOEXGGEB-UYAOXDASSA-N 2 3 365.566 0.546 20 0 FCADHP CN1CCC[C@@H](C[N@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)C1 ZINC001279501459 1260880671 /nfs/dbraw/zinc/88/06/71/1260880671.db2.gz GKSHZLKOEXGGEB-UYAOXDASSA-N 2 3 365.566 0.546 20 0 FCADHP CN1CCC[C@@H](C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)C1 ZINC001275880145 861246225 /nfs/dbraw/zinc/24/62/25/861246225.db2.gz RYMGHFILRMLHPF-IEBWSBKVSA-N 2 3 352.523 0.441 20 0 FCADHP CN1CCC[C@@H](C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)C1 ZINC001275880145 861246236 /nfs/dbraw/zinc/24/62/36/861246236.db2.gz RYMGHFILRMLHPF-IEBWSBKVSA-N 2 3 352.523 0.441 20 0 FCADHP CN(C)CCN(C(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001161445456 850259956 /nfs/dbraw/zinc/25/99/56/850259956.db2.gz PFJZISHZIUJIBN-YQVWRLOYSA-N 2 3 352.523 0.677 20 0 FCADHP CN(C)CCN(C(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC001161449572 850260294 /nfs/dbraw/zinc/26/02/94/850260294.db2.gz OLVSSKBFHAYYEO-MSOLQXFVSA-N 2 3 351.539 0.203 20 0 FCADHP CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103496 855962157 /nfs/dbraw/zinc/96/21/57/855962157.db2.gz UINYOYJVMPCXLB-AVGNSLFASA-N 2 3 374.555 0.059 20 0 FCADHP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220253732 856030815 /nfs/dbraw/zinc/03/08/15/856030815.db2.gz ATWKOGLHHSBUSQ-GJZGRUSLSA-N 2 3 355.527 0.138 20 0 FCADHP O=C(NCCC1(O)C[NH2+]C1)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219697741 1224563720 /nfs/dbraw/zinc/56/37/20/1224563720.db2.gz XKCIRWWWOWDANH-WIYYLYMNSA-N 2 3 372.513 0.329 20 0 FCADHP Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[NH2+]CC13CNC3)CC21CC[NH2+]CC1 ZINC001219754765 1224597151 /nfs/dbraw/zinc/59/71/51/1224597151.db2.gz YKCRTJJKGJAGHD-ZWKOTPCHSA-N 2 3 354.498 0.986 20 0 FCADHP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219981229 1224712746 /nfs/dbraw/zinc/71/27/46/1224712746.db2.gz ZXDHCBVOLBBVHC-ULQDDVLXSA-N 2 3 367.538 0.282 20 0 FCADHP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219981229 1224712750 /nfs/dbraw/zinc/71/27/50/1224712750.db2.gz ZXDHCBVOLBBVHC-ULQDDVLXSA-N 2 3 367.538 0.282 20 0 FCADHP C[NH+](C)CC1(O)CCN(C/C=C\C[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931480225 1211757833 /nfs/dbraw/zinc/75/78/33/1211757833.db2.gz POZNMILVWGDFOK-WAYWQWQTSA-N 3 3 368.566 0.320 20 0 FCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159132624 1223118663 /nfs/dbraw/zinc/11/86/63/1223118663.db2.gz BVKIZIXXYXVDET-IRXDYDNUSA-N 2 3 364.538 0.899 20 0 FCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001160050725 1223143388 /nfs/dbraw/zinc/14/33/88/1223143388.db2.gz DPPFTCCOQFURGQ-SFHVURJKSA-N 2 3 369.513 0.705 20 0 FCADHP O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001160050725 1223143390 /nfs/dbraw/zinc/14/33/90/1223143390.db2.gz DPPFTCCOQFURGQ-SFHVURJKSA-N 2 3 369.513 0.705 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245986718 1259644139 /nfs/dbraw/zinc/64/41/39/1259644139.db2.gz QBPLTQWYFBMQNQ-FGTMMUONSA-N 2 3 368.472 0.659 20 0 FCADHP OC1(C[N@@H+]2CCCn3cnc(CNC4CCOCC4)c3C2)CC[NH2+]CC1 ZINC001246044695 1259646949 /nfs/dbraw/zinc/64/69/49/1259646949.db2.gz PRIPUALDGXGQIN-UHFFFAOYSA-N 2 3 363.506 0.472 20 0 FCADHP OC1(C[N@H+]2CCCn3cnc(CNC4CCOCC4)c3C2)CC[NH2+]CC1 ZINC001246044695 1259646956 /nfs/dbraw/zinc/64/69/56/1259646956.db2.gz PRIPUALDGXGQIN-UHFFFAOYSA-N 2 3 363.506 0.472 20 0 FCADHP CN1CCC[C@@H](C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)C1 ZINC001275880149 861247899 /nfs/dbraw/zinc/24/78/99/861247899.db2.gz RYMGHFILRMLHPF-MJGOQNOKSA-N 2 3 352.523 0.441 20 0 FCADHP CN1CCC[C@@H](C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)C1 ZINC001275880149 861247915 /nfs/dbraw/zinc/24/79/15/861247915.db2.gz RYMGHFILRMLHPF-MJGOQNOKSA-N 2 3 352.523 0.441 20 0 FCADHP N[C@@H](CSCC[NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158249376 850028292 /nfs/dbraw/zinc/02/82/92/850028292.db2.gz LYMHHEKKRRVOIQ-WDEREUQCSA-N 2 3 354.442 0.681 20 0 FCADHP N[C@@H](CCC[NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158890796 850083616 /nfs/dbraw/zinc/08/36/16/850083616.db2.gz NFZYPZUSPDKBFU-IFIJOSMWSA-N 2 3 351.426 0.141 20 0 FCADHP CC(C)(C)N(C(=O)[C@H](N)C1CC[NH2+]CC1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160873 850098314 /nfs/dbraw/zinc/09/83/14/850098314.db2.gz UIDIAGCQVSFRFP-JKSUJKDBSA-N 2 3 352.523 0.852 20 0 FCADHP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159480994 850117256 /nfs/dbraw/zinc/11/72/56/850117256.db2.gz GUGLCYKRIXUUKI-ZIFCJYIRSA-N 2 3 352.523 0.650 20 0 FCADHP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159480994 850117265 /nfs/dbraw/zinc/11/72/65/850117265.db2.gz GUGLCYKRIXUUKI-ZIFCJYIRSA-N 2 3 352.523 0.650 20 0 FCADHP CN(C)CCN(C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161444063 850260266 /nfs/dbraw/zinc/26/02/66/850260266.db2.gz BAWIIDPADPACBT-KZNAEPCWSA-N 2 3 351.539 0.203 20 0 FCADHP CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418789950 489727677 /nfs/dbraw/zinc/72/76/77/489727677.db2.gz MHMKNKLBSOWJMS-SJORKVTESA-N 2 3 355.527 0.422 20 0 FCADHP CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418789950 489727679 /nfs/dbraw/zinc/72/76/79/489727679.db2.gz MHMKNKLBSOWJMS-SJORKVTESA-N 2 3 355.527 0.422 20 0 FCADHP CC[NH+](CC)CCCNC(=O)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000515846151 490840452 /nfs/dbraw/zinc/84/04/52/490840452.db2.gz HPOLLRWAINWDPS-UHFFFAOYSA-N 2 3 353.555 0.452 20 0 FCADHP CN1CCN(C[C@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740724 675965807 /nfs/dbraw/zinc/96/58/07/675965807.db2.gz KJFKOOVYJJJMHD-MSOLQXFVSA-N 2 3 352.523 0.093 20 0 FCADHP C[NH+]1CCN(C[C@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740724 675965809 /nfs/dbraw/zinc/96/58/09/675965809.db2.gz KJFKOOVYJJJMHD-MSOLQXFVSA-N 2 3 352.523 0.093 20 0 FCADHP N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723123 1224576049 /nfs/dbraw/zinc/57/60/49/1224576049.db2.gz JDALPUYNAUTVMM-MOPGFXCFSA-N 3 3 373.545 0.671 20 0 FCADHP N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723123 1224576055 /nfs/dbraw/zinc/57/60/55/1224576055.db2.gz JDALPUYNAUTVMM-MOPGFXCFSA-N 3 3 373.545 0.671 20 0 FCADHP CCOC(=O)[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)CCC12C[NH2+]C2 ZINC001237435544 1259598049 /nfs/dbraw/zinc/59/80/49/1259598049.db2.gz IPHBELSGXLNJPW-QGZVFWFLSA-N 2 3 373.501 0.466 20 0 FCADHP CCOC(=O)[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)CCC12C[NH2+]C2 ZINC001237435543 1259598187 /nfs/dbraw/zinc/59/81/87/1259598187.db2.gz IPHBELSGXLNJPW-KRWDZBQOSA-N 2 3 373.501 0.466 20 0 FCADHP CNC(=O)[C@H](CCCC[NH3+])[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001246018641 1259643832 /nfs/dbraw/zinc/64/38/32/1259643832.db2.gz HITFASKKOPWGNA-SFHVURJKSA-N 2 3 362.518 0.847 20 0 FCADHP COC(=O)C1(CNC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC001245992116 1259644446 /nfs/dbraw/zinc/64/44/46/1259644446.db2.gz LCSHEAPULLXDME-JKSUJKDBSA-N 2 3 371.428 0.328 20 0 FCADHP CN1CC[C@H](N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001255424651 1259911574 /nfs/dbraw/zinc/91/15/74/1259911574.db2.gz ZKRVZRFIJXOUTL-QQCJEOGWSA-N 2 3 372.554 0.460 20 0 FCADHP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(C4CC[NH+](C)CC4)CC3)[C@@H]2C1 ZINC001280070922 1260989383 /nfs/dbraw/zinc/98/93/83/1260989383.db2.gz FVFOHVOOFVWFBT-QZTJIDSGSA-N 2 3 363.550 0.155 20 0 FCADHP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(C4CC[NH+](C)CC4)CC3)[C@@H]2C1 ZINC001280070922 1260989387 /nfs/dbraw/zinc/98/93/87/1260989387.db2.gz FVFOHVOOFVWFBT-QZTJIDSGSA-N 2 3 363.550 0.155 20 0 FCADHP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001157449351 849974371 /nfs/dbraw/zinc/97/43/71/849974371.db2.gz YTVNWJOKKGFDIL-HNNXBMFYSA-N 2 3 356.511 0.755 20 0 FCADHP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001220315699 856061496 /nfs/dbraw/zinc/06/14/96/856061496.db2.gz HFKNJKZMRPNDBW-BXWFABGCSA-N 2 3 350.507 0.478 20 0 FCADHP [NH3+]C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccc(Br)cc1 ZINC001220608178 856204779 /nfs/dbraw/zinc/20/47/79/856204779.db2.gz RWEXYLBLGDIFDY-XNRPHZJLSA-N 2 3 367.291 0.764 20 0 FCADHP [NH3+]CCCP(CCCNC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccccc1 ZINC001221272189 856534824 /nfs/dbraw/zinc/53/48/24/856534824.db2.gz YKGPSHNFVVEXBA-SMFUYQKNSA-N 2 3 362.458 0.458 20 0 FCADHP CN(C)Cc1cc(F)cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236312464 857439781 /nfs/dbraw/zinc/43/97/81/857439781.db2.gz UBPQGAVOWWCCHE-UHFFFAOYSA-N 2 3 353.486 0.503 20 0 FCADHP CN(C)CCN(CC[NH+](C)C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000536225302 490562649 /nfs/dbraw/zinc/56/26/49/490562649.db2.gz JONKEZCUTCNCMD-UHFFFAOYSA-N 2 3 356.559 0.147 20 0 FCADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277171 1223093685 /nfs/dbraw/zinc/09/36/85/1223093685.db2.gz LNXBGYYRUWTUAF-HNNXBMFYSA-N 2 3 363.510 0.195 20 0 FCADHP [NH3+][C@H](C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001159665262 1223132706 /nfs/dbraw/zinc/13/27/06/1223132706.db2.gz INWQNXWPRUMQAM-QRVBRYPASA-N 2 3 373.501 0.210 20 0 FCADHP [NH3+][C@H](C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1)C1CC[NH2+]CC1 ZINC001159665261 1223132892 /nfs/dbraw/zinc/13/28/92/1223132892.db2.gz INWQNXWPRUMQAM-OTWHNJEPSA-N 2 3 373.501 0.210 20 0 FCADHP CN[C@@H](COCc1ccccc1)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161446567 1223199650 /nfs/dbraw/zinc/19/96/50/1223199650.db2.gz SMUNDDHOQMMDHB-OALUTQOASA-N 2 3 362.518 0.933 20 0 FCADHP [NH3+][C@@H]1CCN(C(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C[C@H]1O ZINC001160655467 1259386477 /nfs/dbraw/zinc/38/64/77/1259386477.db2.gz MYENDQGGFYLDBY-ANTGDGSKSA-N 2 3 372.513 0.409 20 0 FCADHP CN1CCC[C@H](C[N@@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)C1 ZINC001279501457 1260881632 /nfs/dbraw/zinc/88/16/32/1260881632.db2.gz GKSHZLKOEXGGEB-ICSRJNTNSA-N 2 3 365.566 0.546 20 0 FCADHP CN1CCC[C@H](C[N@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)C1 ZINC001279501457 1260881640 /nfs/dbraw/zinc/88/16/40/1260881640.db2.gz GKSHZLKOEXGGEB-ICSRJNTNSA-N 2 3 365.566 0.546 20 0 FCADHP CC(C)(C)N(C(=O)[C@@H](N)CSCC[NH3+])[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160860 850098395 /nfs/dbraw/zinc/09/83/95/850098395.db2.gz UESZIDWAPKXKPG-KGLIPLIRSA-N 2 3 358.552 0.544 20 0 FCADHP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161488052 850263924 /nfs/dbraw/zinc/26/39/24/850263924.db2.gz JTZGTQOWEWDFRU-MPGHIAIKSA-N 2 3 353.511 0.021 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001245983448 857563243 /nfs/dbraw/zinc/56/32/43/857563243.db2.gz GQQUJTBFFAKUDB-XFKAJCMBSA-N 2 3 354.445 0.079 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001245983448 857563251 /nfs/dbraw/zinc/56/32/51/857563251.db2.gz GQQUJTBFFAKUDB-XFKAJCMBSA-N 2 3 354.445 0.079 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024661 857564088 /nfs/dbraw/zinc/56/40/88/857564088.db2.gz IKZHXPLKACENKL-BVPBIZIASA-N 2 3 355.429 0.506 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024661 857564098 /nfs/dbraw/zinc/56/40/98/857564098.db2.gz IKZHXPLKACENKL-BVPBIZIASA-N 2 3 355.429 0.506 20 0 FCADHP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363389898 489461580 /nfs/dbraw/zinc/46/15/80/489461580.db2.gz OCKMZEYDEGCGNV-QZTJIDSGSA-N 2 3 369.554 0.765 20 0 FCADHP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000552364832 1193926327 /nfs/dbraw/zinc/92/63/27/1193926327.db2.gz FBCIOUCAHKUIMB-KRWDZBQOSA-N 2 3 369.554 0.175 20 0 FCADHP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000552364832 1193926330 /nfs/dbraw/zinc/92/63/30/1193926330.db2.gz FBCIOUCAHKUIMB-KRWDZBQOSA-N 2 3 369.554 0.175 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220395189 1224856662 /nfs/dbraw/zinc/85/66/62/1224856662.db2.gz ZXUYFCVXZVUNCG-HOTGVXAUSA-N 2 3 365.522 0.036 20 0 FCADHP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220751785 1225054537 /nfs/dbraw/zinc/05/45/37/1225054537.db2.gz XPSRELBSXMBKSN-ODMWJAAVSA-N 2 3 374.488 0.899 20 0 FCADHP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnccc1N1CCN(C)CC1 ZINC001199361259 1208343160 /nfs/dbraw/zinc/34/31/60/1208343160.db2.gz TZIQPCGGADLSNQ-UHFFFAOYSA-N 2 3 361.494 0.511 20 0 FCADHP COc1cccc(C2([NH3+])CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC2)c1 ZINC001221091994 1225219130 /nfs/dbraw/zinc/21/91/30/1225219130.db2.gz KDXPDGJOOVKRNX-VQIMIIECSA-N 2 3 358.486 0.671 20 0 FCADHP N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157744701 1223081053 /nfs/dbraw/zinc/08/10/53/1223081053.db2.gz KUYWSITWNPWORY-MPGHIAIKSA-N 2 3 371.501 0.113 20 0 FCADHP C[NH+]1CCC(CN2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)CC1 ZINC001157836830 1223082996 /nfs/dbraw/zinc/08/29/96/1223082996.db2.gz NYELIDDOZBLMDP-UHFFFAOYSA-N 2 3 359.522 0.350 20 0 FCADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001159134447 1223118709 /nfs/dbraw/zinc/11/87/09/1223118709.db2.gz NXVHYMMIYBJBNA-JKSUJKDBSA-N 2 3 360.506 0.277 20 0 FCADHP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001159134447 1223118711 /nfs/dbraw/zinc/11/87/11/1223118711.db2.gz NXVHYMMIYBJBNA-JKSUJKDBSA-N 2 3 360.506 0.277 20 0 FCADHP [NH3+][C@H](C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001159665263 1223133133 /nfs/dbraw/zinc/13/31/33/1223133133.db2.gz INWQNXWPRUMQAM-QYZOEREBSA-N 2 3 373.501 0.210 20 0 FCADHP N[C@@H](C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001160589544 1223166016 /nfs/dbraw/zinc/16/60/16/1223166016.db2.gz YAYIWZHVLTYXNJ-MRXNPFEDSA-N 2 3 357.458 0.170 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001246070615 1259647795 /nfs/dbraw/zinc/64/77/95/1259647795.db2.gz OBAAPAKEEMJIQB-YTQUADARSA-N 2 3 368.472 0.693 20 0 FCADHP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157844092 849999089 /nfs/dbraw/zinc/99/90/89/849999089.db2.gz UZAKLAGQXWXVGF-UGUYLWEFSA-N 2 3 353.511 0.020 20 0 FCADHP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])[C@H]1CCCC[C@H]1[NH3+] ZINC001161062453 850227185 /nfs/dbraw/zinc/22/71/85/850227185.db2.gz KDBNIWSZSILRFF-UGUYLWEFSA-N 2 3 353.511 0.162 20 0 FCADHP CN(C)CCN(C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001161444061 850259847 /nfs/dbraw/zinc/25/98/47/850259847.db2.gz BAWIIDPADPACBT-FGTMMUONSA-N 2 3 351.539 0.203 20 0 FCADHP [NH3+]C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccc(Br)cc1 ZINC001220607745 856204078 /nfs/dbraw/zinc/20/40/78/856204078.db2.gz OLGONSDWZHHTGZ-QWHCGFSZSA-N 2 3 353.264 0.374 20 0 FCADHP N[C@H](C(=O)NCCCP(CCC[NH3+])c1ccccc1)C1CC[NH2+]CC1 ZINC001221271841 856534954 /nfs/dbraw/zinc/53/49/54/856534954.db2.gz KTPRBRVHRIXOQR-CPFIQGLUSA-N 2 3 364.474 0.976 20 0 FCADHP CC(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(C)(C)C[NH3+] ZINC001221394775 856557783 /nfs/dbraw/zinc/55/77/83/856557783.db2.gz HFDOXWDXUVVOAZ-GJZGRUSLSA-N 2 3 355.527 0.408 20 0 FCADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245999194 857562958 /nfs/dbraw/zinc/56/29/58/857562958.db2.gz ZKMREHXRBWEOBD-FJIDUMEYSA-N 2 3 355.429 0.696 20 0 FCADHP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001245999194 857562970 /nfs/dbraw/zinc/56/29/70/857562970.db2.gz ZKMREHXRBWEOBD-FJIDUMEYSA-N 2 3 355.429 0.696 20 0 FCADHP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)CC[NH2+]CC1 ZINC000422982405 490510378 /nfs/dbraw/zinc/51/03/78/490510378.db2.gz WOZNAUWZTKCVKG-QGZVFWFLSA-N 2 3 354.539 0.925 20 0 FCADHP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348667 492913640 /nfs/dbraw/zinc/91/36/40/492913640.db2.gz MLLMFUFCMXTQDT-LZLYRXPVSA-N 2 3 352.523 0.805 20 0 FCADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849103094 671317952 /nfs/dbraw/zinc/31/79/52/671317952.db2.gz GYXABMRVQKUPKK-MRXNPFEDSA-N 2 3 352.527 0.577 20 0 FCADHP COc1cc2c(cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504565 1224491467 /nfs/dbraw/zinc/49/14/67/1224491467.db2.gz VARBUHCOLCGNBO-QFBILLFUSA-N 2 3 373.457 0.144 20 0 FCADHP CN1CCC(N(c2ccc(N3CC[NH2+]CC3)nn2)C2CC[NH2+]CC2)CC1 ZINC001158575653 1223103321 /nfs/dbraw/zinc/10/33/21/1223103321.db2.gz PPKNJYKVONWLOI-UHFFFAOYSA-N 2 3 359.522 0.539 20 0 FCADHP Cc1ccc(N(C(=O)[C@H](N)CCC[NH3+])[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054072 1223143342 /nfs/dbraw/zinc/14/33/42/1223143342.db2.gz WVMYCACVYOPSIL-IIDMSEBBSA-N 2 3 362.478 0.095 20 0 FCADHP CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679930 1259659228 /nfs/dbraw/zinc/65/92/28/1259659228.db2.gz RDKCEXWIVPOJMB-AEFFLSMTSA-N 2 3 364.534 0.820 20 0 FCADHP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1 ZINC001246679930 1259659236 /nfs/dbraw/zinc/65/92/36/1259659236.db2.gz RDKCEXWIVPOJMB-AEFFLSMTSA-N 2 3 364.534 0.820 20 0 FCADHP